#DEFINITION	Reference Metabolome for Punica granatum
#IDENTTFIER	RefMeta-Punica granatum.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Punica granatum
#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 Punica granatum was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.57
Annotation	Unknow
Peak:m/z	Relative Intensity
71.33047	100.0
71.47117	52.9
85.77209	56.5
104.40716	54.2
111.38153	59.2
131.56424	53.2
198.64877	56.4
218.01230	69.0
246.02550	62.4
581.42651	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	997.6753
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22641	3.9
69.23061	0.8
77.53928	0.5
98.19837	0.9
314.79172	0.6
343.54013	0.5
409.31238	1.5
487.34317	95.2
488.34811	9.0
997.67523	100.0
998.67822	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	997.6765
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20982	0.6
69.21387	2.7
72.85590	0.3
78.95932	0.7
79.95762	1.1
86.44790	0.3
96.96027	11.7
96.96962	0.8
168.84810	0.4
293.59128	0.4
300.99945	0.6
315.12180	0.3
330.05093	0.4
362.42398	0.4
423.32983	0.4
440.32718	0.7
469.33160	1.2
485.32886	1.2
486.33008	2.3
487.34348	87.2
488.34625	9.5
488.41626	0.5
489.35092	1.1
509.29584	1.0
997.67523	100.0
998.67798	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	993.6452
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05015	1.1
86.07232	1.0
92.92794	2.1
96.95954	1.0
105.75736	0.9
113.46922	0.9
176.68282	1.1
336.30353	1.2
391.29926	5.2
439.32172	9.0
455.31610	1.6
485.32773	100.0
486.33060	12.4
487.34000	6.1
488.34390	2.7
489.35370	2.3
993.64386	96.7
994.64832	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	997.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30472	2.9
70.30846	1.7
81.46413	0.9
95.01395	3.0
105.03436	1.6
117.03465	5.5
119.05032	1.0
121.02953	2.1
123.00869	3.2
124.01751	0.9
125.02450	3.5
131.01408	2.2
131.05057	1.2
132.02225	2.1
133.02921	4.6
137.02440	1.4
143.01375	2.4
144.89912	0.9
145.02972	10.4
147.00861	2.4
147.04544	3.6
148.01672	1.6
149.02406	1.8
151.00401	1.4
157.02914	1.4
159.04448	2.0
160.01643	3.3
161.02457	11.1
161.99539	1.7
163.00400	5.0
163.03970	5.2
165.01962	1.4
169.01393	1.8
171.00899	2.9
172.01631	3.2
173.02455	11.5
175.00403	1.3
175.03983	2.6
176.01141	3.4
177.01910	2.6
179.03525	1.2
185.02452	2.6
187.00352	5.6
187.04024	2.1
188.01144	3.0
189.01935	15.4
190.02707	2.7
190.99911	2.4
191.03510	6.4
193.01398	1.2
199.00401	2.9
200.01131	3.8
201.01959	10.4
202.99799	1.0
203.03430	3.0
205.01418	1.1
207.03004	1.0
213.02055	1.1
213.99089	2.9
214.99840	7.5
216.00606	7.3
217.01431	19.3
218.02161	1.7
219.02921	6.6
226.99821	3.4
228.00600	1.6
229.01442	12.1
230.02139	1.2
230.99271	1.2
231.03011	2.6
232.00073	3.4
233.00854	1.4
241.98601	1.3
242.99338	6.3
243.03044	1.3
244.00145	6.0
245.00909	25.1
246.01445	2.2
247.02394	8.5
249.04056	3.3
254.99416	2.3
256.13672	0.9
257.00906	5.3
258.01694	1.8
259.02466	2.2
259.99661	9.4
261.00385	7.1
270.98856	8.6
271.99557	3.2
273.00458	27.8
274.01215	5.3
275.01965	18.2
275.04681	1.5
276.02463	1.0
283.99631	2.5
285.00473	1.1
285.03561	0.9
285.97559	14.0
286.98248	2.0
287.01727	1.1
287.99136	10.5
288.99902	9.1
290.00357	1.1
291.01410	3.0
298.98392	8.9
299.01624	1.7
299.99124	15.1
300.99921	100.0
302.00208	4.7
303.01474	2.4
312.99982	1.5
315.01498	1.5
316.99460	2.4
331.00983	1.1
343.00983	2.8
415.02664	1.1
433.04181	4.1
445.04099	2.0
463.05148	2.9
585.05573	5.8
656.33539	1.0
673.05853	1.2
689.03741	1.5
715.01898	3.7
717.03699	28.4
718.04272	2.4
719.05438	2.0
721.06531	1.3
733.03229	6.0
735.04742	12.4
736.05731	1.6
737.06976	1.4
739.08374	1.5
751.04944	2.0
875.05304	2.1
885.04517	11.9
886.05164	1.8
903.05347	7.6
904.05084	1.7
947.04449	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	987.6575
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01405	0.1
87.04535	0.3
96.96022	0.6
98.20656	0.4
104.60169	0.2
107.76612	0.2
125.89573	0.1
187.67940	0.1
278.65695	0.2
300.99924	0.6
325.25586	0.2
335.72375	0.2
347.74911	0.2
377.28690	0.2
407.29449	0.6
409.27512	0.3
428.07791	0.2
439.32050	0.8
453.30161	0.3
455.31744	1.0
457.33408	0.6
471.31131	0.7
483.31195	0.4
485.32800	1.6
499.30582	0.4
500.30988	0.6
501.32269	100.0
502.32635	7.8
728.13739	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	989.6736
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26197	1.4
73.02962	0.4
76.25195	0.1
96.96030	0.7
99.04456	0.2
109.38364	0.2
154.28914	0.2
161.36258	0.2
299.98724	0.2
301.00000	0.5
320.25601	0.2
326.97867	0.6
333.66803	0.2
342.00403	0.2
357.02585	0.5
377.28360	0.3
381.64099	0.2
391.30161	0.2
407.29510	0.4
473.32437	0.2
485.32748	100.0
486.33136	9.5
487.33704	0.2
503.33823	45.9
504.34143	4.0
504.41125	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02970	3.4
71.01400	1.5
71.56837	2.1
72.04545	4.7
73.92167	1.2
74.02477	16.4
88.98825	2.7
96.99892	3.2
97.04048	3.6
98.02480	1.8
99.05643	7.2
110.00686	1.6
123.01414	1.3
123.05650	2.8
125.03615	1.7
138.03911	1.3
141.06706	19.9
143.04594	3.3
181.02963	1.2
181.32497	1.2
185.05643	5.4
194.09990	1.8
201.85461	1.3
222.09526	4.4
240.10643	7.7
266.12271	5.9
277.21661	8.5
308.13226	13.0
405.63040	1.5
408.19730	1.8
418.38040	1.3
605.00122	1.3
708.91974	1.7
755.55469	1.3
948.48688	5.8
960.57111	1.8
974.46533	2.6
992.47961	100.0
993.48145	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	987.5461
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	17.6
71.26496	14.9
71.36381	7.2
74.72278	7.3
78.80306	8.1
81.10465	8.4
81.79736	7.6
84.54636	7.2
89.02460	7.8
101.02470	8.5
145.19577	8.6
185.72420	7.4
197.27399	10.0
221.98624	10.0
277.21640	40.5
293.21213	100.0
364.56860	8.6
379.12704	9.8
397.13574	57.0
415.14566	17.4
675.37152	9.9
987.55194	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.663
Annotation	Unknow
Peak:m/z	Relative Intensity
70.04528	0.9
70.04942	0.4
71.05020	0.3
78.95923	0.3
88.98804	0.3
89.74847	0.3
96.96048	1.5
105.39854	0.2
116.92883	0.4
122.52393	0.3
253.09328	0.4
277.21704	1.6
300.99878	0.4
343.34033	0.2
397.13571	0.3
407.33008	0.4
419.81296	0.3
429.05444	0.3
435.01901	0.3
469.33554	1.4
470.33835	1.9
471.34848	100.0
472.35199	8.1
520.69324	0.3
619.35828	0.4
633.38324	0.4
909.07526	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	987.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.5
71.56895	0.5
71.58955	0.4
95.01404	0.9
105.25083	0.4
109.02934	0.6
110.29930	0.4
111.00909	0.5
117.03468	0.7
121.02920	0.5
123.00898	1.6
124.01629	0.6
125.02470	3.2
131.05084	0.5
133.02919	0.8
137.02464	1.6
145.02943	3.0
147.04544	1.1
149.02431	0.9
150.03091	0.6
151.03958	0.7
157.02942	0.6
158.03680	0.5
159.04512	0.9
160.04033	0.8
161.02457	1.6
163.04012	1.4
165.01930	0.6
169.01462	2.1
173.02475	2.9
175.04010	1.8
177.01961	0.6
179.03575	0.6
185.02475	3.6
185.05991	0.5
187.04018	0.6
189.01988	2.1
190.02759	0.7
191.03555	1.3
193.01401	0.7
194.99428	0.5
201.01939	3.6
202.02585	0.7
203.03523	3.5
213.01987	0.9
217.01414	2.4
218.02097	0.5
219.02954	1.1
229.01445	7.7
230.02068	0.5
231.03021	2.5
241.05061	0.4
245.00920	7.5
246.01508	0.6
247.02478	1.3
248.03290	0.5
249.04041	1.8
254.99454	0.5
255.02878	0.5
257.00946	6.2
258.01559	2.4
259.02551	0.7
273.00449	7.3
273.03540	0.8
274.01141	3.5
275.01996	17.0
275.05063	1.0
276.02365	0.5
283.99643	3.4
285.03976	0.5
287.01929	1.5
288.02798	0.6
288.99808	0.5
299.99136	4.7
300.99915	100.0
302.00278	5.0
329.02960	0.9
361.09085	0.5
401.05200	0.5
419.06488	0.6
421.11438	1.2
463.05237	7.6
464.05161	0.5
539.21191	0.7
609.16956	0.5
632.06458	1.3
987.20538	30.3
988.20740	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	985.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.82258	0.5
72.07397	0.5
88.02010	0.5
91.01936	0.6
93.03469	0.8
95.01391	1.0
98.12592	0.5
99.00919	0.8
107.01425	0.5
107.05141	0.5
109.02979	1.2
113.51689	0.7
117.03496	0.7
119.05013	1.1
123.00906	2.6
124.01663	0.6
125.02476	5.1
126.67101	0.5
129.03494	0.6
131.05023	0.7
133.02962	0.9
133.06624	0.7
135.04518	0.6
137.02457	2.0
145.02957	1.9
147.00960	0.6
147.04543	2.8
149.02473	1.6
149.06218	0.6
151.00337	0.6
157.02966	1.4
159.04521	2.4
160.01706	0.6
161.02463	1.7
161.06070	1.7
162.03224	0.8
163.00322	0.8
163.04019	3.7
164.01169	1.7
165.01942	1.3
169.01418	3.6
173.02408	2.7
175.04044	4.8
177.02022	3.0
177.05606	2.3
179.03455	1.1
185.02475	2.8
187.03978	2.2
189.01968	2.8
190.02762	1.6
191.03511	6.0
192.00644	1.2
193.01402	2.2
199.00543	0.5
200.01013	0.6
201.01976	4.4
202.02455	1.0
203.01639	0.6
203.03528	11.1
205.01407	0.6
205.05106	8.1
207.02991	1.8
213.01939	1.4
216.00523	0.7
217.01445	1.9
218.99399	1.2
219.03078	2.8
221.04622	1.0
226.99738	0.8
229.01454	7.0
230.02005	0.8
231.02975	10.6
232.03360	0.6
233.00989	0.6
242.99631	0.6
244.00079	0.7
245.00937	3.6
247.02440	4.5
248.03236	1.2
249.04027	4.4
251.01939	5.6
257.00958	4.6
258.01685	2.1
270.98734	0.8
273.00534	3.1
274.01056	1.3
275.01993	18.3
276.02341	1.0
283.99637	2.8
291.01584	1.5
293.03165	1.3
298.98367	1.4
299.99112	13.5
300.99924	100.0
302.00256	5.9
305.81613	0.7
307.04749	1.3
313.05524	0.7
319.01044	0.7
325.05634	1.8
337.02176	1.3
351.03522	6.9
371.23633	0.6
427.77570	0.6
437.07327	1.0
447.05664	9.5
463.05438	1.1
481.06256	7.9
513.09033	2.7
537.19775	7.8
538.19934	1.4
539.20593	1.0
633.07361	10.3
634.07727	0.6
651.08716	1.3
815.10168	1.1
909.11475	1.0
935.08472	0.9
953.09644	5.4
954.09680	0.8
967.10876	1.0
985.11841	7.0
986.12439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
71.82258	0.5
72.07397	0.5
88.02010	0.5
91.01936	0.6
93.03469	0.8
95.01391	1.0
98.12592	0.5
99.00919	0.8
107.01425	0.5
107.05141	0.5
109.02979	1.2
113.51689	0.7
117.03496	0.7
119.05013	1.1
123.00906	2.6
124.01663	0.6
125.02476	5.1
126.67101	0.5
129.03494	0.6
131.05023	0.7
133.02962	0.9
133.06624	0.7
135.04518	0.6
137.02457	2.0
145.02957	1.9
147.00960	0.6
147.04543	2.8
149.02473	1.6
149.06218	0.6
151.00337	0.6
157.02966	1.4
159.04521	2.4
160.01706	0.6
161.02463	1.7
161.06070	1.7
162.03224	0.8
163.00322	0.8
163.04019	3.7
164.01169	1.7
165.01942	1.3
169.01418	3.6
173.02408	2.7
175.04044	4.8
177.02022	3.0
177.05606	2.3
179.03455	1.1
185.02475	2.8
187.03978	2.2
189.01968	2.8
190.02762	1.6
191.03511	6.0
192.00644	1.2
193.01402	2.2
199.00543	0.5
200.01013	0.6
201.01976	4.4
202.02455	1.0
203.01639	0.6
203.03528	11.1
205.01407	0.6
205.05106	8.1
207.02991	1.8
213.01939	1.4
216.00523	0.7
217.01445	1.9
218.99399	1.2
219.03078	2.8
221.04622	1.0
226.99738	0.8
229.01454	7.0
230.02005	0.8
231.02975	10.6
232.03360	0.6
233.00989	0.6
242.99631	0.6
244.00079	0.7
245.00937	3.6
247.02440	4.5
248.03236	1.2
249.04027	4.4
251.01939	5.6
257.00958	4.6
258.01685	2.1
270.98734	0.8
273.00534	3.1
274.01056	1.3
275.01993	18.3
276.02341	1.0
283.99637	2.8
291.01584	1.5
293.03165	1.3
298.98367	1.4
299.99112	13.5
300.99924	100.0
302.00256	5.9
305.81613	0.7
307.04749	1.3
313.05524	0.7
319.01044	0.7
325.05634	1.8
337.02176	1.3
351.03522	6.9
371.23633	0.6
427.77570	0.6
437.07327	1.0
447.05664	9.5
463.05438	1.1
481.06256	7.9
513.09033	2.7
537.19775	7.8
538.19934	1.4
539.20593	1.0
633.07361	10.3
634.07727	0.6
651.08716	1.3
815.10168	1.1
909.11475	1.0
935.08472	0.9
953.09644	5.4
954.09680	0.8
967.10876	1.0
985.11841	7.0
986.12439	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99587	0.2
71.01369	0.4
78.51564	0.2
78.95910	7.1
79.95746	5.7
89.02454	0.2
94.92537	0.4
96.92219	0.4
96.96022	100.0
96.96920	7.6
97.95996	0.2
101.02427	0.2
102.57204	0.2
126.67935	0.1
143.02252	0.1
197.11827	0.3
209.11847	0.5
210.66104	0.1
212.88550	0.1
214.59763	0.2
227.79567	0.2
227.81877	0.2
265.07672	0.3
277.21768	0.3
291.19601	0.3
293.21320	0.3
309.20706	0.4
329.78976	0.2
397.13599	0.5
400.32321	0.2
415.14551	0.3
471.34851	0.5
472.35153	0.4
521.38397	0.2
982.65613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54498	0.3
71.01391	0.3
78.95912	5.7
79.95745	5.6
89.02437	0.1
94.92519	0.4
96.92249	0.5
96.96024	100.0
96.96912	5.8
97.95966	0.2
101.02435	0.2
111.08232	0.1
184.24286	0.1
195.13890	0.2
197.11830	0.4
209.11830	0.2
291.19659	0.2
293.21283	1.1
301.00195	0.1
309.20734	0.9
397.13553	0.4
415.14615	0.3
471.34726	0.4
472.35159	0.4
473.35687	0.1
594.11505	0.1
891.76038	0.1
982.66919	0.2
983.66516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	0.7
71.94873	0.5
83.89243	0.6
85.02284	0.5
93.03461	0.8
95.01391	1.9
95.22621	0.6
96.96017	1.0
98.20747	1.1
105.03471	1.0
109.02979	1.2
117.03486	1.8
119.05043	3.7
121.02962	1.1
123.00908	5.2
125.02454	7.4
131.05058	2.0
133.02939	2.0
133.06496	0.7
135.04517	2.2
137.02446	1.6
138.03142	0.6
145.02968	5.5
146.03734	0.9
147.04547	6.3
149.02457	1.9
151.00369	1.2
151.03995	1.1
157.02930	2.1
158.03694	0.7
159.04506	4.7
161.02473	5.6
161.05995	0.8
162.03230	0.8
163.04037	7.6
164.01125	0.7
164.04707	0.9
167.03543	0.8
169.01442	6.4
171.00719	0.6
173.02428	4.4
174.03209	2.4
175.04027	16.0
177.01965	6.0
177.05429	0.8
179.03424	0.6
183.34789	0.6
185.02454	2.8
187.04051	1.0
189.01936	4.2
190.02681	2.3
190.99783	0.6
191.03532	6.3
192.00801	0.7
193.01465	1.0
194.99449	0.8
200.01039	0.7
200.54237	0.6
201.01955	8.3
202.02696	1.1
203.03526	18.9
204.03937	0.9
205.01422	1.3
205.05128	1.3
206.02242	0.7
207.02982	0.6
211.02460	0.7
213.01889	1.7
214.02762	0.8
217.01442	4.7
218.02187	1.6
219.03041	8.4
220.03722	1.2
225.84572	0.6
228.00597	0.7
229.01448	11.8
229.07359	0.6
229.09428	0.8
230.02106	1.6
231.03006	7.8
233.04543	1.3
235.02647	0.7
235.06136	6.7
245.00894	8.0
246.01639	1.9
247.02496	16.5
248.03249	6.2
249.04039	19.4
250.04370	0.7
257.00980	7.9
258.01642	2.6
261.04047	2.0
265.03641	1.1
265.07123	0.7
270.99033	0.7
273.00409	6.1
274.01224	1.7
275.01996	45.1
276.02417	2.5
277.03333	0.7
279.05124	4.3
283.99698	2.5
291.01550	6.7
299.99213	5.6
300.99921	100.0
302.00330	5.4
303.20624	0.6
305.03012	6.3
323.04123	14.1
333.02527	0.8
367.03113	1.2
419.06097	2.4
437.07294	1.7
445.04187	1.6
459.18686	2.0
463.05222	2.5
467.08365	4.8
477.10266	5.0
478.10690	1.8
603.36835	0.7
605.08777	0.8
610.52673	0.7
615.06018	1.3
619.09460	1.0
633.07355	7.0
634.07623	1.0
637.10413	0.7
669.06403	0.7
711.10168	0.6
737.06165	0.9
769.08301	3.7
770.09259	0.8
851.09998	1.1
907.08716	6.9
908.08990	0.9
939.11292	6.0
940.11017	0.9
983.09937	2.2
984.10284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.7
71.56748	0.7
79.31367	0.6
91.05532	0.8
95.01404	3.0
97.02936	0.8
101.03984	0.6
103.05530	0.7
105.03487	0.9
107.01389	1.2
108.02177	0.6
109.02977	1.0
117.03497	1.7
119.05030	4.6
123.00900	6.5
124.01661	1.7
125.02468	9.2
129.03432	1.0
131.05029	2.6
133.02962	2.2
135.04497	2.4
137.02431	1.8
139.00371	0.9
145.02969	6.5
146.03693	1.0
147.04547	5.6
149.02441	1.7
149.06122	0.8
151.00352	1.3
151.04118	0.8
157.02962	1.8
158.03790	1.2
159.04506	4.8
160.01697	1.0
161.02466	5.7
161.06104	1.2
162.03268	0.6
163.00375	1.2
163.04034	10.4
164.04716	1.0
165.01891	1.5
169.01443	6.0
171.14937	0.7
173.02435	6.4
174.03220	1.4
175.04016	18.3
176.01146	0.7
176.04686	1.0
177.01981	6.0
179.03488	1.1
185.02455	4.4
187.04085	1.4
189.01941	4.1
190.02724	3.1
191.03528	7.8
197.45493	0.8
201.01958	8.9
202.02650	1.3
203.03522	23.0
204.03729	1.2
205.01460	1.8
205.05154	1.9
206.02220	1.3
207.02914	0.9
213.01906	2.1
214.02684	1.2
217.01468	4.9
217.05086	0.8
218.02151	2.0
219.02985	10.1
220.03671	1.8
221.04666	1.2
227.03693	0.8
228.00772	0.8
229.01437	15.4
230.02110	2.4
231.02991	10.5
233.04590	2.4
235.06122	6.8
245.00923	8.7
246.01584	2.3
247.02493	21.1
247.05072	1.1
248.03273	9.2
249.04076	21.0
250.04568	1.5
257.00897	8.7
258.01746	4.0
261.04001	2.7
270.98807	0.8
273.00433	6.8
274.01141	2.4
275.01987	49.9
276.02356	2.4
277.03479	1.0
279.05133	6.1
283.99667	2.8
291.01529	6.8
292.02100	0.8
298.98602	0.7
299.99124	4.6
300.02707	1.7
300.99924	100.0
302.00250	5.1
305.02954	7.8
313.05637	0.7
323.04141	15.6
324.04544	1.0
331.00876	0.7
359.04489	0.7
419.06201	2.5
435.05731	1.6
437.07092	1.9
445.04132	1.6
459.18857	2.5
463.05103	3.0
467.08237	5.3
473.36337	0.7
477.10339	8.0
478.10699	1.5
497.39813	0.7
523.18280	0.7
587.07068	0.9
605.08026	1.6
615.06372	0.9
619.09570	2.0
633.07416	9.2
634.08832	0.8
737.06482	0.9
769.09546	3.6
895.12378	1.5
907.08405	8.1
908.09003	1.2
939.11072	8.4
940.10583	0.9
983.09674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.7
71.56748	0.7
79.31367	0.6
91.05532	0.8
95.01404	3.0
97.02936	0.8
101.03984	0.6
103.05530	0.7
105.03487	0.9
107.01389	1.2
108.02177	0.6
109.02977	1.0
117.03497	1.7
119.05030	4.6
123.00900	6.5
124.01661	1.7
125.02468	9.2
129.03432	1.0
131.05029	2.6
133.02962	2.2
135.04497	2.4
137.02431	1.8
139.00371	0.9
145.02969	6.5
146.03693	1.0
147.04547	5.6
149.02441	1.7
149.06122	0.8
151.00352	1.3
151.04118	0.8
157.02962	1.8
158.03790	1.2
159.04506	4.8
160.01697	1.0
161.02466	5.7
161.06104	1.2
162.03268	0.6
163.00375	1.2
163.04034	10.4
164.04716	1.0
165.01891	1.5
169.01443	6.0
171.14937	0.7
173.02435	6.4
174.03220	1.4
175.04016	18.3
176.01146	0.7
176.04686	1.0
177.01981	6.0
179.03488	1.1
185.02455	4.4
187.04085	1.4
189.01941	4.1
190.02724	3.1
191.03528	7.8
197.45493	0.8
201.01958	8.9
202.02650	1.3
203.03522	23.0
204.03729	1.2
205.01460	1.8
205.05154	1.9
206.02220	1.3
207.02914	0.9
213.01906	2.1
214.02684	1.2
217.01468	4.9
217.05086	0.8
218.02151	2.0
219.02985	10.1
220.03671	1.8
221.04666	1.2
227.03693	0.8
228.00772	0.8
229.01437	15.4
230.02110	2.4
231.02991	10.5
233.04590	2.4
235.06122	6.8
245.00923	8.7
246.01584	2.3
247.02493	21.1
247.05072	1.1
248.03273	9.2
249.04076	21.0
250.04568	1.5
257.00897	8.7
258.01746	4.0
261.04001	2.7
270.98807	0.8
273.00433	6.8
274.01141	2.4
275.01987	49.9
276.02356	2.4
277.03479	1.0
279.05133	6.1
283.99667	2.8
291.01529	6.8
292.02100	0.8
298.98602	0.7
299.99124	4.6
300.02707	1.7
300.99924	100.0
302.00250	5.1
305.02954	7.8
313.05637	0.7
323.04141	15.6
324.04544	1.0
331.00876	0.7
359.04489	0.7
419.06201	2.5
435.05731	1.6
437.07092	1.9
445.04132	1.6
459.18857	2.5
463.05103	3.0
467.08237	5.3
473.36337	0.7
477.10339	8.0
478.10699	1.5
497.39813	0.7
523.18280	0.7
587.07068	0.9
605.08026	1.6
615.06372	0.9
619.09570	2.0
633.07416	9.2
634.08832	0.8
737.06482	0.9
769.09546	3.6
895.12378	1.5
907.08405	8.1
908.09003	1.2
939.11072	8.4
940.10583	0.9
983.09674	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	0.3
71.57064	0.2
71.57475	0.3
78.95914	6.3
79.95748	5.6
89.02449	0.3
92.92822	0.6
94.92511	0.8
96.92223	0.6
96.96023	100.0
96.96917	5.8
98.95583	0.3
111.38605	0.3
121.47597	0.2
150.75212	0.2
188.15973	0.2
206.21236	0.2
207.10240	0.3
277.21716	0.3
287.16409	0.2
291.19766	0.3
397.13367	0.5
507.46448	0.2
511.40170	0.2
588.25006	0.3
661.20111	0.2
722.45264	0.3
882.96515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	0.3
71.57064	0.2
71.57475	0.3
78.95914	6.3
79.95748	5.6
89.02449	0.3
92.92822	0.6
94.92511	0.8
96.92223	0.6
96.96023	100.0
96.96917	5.8
98.95583	0.3
111.38605	0.3
121.47597	0.2
150.75212	0.2
188.15973	0.2
206.21236	0.2
207.10240	0.3
277.21716	0.3
287.16409	0.2
291.19766	0.3
397.13367	0.5
507.46448	0.2
511.40170	0.2
588.25006	0.3
661.20111	0.2
722.45264	0.3
882.96515	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
70.53591	4.1
76.70786	1.0
89.03970	2.0
95.01389	6.7
96.35857	1.2
98.20596	1.3
101.04008	1.3
103.01908	1.3
107.01382	2.1
107.05024	1.1
109.32279	1.1
111.00880	1.8
115.01942	1.7
117.03484	7.1
119.01415	1.9
119.05037	3.6
121.03001	2.7
123.00898	12.6
124.33246	1.1
125.02439	7.5
126.60731	1.1
129.03520	2.0
131.01418	2.5
131.05003	1.8
132.02176	1.9
133.02960	7.9
135.04533	2.4
143.01402	3.3
144.02190	1.3
145.02975	20.9
147.00897	2.9
147.04578	9.2
149.02409	3.1
151.00392	1.8
153.91766	1.1
157.02957	2.9
159.00867	3.4
159.04538	3.1
160.01657	3.0
161.02463	21.4
162.03299	3.0
163.00348	4.1
163.04016	12.1
164.01231	1.3
165.05582	1.1
166.99846	5.1
169.01442	4.2
171.00920	7.8
172.01646	3.7
173.02437	19.1
175.00320	2.1
175.04004	7.9
176.01157	1.3
177.01933	5.7
178.99866	2.8
179.03535	2.5
185.02455	3.9
187.00386	8.8
187.04050	2.0
188.01161	3.2
189.01932	23.4
190.02737	9.9
190.99870	3.5
191.03500	18.4
191.98021	1.1
197.65463	1.5
199.00397	4.5
200.01117	5.7
201.01952	19.5
203.03523	8.4
205.01471	3.4
207.02972	3.0
213.01947	2.5
214.99907	13.5
215.03471	1.6
216.00647	6.7
217.01440	29.9
218.01915	2.9
219.02972	8.4
221.04442	1.9
226.99869	5.4
228.00670	4.2
229.01434	18.8
230.02057	1.5
230.99307	2.0
231.02962	10.7
233.00883	3.5
233.97842	1.5
235.02490	3.1
242.99379	20.4
243.03021	2.1
244.00122	7.4
245.00928	41.8
246.01567	4.3
247.02507	28.8
248.03188	1.8
249.04047	4.3
254.99374	1.6
255.02977	1.6
257.00833	7.4
258.01492	3.2
258.98700	1.8
259.02597	9.3
259.99673	3.7
261.00357	9.1
262.00766	1.3
263.01993	3.5
270.98868	63.0
271.99469	7.1
273.00439	67.9
274.01001	5.0
275.01941	17.8
276.02234	1.3
283.99725	4.2
286.98358	3.5
287.01990	7.6
289.00000	6.2
290.00650	3.7
291.01514	24.9
298.98367	74.8
299.99088	26.8
300.99915	100.0
302.00327	4.5
303.01404	4.0
305.03122	4.4
307.45163	1.2
315.01370	2.3
316.99445	10.7
331.01025	11.4
340.99319	1.5
349.01956	4.8
443.02399	1.5
461.03842	5.5
493.06442	3.6
532.12732	1.2
595.03900	2.1
613.04987	2.0
645.07483	4.1
651.95038	1.2
745.03503	1.7
749.06195	1.6
756.41266	1.3
763.04492	6.2
775.04211	2.1
777.05957	17.9
778.05865	2.5
793.05341	4.9
795.06854	7.0
796.07959	1.5
813.56531	1.5
885.04626	1.4
903.05457	1.9
913.04584	1.9
931.04401	1.7
935.07623	1.8
945.06329	7.2
963.07440	10.8
964.06781	1.9
981.09479	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	977.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
68.70246	0.2
68.99821	0.4
69.29126	1.6
70.45262	0.2
71.01387	0.3
71.87989	0.2
72.84238	0.2
75.81316	0.2
79.86600	0.2
85.02959	0.3
86.83093	0.2
96.96026	0.4
103.09043	0.2
104.02692	0.4
116.04103	0.2
119.01365	0.2
123.00890	0.3
125.02396	0.3
128.02759	0.2
132.02165	1.5
144.02177	0.7
148.01637	0.4
156.02187	3.1
160.01669	1.7
169.01448	0.3
171.10321	0.6
172.01678	0.9
176.01128	0.9
184.01643	3.1
187.00441	0.4
188.01106	0.6
200.01151	4.4
204.00606	0.3
211.13271	0.5
212.01138	2.9
216.00725	0.6
217.98521	0.2
218.23576	0.2
220.70987	0.2
226.99918	0.4
228.00677	3.1
229.01170	0.2
229.14575	0.5
240.00641	9.1
241.00957	0.8
242.99396	0.5
254.99326	0.9
256.00153	2.1
257.00870	0.2
274.01166	0.3
282.98846	1.3
283.99631	7.6
285.00021	0.2
310.98325	0.6
311.99130	74.3
312.99503	3.6
325.20471	0.2
327.01471	100.0
327.21719	4.4
328.01797	5.7
328.28848	0.2
329.02246	0.3
368.63281	0.2
376.79956	0.2
413.30719	0.2
417.32486	0.3
487.34344	0.8
488.34464	0.3
503.33463	0.4
555.40936	0.3
640.34589	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	0.7
71.57214	0.4
82.27446	0.4
93.03477	1.4
93.83184	0.4
96.96031	1.3
96.99268	0.4
99.38100	0.4
113.02402	0.6
117.03483	15.3
119.05040	100.0
120.05357	3.4
125.02473	1.3
126.48836	0.4
134.03764	0.5
135.14497	0.4
145.02968	63.3
146.03314	2.4
150.03235	0.5
153.01891	0.6
159.04555	0.6
161.06097	0.8
163.04025	45.8
164.04405	1.2
167.03436	0.6
169.01407	2.1
187.03983	0.9
195.06638	0.6
247.06065	0.5
255.05057	0.8
285.04126	1.9
300.99881	4.1
302.00211	0.5
305.82574	0.4
307.08255	29.6
308.08405	2.3
417.08246	0.6
435.12537	0.6
471.12988	72.7
472.13327	5.5
523.22235	0.6
541.22601	0.8
977.34045	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.6935
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26695	0.3
84.10551	0.1
150.05280	0.1
154.08752	0.1
170.91531	0.1
194.98848	0.1
219.52783	0.1
222.07707	0.1
249.91667	0.2
291.82983	0.1
409.31235	0.4
486.33093	0.4
487.34320	100.0
488.34659	9.6
752.45184	0.2
1010.76819	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.5
71.56910	0.7
79.05557	0.5
91.79028	0.4
95.01418	1.3
96.96033	0.7
99.00890	2.0
107.01395	1.0
109.02347	0.5
109.02951	3.4
111.00874	0.9
119.05053	1.1
121.02957	0.7
123.00903	3.3
124.01711	0.6
125.02462	13.3
126.02802	1.0
129.03574	0.7
131.05061	1.5
133.03001	1.2
135.04533	1.0
137.02470	7.6
139.00395	0.7
145.02948	2.9
147.04494	2.7
149.02365	1.0
149.06087	2.1
150.03125	0.6
150.06403	1.1
151.00331	0.8
151.04057	0.6
157.02945	0.9
159.04526	3.1
161.02435	1.6
162.03252	0.8
163.00377	1.1
163.04036	2.8
164.01105	0.7
164.04781	0.7
164.64935	0.5
165.01938	4.4
168.00569	0.5
168.35872	0.6
169.01454	12.0
170.01781	0.6
173.02434	2.8
174.03076	0.8
175.03998	5.2
176.04366	1.3
177.01938	3.4
177.05641	2.9
178.05891	1.5
179.05956	0.8
185.02419	4.2
187.03996	0.7
189.01947	1.6
190.02684	1.5
191.03520	15.7
192.03925	0.9
193.01447	0.8
193.05147	3.0
197.53819	0.5
201.01999	3.9
202.02391	0.6
203.03496	7.6
204.03769	1.7
209.00934	4.7
213.01964	0.9
217.01436	2.2
219.03009	8.4
220.03258	0.9
221.01033	0.9
221.04570	2.1
222.04907	0.7
229.01451	8.7
230.01883	1.0
231.03076	6.1
232.03268	1.5
235.02493	2.0
237.04085	7.1
245.00952	4.2
247.02498	2.8
248.03233	4.4
249.04074	12.1
250.04416	1.2
251.04364	0.9
257.00977	6.3
258.01651	1.9
259.01852	0.5
263.01947	1.3
265.03574	2.5
266.03900	1.4
267.04150	0.8
268.04251	0.7
273.00430	3.7
274.01117	1.5
275.01999	27.3
276.02350	3.6
277.02368	2.5
278.02866	0.9
281.03049	1.7
283.99625	3.3
291.01474	1.9
292.01724	0.6
299.99008	4.0
300.99918	100.0
302.00247	10.2
303.00500	4.7
304.00748	1.4
307.01019	3.9
307.08566	0.9
313.05765	1.2
389.18048	0.7
419.06641	0.7
425.07349	1.6
443.08453	0.6
465.06522	0.8
483.07620	0.7
595.09619	1.2
615.06238	0.8
633.07318	6.1
634.07642	1.2
635.08923	7.7
636.09106	1.5
637.08765	0.6
673.98315	0.6
727.07837	2.7
745.08691	1.3
825.08246	0.6
855.10425	0.6
883.11700	0.6
885.10950	2.5
893.10522	0.6
897.10022	14.8
898.10156	1.5
926.66504	0.6
929.10846	1.9
941.09570	1.4
955.10284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	0.5
71.56910	0.7
79.05557	0.5
91.79028	0.4
95.01418	1.3
96.96033	0.7
99.00890	2.0
107.01395	1.0
109.02347	0.5
109.02951	3.4
111.00874	0.9
119.05053	1.1
121.02957	0.7
123.00903	3.3
124.01711	0.6
125.02462	13.3
126.02802	1.0
129.03574	0.7
131.05061	1.5
133.03001	1.2
135.04533	1.0
137.02470	7.6
139.00395	0.7
145.02948	2.9
147.04494	2.7
149.02365	1.0
149.06087	2.1
150.03125	0.6
150.06403	1.1
151.00331	0.8
151.04057	0.6
157.02945	0.9
159.04526	3.1
161.02435	1.6
162.03252	0.8
163.00377	1.1
163.04036	2.8
164.01105	0.7
164.04781	0.7
164.64935	0.5
165.01938	4.4
168.00569	0.5
168.35872	0.6
169.01454	12.0
170.01781	0.6
173.02434	2.8
174.03076	0.8
175.03998	5.2
176.04366	1.3
177.01938	3.4
177.05641	2.9
178.05891	1.5
179.05956	0.8
185.02419	4.2
187.03996	0.7
189.01947	1.6
190.02684	1.5
191.03520	15.7
192.03925	0.9
193.01447	0.8
193.05147	3.0
197.53819	0.5
201.01999	3.9
202.02391	0.6
203.03496	7.6
204.03769	1.7
209.00934	4.7
213.01964	0.9
217.01436	2.2
219.03009	8.4
220.03258	0.9
221.01033	0.9
221.04570	2.1
222.04907	0.7
229.01451	8.7
230.01883	1.0
231.03076	6.1
232.03268	1.5
235.02493	2.0
237.04085	7.1
245.00952	4.2
247.02498	2.8
248.03233	4.4
249.04074	12.1
250.04416	1.2
251.04364	0.9
257.00977	6.3
258.01651	1.9
259.01852	0.5
263.01947	1.3
265.03574	2.5
266.03900	1.4
267.04150	0.8
268.04251	0.7
273.00430	3.7
274.01117	1.5
275.01999	27.3
276.02350	3.6
277.02368	2.5
278.02866	0.9
281.03049	1.7
283.99625	3.3
291.01474	1.9
292.01724	0.6
299.99008	4.0
300.99918	100.0
302.00247	10.2
303.00500	4.7
304.00748	1.4
307.01019	3.9
307.08566	0.9
313.05765	1.2
389.18048	0.7
419.06641	0.7
425.07349	1.6
443.08453	0.6
465.06522	0.8
483.07620	0.7
595.09619	1.2
615.06238	0.8
633.07318	6.1
634.07642	1.2
635.08923	7.7
636.09106	1.5
637.08765	0.6
673.98315	0.6
727.07837	2.7
745.08691	1.3
825.08246	0.6
855.10425	0.6
883.11700	0.6
885.10950	2.5
893.10522	0.6
897.10022	14.8
898.10156	1.5
926.66504	0.6
929.10846	1.9
941.09570	1.4
955.10284	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.6621
Annotation	Unknow
Peak:m/z	Relative Intensity
71.47940	0.6
79.80657	0.3
90.83975	0.4
96.96021	2.0
106.82458	0.4
115.36853	0.4
125.02431	0.4
135.04550	0.9
161.02481	1.0
179.03429	0.9
211.13467	0.7
248.48758	0.4
250.06464	0.4
281.06534	0.5
300.99817	1.0
323.23914	0.8
405.27753	0.7
406.28079	0.3
407.29688	0.7
421.31030	0.7
423.28754	0.5
425.30606	1.4
437.30679	0.9
439.32227	34.7
440.32660	3.6
441.33795	1.5
447.13663	0.7
467.31720	0.4
485.32745	100.0
486.33069	8.0
568.53632	0.4
911.49585	0.5
971.46997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5938
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	2.7
71.56187	0.8
73.02946	4.9
83.01422	0.7
86.97490	0.5
96.96032	2.5
101.02437	1.4
119.88305	0.5
125.02437	0.6
161.02455	0.9
161.04546	0.5
201.11365	0.5
256.57590	0.5
291.92944	0.6
294.68945	0.6
300.99966	1.1
307.24106	0.6
309.20721	0.5
319.21271	1.0
389.28680	1.0
392.27347	1.5
407.29556	5.4
419.29712	0.8
439.32043	1.5
451.25494	10.7
453.30460	0.8
469.29495	1.2
485.32758	100.0
486.33096	7.9
501.32266	4.2
517.31696	0.9
518.31781	1.1
519.33405	19.9
520.33826	1.4
529.31519	1.2
626.14154	0.6
764.29462	0.6
911.52130	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.5511
Annotation	Unknow
Peak:m/z	Relative Intensity
68.93884	6.8
69.89829	31.1
71.01400	6.7
85.14857	7.5
87.94109	5.8
89.02428	9.4
101.02444	10.8
113.02404	8.9
136.78069	6.3
152.12720	5.8
181.69983	7.1
277.21738	100.0
379.12305	17.2
397.13495	50.8
957.87769	6.6
971.54724	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	969.7168
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05015	5.0
71.56535	2.1
78.95890	1.7
89.08328	1.7
96.79106	2.2
96.96008	19.5
103.80840	1.6
124.29684	1.5
125.02484	1.8
182.19342	1.7
211.13492	2.2
277.27478	1.6
300.99957	5.2
397.13681	2.6
409.34637	2.1
413.34308	11.5
445.14621	1.8
473.36395	80.0
474.36618	9.4
483.31201	2.9
520.20239	1.9
850.56439	1.9
969.71637	100.0
970.72107	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	969.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	0.6
71.01389	2.0
71.43763	0.3
71.56955	0.6
78.00188	0.3
78.31454	0.3
79.01891	0.6
83.01409	0.7
84.85947	0.3
85.02974	0.6
87.00890	0.4
89.02463	0.7
95.01390	0.7
97.02940	0.6
101.02469	0.8
107.01402	4.7
109.02872	0.3
110.00097	0.4
111.00915	2.0
113.02454	0.4
121.02936	0.4
121.06599	0.4
123.00893	4.2
124.01717	1.4
125.02460	24.7
126.02800	0.5
127.00404	0.8
133.02960	1.8
136.98816	1.4
137.02483	0.4
137.09721	2.0
139.00392	3.0
139.04039	0.5
140.01195	3.3
149.02438	0.5
151.00371	3.9
154.99886	0.4
165.01987	0.7
167.03471	1.5
167.99211	0.6
168.00653	13.9
169.01440	38.2
170.01741	0.6
175.04129	0.4
179.68312	0.3
183.02957	0.6
193.01433	0.5
199.04037	0.4
211.02493	64.7
212.02861	2.4
217.05019	0.5
241.03406	2.0
269.04282	0.5
271.04608	100.0
272.05008	3.8
285.04059	31.8
286.04446	1.7
300.99896	1.2
331.06723	30.1
332.07089	1.7
447.09503	6.4
447.16348	0.7
521.20313	81.3
522.20679	8.5
537.19934	1.2
595.68250	0.3
743.99878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01871	0.4
69.89346	0.4
71.01380	0.7
71.56618	0.6
87.00879	1.7
93.03459	0.6
95.01390	1.6
103.05540	0.6
105.03499	0.9
107.01429	0.6
107.05027	0.5
109.02917	0.5
113.02468	0.6
117.03493	1.4
119.05039	2.2
121.02977	0.7
123.00901	2.6
123.04453	0.5
124.01682	0.8
125.02474	4.3
129.03418	0.6
131.05009	1.3
133.02960	1.2
135.04535	1.2
137.02429	0.9
137.06015	0.5
145.02966	3.2
147.04546	5.3
149.02448	1.6
149.06062	2.5
151.04013	0.7
157.02954	1.4
158.03719	0.9
159.04530	2.6
161.02446	2.5
162.03197	0.8
163.00352	0.5
163.04027	3.2
164.04686	0.5
165.01938	0.6
165.05511	0.8
166.99957	0.5
167.03555	0.7
169.01479	3.5
169.55754	0.4
173.02469	3.4
174.03137	1.2
175.02541	0.8
175.04015	11.1
176.01253	0.5
177.01958	4.1
177.05589	4.3
179.03462	0.8
185.02448	3.8
189.01933	3.2
190.02699	1.5
190.99857	0.6
191.03514	7.6
192.00616	0.7
192.03857	0.5
193.01424	1.5
193.05040	0.8
194.99385	0.4
201.01962	6.1
203.03526	13.0
204.03883	0.9
205.01396	1.6
207.02998	1.2
213.02048	0.9
214.02588	0.5
214.99779	0.5
215.03569	0.4
217.01460	4.9
218.02319	0.5
219.02998	3.5
220.03651	0.5
221.00949	1.4
221.04547	3.4
226.99724	0.7
229.01428	8.3
230.02036	1.1
231.02977	4.0
233.00937	0.7
235.02519	2.5
242.99304	0.5
245.00908	8.6
246.01431	1.4
247.02515	13.6
247.05072	0.8
248.03174	2.1
249.04053	7.1
257.00928	5.5
258.01691	2.1
258.03931	0.4
261.00433	0.6
263.01987	0.4
265.03528	4.1
270.99017	0.5
273.00418	8.6
273.03375	0.7
274.00949	1.8
275.02011	18.7
276.02298	1.1
283.99603	2.3
291.01544	3.5
298.98383	0.9
299.99142	3.6
300.99915	100.0
302.00238	7.9
303.00372	2.5
304.00613	0.6
309.02817	0.7
313.05554	0.5
316.99353	0.7
335.00388	1.3
353.01599	0.6
379.06454	0.4
409.07748	1.0
419.06052	0.5
423.05490	0.4
445.04037	0.5
453.06635	1.0
463.05289	1.1
531.08228	0.7
549.08850	0.5
575.05945	0.5
605.07965	0.6
615.06433	0.8
623.08948	0.7
633.07361	8.6
634.08002	1.1
667.07410	0.5
737.08209	0.6
755.08453	0.5
798.55664	0.4
837.08154	2.3
851.09381	2.1
867.09558	0.8
877.07770	1.1
881.10864	0.9
895.08148	0.5
907.08905	1.0
925.09967	1.6
951.09259	0.5
969.08551	2.7
970.10107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27613	0.8
70.35580	2.3
71.01399	0.9
79.05544	1.3
79.52023	0.7
88.93706	0.7
89.52924	0.8
91.05489	0.7
95.01395	1.9
105.03484	1.2
107.01417	0.7
107.05041	1.3
109.02953	0.8
119.05077	3.3
121.03002	0.7
121.06633	0.9
123.00933	4.1
124.01705	0.8
125.02477	6.0
130.04257	0.7
131.05038	3.9
133.02940	1.2
133.06624	0.8
135.04515	0.9
137.02513	0.7
145.02956	2.5
147.04532	8.0
149.06114	10.0
157.02937	1.7
158.03752	1.2
159.04527	6.3
161.02478	3.1
162.03252	2.6
163.04005	2.9
164.01085	1.3
166.99918	0.7
169.01460	4.1
173.02451	2.8
174.03249	1.6
175.04030	23.3
176.04587	1.0
177.01968	2.7
177.05592	17.6
185.02475	3.1
187.04008	0.8
189.01942	2.7
190.02721	1.9
191.03545	7.9
193.05054	1.5
201.02049	5.0
202.02661	1.0
203.03529	30.1
204.03952	1.5
204.86086	0.7
205.01433	1.5
213.01956	1.8
216.45587	0.8
217.01405	2.0
219.02957	3.2
220.03824	1.0
221.04582	9.8
229.01451	10.2
230.02164	1.2
231.03009	10.8
235.02538	1.9
245.00909	5.4
247.02505	20.1
248.03180	6.2
249.04071	16.7
257.00912	8.7
258.01697	3.5
265.03552	16.2
266.03796	0.8
273.00491	3.7
274.01181	2.8
275.01999	45.4
276.02344	1.7
283.99634	2.5
288.50577	0.8
291.01489	5.1
299.99203	3.3
300.99933	100.0
302.00302	5.8
309.02448	1.5
331.04715	0.8
336.58957	0.8
409.07910	4.9
419.06436	1.9
437.07410	1.3
445.03979	0.8
453.06372	0.9
463.05035	2.4
510.39441	0.8
561.09161	1.0
579.09741	1.4
612.92645	0.7
623.09338	1.0
633.07367	27.3
634.07495	2.7
711.08643	3.1
755.08215	1.0
797.09119	0.9
816.10345	0.7
837.13123	1.0
851.10205	2.2
853.67987	0.7
881.10864	10.5
882.11060	1.7
925.09558	7.0
969.08148	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84115	1.7
69.84538	3.0
71.01417	1.0
79.05544	1.8
95.01413	1.3
99.20661	0.8
102.63797	0.8
105.07062	0.8
117.03419	1.3
119.05051	3.7
121.06622	1.5
123.00894	4.4
124.01672	0.9
125.02474	7.1
131.04987	2.6
133.02922	2.5
133.06563	1.9
134.03726	1.0
135.04535	1.5
137.02480	1.0
144.58705	0.8
145.02969	2.6
147.04562	7.4
147.59880	0.9
149.02486	1.9
149.06087	12.9
151.04027	1.0
157.02985	1.6
158.03729	1.5
159.04532	7.6
161.02475	2.1
162.03252	2.4
163.04031	3.3
164.01173	1.0
165.01920	1.2
169.01434	2.8
173.02411	3.3
174.03223	0.8
175.04013	18.2
176.04622	1.8
177.01926	2.7
177.05585	26.3
178.05951	1.3
185.02477	3.0
187.04074	1.3
189.02016	1.5
190.02608	1.6
191.03537	12.5
193.05124	1.6
201.01987	4.9
202.02774	1.3
203.03517	29.6
204.03926	1.9
205.01381	1.1
213.01965	2.3
217.01433	2.4
218.01971	0.9
219.03033	4.3
220.03732	2.7
221.04585	12.0
226.99838	1.3
229.01437	12.2
230.02266	1.9
231.03047	12.3
235.02477	2.6
245.00874	5.1
247.02466	15.8
248.03207	7.8
249.04051	23.7
250.04362	1.3
257.00934	9.4
258.01718	3.5
265.03568	27.0
266.03891	0.9
266.33701	0.9
273.00488	5.0
274.01056	2.2
275.01993	54.5
276.02295	3.1
283.99658	2.8
291.01541	5.5
299.99152	3.4
300.99911	100.0
302.00269	4.6
309.02371	1.7
373.05685	0.8
401.04703	1.0
409.07819	6.3
419.06201	2.6
437.07355	1.0
445.03952	0.9
453.06546	1.4
463.05084	1.7
561.09045	1.3
579.09753	1.4
633.07458	9.6
634.07495	0.8
681.08752	0.8
685.10590	1.3
711.08252	3.0
755.07336	1.8
851.10162	4.2
864.08203	0.9
881.10492	12.1
882.10767	2.4
895.08075	2.9
925.09631	5.8
926.12280	1.5
969.09149	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.5636
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	0.6
71.01391	8.5
72.99287	0.7
73.02955	1.1
79.01213	0.4
82.95428	0.7
83.01402	0.8
85.02949	1.7
86.50365	0.4
87.00878	2.0
87.64839	0.4
89.02453	5.9
96.96022	2.7
97.02960	1.4
98.19855	0.8
99.00891	0.5
101.02449	5.0
113.02464	2.6
119.03488	1.9
125.02450	2.1
131.03539	0.5
143.03529	0.8
153.09967	0.5
161.04562	1.4
164.37231	0.5
165.86462	0.4
167.10867	0.5
167.77118	0.4
179.05664	2.0
179.14418	0.8
195.13919	7.3
196.14517	0.5
205.12320	0.7
205.16081	0.5
221.06705	0.5
223.13353	5.9
228.13733	0.7
229.48694	0.6
231.21185	0.5
235.08249	1.9
249.11118	0.7
253.09354	0.6
256.13110	1.3
265.22003	0.6
275.20175	5.3
277.21783	0.8
287.07693	0.7
290.80280	0.5
291.19745	0.7
293.21259	100.0
294.21545	5.7
379.12515	0.7
395.21814	0.5
397.13525	16.3
398.13849	0.7
415.14587	8.9
522.37726	0.5
569.42401	1.3
673.34528	0.7
691.35156	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.27341	2.7
78.91879	0.6
79.95759	1.1
80.96543	0.9
82.09782	0.3
92.02669	0.3
95.10221	0.3
96.96022	2.8
99.95506	0.3
101.02490	0.3
102.53342	0.4
163.35941	0.3
185.36185	0.3
206.39461	0.3
209.11763	0.4
270.38736	0.3
277.21875	0.6
281.59406	0.3
300.99963	1.2
423.32733	0.4
429.41153	0.3
471.34821	100.0
472.35159	8.8
864.22955	0.3
965.68555	95.6
966.68817	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	967.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
69.40820	6.6
72.40339	0.9
79.01868	1.1
85.02951	1.0
88.16595	0.8
95.01395	5.1
95.08994	0.9
97.02953	0.9
107.01390	5.1
107.95371	0.8
109.02900	1.1
111.00845	1.4
117.03470	3.5
119.05010	1.0
121.02982	1.1
122.41344	0.8
123.00903	9.5
125.02460	29.9
129.03455	1.2
132.02226	0.9
133.02986	5.2
136.54553	0.8
136.98839	0.9
137.02455	1.1
138.93181	0.9
139.00375	2.6
140.01170	1.3
145.01878	1.4
145.02954	16.0
147.00835	1.1
147.04520	3.7
149.02505	1.2
151.00378	2.0
157.02969	2.3
159.04581	1.0
160.01686	1.4
161.02452	10.4
163.00383	0.9
163.04013	5.5
166.99843	2.6
168.00645	2.4
169.01436	36.5
171.00896	2.4
173.02467	13.4
174.02899	1.4
175.03990	2.0
177.01909	1.8
178.99814	1.0
179.03481	2.2
179.05020	0.8
185.02409	2.5
187.00410	1.7
187.03967	0.9
189.01939	16.3
190.02698	4.1
191.03462	6.0
199.00327	3.1
199.03850	1.0
200.01135	1.6
201.01949	11.6
202.02390	1.4
203.03467	2.2
205.01385	2.0
207.03033	1.1
211.02390	2.1
214.99881	1.6
216.00639	3.0
217.01424	25.4
218.02127	1.5
219.02994	1.5
226.99849	3.8
228.00696	2.2
228.99220	1.1
229.01411	11.6
229.05051	1.0
230.02036	1.1
231.03008	3.6
235.02315	1.1
239.03375	0.9
242.99434	1.0
244.00128	4.2
245.00920	52.4
246.01373	3.6
247.02478	6.4
249.03885	1.6
254.99348	1.1
257.00934	3.9
259.02136	1.0
261.00443	7.5
263.01892	2.0
267.02859	1.2
270.98932	5.4
271.99625	2.6
273.00436	100.0
274.00839	6.5
275.02014	9.5
276.02548	1.1
283.02386	1.2
288.99957	3.4
291.01511	2.4
295.04691	2.9
298.98297	11.6
299.99109	11.0
300.99915	64.7
302.00198	8.2
303.00562	2.5
305.02945	2.0
313.05725	2.9
316.99417	24.0
317.99664	0.9
349.01959	2.9
449.07257	1.2
465.06577	3.4
539.04974	0.9
597.04980	1.2
615.06421	2.2
617.07922	24.2
618.08203	1.6
747.04950	1.5
749.06140	6.1
750.07196	1.0
765.05377	1.6
767.07642	8.9
768.07318	1.3
783.07104	1.1
891.08148	1.0
917.06915	6.0
918.06903	1.0
935.08356	24.1
935.26703	0.8
936.08429	3.4
967.10614	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	965.6856
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07198	0.3
69.42445	0.9
69.42844	2.4
79.95744	0.6
80.96558	0.4
96.96025	6.8
279.23331	0.7
279.88538	0.4
300.99976	1.5
393.31845	0.4
407.25583	0.4
471.34848	93.7
472.35150	8.8
965.68622	100.0
966.68945	18.8
966.83667	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.6854
Annotation	Unknow
Peak:m/z	Relative Intensity
69.08007	0.3
70.62860	0.7
70.63182	0.3
71.01385	0.3
79.95751	1.0
80.96525	0.9
83.05024	0.3
87.82232	0.2
91.20379	0.3
96.96017	2.6
109.06638	0.3
112.79243	0.3
149.73276	0.3
209.11810	0.4
228.01137	0.3
246.53476	0.3
301.00009	0.8
377.28433	0.4
393.31638	1.2
423.32990	1.4
424.33124	0.8
425.33768	0.4
471.34811	96.5
472.35190	9.0
473.35480	0.6
616.35126	0.3
716.25763	0.3
965.68518	100.0
966.68835	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	965.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57405	0.4
84.44144	0.3
85.78484	0.3
95.01390	1.5
101.03948	0.5
107.01398	0.8
108.17656	0.3
113.02410	0.6
117.03480	1.7
119.04977	0.8
121.02948	0.6
123.00911	2.4
125.02431	2.5
128.06262	0.3
129.03456	0.8
131.05054	0.6
132.02162	0.6
133.02953	1.5
135.04491	0.4
137.02477	0.5
141.22276	0.4
143.01381	0.7
145.02963	5.5
147.00952	0.5
147.04547	1.7
149.02411	0.8
151.00252	0.4
157.02986	1.7
159.00906	0.7
159.04541	0.8
160.01617	1.0
161.02463	4.7
162.03276	0.7
163.00389	0.6
163.03999	2.4
164.01051	0.4
165.01949	0.5
166.99844	1.0
169.01471	3.0
171.00862	1.5
172.01617	0.5
173.02454	5.0
174.03247	0.5
175.00345	0.4
175.04007	1.5
177.01945	1.7
178.99847	0.9
185.02451	3.2
187.00372	1.1
187.03941	0.6
189.01958	5.5
190.02715	2.1
191.03488	3.2
199.00357	2.0
200.01189	1.2
201.01945	6.0
202.02531	0.4
203.03548	3.2
205.01421	0.6
213.01927	1.2
214.99829	1.5
216.00717	1.9
217.01427	7.4
218.02112	0.9
219.03027	1.4
226.99989	2.9
228.00670	0.7
228.99178	0.5
229.01447	8.0
230.01950	0.8
230.99400	0.5
231.02963	2.7
233.00867	0.4
242.99323	1.4
243.02924	0.4
244.00056	1.7
245.00926	11.8
246.01532	1.2
247.02504	3.5
249.04092	2.7
254.99300	0.8
257.00888	3.6
258.01581	0.7
259.02451	0.9
259.99631	0.6
261.00372	2.3
263.01971	0.7
270.98837	4.3
271.99564	1.1
273.00449	15.3
274.01062	1.6
275.02008	10.4
276.02441	0.8
277.03473	0.7
283.99695	2.3
286.98557	0.6
287.01892	0.8
288.99994	0.9
291.01620	1.7
298.98358	9.9
299.99130	5.6
300.99915	100.0
302.00226	4.6
303.01575	0.7
305.03052	1.3
314.97827	1.2
316.99371	2.9
331.00830	0.8
346.43167	0.4
349.02005	1.6
445.04169	1.1
463.05109	0.8
585.05750	0.4
603.06525	1.8
613.04767	7.4
614.04883	0.8
631.05750	1.3
663.08759	0.7
717.04413	0.5
885.05597	0.4
933.06427	2.2
965.09198	6.2
966.09180	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	965.0904
Annotation	Unknow
Peak:m/z	Relative Intensity
77.19910	0.3
95.01402	1.4
112.77134	0.3
117.03493	0.9
118.70309	0.3
119.05023	0.6
123.00890	2.4
125.02444	2.2
129.03549	0.4
132.02194	0.5
133.02980	1.5
145.02968	3.8
147.04501	1.5
149.02391	0.5
151.00354	0.6
157.02943	0.9
159.04584	0.7
160.01688	0.4
161.02460	2.8
162.03242	0.5
163.04005	1.5
166.99893	0.9
169.01459	2.0
171.00874	0.4
173.02448	3.7
174.03070	0.3
175.00482	0.3
175.04018	1.3
177.01917	1.0
178.99860	0.6
179.03488	0.5
185.02509	2.4
187.00400	0.6
188.01163	0.3
189.01939	3.9
189.70224	0.3
190.02739	2.2
190.86162	0.3
191.03520	2.0
199.00381	0.7
200.01186	0.7
201.01935	4.9
202.02477	0.7
203.03542	3.1
205.01450	0.7
211.03976	0.3
213.01923	0.8
214.99895	0.8
216.00676	1.0
217.01439	5.9
217.24893	0.3
218.02028	0.7
219.02913	0.8
226.99898	1.3
228.00618	0.9
229.01460	7.0
229.56790	0.3
230.02101	0.4
231.03050	1.8
233.00850	0.5
233.04549	0.3
235.02548	0.4
242.99406	1.7
243.03069	0.4
244.00140	1.1
244.98463	0.7
245.00922	10.6
246.01553	1.0
247.02451	2.1
248.03055	0.5
249.04022	2.4
254.99420	0.6
256.00101	0.4
257.00983	3.8
258.01657	0.8
261.00424	1.3
270.98895	3.9
271.99631	0.8
273.00424	13.9
274.01035	1.9
275.02002	9.3
276.02411	0.5
277.03531	0.4
283.99683	2.5
287.01840	0.5
291.01379	0.7
298.98422	3.9
299.99133	5.6
300.99911	100.0
302.00256	4.6
303.01511	0.8
305.03061	1.3
315.01559	0.4
316.99493	0.9
331.00970	0.8
349.01993	1.2
394.86398	0.3
445.04120	1.4
463.05035	2.0
493.06592	0.4
631.06049	0.5
933.06726	3.1
950.08093	0.3
965.08716	3.9
966.09558	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.7147
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20533	4.4
71.05008	1.4
76.98782	0.8
88.98830	0.5
96.95997	1.5
125.02424	0.4
147.06052	0.4
181.72057	0.4
211.13359	0.9
253.35667	0.4
300.99899	0.7
309.20871	0.5
379.29962	0.7
399.32755	0.6
407.33252	9.6
408.33603	1.0
409.34717	3.5
410.34909	0.5
411.32553	0.6
413.34351	3.1
414.34616	0.6
423.32697	1.6
425.34311	1.2
427.35916	1.3
441.34070	0.6
449.30685	1.5
453.28061	0.7
453.33856	5.2
454.34082	0.5
467.31552	3.4
467.78494	0.5
469.33255	27.2
470.33582	3.1
471.34622	1.6
472.35028	1.2
473.36395	100.0
474.36691	13.1
475.36816	2.4
485.32666	0.9
486.33170	1.2
487.34351	24.9
488.34772	3.7
513.32196	4.1
828.73779	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.6547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.33709	0.9
69.90506	0.8
71.14230	1.6
96.96028	0.8
137.47205	0.8
178.17403	0.8
202.29509	0.9
289.21960	1.9
393.27933	3.2
400.38132	0.8
407.29428	4.1
409.30963	4.4
423.32724	100.0
424.33057	9.7
425.34131	3.8
469.33243	55.9
470.33475	6.8
471.34436	1.5
476.07770	0.8
490.36115	1.0
816.34222	1.0
961.65442	89.0
962.65765	18.0
962.84088	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	961.6783
Annotation	Unknow
Peak:m/z	Relative Intensity
69.49390	1.5
69.49816	0.9
96.96019	0.7
188.67311	0.4
286.43246	0.3
468.97781	0.4
473.32758	100.0
474.33102	12.6
475.33569	1.3
485.32761	0.7
486.33142	0.9
487.34323	80.1
488.34668	8.4
584.32629	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5387
Annotation	Unknow
Peak:m/z	Relative Intensity
67.95709	0.6
69.03458	1.3
71.01390	14.5
72.99323	1.2
73.02947	2.5
75.00907	0.7
80.58891	0.6
81.03446	0.8
83.01406	1.6
85.02952	5.2
87.00896	3.5
89.02455	11.8
92.92815	0.7
95.01389	1.2
96.96014	5.9
97.02965	2.6
101.02460	11.9
111.04526	0.7
113.02456	6.5
117.89899	0.6
119.03530	3.2
125.02448	5.0
141.01762	0.7
143.03479	1.7
151.98328	0.6
161.04558	3.9
167.10782	0.9
167.14433	0.9
179.05669	3.0
180.60469	0.7
183.13902	7.7
184.96822	0.6
193.12329	1.5
204.87624	0.6
211.13408	100.0
212.13782	3.7
217.07147	0.8
221.06717	1.0
234.58475	0.7
235.08157	3.6
240.91237	0.8
272.93851	0.7
277.21741	42.9
278.22064	2.3
287.07822	1.6
300.79132	0.6
305.08826	2.6
323.10056	0.6
379.12537	11.2
397.13553	35.7
398.13947	1.3
415.14627	6.4
514.48254	0.7
591.26617	8.6
592.26910	0.8
609.27661	9.0
657.34906	1.9
675.36053	3.1
869.49274	1.5
918.51422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	961.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03458	1.2
71.01391	16.3
72.99300	1.1
73.02950	2.5
75.00828	0.7
83.01388	1.5
85.02959	4.1
87.00890	4.0
89.02457	15.4
95.01383	0.9
96.96010	2.1
97.02958	2.9
99.00888	1.2
101.02454	12.8
105.99381	0.6
108.00534	0.7
109.45256	0.7
113.02460	6.5
119.03514	4.0
125.02468	6.6
131.03455	0.9
143.03491	2.8
161.04565	3.4
179.05635	3.8
181.56679	0.7
183.13875	6.5
193.12373	1.9
199.06155	1.0
211.13412	100.0
212.13730	4.4
217.07178	0.7
221.06688	1.9
222.08017	0.6
235.08244	5.3
259.08365	1.2
277.21744	57.5
278.22052	3.5
287.07687	1.8
305.08725	2.0
321.83752	0.6
323.09723	1.6
379.12469	13.6
379.16916	1.2
397.13528	41.0
398.14050	2.2
415.14578	8.3
591.26526	7.5
592.27051	1.2
609.27686	6.4
610.28699	0.9
657.34753	3.5
675.35553	4.2
780.71118	0.7
869.49133	1.8
911.63715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.6993
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68209	0.2
71.57160	0.2
71.57607	0.3
81.45609	0.2
81.57536	0.2
140.20375	0.2
329.85272	0.2
373.82275	0.2
443.35278	0.2
469.33099	0.5
471.34808	100.0
472.35175	10.5
473.35278	0.2
487.34341	1.1
614.95374	0.2
690.62207	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.5997
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	3.2
71.05035	0.5
71.56241	0.6
73.02961	1.9
77.07512	0.4
83.01405	0.6
85.02960	1.9
89.02438	1.0
95.57446	0.4
96.96008	1.5
99.00855	0.7
101.02452	2.8
104.84612	0.4
113.02451	1.6
161.04605	0.9
169.01436	0.4
184.53636	0.5
269.49640	0.4
301.00006	1.1
319.21274	2.2
390.23975	0.5
401.27643	0.5
407.29501	0.5
415.32318	0.6
421.31076	1.2
440.32300	0.4
441.33957	2.5
443.31665	0.9
451.25522	24.2
452.25842	2.0
457.33429	0.9
458.33600	0.8
459.34674	1.6
485.32809	12.4
486.32956	1.0
501.32385	6.3
502.32617	8.9
503.33801	100.0
504.34094	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	955.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
69.44302	0.2
79.95736	1.3
95.05056	0.3
96.96023	67.0
97.06580	0.3
99.69639	0.2
123.00912	0.4
125.02444	0.5
135.08183	0.4
145.02992	0.3
146.03293	0.2
146.15793	0.2
147.08203	0.9
161.02388	0.3
163.04059	0.3
165.09212	0.4
169.01407	0.4
173.02473	0.4
175.04051	0.4
177.01988	0.4
189.01936	0.3
191.03516	0.4
201.01852	0.4
203.03668	0.5
207.10184	0.3
217.01395	0.4
222.60820	0.3
225.11339	20.9
226.11702	0.9
229.01402	0.4
234.59196	0.2
237.33121	0.2
237.85941	0.2
245.00978	0.7
246.01242	0.4
247.02467	0.8
249.03963	0.3
257.01050	0.3
263.02548	0.2
270.88998	0.2
270.98932	0.3
273.00348	0.9
274.00931	0.5
275.02106	1.3
277.02417	0.3
280.62375	0.2
299.98984	0.5
300.99918	3.8
301.02896	0.2
302.00204	2.7
303.00397	2.6
304.00595	1.1
305.07025	100.0
306.07355	4.3
354.74991	0.2
452.25778	0.2
465.06244	0.2
937.08014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.3091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.19159	3.4
69.19589	3.3
71.01379	2.6
72.99301	0.7
75.37963	0.7
85.02997	1.1
89.02452	0.9
91.01910	0.8
95.01408	1.4
98.20667	1.4
99.00898	0.8
101.02460	0.8
107.01408	3.7
111.00880	1.7
113.02463	1.1
123.00915	4.8
124.01676	1.9
125.02454	25.5
126.02737	0.7
136.98741	0.9
137.02455	2.7
137.09668	1.6
139.00366	3.7
140.01187	3.1
145.02977	0.7
147.00746	0.8
151.00400	3.1
163.00372	2.2
165.01927	2.5
167.03477	0.9
168.00661	12.6
169.01447	37.0
170.01666	1.1
173.02408	0.8
177.01871	0.7
185.02457	1.1
189.02037	0.7
191.03484	1.3
201.01831	0.9
203.03416	1.1
209.00888	1.4
210.01141	0.7
211.02505	63.3
212.02855	1.7
215.41974	0.6
217.01393	1.3
229.01474	1.3
231.03055	1.0
241.03542	2.0
245.00771	0.9
249.04065	1.4
257.00821	1.3
271.04605	100.0
272.04980	4.2
273.00421	2.1
275.01968	2.1
276.02234	0.7
283.99704	1.1
285.03958	1.3
298.98380	0.7
299.99088	1.1
300.99915	31.3
301.03357	1.6
302.00244	14.3
303.00388	7.5
331.06726	32.5
332.07187	1.4
411.04376	0.7
521.20319	83.1
522.20630	9.3
607.08667	0.9
909.10693	1.0
953.07672	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	953.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04512	1.0
66.36626	0.9
67.01904	1.1
69.03473	1.2
69.62579	2.8
69.62988	3.6
85.03001	1.1
95.01388	7.6
97.02950	1.6
98.20614	2.3
101.99522	1.1
107.01395	5.9
111.00890	2.1
117.03479	4.8
119.05013	1.2
121.02972	1.7
123.00902	13.2
125.02461	39.3
129.03531	1.7
133.02960	6.4
135.04564	1.9
137.02487	1.2
139.00356	1.2
143.01448	1.8
145.02966	13.0
146.03331	1.5
147.04578	6.4
148.01711	1.4
149.02412	1.4
151.00389	2.3
157.02962	3.5
159.04494	1.4
160.01755	1.3
161.02472	14.5
163.00404	3.1
163.04048	8.9
165.01999	1.4
166.99889	3.4
168.00641	2.6
169.01440	43.0
170.01721	2.1
171.00877	5.0
172.01706	1.4
173.02466	17.7
174.03047	1.3
175.00386	1.5
175.04018	4.7
177.01918	3.5
179.03537	2.9
185.02440	3.8
187.00328	1.1
188.01234	1.9
189.01955	18.0
190.02686	3.1
191.03519	11.6
193.01498	1.6
193.94507	1.0
199.00383	3.8
200.01160	3.4
201.01921	11.1
203.03540	5.4
205.01430	1.9
209.00853	2.2
211.02515	1.8
213.01846	1.3
214.99915	2.4
215.03343	1.1
216.00635	3.8
217.01436	29.9
218.01968	3.1
219.03017	6.6
226.99927	5.0
228.00618	2.1
229.01440	16.1
230.02057	2.4
231.02931	5.0
233.00891	2.4
242.99400	3.2
244.00128	3.2
245.00917	47.6
246.01338	4.3
247.02466	22.1
248.02795	1.7
249.03940	1.9
254.99265	1.7
257.00858	6.1
258.01624	2.4
261.00406	8.3
263.02057	1.1
264.04358	1.1
264.84637	1.1
270.98859	9.7
271.99344	2.6
273.00433	93.7
274.00879	10.0
275.02063	14.3
276.02380	1.7
283.99680	3.0
288.99921	3.6
291.01575	5.8
295.04593	2.5
298.98361	18.2
299.99060	15.7
300.99908	100.0
302.00287	17.4
303.00510	6.6
313.05521	3.3
316.99387	24.9
317.99524	1.3
343.01068	1.3
447.06018	1.5
465.06891	5.5
597.05298	1.3
609.29578	1.2
615.06464	2.4
617.07849	24.8
618.08154	2.3
747.04706	1.6
749.06378	7.5
750.06598	1.5
765.05908	1.7
767.07373	11.5
768.07178	1.8
783.07434	1.3
909.09875	1.7
917.07495	8.1
935.07990	30.6
936.08374	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	953.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	1.3
70.25449	4.2
71.47020	1.2
84.85531	1.1
89.03976	1.3
95.01392	6.8
105.03466	1.9
107.01398	6.6
114.00696	1.1
117.03487	3.7
119.05053	2.1
123.00901	12.5
125.02460	33.5
126.02742	1.3
129.03554	1.3
133.02982	5.1
135.04524	1.5
137.02534	1.2
139.00458	1.9
140.01170	1.8
143.01385	2.1
145.02959	13.2
145.04025	1.7
147.04550	5.3
149.02422	2.2
151.00357	2.1
157.02963	2.9
159.04572	2.0
159.23975	1.1
161.02458	13.9
163.00360	1.7
163.03990	6.2
165.01994	1.4
166.99905	2.9
168.00662	3.0
169.01427	37.5
170.01736	1.8
171.00885	2.6
173.02422	15.6
175.04001	5.7
177.01949	3.0
179.03551	2.7
183.17075	1.1
185.02422	3.7
189.01942	17.5
190.02667	3.7
191.03531	11.0
193.01474	2.0
199.00372	1.5
200.01118	1.5
201.01945	11.3
203.03491	4.5
205.01402	1.6
211.02432	1.1
213.01843	1.0
214.99951	1.8
216.00706	1.6
216.99420	1.9
217.01436	24.9
218.02031	3.0
219.02943	7.1
226.99858	4.9
228.00682	1.9
229.01407	14.3
230.01956	2.1
231.02885	2.0
233.00876	1.5
235.02271	1.5
242.99348	2.2
243.99994	3.5
245.00912	46.0
246.01379	2.7
247.02481	18.3
248.02737	2.0
254.99390	1.9
255.03130	1.3
257.01099	7.1
257.03461	1.2
257.04477	1.0
258.01401	1.5
259.02478	1.1
261.00412	6.3
263.01852	2.6
270.01523	1.4
270.98862	8.6
271.99570	2.1
273.00433	100.0
274.01028	7.7
275.02020	12.9
276.02182	2.2
283.99701	1.8
288.99875	4.3
291.01395	5.1
295.04810	2.3
298.98352	15.8
299.99115	12.5
300.99921	80.8
302.00311	11.0
303.00488	5.0
313.05899	1.6
316.99405	24.6
327.01413	1.5
465.06665	6.1
597.04712	1.5
615.06171	1.7
617.07788	26.0
618.08246	2.4
749.05835	7.4
767.07471	10.5
768.09222	1.4
917.07019	8.5
935.07849	30.4
936.08789	4.7
953.07904	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52296	3.7
69.52705	1.6
69.79742	0.7
71.01335	0.7
90.79530	0.7
95.01385	1.5
107.01379	1.8
109.02972	1.6
119.05008	0.8
121.02979	0.9
123.00872	1.8
125.02439	3.3
130.08768	5.2
131.09123	0.9
133.02963	8.8
135.04532	6.8
137.02460	1.2
145.02954	4.0
147.04555	1.2
149.02487	1.7
150.03250	0.7
151.00403	4.8
153.01952	0.9
157.02939	0.8
161.02441	5.4
163.00313	0.9
163.03996	1.9
165.01859	1.0
166.99930	0.7
168.00652	0.7
169.01445	4.1
171.28558	0.7
173.02437	3.0
175.03978	3.2
177.01950	1.4
179.03528	4.9
185.02484	1.4
189.01892	2.0
191.03494	1.2
199.03979	1.7
201.01988	4.0
203.03487	2.1
209.00880	1.0
217.01410	3.5
217.05064	1.8
218.02034	0.8
226.99889	1.0
228.00543	0.6
229.01430	3.5
231.03029	1.3
243.02995	0.9
245.00969	6.1
246.01433	1.0
247.02481	3.1
247.04939	0.8
257.00824	1.5
261.00555	1.0
266.23679	0.7
270.98868	2.1
273.00412	12.8
274.00995	1.1
275.01941	4.0
283.99646	0.9
285.04074	100.0
286.04370	5.9
298.98401	2.4
299.99078	3.5
300.99921	50.2
302.00348	3.9
316.99402	2.8
323.07632	1.8
344.64954	0.7
427.03235	0.8
445.04333	0.9
447.09323	16.6
457.17245	1.0
463.05157	1.5
502.26553	4.7
503.11661	4.8
503.27191	3.3
504.13190	0.9
546.76013	0.7
678.07257	0.8
907.06970	1.3
910.36658	0.9
919.10028	1.2
933.06726	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	951.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	0.6
71.57552	0.5
77.24704	0.3
85.02914	0.3
89.02451	0.3
96.96027	2.0
99.37354	0.2
100.26361	0.3
101.02484	0.4
117.03510	0.4
119.05035	0.4
121.02901	0.4
123.00882	0.7
125.02428	0.4
145.02953	1.4
150.03207	0.4
157.02989	0.8
161.61932	0.3
163.04088	0.5
165.05663	0.4
169.01445	0.3
171.10275	0.3
173.02455	1.4
185.02449	1.8
189.01965	0.8
191.03584	0.8
200.01088	0.3
201.01981	2.6
209.11876	1.5
211.13387	0.3
213.01991	0.3
217.01477	0.8
225.11290	0.5
226.99838	0.8
229.01422	3.6
231.02899	0.3
245.00920	2.2
247.02487	1.0
257.00943	1.8
270.98969	0.7
273.00598	1.5
275.02051	0.9
283.99667	2.7
298.98376	0.9
299.99170	2.7
300.99918	100.0
302.00266	5.5
327.21820	1.0
397.13498	0.4
415.15082	0.3
487.34296	0.7
626.23431	0.3
766.07300	0.4
773.04346	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0751
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57480	0.5
87.00878	0.4
89.03986	0.3
91.01900	0.5
93.03468	0.5
93.46038	0.2
95.01399	0.7
97.02972	0.2
99.00896	0.6
99.79006	0.2
101.03984	0.3
105.03458	0.3
107.01389	0.6
108.02116	0.2
109.02981	1.3
113.02457	0.4
117.03461	0.6
119.01399	0.4
119.05080	0.5
121.02972	0.7
123.00897	2.1
125.02472	3.4
129.03465	0.7
131.05046	0.4
133.02953	0.8
135.00900	0.4
135.04546	0.5
137.01462	0.4
137.02457	4.5
137.55907	0.2
139.71553	0.2
145.02989	2.0
147.00894	1.2
147.04521	0.9
149.02466	1.0
151.03969	0.3
157.03001	1.2
159.04512	0.8
160.01659	0.3
161.02440	1.3
163.00391	4.6
163.04033	1.6
164.01106	0.5
165.01955	5.5
165.05573	0.3
166.99834	0.4
169.01439	4.2
173.02425	2.3
174.03046	0.2
175.00400	1.0
175.04015	1.6
177.01991	2.3
178.99800	0.5
179.03490	0.3
185.02483	2.5
189.01970	1.7
190.02769	0.8
190.99881	0.9
191.03506	2.3
193.01357	0.4
194.99336	0.2
199.00484	0.4
200.01189	0.3
201.01978	3.3
201.65317	0.2
202.02618	0.4
202.99869	0.7
203.03525	3.1
205.01541	0.4
206.99428	0.3
208.00131	0.8
209.00934	8.0
211.02463	0.9
213.01849	0.5
214.02763	0.3
216.00648	0.5
217.01469	2.2
219.03012	1.7
221.00966	1.0
226.99861	0.7
227.03474	0.3
228.00688	0.4
229.01430	6.8
230.02055	0.3
231.03012	1.9
233.00822	0.4
242.99368	0.5
243.99878	0.5
245.00912	5.1
246.01511	0.4
246.98984	1.6
247.02487	3.5
248.03313	0.6
249.04066	2.7
254.99399	0.5
257.00922	3.9
258.01660	0.6
261.00464	0.4
265.03629	0.3
268.03784	0.4
269.01062	0.3
269.04568	0.7
270.98770	0.8
271.04611	1.0
271.99551	0.4
273.00427	5.3
274.01077	1.0
275.01990	8.0
276.02380	0.3
282.98795	0.5
283.99677	2.6
285.00287	0.7
285.03979	0.6
291.01453	1.3
298.98489	1.1
299.01404	0.2
299.99182	3.8
300.99908	100.0
302.00275	5.3
311.04141	0.7
311.99106	0.6
312.99951	3.0
324.36465	0.2
330.79184	0.2
335.00443	0.5
335.04214	0.4
353.05075	0.6
364.79706	0.2
395.06503	0.4
428.06470	0.3
431.09613	0.3
435.05804	2.0
436.05933	0.3
439.05182	0.4
445.04120	0.4
453.06790	1.6
463.05139	0.7
475.05389	3.4
479.04660	0.3
505.06378	2.2
517.06024	0.6
521.20496	0.5
522.20142	0.4
605.07935	3.1
649.06689	0.5
697.07104	0.5
755.07233	0.5
807.05908	0.4
819.07239	0.4
907.08453	2.7
908.09027	0.6
922.29443	0.3
951.07391	3.7
952.07745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
69.65674	3.1
69.66048	1.2
95.01380	1.1
100.78625	0.5
100.91315	0.5
109.79777	0.5
117.03448	1.6
119.05033	0.7
123.00878	2.0
125.02450	2.1
133.02972	1.9
135.04523	0.9
144.33885	0.5
145.02953	5.4
147.04547	1.6
152.41803	0.5
157.02995	1.0
159.04491	0.6
161.02463	2.4
163.04036	2.5
166.99858	2.2
169.01379	1.3
171.00856	0.7
173.02438	4.2
175.03978	1.8
176.65456	0.5
177.01987	1.3
185.02443	2.4
187.00337	0.6
189.01941	4.3
190.02614	1.0
191.03522	3.3
199.00388	0.9
200.01128	0.9
201.01938	5.4
203.03520	2.6
205.01434	0.7
213.01901	0.9
213.12152	0.5
216.00687	1.0
217.01451	5.8
219.03011	1.8
226.99892	1.0
229.01424	6.4
231.02971	2.0
242.99319	1.6
244.00107	0.8
245.00937	10.5
246.01405	0.7
247.02501	7.6
248.03091	0.8
249.03995	2.2
257.00992	3.5
261.00418	0.8
270.98843	5.2
272.97491	1.2
273.00430	21.0
274.01041	1.9
275.01978	8.9
283.99600	3.1
291.01505	2.2
298.98358	8.6
299.01599	0.4
299.99109	6.5
300.99905	100.0
302.00256	5.1
312.90430	0.6
316.99487	1.8
343.00708	0.7
445.03906	3.3
446.04791	0.8
461.03894	1.3
463.05222	3.9
546.79773	0.6
613.04749	1.3
615.06110	1.3
631.05487	0.8
740.79358	0.7
765.05640	1.5
891.53638	0.6
933.06531	7.6
934.07495	1.4
951.07690	1.8
978.21259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0748
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01394	2.0
98.20642	1.3
105.03506	0.4
107.01447	0.4
117.03468	1.6
119.05022	0.8
121.02934	0.6
121.20215	0.5
123.00885	2.2
124.01680	0.5
125.02484	2.0
129.03528	0.5
131.05096	0.4
133.02980	1.7
135.04518	0.9
137.02449	0.5
138.10504	0.4
145.02994	4.2
147.04478	1.3
157.02965	1.3
159.04533	0.7
161.02432	2.9
163.00369	0.4
163.04041	1.4
164.12828	0.4
165.01936	0.8
166.99800	1.8
169.01395	1.5
171.00789	0.6
171.04506	0.4
173.02466	4.7
175.04008	2.3
177.01877	1.5
185.02438	2.8
186.00824	0.4
187.00446	1.0
189.01939	4.1
190.02585	1.1
191.03503	3.9
199.00351	1.2
200.01195	0.8
201.01933	4.5
203.03551	2.4
205.01382	0.6
209.00955	0.4
213.01993	0.6
214.99919	1.2
216.00623	0.6
217.01434	5.8
219.03021	1.5
220.92371	0.4
226.99873	1.3
228.00546	0.5
229.01430	6.7
230.02109	0.7
231.02988	1.5
242.99367	1.5
244.00084	1.0
245.00926	12.4
246.01410	1.0
247.02455	7.9
249.04012	2.5
249.90446	0.4
257.00925	3.8
258.01624	0.9
258.53104	0.4
261.00424	1.0
270.98917	6.3
271.99643	0.9
273.00436	20.5
274.01028	1.9
275.02011	10.0
283.99661	2.3
288.99667	0.4
291.01456	1.6
298.98346	8.9
299.01773	0.5
299.99124	7.6
300.99911	100.0
302.00232	4.6
316.99356	2.5
365.07657	0.5
404.73956	0.5
445.04147	3.0
461.03574	0.8
463.05240	4.1
464.05655	0.5
475.79349	0.5
603.06696	0.7
613.04919	1.8
614.05847	0.6
615.06818	0.8
631.05786	0.6
765.05676	1.6
905.06073	0.4
915.04895	1.3
933.06512	7.1
934.07184	1.7
951.08173	1.9
952.08893	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.075
Annotation	Unknow
Peak:m/z	Relative Intensity
68.31059	0.5
74.53664	0.4
80.48831	0.4
93.03437	0.4
95.01391	1.3
105.03466	0.5
117.03463	2.0
119.05025	0.7
123.00902	2.7
125.02464	2.9
129.03494	1.0
132.02171	0.6
133.02965	2.3
137.02457	0.5
145.02957	4.2
147.04568	2.3
149.02423	0.7
156.02100	0.4
157.02971	1.2
159.04617	0.6
160.01709	0.5
161.02452	4.0
163.00360	0.8
163.04010	2.7
163.07095	0.4
164.01138	0.5
166.99838	1.2
169.01503	2.2
169.02773	0.6
171.00839	0.6
172.01663	0.7
173.02469	5.6
175.04002	2.6
177.01971	1.2
179.03514	0.5
185.02475	2.5
187.00366	0.7
189.01955	5.2
190.02710	1.7
191.03522	3.8
193.01439	0.8
199.00432	1.0
200.01105	0.7
201.01967	5.1
202.02562	0.6
203.03481	3.3
207.02867	0.5
213.01967	0.8
214.99930	1.0
216.00685	0.7
217.01424	7.6
218.02127	0.8
219.02995	2.9
226.99872	1.6
228.00580	0.8
229.01416	8.2
230.02065	0.5
231.02919	2.2
242.99358	1.4
244.00003	1.4
245.00935	11.3
246.01248	0.8
247.02490	9.5
248.02948	0.9
249.04065	2.0
254.99202	0.6
257.00897	4.8
258.01596	0.8
261.00348	1.3
263.02078	0.5
270.98920	5.2
271.99454	0.7
273.00436	18.9
274.01178	2.2
275.02011	10.5
276.02258	0.5
283.99615	3.1
285.00165	0.6
291.01486	2.0
298.98373	7.8
299.99121	7.1
300.99918	100.0
302.00247	5.9
316.99503	2.0
435.05658	0.8
445.04099	2.2
461.03436	0.7
463.05173	3.4
613.04620	2.6
615.06165	0.9
631.06091	0.7
765.06097	1.5
889.06458	0.6
907.09155	0.6
915.05951	0.6
933.06561	5.0
934.07208	1.0
951.07776	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91063	14.9
69.39850	71.0
69.40273	46.1
69.44958	14.1
75.71359	13.3
84.80544	13.2
96.96030	25.2
106.62152	13.8
109.26974	16.0
128.87126	14.4
195.96521	12.9
266.35287	14.1
471.34937	100.0
472.35318	96.8
473.35721	65.7
474.35675	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.0752
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01403	1.8
98.19857	1.0
107.01479	0.4
117.03477	1.7
119.05035	0.5
123.00917	2.4
125.02458	1.8
129.03482	0.8
131.01346	0.4
133.02953	1.4
137.02425	0.5
141.03426	0.4
145.02980	4.3
147.04579	1.6
149.02489	0.6
151.00327	0.4
157.02963	1.1
159.04602	0.7
159.42798	0.3
161.02448	2.8
163.00397	0.4
163.04016	2.4
166.99873	1.4
169.01489	1.6
171.00883	0.7
172.01704	0.4
173.02451	5.2
174.03059	0.5
175.00446	0.3
175.04039	2.0
176.01120	0.4
177.01915	1.3
179.03555	0.5
185.02429	3.0
187.00397	0.7
187.04083	0.6
189.01968	4.0
190.02672	1.3
191.03490	3.5
192.00626	0.4
199.00372	0.7
200.01140	0.7
201.01971	4.7
203.03548	3.0
205.01442	0.8
213.01913	0.7
214.23810	0.3
214.99905	0.9
216.00607	1.0
217.01433	5.5
218.02040	0.5
219.02982	1.8
221.04518	0.3
226.99818	1.4
228.00545	0.8
229.01416	7.9
229.04854	0.4
230.02000	0.5
231.03033	2.1
233.00841	0.4
233.39684	0.4
235.02435	0.5
242.99377	1.5
244.00171	1.1
245.00941	10.7
246.01543	0.6
247.02486	9.2
248.03188	0.4
249.04083	1.5
254.99280	0.5
257.00934	4.2
258.01559	1.0
259.02466	0.5
259.99585	0.3
261.00412	1.1
270.98877	5.5
271.99564	0.8
273.00436	19.3
274.00986	1.8
275.01993	10.2
276.02368	0.5
283.99673	2.6
289.00040	0.4
291.01563	1.7
298.98380	8.3
299.99094	8.1
300.99915	100.0
302.00220	4.9
312.99875	0.7
315.01593	0.6
316.99387	1.8
343.01132	0.7
435.05646	0.6
445.04123	2.7
461.03595	1.0
463.05215	5.0
480.03464	0.4
613.04779	0.9
615.06659	0.9
729.03601	0.4
765.05634	1.6
897.03168	0.7
907.08923	0.8
915.05695	1.2
933.06482	6.6
934.06927	0.8
951.06946	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	947.6975
Annotation	Unknow
Peak:m/z	Relative Intensity
71.11100	0.8
86.38994	0.4
96.96052	0.6
98.59032	0.4
108.82225	0.5
118.78394	0.5
175.02478	0.6
235.27826	0.4
308.65070	0.4
458.30124	0.5
459.30795	0.6
469.33191	1.3
485.32990	1.0
486.33005	1.9
487.34320	100.0
488.34720	10.9
629.82751	0.4
708.30652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	15.6
71.57423	20.8
96.13511	13.6
96.46308	13.9
96.96024	28.8
100.28740	14.9
123.13922	15.6
125.68462	15.3
136.03371	16.3
159.68614	14.3
209.11868	28.9
250.65129	14.8
257.42361	17.0
265.53323	14.6
270.89960	17.0
354.24942	14.8
449.71155	15.3
471.34784	100.0
472.35178	77.3
473.35623	73.4
474.35754	37.6
475.35461	23.7
648.35907	19.9
905.18872	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	946.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	11.6
71.56875	7.9
71.57238	11.1
88.47974	7.4
97.02973	9.2
97.06597	8.7
101.02467	8.1
109.06548	9.4
109.16350	8.8
111.62072	8.1
116.92881	38.3
140.46977	9.0
207.10245	20.9
208.10561	20.0
209.11960	9.3
225.11383	10.6
226.11714	8.9
233.10027	8.0
277.21735	34.6
278.21982	27.2
306.99838	8.2
353.34109	10.5
397.13647	21.8
398.13965	9.7
399.13699	8.6
441.33618	13.7
451.32309	30.6
453.33701	100.0
454.34030	47.2
485.36395	60.5
486.36636	24.9
497.32565	10.2
553.33185	7.8
862.50018	8.0
885.48053	10.1
886.47797	37.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.466
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01391	54.5
74.82064	13.1
85.02969	11.4
89.02475	43.4
96.96006	12.8
97.02978	21.1
101.02454	34.4
109.06599	55.0
113.02454	19.7
116.92890	35.1
134.81073	12.9
135.90025	11.4
163.11322	43.4
207.10286	100.0
208.10626	56.1
209.11812	41.8
210.12349	14.9
225.11349	26.9
226.11617	24.0
227.12798	15.8
235.08340	20.6
253.84883	14.9
277.21686	88.5
278.22098	33.1
279.22226	18.1
365.00189	12.3
373.72989	13.7
379.12674	12.9
397.13651	41.8
398.14053	29.1
399.13889	16.2
556.09155	13.3
885.46948	21.6
886.47638	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.3045
Annotation	Unknow
Peak:m/z	Relative Intensity
69.48849	3.6
71.01382	2.2
72.99284	0.5
83.01376	1.1
85.02955	1.0
89.02466	0.5
90.39732	0.5
90.81647	0.5
93.03474	3.2
95.01391	1.2
101.02451	0.8
106.96922	0.4
107.01360	2.7
111.00906	1.1
113.02436	0.8
123.00904	10.0
125.02460	14.8
133.93867	0.4
136.98804	0.6
139.00375	3.1
139.56976	0.5
140.01169	2.7
141.01985	1.2
151.00369	6.3
153.01965	1.2
154.94527	0.5
168.00676	3.7
169.01440	21.3
177.03986	0.8
179.86136	0.5
193.86533	0.5
205.12358	0.8
210.01372	0.5
211.02480	4.2
215.66957	0.5
226.82474	0.5
271.04636	3.7
300.99951	1.5
313.05756	3.1
407.09839	22.8
408.10190	1.6
537.19812	100.0
538.20074	10.6
641.46411	0.5
668.41815	0.6
913.22815	0.6
942.01971	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7046
Annotation	Unknow
Peak:m/z	Relative Intensity
70.46519	0.5
70.46883	1.1
72.62822	0.3
91.83392	0.4
93.22944	0.3
96.37238	0.3
96.46490	0.3
96.96011	0.9
97.06602	2.5
98.73712	0.3
108.69055	0.3
114.79194	0.3
147.31584	0.3
179.05923	0.4
187.13165	0.4
197.07889	0.3
233.53273	0.4
292.52322	0.3
300.99802	0.6
376.58423	0.4
389.28571	1.0
391.30234	3.2
405.31790	2.9
407.33313	6.0
408.33319	0.6
423.28909	0.4
437.30389	0.6
439.32019	0.7
441.33884	2.4
451.32205	9.1
452.32471	0.8
453.33780	43.6
454.34116	4.8
471.34882	100.0
472.35260	8.9
493.60971	0.3
497.32898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	945.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
69.35505	1.3
89.29605	0.1
96.96037	0.2
102.32640	0.2
116.02637	0.1
116.63023	0.1
117.03473	0.3
121.02966	0.2
122.06138	0.4
129.03476	0.3
133.02959	0.4
145.02960	1.2
147.04555	0.2
152.07153	0.4
157.02936	0.6
161.02414	0.2
163.03981	0.3
172.01665	0.2
173.02478	1.4
185.02492	1.9
189.01959	0.2
200.01129	0.3
201.01939	2.0
213.01788	0.2
217.01433	0.4
226.99873	0.6
228.00600	0.3
229.01439	3.3
230.01723	0.2
240.00708	0.2
243.99921	0.2
245.00946	1.3
254.99321	0.4
257.00931	1.6
283.99625	2.7
299.99100	2.1
300.99905	100.0
302.00238	4.9
344.52084	0.2
421.21988	0.2
611.25116	0.6
643.27869	0.5
952.19452	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7036
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32892	1.0
69.33302	0.3
80.44803	0.2
104.64001	0.1
107.84391	0.2
113.12135	0.2
130.38753	0.1
153.73030	0.2
218.49672	0.2
222.51709	0.1
361.30722	0.2
471.34818	100.0
472.35165	9.8
472.42276	0.2
473.19763	0.2
645.10065	0.2
665.51404	0.2
914.30475	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7038
Annotation	Unknow
Peak:m/z	Relative Intensity
71.05038	0.2
71.13763	0.2
71.14083	0.2
96.11081	0.2
96.96010	0.2
97.06599	1.8
97.20951	0.2
98.19782	0.2
125.26186	0.2
133.32210	0.2
209.11792	0.2
209.95200	0.2
217.30042	0.2
255.59711	0.2
259.86298	0.2
277.21664	0.2
300.99774	0.3
359.88553	0.2
375.27271	0.4
389.28592	0.5
391.30115	2.2
392.30194	0.2
405.31635	2.1
407.33243	4.7
408.33502	0.5
409.34744	0.2
423.29172	0.6
430.55994	0.2
437.30603	0.4
439.32178	0.3
441.33646	1.4
451.32236	6.7
452.32834	0.6
453.33762	31.9
454.34094	3.3
469.33136	0.3
470.33856	0.5
471.34814	100.0
472.35165	10.2
485.32214	0.2
497.33072	0.2
735.68854	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.7041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32533	1.3
86.64046	0.1
194.60603	0.1
200.94479	0.2
405.45322	0.2
471.34814	100.0
472.35135	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	943.7034
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79068	0.2
71.01348	0.1
77.17528	0.1
88.98849	0.2
96.96007	0.1
130.73648	0.1
133.12373	0.1
143.63055	0.1
152.58829	0.1
195.61723	0.1
222.57607	0.1
225.11374	0.1
376.14993	0.1
393.31580	0.3
423.32761	0.8
424.32935	0.4
425.33218	0.1
469.33063	0.8
470.33655	1.2
471.34790	100.0
472.35135	9.9
472.42255	0.2
543.20477	0.1
675.27441	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	941.6877
Annotation	Unknow
Peak:m/z	Relative Intensity
70.35520	1.0
80.38899	0.3
84.49451	0.3
96.96022	0.8
111.57806	0.3
128.29678	0.3
137.45030	0.3
149.67850	0.3
218.04622	0.4
218.50279	0.3
227.12628	0.3
254.95097	0.3
277.21878	0.4
309.11444	0.3
397.13705	0.4
469.33255	0.9
471.34824	100.0
472.35162	9.7
617.72784	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99303	0.2
81.56356	0.2
84.73443	0.2
88.98801	1.1
96.95995	1.1
117.03454	0.3
122.06123	0.6
125.02564	0.2
128.98553	0.2
133.02896	0.2
134.06189	0.2
145.02969	1.0
146.83237	0.2
147.04491	0.4
152.07176	0.7
157.03003	0.6
163.03989	0.3
170.85921	0.2
173.02419	0.9
185.02481	2.0
189.01982	0.5
200.01242	0.2
201.01984	2.1
213.01964	0.3
213.10301	0.5
217.01468	0.2
226.99869	0.7
229.01413	2.9
230.02000	0.2
239.11838	0.2
241.13452	0.3
242.17184	0.2
245.00928	1.3
257.01004	1.5
273.00290	0.3
283.99658	3.0
285.00192	0.2
285.03979	0.3
285.12463	1.3
299.99100	2.4
300.99905	100.0
301.96951	0.4
302.00241	5.9
343.77020	0.2
358.15598	0.4
375.45236	0.2
565.24591	1.2
609.23553	3.1
610.23718	0.5
641.26007	2.0
642.09229	0.3
642.26166	0.4
664.17834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03453	3.0
70.28802	3.8
70.29166	3.2
71.01389	19.2
72.99333	2.1
73.02956	2.5
83.01397	1.6
85.02967	3.6
87.00899	4.5
89.02451	15.2
95.01401	2.3
96.96024	1.9
97.02965	2.6
99.00907	2.4
101.02442	16.3
113.02455	7.4
115.95445	1.4
116.92899	2.8
119.03525	5.2
125.02457	5.9
142.07945	1.4
143.03525	3.1
161.04602	4.7
167.10809	4.4
172.07903	1.6
179.05641	6.9
179.14404	2.9
183.92697	1.6
195.13832	9.7
205.12308	10.9
209.11841	1.8
221.06641	2.6
223.13408	100.0
224.13780	4.7
235.08270	4.3
267.23657	1.9
277.21756	55.9
277.24823	2.8
278.22040	2.6
287.07651	2.9
305.08578	2.2
379.12524	10.3
397.13541	41.1
415.14618	9.8
440.19305	1.7
502.26041	1.6
603.26434	13.9
621.27765	16.2
675.36169	3.4
881.48914	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	939.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95756	1.0
86.63734	0.2
96.96019	64.9
97.06612	0.5
97.95981	0.3
98.19910	0.9
110.03040	0.3
135.08147	0.7
147.08154	1.2
165.09227	0.4
181.12233	0.5
225.11333	22.4
226.11679	0.8
267.43466	0.3
267.47171	0.3
300.99936	1.6
305.07016	100.0
306.07349	5.0
331.15756	0.3
351.62607	0.2
633.06744	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
67.52551	0.6
69.20261	0.6
69.31705	5.2
71.01379	1.5
73.02943	0.9
85.02946	1.1
91.63054	0.7
95.01398	1.6
96.96029	1.6
97.02985	0.7
101.02461	0.9
107.01382	1.8
111.00875	1.0
112.07041	0.6
113.07203	0.7
123.00880	7.3
125.02454	8.0
126.02812	0.7
129.08875	0.6
137.02452	1.3
139.00365	2.3
140.01231	0.9
151.00363	4.1
161.02414	0.8
168.00768	0.9
169.01421	10.4
170.01781	1.2
173.12943	0.7
203.03369	0.7
204.64340	0.7
217.01561	0.7
229.01465	0.9
258.01657	1.1
269.98044	1.6
270.98856	4.5
283.99576	1.3
285.00455	7.5
285.04022	3.8
286.01282	3.1
286.04224	0.9
297.97537	6.6
298.98364	15.4
299.99048	1.4
300.99945	5.4
312.99960	19.0
314.00708	26.6
315.00995	2.0
328.02301	9.7
329.03052	58.6
330.03293	3.5
413.14557	7.6
414.14941	6.8
415.15411	3.5
491.08380	100.0
492.08789	10.6
523.21912	25.0
524.22156	14.7
525.22626	7.1
769.09930	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1125
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01902	2.0
68.99828	0.9
69.03443	2.9
71.01387	1.8
71.57156	1.5
79.01898	1.6
81.03459	0.9
83.01366	1.0
93.03520	1.0
95.01398	15.0
97.02935	2.9
104.91602	0.8
107.01399	8.5
110.00093	1.0
111.00877	3.9
117.03551	1.3
121.02941	0.9
123.00905	36.0
124.01751	2.0
125.02459	88.3
126.02818	1.8
127.00355	1.2
131.05011	1.2
133.94429	0.9
136.98868	1.3
137.02478	1.3
139.00403	6.2
140.01193	5.3
141.01918	2.6
143.05009	1.3
145.02959	2.1
147.04491	1.9
149.02415	1.5
151.00374	2.5
153.01971	1.5
159.04454	1.6
160.04031	0.9
161.02443	4.4
163.04041	2.0
165.01941	1.3
166.99878	15.6
168.00670	9.1
169.01443	100.0
170.01779	3.0
173.02507	1.2
175.03984	1.6
177.01848	2.0
179.03539	2.0
187.04033	1.7
189.01924	1.7
189.05522	2.4
190.99942	0.8
191.03496	2.6
193.01402	3.1
201.01675	1.1
202.02811	0.9
203.03441	2.5
204.00859	0.9
205.01428	3.5
205.04941	1.3
207.03003	1.6
211.02502	5.2
215.03520	1.7
217.01524	2.5
217.04984	2.6
219.03050	1.0
221.00752	1.2
229.01508	1.3
231.02881	1.4
233.04527	3.1
235.02571	1.9
245.00908	1.4
249.04044	1.5
251.05591	1.2
259.02499	1.9
261.04062	1.6
271.04752	0.9
273.00220	1.1
275.01874	1.1
277.03519	5.6
279.05063	2.5
288.99817	3.1
295.04584	4.0
300.99887	9.9
302.00357	2.3
303.00589	1.4
313.05811	4.4
329.29556	0.9
361.16324	1.2
375.35406	1.1
387.07285	1.0
429.04721	1.1
431.06125	3.3
447.05615	4.5
465.06607	3.3
599.06873	4.2
601.08130	1.7
617.07806	10.3
618.08270	1.7
727.41724	0.8
769.08978	52.7
770.09033	8.1
787.09760	6.2
939.11017	17.3
940.11469	3.0
960.80664	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	939.1117
Annotation	1,2,3,4,6-Penta-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
67.01887	3.1
69.01434	0.7
69.03456	2.2
71.01378	1.5
77.02380	0.8
77.70917	1.0
79.01914	2.9
81.03509	1.2
85.02975	1.3
94.51005	0.8
95.01394	13.8
97.02956	3.1
103.46745	0.7
107.01408	8.4
109.02942	0.8
111.00892	3.0
121.02985	0.9
123.00903	34.6
124.01741	4.0
125.02457	84.3
126.02775	2.4
127.00400	1.1
131.05032	0.9
135.04521	1.1
136.98840	2.0
137.02470	1.6
139.00374	6.8
140.01192	7.2
141.01944	1.3
145.02946	2.0
149.02422	1.0
151.00336	2.3
153.01955	0.8
159.04475	1.5
161.02435	4.0
161.99977	0.8
163.04050	1.4
166.99875	12.9
168.00670	11.7
169.01437	100.0
170.01758	2.3
171.04517	0.8
174.03168	1.7
175.03963	1.7
177.01898	2.7
177.05606	1.1
187.04037	2.1
189.01981	0.9
189.05640	1.6
191.03551	3.0
193.01407	3.8
199.04002	0.9
203.03485	1.4
205.01411	3.6
205.05070	3.2
207.02966	1.5
211.02467	3.5
215.03488	1.9
217.05064	3.0
218.02248	1.1
219.03044	1.4
221.00790	1.9
221.04443	1.1
223.02487	1.0
229.76903	1.0
233.04533	2.7
235.02472	1.4
249.03848	1.2
259.02463	1.3
261.04010	3.0
277.03558	3.5
279.05057	2.4
285.04083	1.1
295.04556	3.9
300.99738	1.4
310.78961	0.9
313.05725	4.2
429.04938	1.0
431.06152	2.9
447.05447	5.0
449.77316	1.0
465.06717	4.3
473.57324	0.9
555.57202	1.0
599.07013	3.8
601.08356	2.8
617.07861	9.4
769.08948	53.1
770.09424	6.1
783.36462	0.9
787.09692	5.0
788.10724	0.9
939.11261	18.2
939.28632	0.7
940.10742	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	939.112
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	1.0
67.01888	2.4
69.03462	2.8
69.41927	1.3
69.42335	4.6
71.01389	1.9
72.99277	1.0
79.01911	2.4
81.03448	0.8
85.02983	1.5
95.01400	12.6
97.02963	3.9
101.23854	0.7
102.51394	0.7
105.03437	0.8
107.01398	9.7
107.05035	1.1
109.02991	0.8
110.00131	0.8
111.00918	3.2
113.02429	0.9
118.95011	0.7
121.02976	0.9
123.00001	1.8
123.00904	33.3
124.01759	3.7
125.02465	86.4
126.02780	3.0
129.99823	0.8
131.05048	0.8
135.04472	0.9
136.98860	1.9
137.02487	1.4
139.00397	6.5
140.01172	5.0
141.01942	1.7
145.02965	1.1
147.04475	1.3
148.33359	0.8
149.02463	0.8
151.00397	3.0
153.01959	1.0
159.04485	1.7
160.04051	0.9
161.02429	4.3
161.06168	1.0
163.04030	2.2
164.80650	0.8
165.01915	0.8
166.99864	14.9
168.00662	11.5
169.01447	100.0
170.01802	2.1
171.04555	0.8
173.02467	1.1
175.04002	1.7
177.01999	2.3
177.05591	1.4
179.03477	1.7
187.04050	2.6
189.01907	1.1
189.05600	2.1
190.02835	1.4
191.03505	2.6
193.01443	3.3
199.04102	1.0
203.03548	1.9
205.01456	3.6
205.05113	3.3
207.03038	1.2
211.02473	4.0
215.03517	2.4
217.01537	1.9
217.05104	1.9
218.02470	0.8
221.00941	1.2
221.04655	0.9
233.04527	2.4
235.02441	2.0
235.06155	1.0
243.03012	1.0
247.02505	1.2
249.04237	1.0
259.02438	1.4
261.00421	1.0
261.04138	2.0
273.00354	1.1
275.01938	1.6
277.03632	4.2
279.05197	3.6
288.99957	2.7
295.04596	4.6
300.99905	7.9
302.00259	2.2
303.00381	1.0
312.62305	1.0
313.05710	4.7
325.03909	0.9
429.04404	1.5
431.06250	3.3
447.05652	3.7
449.07422	1.4
465.06467	4.7
565.49323	1.0
599.06726	3.5
601.08313	1.8
617.07928	9.7
618.07971	0.9
769.08966	54.3
770.09326	6.7
787.10217	4.4
788.10260	1.0
873.24127	0.9
939.11023	19.0
939.28101	1.5
940.11713	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
68.98810	5.4
68.99577	89.4
69.90327	18.7
69.90733	13.9
71.01385	14.8
74.52029	5.5
87.07935	5.1
89.02467	13.2
98.20586	7.5
99.92577	8.7
101.02464	14.2
112.98582	85.1
116.92862	74.1
125.02438	9.5
145.48315	5.6
211.13411	100.0
211.15181	9.7
234.91170	6.5
235.08183	6.7
250.31630	6.0
277.21823	53.4
278.22208	6.9
302.82034	6.4
379.12582	14.7
397.13538	39.6
415.14511	9.7
501.94754	6.3
591.26599	16.2
609.27911	17.5
675.35834	7.3
781.88477	6.2
869.47992	10.9
937.49255	45.2
938.49286	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	937.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	16.8
71.27682	8.2
79.20238	5.1
89.02473	15.0
93.59698	4.7
96.96032	9.5
101.02462	10.8
104.45208	5.3
112.98594	9.8
113.02421	5.8
119.03508	5.2
129.36458	5.0
138.55949	5.2
139.09886	5.1
151.42390	5.1
161.04527	7.7
211.13399	100.0
212.13644	7.3
235.08224	7.1
277.21759	57.7
379.12576	15.5
397.13510	59.5
397.46338	5.5
415.14575	8.4
591.26404	14.6
609.27496	13.5
657.35248	9.3
675.36145	9.3
869.48462	16.1
937.49481	54.0
938.49670	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	937.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01889	0.8
68.99835	0.5
69.03473	0.6
69.72220	0.5
71.01389	1.3
72.99303	0.6
74.08174	0.5
79.01898	1.5
85.02951	1.2
86.56551	0.5
95.01405	2.0
96.95977	0.6
97.02995	0.6
107.01408	4.0
109.02951	3.4
111.00890	1.0
113.02457	1.4
117.03468	2.7
119.05042	10.7
119.90175	0.5
121.02961	0.8
123.00912	11.8
123.04407	0.5
124.01691	0.8
125.02462	24.5
126.02813	0.5
131.04945	0.5
133.02953	1.1
133.06604	4.1
135.04503	1.2
136.98805	0.7
137.02475	0.9
139.00383	3.1
140.01167	1.1
141.01962	1.1
141.53841	0.6
145.02974	12.3
147.04504	1.0
149.02509	0.6
151.00385	6.1
151.03941	0.6
153.01929	5.2
153.39868	0.4
157.02957	0.6
159.04529	0.7
160.01747	0.5
161.02495	3.4
161.06091	8.9
161.98993	0.5
163.04025	15.6
165.01874	0.6
168.00656	2.2
169.01445	33.4
170.01797	1.5
171.00844	0.8
173.02477	2.8
175.04030	1.0
177.01944	0.8
177.05627	3.5
179.03494	1.4
187.04152	0.9
189.01941	3.5
190.02679	1.4
191.03542	2.4
193.01495	0.6
200.01289	0.7
201.01994	2.3
203.03474	1.4
205.05064	10.1
211.02480	4.8
217.01445	5.2
218.01865	0.6
219.03018	1.4
223.90205	0.5
229.01376	2.2
230.01563	0.5
231.02837	1.0
235.06142	3.3
243.17238	0.5
244.00111	0.9
245.00905	8.5
247.02492	4.5
253.03731	0.9
257.00912	0.8
261.00400	1.5
265.07184	8.3
266.07584	0.5
270.98700	1.4
271.04639	1.6
273.00436	19.5
274.00940	1.6
275.01926	3.0
283.99677	0.6
291.01477	1.8
298.98349	2.4
299.99234	2.6
300.02084	0.6
300.99908	25.1
301.03394	1.2
302.00238	2.0
313.05658	2.0
316.99442	4.8
331.06738	1.2
417.08658	0.7
433.07748	0.5
459.18762	16.6
460.19260	1.1
465.07608	0.6
477.10413	100.0
478.10782	8.7
513.71814	0.6
537.20209	1.3
601.08356	3.5
602.09180	0.8
733.06982	2.1
751.07813	3.0
785.08423	0.7
919.07806	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	937.0967
Annotation	Punicafolin
Peak:m/z	Relative Intensity
71.01400	0.3
75.10934	0.3
85.02960	0.5
87.45059	0.3
95.01412	1.6
107.01407	2.1
111.00905	0.7
113.02431	0.5
117.03488	0.5
119.05002	0.4
120.29884	0.3
121.02997	0.4
123.00918	3.3
124.01669	0.7
125.02464	11.0
129.03476	0.6
133.03018	0.5
135.04514	0.3
137.02461	0.5
139.00352	0.9
140.01176	0.8
145.03004	1.7
147.04492	0.5
149.24896	0.3
151.00407	0.8
157.02988	0.4
159.04532	0.9
161.02473	0.9
163.03990	0.8
166.99925	0.6
168.00652	0.5
169.01448	10.6
170.01704	0.3
173.02435	2.2
175.04039	1.5
177.01910	0.8
185.02460	2.6
187.03926	0.4
189.01953	1.3
190.02657	0.4
190.95442	0.3
191.03493	1.2
193.01326	0.4
200.01169	0.4
201.01979	2.7
202.02641	0.3
203.03502	2.2
205.01341	0.3
211.02434	0.4
211.04185	0.3
213.01871	0.6
213.76263	0.3
214.90515	0.4
217.01418	1.3
219.02899	0.7
221.04584	0.4
226.99922	0.7
228.00676	0.5
229.01430	5.6
230.01881	0.5
231.02988	2.1
240.04129	0.3
245.00923	3.6
247.02483	1.3
248.03268	1.1
249.04022	4.1
257.00955	4.1
258.01459	0.5
267.02942	0.5
273.00470	3.3
274.01111	0.8
275.01996	11.0
276.02322	0.7
283.99664	2.9
286.98523	0.3
291.01532	0.6
299.99121	3.7
300.99915	100.0
302.00229	6.4
303.00726	0.5
313.05725	2.8
419.06149	0.7
445.03854	0.3
449.05472	0.4
465.06769	9.2
466.07211	0.6
483.08325	0.4
554.72546	0.3
597.05457	0.5
719.04535	0.3
767.07605	6.6
768.07941	1.2
785.08551	1.1
937.09698	9.2
938.10297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	935.0801
Annotation	Unknow
Peak:m/z	Relative Intensity
78.84812	1.0
80.19114	0.9
95.01407	2.3
97.02994	0.9
97.17189	1.0
98.19820	1.4
107.01383	1.9
117.03474	1.3
119.05007	1.2
123.00919	5.6
124.01661	1.5
125.02456	9.3
129.03473	1.8
131.05106	1.3
133.02953	1.1
137.89775	1.0
145.02946	6.4
147.04541	2.7
157.02972	2.2
158.03795	1.6
159.04523	3.5
161.02478	2.5
163.00391	1.0
163.04047	2.6
169.01436	7.0
169.02893	2.0
171.04491	1.9
173.02440	7.1
174.03163	1.4
175.04016	5.5
177.01915	2.7
183.04623	1.2
185.02406	5.9
187.04001	2.8
189.01949	2.9
190.02666	3.3
190.99896	1.4
191.03499	3.0
193.01427	3.2
197.02277	1.2
199.04001	1.9
201.01920	9.2
202.02661	1.6
203.03557	8.9
204.04036	1.1
205.01379	1.0
213.01933	3.5
214.02690	1.6
215.03491	2.9
216.00671	1.2
217.01424	4.4
218.02135	1.7
219.03024	2.5
225.01892	1.7
226.99898	1.1
227.03517	4.7
228.00717	1.3
229.01440	16.6
229.04967	1.8
229.08400	1.1
230.02171	2.7
231.03018	9.7
241.01387	1.3
243.03052	6.3
245.00958	8.0
245.04701	1.5
246.01706	2.1
247.02438	2.9
249.04039	15.6
250.04393	1.3
253.01395	3.9
253.04982	1.1
255.02997	2.3
257.00916	12.9
258.01678	7.7
259.02472	3.2
267.03131	1.8
270.99255	1.3
271.02454	7.1
271.99496	1.4
272.03021	1.7
273.00375	7.4
273.03537	1.7
274.01172	13.6
275.02002	95.1
276.02133	4.4
281.00952	2.6
281.04636	1.6
282.01782	1.2
283.02423	2.7
283.99680	4.0
284.02930	1.3
286.01132	2.5
287.01962	4.4
288.02795	5.1
289.03506	1.6
291.01453	3.2
298.01157	3.0
298.98392	3.1
299.01962	49.8
299.99075	8.4
300.02487	4.9
300.99939	100.0
301.03299	5.5
302.00241	7.6
303.01245	5.2
309.03998	2.0
311.01840	2.7
312.99957	1.8
313.03387	1.3
314.00739	3.5
315.01492	3.8
317.03024	11.9
325.03867	1.3
327.01425	3.7
328.13629	1.2
329.02957	12.9
337.03421	2.1
340.02380	1.6
341.02994	3.5
343.01010	3.2
344.01053	1.2
349.03653	2.3
359.04068	1.1
365.03241	6.0
367.04907	1.6
383.04034	4.2
401.05167	1.7
419.05804	4.7
436.81845	1.0
437.06851	1.2
463.05276	5.9
481.06216	3.0
571.07397	3.8
573.05737	1.3
589.08234	1.3
615.06256	4.0
616.06262	1.1
633.07434	30.3
634.07654	3.0
659.05023	3.9
765.05518	2.0
783.06506	1.6
917.06946	2.5
935.07861	19.0
936.08087	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	935.08
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59770	2.2
79.33817	0.3
85.09897	0.3
85.10387	0.3
86.07890	0.3
95.01387	0.8
95.76062	0.3
117.03477	1.2
119.01427	0.4
119.05021	0.6
123.00871	1.0
125.02467	1.7
129.03474	0.8
133.02977	1.0
145.02968	2.9
147.04506	1.3
149.02417	0.4
157.02974	1.3
159.04559	1.6
161.02444	1.2
163.00386	0.4
163.03998	1.1
169.01408	1.1
172.01752	0.4
173.02434	2.9
175.03947	1.6
177.01920	1.0
185.02451	3.5
187.04083	0.4
189.01935	1.9
190.02742	0.8
191.03487	1.3
199.03972	0.4
200.01086	0.4
201.01930	4.7
202.02594	0.4
203.03568	3.2
205.01286	0.4
213.02040	0.8
214.02718	0.5
215.03548	0.8
216.00717	0.8
217.01378	1.8
219.02956	1.0
226.99884	0.6
227.03461	0.5
228.00557	0.8
229.01433	8.4
229.04965	0.4
230.02011	1.0
231.02946	3.0
232.03220	0.4
243.03018	0.4
244.00122	1.0
245.00900	4.7
246.01352	0.5
247.02483	1.1
248.03319	1.0
249.04024	3.2
255.03253	0.4
257.00931	6.2
258.01636	1.9
259.02490	0.3
270.98993	0.6
271.02325	0.6
271.99570	0.8
273.00482	4.2
273.03543	0.6
274.01160	2.2
275.02008	20.8
276.02368	1.0
283.99615	3.1
285.00000	0.5
291.01654	0.7
297.03949	0.5
298.98489	0.9
299.99127	11.0
300.99908	100.0
302.00253	6.8
303.00479	0.9
315.01617	1.8
329.03159	0.4
341.02887	0.4
343.01050	3.0
419.06393	0.8
445.04147	0.9
463.05209	8.5
464.05563	0.7
687.33691	0.5
707.35962	0.4
765.06116	2.7
766.06403	0.7
935.07910	7.8
936.08386	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	935.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	1.9
69.48784	6.9
77.82089	1.0
79.01929	1.1
95.01405	7.4
97.02953	1.4
101.04000	1.1
101.19487	0.9
107.01411	5.6
109.02962	1.0
111.00870	1.5
117.03503	4.1
119.05031	1.5
123.00903	12.1
125.02461	29.0
126.02760	1.1
129.03531	1.4
132.02219	1.4
133.02953	5.8
137.02530	1.1
139.00386	1.8
141.01965	1.1
145.02979	13.0
147.04510	2.8
151.00461	1.4
156.78172	1.1
157.02983	2.5
159.04503	1.4
160.01656	1.4
161.02463	14.6
163.00368	1.7
163.04036	6.1
165.01907	1.6
166.99864	4.1
168.00644	2.0
169.01447	34.0
171.00900	3.0
173.02457	15.5
174.03067	1.3
175.04037	3.8
177.01970	3.0
179.03561	2.3
185.02473	2.9
187.00368	2.3
188.01033	1.8
189.01961	20.7
190.02617	2.1
191.03490	6.3
191.05016	1.1
193.01416	1.6
199.00392	2.8
200.01230	2.6
201.01964	12.7
202.02261	1.3
203.03543	3.2
205.01358	2.6
207.03030	1.4
214.99831	2.4
216.00656	1.9
217.01430	29.0
218.01874	2.0
219.02823	1.3
226.99931	5.5
228.00584	2.7
229.01411	13.9
230.01927	1.5
231.02962	5.1
232.41739	1.1
233.97852	1.2
242.99307	3.0
244.00108	4.0
245.00922	49.6
246.01376	4.1
247.02599	5.3
249.04034	2.2
257.00961	7.6
258.01541	1.9
261.00522	7.1
263.01920	1.5
267.03165	1.3
270.98874	7.0
271.99591	2.3
273.00446	96.7
274.00906	9.6
275.02048	16.6
276.02106	1.3
283.99866	1.7
285.04074	1.5
288.99985	4.2
291.01529	3.7
295.04605	3.1
298.98389	15.1
299.01694	1.5
299.99091	14.9
300.99918	100.0
302.00250	14.4
303.00519	4.9
313.05814	2.8
316.99408	28.2
317.99799	1.5
445.04044	1.6
463.04871	2.1
465.06863	5.0
542.04175	1.1
569.04944	1.2
597.05334	3.1
615.06433	1.9
617.07886	21.8
618.08301	2.7
723.08118	1.1
749.05981	9.3
750.06842	1.4
751.67078	1.3
767.07373	8.2
768.07428	1.6
917.06866	4.5
935.08105	13.8
936.08154	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	933.6963
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99608	0.4
69.27312	2.1
69.27741	1.4
78.89156	0.4
92.92822	0.4
112.98533	0.7
157.86984	0.4
174.17001	0.4
256.12689	0.4
407.33011	2.6
455.35333	100.0
456.30725	0.2
456.35678	10.4
933.69623	88.9
934.69922	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	935.08
Annotation	Unknow
Peak:m/z	Relative Intensity
69.59770	2.2
79.33817	0.3
85.09897	0.3
85.10387	0.3
86.07890	0.3
95.01387	0.8
95.76062	0.3
117.03477	1.2
119.01427	0.4
119.05021	0.6
123.00871	1.0
125.02467	1.7
129.03474	0.8
133.02977	1.0
145.02968	2.9
147.04506	1.3
149.02417	0.4
157.02974	1.3
159.04559	1.6
161.02444	1.2
163.00386	0.4
163.03998	1.1
169.01408	1.1
172.01752	0.4
173.02434	2.9
175.03947	1.6
177.01920	1.0
185.02451	3.5
187.04083	0.4
189.01935	1.9
190.02742	0.8
191.03487	1.3
199.03972	0.4
200.01086	0.4
201.01930	4.7
202.02594	0.4
203.03568	3.2
205.01286	0.4
213.02040	0.8
214.02718	0.5
215.03548	0.8
216.00717	0.8
217.01378	1.8
219.02956	1.0
226.99884	0.6
227.03461	0.5
228.00557	0.8
229.01433	8.4
229.04965	0.4
230.02011	1.0
231.02946	3.0
232.03220	0.4
243.03018	0.4
244.00122	1.0
245.00900	4.7
246.01352	0.5
247.02483	1.1
248.03319	1.0
249.04024	3.2
255.03253	0.4
257.00931	6.2
258.01636	1.9
259.02490	0.3
270.98993	0.6
271.02325	0.6
271.99570	0.8
273.00482	4.2
273.03543	0.6
274.01160	2.2
275.02008	20.8
276.02368	1.0
283.99615	3.1
285.00000	0.5
291.01654	0.7
297.03949	0.5
298.98489	0.9
299.99127	11.0
300.99908	100.0
302.00253	6.8
303.00479	0.9
315.01617	1.8
329.03159	0.4
341.02887	0.4
343.01050	3.0
419.06393	0.8
445.04147	0.9
463.05209	8.5
464.05563	0.7
687.33691	0.5
707.35962	0.4
765.06116	2.7
766.06403	0.7
935.07910	7.8
936.08386	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	933.6961
Annotation	Unknow
Peak:m/z	Relative Intensity
65.78136	0.9
71.56355	1.5
96.08063	0.9
96.95957	1.5
101.02491	1.2
117.54422	0.9
117.85152	0.9
147.14488	1.1
153.16100	1.0
164.66202	1.1
172.20790	1.0
209.11801	3.1
210.21585	1.2
255.23346	1.3
313.06982	1.0
396.95248	1.2
397.13489	2.0
398.73895	1.1
455.35327	89.2
456.35471	8.5
550.93231	1.1
933.69525	100.0
934.51715	1.1
934.69775	23.3
934.87549	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	933.1381
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01913	2.8
68.99834	0.9
69.03470	2.1
71.01395	2.3
71.57345	0.6
72.54950	0.5
72.99320	0.9
79.01912	2.4
80.96541	0.7
81.03464	1.2
82.96131	0.7
83.01411	1.4
85.02951	1.0
87.00888	1.0
93.03475	1.5
95.01405	14.2
96.96020	3.1
97.02964	4.0
97.30667	0.5
101.02457	0.9
101.04009	0.5
102.03626	0.5
105.03499	0.6
107.01399	7.7
109.02990	1.5
111.00899	3.9
113.02467	0.8
117.03467	3.1
119.05050	9.4
120.05291	0.8
120.99306	0.6
121.03004	0.9
123.00904	37.5
124.01736	3.4
125.02464	85.2
126.02812	2.0
127.00338	0.9
127.82375	0.5
131.05011	0.8
133.02960	1.2
135.04536	0.8
136.98813	1.7
137.02470	1.9
139.00397	7.9
140.01201	5.3
141.01971	1.7
143.05037	0.8
145.02968	9.7
147.04535	1.1
149.02489	1.4
151.00401	2.3
151.04059	1.2
153.01971	1.5
154.99895	0.6
159.04565	1.9
160.04025	0.8
160.85567	0.5
161.02460	3.5
161.04764	0.5
161.06096	0.9
162.03242	0.5
163.04044	7.9
164.04477	0.7
165.01956	0.9
166.02669	0.8
166.99889	16.0
167.03543	1.4
168.00674	11.5
169.01447	100.0
170.01816	2.3
171.04486	0.9
173.02483	2.7
173.06139	0.8
175.04037	1.4
177.01978	1.6
177.05638	1.0
179.03520	1.6
187.04041	1.9
188.04649	0.7
189.01981	1.5
189.05615	1.8
190.02594	0.7
191.03523	2.1
193.01437	4.1
193.05052	0.5
199.03996	0.7
201.01956	1.3
203.03572	2.1
205.01442	3.5
205.05116	1.8
209.00972	0.6
211.02419	3.9
215.03510	1.9
217.01389	1.3
217.05104	1.7
219.03157	0.6
221.04541	1.0
223.02681	0.6
229.01515	0.7
231.03079	1.1
233.04561	3.0
235.02451	1.3
245.00983	1.8
249.04112	1.9
251.05807	1.0
257.00919	0.8
258.20462	0.5
259.02448	1.3
261.04105	1.8
270.98923	0.7
273.00323	3.4
275.02121	2.6
277.03577	5.1
279.05127	2.4
285.04254	1.3
295.04681	6.3
296.05194	0.6
298.98361	1.3
299.99072	1.6
300.99899	15.3
302.00458	0.9
313.05759	5.3
367.21326	0.7
385.05811	0.7
417.08417	1.0
429.04636	2.0
431.06274	1.1
441.08374	2.4
445.03918	0.6
447.05786	2.6
459.10199	0.7
463.05252	0.8
465.07028	1.3
498.93445	0.6
513.20160	1.2
514.20618	1.1
515.20563	1.0
523.18304	0.6
548.29175	0.7
549.10541	0.8
593.09436	2.6
595.11285	2.8
611.10345	12.5
612.11401	0.9
617.07770	1.2
629.12061	0.8
719.12805	2.3
763.11560	62.1
764.12030	8.6
769.08765	1.4
781.12769	6.7
782.13586	1.3
933.13892	23.2
933.32959	1.2
934.14423	3.9
942.57788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0644
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00320	0.7
70.84443	0.5
95.01394	1.9
103.36096	0.5
117.03458	1.4
119.05008	0.8
123.00900	2.3
125.02456	2.0
131.05116	0.7
133.02945	1.5
143.01465	0.5
145.02950	4.0
147.04555	1.1
149.02411	0.5
156.67732	0.5
157.02951	0.9
159.04605	0.6
161.02502	3.5
163.04036	1.7
166.99879	2.0
169.01439	1.3
171.00896	1.2
173.02443	4.8
175.03944	1.3
177.01917	0.9
179.03494	0.7
185.02437	2.2
187.00500	1.1
189.01936	4.0
190.02742	1.2
191.03502	1.8
199.00377	1.1
200.01138	0.9
201.01959	5.6
202.02515	0.5
203.03493	1.9
205.01483	0.7
213.01831	0.7
214.99915	1.9
216.00679	1.3
217.01419	7.1
226.99895	2.1
227.03474	0.9
228.00587	1.1
229.01454	7.2
230.01990	0.8
231.02960	1.8
235.98598	0.6
242.99326	2.2
244.00076	1.4
245.00922	13.4
246.01529	0.9
247.02411	2.4
249.04100	1.6
254.99359	0.8
257.00903	4.4
258.01642	1.2
261.00397	1.3
270.98874	7.0
271.99457	1.0
273.00433	24.4
274.00980	2.3
275.01996	8.9
283.99622	2.1
288.99854	0.8
291.01389	1.7
298.98346	11.7
299.99106	9.0
300.02231	1.0
300.99911	100.0
302.00229	4.7
316.99411	2.8
340.99545	0.7
343.00964	1.1
443.02469	0.5
445.04144	3.4
461.03546	0.8
463.04962	5.3
539.17651	0.6
603.06354	1.2
613.04987	2.1
615.06537	0.8
765.05768	1.7
853.90845	0.5
905.05524	0.7
915.06787	0.6
928.30206	0.5
933.06995	3.8
934.07166	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	933.0648
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01392	1.8
98.19770	1.3
101.52343	0.6
117.03480	1.7
119.04988	0.7
123.00900	2.7
125.02472	1.6
127.08839	0.6
133.02965	2.4
145.02956	5.7
147.04509	1.2
157.02939	1.1
159.04510	0.7
161.02429	2.9
163.03987	1.8
166.99841	2.5
169.01402	1.1
173.02435	4.9
175.04031	2.2
185.02425	2.8
187.00372	1.0
189.01952	4.8
191.03503	2.0
199.00333	0.9
200.01192	0.9
201.01979	4.3
203.03511	2.5
213.02003	0.7
214.99782	1.3
216.00656	0.8
217.01465	6.7
218.02126	0.7
219.02785	0.8
226.99841	1.2
228.00667	0.9
229.01465	6.6
230.02074	0.8
230.05214	0.9
231.03003	2.3
242.99321	2.5
244.00084	1.3
245.00914	13.7
246.01616	0.8
247.02458	2.4
249.04059	1.7
257.00995	3.8
258.01477	0.8
261.00436	1.7
270.98804	6.2
271.99460	0.9
273.00433	24.0
274.00903	2.2
275.01987	9.5
283.99609	1.9
297.29620	0.6
298.98404	9.5
299.99094	9.2
300.99908	100.0
302.00314	5.0
316.99426	2.2
343.00864	1.2
443.02505	1.0
445.04092	3.6
446.04703	0.8
461.03632	1.3
463.05484	3.5
615.06177	1.0
645.31042	0.6
765.05853	1.9
915.04547	0.8
933.06439	5.5
934.07935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.4
80.24127	0.5
93.03455	0.5
95.01374	1.6
98.16326	0.4
117.03466	1.7
123.00899	2.6
123.01638	0.5
125.02445	1.5
129.03445	0.7
130.11263	0.4
132.02222	0.5
132.53714	0.4
133.03008	2.3
139.84076	0.4
145.02982	4.2
147.04544	1.6
149.02472	0.7
157.03000	1.7
160.01694	0.9
161.02472	4.1
163.04028	1.9
166.99847	1.3
169.01450	2.0
171.00871	1.4
172.01724	0.5
173.02461	6.3
175.03987	1.1
177.01936	1.2
179.03435	0.5
185.02466	2.5
187.00359	1.0
188.01010	0.6
189.01953	4.8
190.02660	1.0
191.03584	2.2
199.00398	1.4
200.01109	0.6
201.01939	5.4
203.03462	1.8
205.01485	0.5
213.01933	1.1
214.99925	1.0
216.00648	1.1
217.01424	8.9
219.02943	0.9
221.57089	0.5
226.99902	1.7
228.00613	1.2
229.01437	7.2
229.39015	0.6
230.01961	0.7
231.02922	2.2
242.99301	2.4
244.00124	1.8
245.00932	16.9
246.01582	1.0
247.02470	2.2
249.03996	2.6
254.99297	0.8
257.00967	4.6
258.01480	0.8
261.00403	1.7
270.98853	7.4
271.99512	1.2
273.00439	26.7
274.00961	2.4
275.02011	11.1
283.99875	2.1
288.99722	0.5
291.01547	1.9
298.98383	13.2
299.01831	0.7
299.99149	9.0
300.99921	100.0
302.00180	5.0
316.99432	2.2
343.00958	0.7
417.04428	0.5
445.04340	2.6
446.04474	0.5
461.03595	1.3
463.05069	3.3
464.05798	0.6
603.06488	0.7
613.04913	2.4
615.06464	0.6
765.05634	1.1
887.08295	0.5
915.05865	0.5
933.06531	4.9
934.07300	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
66.38338	0.3
69.33236	1.9
69.33655	0.8
71.53271	0.3
84.89600	0.3
90.07182	0.3
107.01413	0.4
133.02957	3.6
149.02440	0.8
151.00378	2.9
165.39955	0.3
171.04475	0.3
175.03961	1.5
197.06146	0.3
199.04050	1.4
199.94308	0.3
201.01994	0.5
217.05045	1.0
241.05067	0.7
284.03278	0.4
285.04068	100.0
286.04388	6.7
286.07336	0.5
340.11975	0.3
447.09348	38.5
448.09616	3.1
483.18677	2.3
628.30591	0.3
697.21576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54742	0.2
69.03487	0.2
71.57237	0.3
79.01910	0.2
83.01405	0.2
85.02962	0.2
93.03468	0.2
95.01398	0.9
96.96046	0.9
97.02953	0.2
107.01411	0.6
113.02457	0.2
117.03478	0.8
119.05050	1.7
123.00146	0.2
123.00881	1.2
124.01627	0.2
124.36688	0.2
125.02461	4.6
129.03482	0.2
132.02238	0.2
133.02995	0.4
137.02490	0.3
138.22678	0.1
139.00420	0.5
144.66808	0.1
145.02977	2.5
147.04515	0.4
149.02419	0.2
151.00354	0.4
153.22884	0.2
157.02946	0.4
159.04538	0.3
161.02448	0.5
163.04041	1.7
168.00673	0.4
169.01450	4.1
173.02405	1.6
175.04013	0.6
177.01947	0.3
185.02463	2.3
187.03995	0.2
188.01176	0.2
189.01959	0.7
190.02672	0.2
191.03500	0.6
193.01407	0.3
195.04587	0.2
200.01172	0.2
201.01956	2.0
203.03575	0.9
213.01912	0.5
215.00015	0.2
216.00696	0.3
217.01469	0.9
219.03014	0.3
226.99921	0.7
228.00714	0.4
229.01428	4.3
230.01823	0.2
231.03035	1.1
245.00906	2.6
247.02472	0.4
249.04044	1.5
257.00955	2.8
258.01511	0.7
267.03036	0.2
270.98944	0.3
273.00449	1.2
273.58798	0.2
274.01175	0.6
275.01987	4.4
279.02988	0.2
283.99619	2.3
285.00510	0.4
285.04114	0.5
286.04227	0.2
291.01694	0.2
298.98410	0.2
299.99112	2.7
300.99921	100.0
302.00247	5.1
306.07632	0.2
311.05603	0.2
313.05734	0.3
329.03186	0.3
341.03082	0.2
405.75137	0.2
414.60861	0.2
419.06406	0.2
427.02930	0.3
428.23016	0.2
447.09250	0.3
450.05573	0.2
459.09326	1.0
553.06293	0.2
755.32104	0.2
761.10327	1.6
931.12152	7.1
932.12701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5125
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34949	0.5
69.03473	1.0
70.29717	2.3
71.01389	16.1
72.99317	1.4
73.02959	2.2
75.00878	0.5
81.03452	1.1
83.01389	1.9
85.02968	4.5
87.00883	4.6
87.16057	0.7
89.02457	12.3
89.03011	0.9
95.01393	1.1
96.96021	1.2
97.02961	2.5
99.84211	0.5
101.02455	11.8
103.56955	0.5
106.26878	0.5
112.69592	0.6
113.02464	7.1
119.03509	3.6
125.02467	4.2
141.34801	0.6
143.03510	2.1
161.04584	3.0
167.14380	0.7
179.05608	3.1
183.13936	6.8
193.12415	1.2
211.13412	100.0
212.13751	3.7
212.15514	0.6
217.07266	1.0
221.06595	1.5
235.08243	5.7
235.15555	0.6
235.34091	0.6
243.28821	0.6
253.09293	1.0
271.15485	0.7
277.21753	58.5
278.22162	3.1
287.07629	1.4
305.08829	1.7
319.23001	0.7
323.09683	0.7
379.12488	10.9
380.13016	0.7
387.76300	0.6
397.13541	43.5
398.13855	2.2
400.50073	0.6
415.14621	7.8
549.77161	0.6
550.54132	0.5
591.26508	6.5
592.26959	0.8
609.27460	4.4
657.35083	1.5
675.36206	2.9
685.48169	0.8
869.49158	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.106
Annotation	Unknow
Peak:m/z	Relative Intensity
66.54617	0.1
71.55930	0.3
95.01387	0.2
96.96021	3.8
100.20454	0.2
106.36446	0.2
109.02946	0.4
118.68829	0.2
123.00912	0.2
125.02464	0.4
129.03419	0.3
133.02975	0.3
137.02455	0.8
145.02979	0.7
147.04501	0.5
157.02956	0.7
159.04517	0.3
161.02464	0.3
163.00407	0.3
163.04073	0.4
165.01886	0.4
173.02473	1.2
175.03947	0.5
177.01906	0.3
179.28624	0.2
183.66615	0.2
185.02464	2.2
189.01910	0.5
190.02766	0.2
191.03499	0.5
193.01462	0.7
201.01962	1.9
203.03513	1.3
205.01534	0.3
209.00919	0.4
213.01971	0.7
217.01373	0.5
219.02971	0.4
226.99829	0.4
228.00487	0.2
229.01437	3.8
230.01976	0.3
231.02975	0.6
233.00908	0.2
237.00441	0.6
240.00587	0.2
242.99356	0.2
245.00912	1.5
246.01494	0.2
247.02498	0.8
249.03949	0.8
254.99449	0.2
257.00922	3.3
258.01675	0.5
261.00427	1.1
265.03384	0.2
270.98856	0.4
273.00397	1.1
274.01169	0.7
275.01981	9.2
276.02365	0.5
279.01395	0.2
283.99643	2.1
285.00323	0.4
291.01456	0.2
297.02490	0.2
298.98407	0.5
299.99103	2.6
300.99908	100.0
302.00250	5.2
315.01392	0.4
319.01004	0.3
327.01376	0.2
339.03775	0.2
343.01050	0.3
345.02594	0.5
389.01645	0.2
399.05588	0.3
463.05576	0.4
481.06186	3.2
482.07019	0.2
629.10229	0.6
630.10181	0.2
687.43225	0.2
766.34546	0.2
783.06494	0.3
843.22150	0.2
931.10992	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.5098
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	8.3
71.02808	5.1
75.82693	5.7
89.02442	10.1
101.02447	9.3
113.02408	6.6
113.28538	5.8
149.12303	5.0
209.11850	100.0
214.38710	5.9
227.12904	20.4
235.08183	7.5
283.26550	49.4
294.55563	6.4
379.12286	13.8
397.13492	67.1
398.13779	11.4
415.14435	12.0
454.68982	5.9
681.39899	7.0
708.82001	5.9
927.50946	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3353
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.4
69.61568	1.2
69.61986	0.6
71.01382	1.2
72.99298	0.3
73.02921	0.4
75.46814	0.2
79.01893	0.6
83.01396	0.6
85.02942	0.6
86.87921	0.3
87.00904	0.3
87.60085	0.2
89.02447	0.5
95.01381	1.4
97.02963	0.4
101.02451	0.7
101.39072	0.3
107.01415	2.3
110.00140	0.3
111.00910	1.3
113.02450	0.6
123.00906	8.5
123.04541	0.3
124.01693	0.5
125.02469	10.8
127.00429	0.5
136.05341	0.3
136.98784	1.1
137.02467	0.3
137.04306	0.2
139.00389	2.8
140.01195	2.1
141.01965	1.0
143.15207	0.3
147.22845	0.3
151.00394	7.4
151.03957	0.3
151.07600	0.3
153.01889	0.5
153.09236	0.3
154.99898	0.4
163.04042	0.3
163.11261	0.3
168.00629	3.0
169.01451	14.9
170.01727	0.4
174.87675	0.4
181.05185	0.6
181.06625	0.3
185.62349	0.3
205.12463	0.7
211.02498	3.9
241.03592	0.3
247.02312	0.6
271.04587	2.9
273.00391	0.3
300.99930	2.2
302.00061	0.4
313.05606	1.2
387.13010	19.2
388.13400	1.1
486.46222	0.3
537.19806	100.0
538.20154	11.0
686.90210	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.096
Annotation	Unknow
Peak:m/z	Relative Intensity
70.16042	1.0
71.40282	1.7
72.15731	1.1
79.05543	1.7
95.01397	1.9
105.07137	1.2
115.05505	1.6
117.03504	1.4
119.05034	2.5
122.09037	1.2
123.00888	4.9
125.02483	6.2
131.05028	3.5
133.02968	2.0
133.06622	1.6
135.04568	1.5
137.02431	1.8
142.93854	1.2
145.02988	2.1
147.04568	8.8
149.06102	15.5
150.06340	1.0
158.03737	1.2
159.04492	7.0
161.02464	2.3
162.03247	1.9
163.03990	2.6
165.01962	1.6
169.01436	4.9
173.02452	3.3
175.04030	21.6
176.04781	1.4
177.02025	3.4
177.05597	30.3
178.05893	1.6
185.02408	3.0
187.04128	1.4
189.01880	2.1
190.02737	1.4
191.03490	5.7
192.03963	1.0
193.01434	1.3
193.04982	1.7
195.65126	1.0
201.01996	5.0
203.01611	1.5
203.03519	29.2
204.03885	2.9
205.01367	2.0
214.15483	1.1
217.01395	2.5
219.03011	4.8
220.03783	2.6
221.04556	12.7
229.01431	11.2
230.02000	1.8
231.03004	11.7
238.17262	1.2
245.00864	6.3
247.02486	19.0
248.03133	7.4
249.04059	23.4
257.00977	10.0
258.01709	3.7
265.03540	29.3
266.03845	1.8
273.00378	6.4
274.01126	2.3
274.28674	1.1
275.01990	65.3
276.02264	3.3
283.99692	1.7
287.01999	1.2
291.01474	4.1
292.01843	2.0
299.99063	3.5
300.99921	100.0
302.00104	7.4
309.02469	3.4
409.07889	5.4
419.06287	2.5
445.04120	1.8
453.06985	1.7
463.05261	3.4
561.08783	1.3
633.07385	12.9
634.07172	2.7
711.08173	3.8
725.06354	1.2
881.10638	16.3
882.10919	3.4
925.09772	10.3
926.09296	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	925.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91809	0.4
70.55716	0.4
79.05537	0.6
91.05526	0.4
93.23246	0.4
95.01390	1.2
96.96041	0.7
98.19893	1.2
105.03487	1.2
105.07103	0.5
105.46233	0.4
106.84386	0.4
107.01437	0.6
108.02193	0.4
109.02965	0.9
117.03480	0.8
119.05014	1.3
121.02946	0.8
121.06578	0.6
123.00895	2.2
124.01667	0.5
125.02464	3.0
131.05045	1.7
133.02971	0.9
133.06633	0.5
135.04541	0.6
136.58789	0.4
137.02432	1.6
145.02950	1.8
147.04535	4.6
149.02449	0.9
149.06096	4.2
157.02951	0.9
158.03716	0.7
159.04497	3.1
161.02449	1.1
162.03212	2.1
163.00352	1.3
163.04016	1.3
164.01122	0.8
164.04860	0.4
165.01923	0.7
165.60599	0.4
167.03400	0.5
169.01434	2.3
173.02446	2.2
174.03253	0.7
175.04012	14.7
176.04456	0.6
177.01958	1.3
177.05579	8.4
178.05968	0.5
185.02393	2.6
187.03954	0.4
189.01968	0.9
190.02748	0.5
190.99809	0.8
191.03532	3.5
193.01492	2.7
193.05046	1.6
201.01929	2.6
202.02625	0.6
203.03513	15.7
204.03925	0.7
205.01456	1.3
206.02242	0.5
213.01944	1.0
217.01421	1.5
219.02980	1.7
220.03691	0.8
221.04559	7.2
222.04903	0.5
228.00598	0.5
229.01419	7.3
229.41557	0.4
230.01839	0.8
231.03009	2.8
232.39920	0.4
244.00276	0.4
245.00955	2.7
247.02480	13.2
248.03101	1.4
249.04066	4.2
257.00934	5.0
258.01672	1.3
259.02539	0.6
265.03534	5.3
270.98871	1.3
273.00513	2.9
274.01184	0.9
275.01993	16.1
276.02393	1.1
283.99561	2.3
291.01370	2.3
298.98367	0.7
299.99130	3.5
300.99911	100.0
302.00189	5.3
309.02573	2.7
409.07697	2.1
419.06155	0.7
435.05090	0.4
453.06812	7.4
489.52850	0.4
512.37048	0.4
579.09802	0.7
615.06219	0.5
623.08923	1.7
633.07300	5.1
634.07794	0.7
755.07336	2.1
881.10333	0.9
907.09076	0.5
925.09576	11.3
926.10840	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	923.1892
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00308	0.5
71.57286	0.8
80.78298	0.5
107.01389	1.5
116.92870	1.0
120.05247	0.6
123.87107	0.5
125.02477	1.2
133.02960	5.9
135.36514	0.6
145.02971	0.6
149.02489	1.4
151.00400	3.8
169.01468	1.2
175.04004	1.9
199.04034	1.6
201.02031	0.6
217.05060	1.2
241.05017	0.8
243.03159	0.7
256.03720	0.7
270.98987	0.7
273.00699	0.6
284.03403	1.7
285.04074	100.0
286.04376	6.7
300.99948	1.8
341.76489	0.6
417.08292	42.4
418.08804	4.2
497.66147	0.6
508.43298	0.6
539.14294	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	923.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00342	0.4
69.91741	1.3
86.07905	0.4
91.01911	0.3
93.03494	0.3
95.01387	0.5
96.96004	0.6
99.00915	0.7
105.03472	0.4
107.01451	0.8
108.04659	0.4
109.02993	1.6
111.00908	0.4
117.03451	0.6
119.05032	1.0
121.02982	0.3
123.00915	1.5
125.02467	2.8
133.02953	0.7
135.00923	0.6
135.04488	0.6
137.02460	4.6
139.04012	0.4
145.02959	1.9
147.00835	0.4
147.04527	1.5
149.02449	0.7
151.00374	0.7
156.47433	0.3
157.02937	0.6
159.04556	0.4
161.02434	1.4
163.00395	10.1
163.04048	2.0
164.00832	0.4
164.62595	0.3
165.01939	5.6
169.01431	3.0
172.01616	0.4
173.02448	2.5
175.04068	1.5
177.01923	2.6
179.10857	0.4
185.02501	2.4
187.04010	0.4
189.01913	1.3
190.02687	0.8
190.99899	0.7
191.03532	6.1
193.05087	0.4
198.69173	0.3
201.01936	2.6
203.03513	1.7
206.99417	1.5
208.00122	0.7
209.00934	6.0
213.01935	0.8
216.00630	0.5
217.01364	1.6
217.04935	0.3
218.02176	0.3
219.03044	3.4
221.00987	1.4
226.99907	0.8
228.00571	0.3
228.99437	0.5
229.01457	4.8
231.02934	1.7
237.04008	1.5
245.00987	3.4
247.02469	1.0
248.03294	0.6
249.04039	2.7
251.01988	0.5
257.00897	3.4
258.01645	0.9
261.00479	0.7
263.01996	1.5
270.98846	1.2
273.00461	2.1
274.01096	0.6
275.02008	7.2
281.03098	1.1
283.99594	2.4
285.00778	0.5
285.04053	3.9
286.04352	0.4
298.98196	0.4
299.99197	2.6
300.99918	100.0
302.00269	6.7
307.00992	2.6
312.99918	1.6
313.05725	0.5
353.04892	0.4
407.06213	0.9
425.07336	0.8
447.09396	1.7
451.05283	3.7
469.06345	0.4
472.13403	0.3
475.04984	1.4
523.07294	1.0
577.08282	1.3
615.05780	0.6
621.07489	0.6
825.08289	1.0
879.09351	1.2
923.08154	6.7
924.07684	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
70.58015	3.6
71.01394	13.0
73.02958	1.7
83.01382	1.3
83.05026	3.8
85.02942	2.9
87.00903	3.8
89.02448	15.2
97.02929	2.2
98.20024	1.3
101.02458	11.1
113.02480	6.0
119.03481	2.9
125.02440	5.1
143.03510	3.3
161.04578	5.2
163.11278	2.7
165.12970	2.5
179.05647	5.7
209.11856	100.0
210.12190	4.7
221.06734	1.7
227.12904	28.8
228.12958	1.6
235.08202	4.1
257.76953	1.2
259.08405	1.1
277.21756	58.5
278.22141	3.5
287.07706	1.9
305.08875	2.6
323.09940	1.9
379.12546	14.4
380.12897	1.9
397.13541	70.1
398.13831	4.8
415.14725	12.9
589.25006	4.4
607.25922	5.1
648.14685	1.2
657.34924	3.5
675.36017	7.2
676.37518	1.3
867.46960	2.3
921.46198	24.4
922.47144	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	921.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01372	0.7
71.33432	0.8
85.02928	0.6
87.00861	0.4
89.04002	0.7
89.47646	0.5
92.13898	0.5
93.03467	5.8
95.01393	5.3
96.96016	1.7
97.02963	0.5
101.03934	0.7
105.03505	0.8
107.01391	2.6
109.02959	0.9
111.00903	0.8
113.02452	0.7
117.03467	4.1
119.05048	2.1
121.02958	0.9
123.00896	7.1
124.01727	0.7
125.02465	18.7
129.03517	0.5
132.02258	0.6
133.02992	3.6
135.00873	0.6
135.04555	2.7
137.01474	0.8
137.02469	10.3
139.00403	0.5
145.02966	12.1
147.00839	0.8
147.04507	3.2
149.02434	1.7
151.00397	1.0
153.02068	0.5
157.02937	1.6
159.00912	0.8
159.04532	1.1
160.01524	0.6
161.02470	8.3
162.03249	0.7
163.00343	1.6
163.04025	6.5
164.01245	0.6
164.98318	0.6
165.01915	1.6
165.05626	0.6
166.99901	3.6
168.00665	0.9
169.01450	16.7
170.01744	0.5
170.69374	0.4
171.00874	2.1
173.02449	12.2
175.00378	0.8
175.04015	3.8
177.02026	2.2
178.99826	0.8
179.03523	1.2
185.02481	2.1
187.00403	0.7
187.03993	0.8
188.01189	0.8
189.00291	0.9
189.01950	11.6
190.02753	3.3
190.99872	0.6
191.03525	10.1
193.01439	0.6
194.99368	0.5
198.78406	0.5
199.00397	0.9
200.01094	1.1
201.01962	7.0
202.02336	0.5
203.03447	2.8
205.01436	1.4
207.03067	0.5
209.00961	1.1
209.04471	0.5
213.01938	0.9
214.99931	1.0
216.00638	1.4
217.01433	15.6
218.02113	1.6
219.02997	6.3
221.00879	0.8
221.04417	0.5
226.99858	1.2
227.03500	0.5
228.00562	1.9
229.01433	7.6
231.02986	1.8
233.00841	0.6
235.02502	1.7
241.05009	0.5
242.99330	2.3
244.00111	2.0
245.00922	38.0
246.01436	2.7
247.02486	19.9
248.02779	0.7
249.04005	0.7
254.99135	0.9
257.00992	2.9
257.04642	0.5
258.01572	1.0
261.00415	5.8
263.02066	1.7
270.98871	5.7
271.99524	1.1
273.00439	100.0
274.00851	5.2
275.01990	8.3
276.02344	0.8
283.99637	1.6
288.99918	1.6
290.00858	0.7
291.01462	6.1
297.00845	0.5
298.98370	9.6
299.01550	0.5
299.99118	5.5
300.99936	63.4
302.00259	3.1
311.01794	0.6
311.05490	0.7
315.01523	0.6
316.99402	26.9
317.99707	1.5
327.01550	0.9
339.01273	0.7
343.01175	0.7
383.04382	0.5
401.05307	1.3
415.06570	1.1
433.07690	1.8
457.16840	0.5
465.95810	0.5
495.09503	0.6
521.07361	0.7
539.08478	2.2
565.06433	1.7
583.06927	0.6
585.08960	8.4
691.09045	2.2
707.09027	0.7
708.10504	0.7
717.07574	4.5
718.07819	0.9
733.07019	0.7
735.08478	12.1
736.08948	1.7
859.10516	1.1
870.28619	0.5
877.11395	1.0
885.08228	1.9
886.08722	0.6
903.09326	6.2
904.10120	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.231
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45890	0.4
69.46291	1.6
69.83922	0.2
70.18877	0.3
76.08540	0.2
83.01395	0.3
83.32477	0.2
88.12843	0.2
96.96057	0.5
107.01419	1.2
118.00896	0.3
119.05033	0.8
128.80252	0.2
133.02962	5.5
145.02975	0.6
149.02478	1.6
151.00380	4.4
155.56744	0.2
163.03955	0.5
168.78955	0.3
175.04022	2.7
199.03983	2.3
201.01891	0.5
201.98727	0.3
217.05051	1.3
241.05069	0.6
243.02960	0.8
256.03888	1.6
257.04437	0.4
267.03036	0.4
284.03278	2.8
285.04068	100.0
286.04410	6.4
300.99747	0.7
340.49545	0.3
346.67834	0.3
415.68533	0.3
447.09341	59.3
448.09674	5.2
471.13138	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01900	0.6
67.69175	0.2
68.99803	0.3
69.03426	0.2
69.29993	0.8
69.30415	1.1
71.01404	1.3
71.80534	0.2
72.99309	0.4
73.02945	0.6
74.33580	0.2
79.01888	0.8
83.01401	0.6
83.28603	0.2
85.02954	0.9
95.01394	1.1
96.09194	0.2
96.96035	0.4
97.05753	0.2
98.19916	0.4
99.00883	0.2
101.02439	1.2
107.01411	2.0
111.00882	1.4
113.02457	0.6
123.00896	9.4
124.01711	0.7
125.02457	8.3
126.02798	0.2
127.00379	0.4
136.98807	0.9
139.00389	3.2
140.01173	2.5
141.01965	0.9
141.03328	0.2
151.00378	7.9
152.00659	0.2
153.01942	0.7
163.04051	0.4
168.00670	2.2
169.01436	10.9
170.01727	0.4
179.03558	0.3
181.05168	0.3
247.66354	0.2
298.78860	0.2
300.99850	1.5
313.05692	0.8
339.07504	0.2
459.18753	100.0
460.19131	9.4
461.70221	0.3
628.97125	0.2
749.06744	0.4
860.14697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
72.99311	3.3
75.00893	0.2
79.46278	0.2
79.95736	4.1
80.50864	0.2
80.96535	0.7
96.96033	2.7
98.19837	0.4
116.04251	0.3
116.05074	6.3
123.96809	0.2
128.05083	1.9
130.06636	2.9
132.04597	0.7
142.06635	24.2
143.07007	1.0
144.04587	0.8
158.06129	17.6
159.06476	0.5
172.04085	0.5
186.05609	8.4
196.00623	0.4
202.05099	0.2
204.06665	43.2
205.06981	1.8
210.02318	8.3
211.02681	0.3
222.02324	12.4
223.02657	0.7
230.22569	0.3
238.01778	1.7
266.01328	0.6
284.02356	100.0
285.02673	5.1
460.08356	0.2
684.15466	0.2
813.72260	0.2
873.74408	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
67.03992	1.4
71.01128	1.0
71.01397	11.0
73.02924	1.8
75.00874	2.0
79.20547	1.2
81.03474	1.3
83.01398	2.3
83.05040	5.8
85.02946	4.2
87.00893	4.4
89.02457	12.5
95.01374	1.7
96.96000	2.0
97.02956	2.1
101.02464	11.9
111.43530	1.5
113.02460	5.3
119.03493	2.3
125.02464	4.0
129.01953	9.7
130.02255	1.7
135.02994	3.3
143.03487	3.0
161.04591	2.3
163.11302	3.6
165.12910	1.9
179.05612	3.1
209.11833	100.0
210.12189	3.6
210.48460	1.3
227.12929	11.5
229.70500	1.5
229.73097	1.7
235.08217	5.0
259.15585	2.8
277.21741	44.1
278.22147	2.7
287.07816	2.1
305.08871	1.8
379.12515	9.4
397.13498	31.1
398.13773	2.6
415.14532	5.9
607.26263	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	917.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08402	1.5
67.18041	1.6
69.47069	5.1
69.47494	7.2
71.01387	17.1
75.00887	3.1
75.92711	1.5
78.95895	1.8
81.03477	2.7
83.05019	4.9
84.02143	1.6
85.02950	4.3
87.00885	4.9
89.02443	12.0
91.60145	1.8
92.60911	1.6
96.96014	5.3
97.02959	4.0
98.19852	3.6
101.02426	12.6
113.02476	8.7
116.33662	1.5
119.03493	4.3
125.02484	7.6
129.01938	6.1
131.03490	1.8
135.03021	3.2
143.03568	3.1
143.35727	1.6
155.44582	1.5
161.04576	3.5
163.11287	3.5
165.12836	4.1
179.05554	3.1
209.11850	100.0
210.12204	4.9
218.71011	1.6
227.12910	14.5
235.08244	4.9
259.15494	3.6
277.21732	60.4
278.22061	7.2
287.07822	1.9
305.08685	1.7
379.12659	8.6
397.13538	46.3
398.13882	3.0
415.14566	8.8
419.19431	2.0
427.38300	1.7
701.86060	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	917.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	20.6
71.13918	16.0
78.95898	17.2
79.82538	11.2
80.96060	12.1
96.96041	73.4
101.02430	22.4
119.03540	14.3
184.78903	12.8
205.12326	15.7
223.13440	100.0
238.22572	12.3
277.21799	72.3
379.12564	24.9
397.13501	52.4
415.14490	16.9
501.64478	16.4
621.27240	23.7
756.01276	13.6
917.46613	61.0
917.63544	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	917.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
67.84422	1.0
69.03428	1.2
70.11654	1.1
71.01389	16.0
71.56150	1.2
72.99316	1.7
73.02949	1.9
78.95918	1.0
81.03461	2.2
83.01420	1.2
83.05036	7.0
85.02956	4.4
87.00885	3.1
89.02449	14.6
96.96018	11.4
97.02953	3.8
101.02448	13.0
109.06588	1.6
111.08161	10.1
112.90453	1.0
113.02459	7.2
119.03514	5.4
125.02483	6.1
132.14177	0.9
135.08174	1.3
143.03529	2.6
151.11340	1.4
153.12813	1.2
159.49286	1.0
161.04526	2.9
163.11331	4.9
165.12825	2.8
169.01385	1.3
169.12320	4.5
169.13689	0.9
179.05664	4.9
181.12314	1.3
183.13876	1.6
191.10712	1.3
193.12428	0.9
197.11833	51.7
198.09528	1.1
199.13409	1.9
209.11835	100.0
210.12206	5.0
211.13426	10.1
221.06598	2.4
225.11345	1.2
227.12920	13.4
235.08249	4.0
253.09319	1.0
263.20129	3.1
273.18597	2.0
279.02588	1.1
287.07687	2.0
291.19666	13.5
292.19833	1.7
293.21405	1.5
301.00058	1.9
308.72610	1.1
309.20728	85.6
310.21014	5.0
325.20261	1.4
379.12534	3.0
397.13519	41.4
398.13831	2.2
415.14584	19.4
607.26215	2.1
689.33887	1.8
707.34491	1.9
885.72284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	917.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03964	0.3
93.11116	0.2
95.01413	0.3
98.19896	0.8
101.98214	0.2
103.28737	0.2
105.03488	0.3
117.03483	0.7
119.05038	0.3
121.09364	0.2
121.29733	0.2
123.00896	0.7
125.02470	1.9
129.03490	0.6
133.02974	1.3
138.57738	0.2
145.02997	3.2
147.04509	0.7
149.02502	0.3
157.02985	1.2
159.04541	0.8
160.01660	0.3
161.02475	0.9
163.04039	1.9
164.58322	0.2
169.01472	1.9
171.00887	0.4
172.01672	0.8
173.02437	3.5
175.04030	1.0
177.01949	0.7
179.03514	0.3
185.02466	3.3
189.01967	1.1
190.02736	0.5
191.03510	0.5
199.00388	0.5
200.01155	1.7
201.01971	6.8
203.03542	2.2
205.01379	0.5
213.01988	0.6
214.02885	0.5
216.00511	0.3
217.01436	1.0
218.02176	0.3
219.02983	0.4
226.99892	0.6
227.03555	0.3
228.00609	1.1
229.01434	10.6
230.02145	1.6
231.03001	3.9
240.00613	0.3
244.00185	0.5
245.00929	3.0
247.02451	1.7
248.03238	0.3
249.03999	1.4
254.99423	0.5
257.00937	4.9
258.01575	1.1
267.02945	0.6
271.99561	0.4
273.00400	2.6
274.01276	0.7
275.02014	9.9
276.02359	0.5
282.01788	0.4
283.02390	0.4
283.99719	2.4
294.64969	0.2
298.98315	0.3
299.99179	4.3
300.99927	100.0
302.00259	5.8
365.02914	0.3
401.05063	0.3
445.04196	3.6
457.17270	0.3
459.18356	0.3
615.06268	0.9
747.04590	0.9
873.09100	0.3
917.06982	9.6
918.07501	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	915.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00333	0.6
69.44114	2.0
71.01392	0.3
74.49475	0.2
74.97876	0.3
107.01395	1.1
111.00935	0.3
123.00806	0.5
125.02443	1.1
133.02951	4.8
139.00349	0.3
149.02429	0.8
151.00375	4.4
152.03520	0.6
168.00671	0.3
169.01430	1.5
173.02428	0.3
175.04008	2.0
175.08014	0.2
193.49663	0.2
197.06235	0.3
199.04005	1.5
201.01863	0.3
217.05026	0.7
223.04189	0.3
241.05121	1.1
243.03061	0.6
257.04657	0.3
267.02847	0.3
268.03751	2.0
269.04578	3.3
274.09857	0.3
284.03296	0.7
285.04059	100.0
286.04401	7.5
300.99979	1.1
313.05847	0.4
345.25104	0.3
431.09872	2.3
432.10065	0.4
447.09320	40.0
448.09808	3.3
453.03479	0.3
457.17197	5.6
466.09964	0.7
467.10336	0.6
483.18353	0.7
533.63965	0.3
873.96259	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	911.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00325	0.2
71.33462	0.1
71.33810	0.2
74.95910	0.1
77.86520	0.1
80.37724	0.1
94.77493	0.1
98.19984	0.1
107.01418	0.2
109.02972	0.2
117.03454	0.2
121.02932	0.2
121.25652	0.1
129.03506	0.3
133.03006	0.2
145.02979	1.3
146.15456	0.1
147.04520	0.2
151.00407	0.7
157.02954	0.6
161.02383	0.2
163.04034	0.5
171.00967	0.2
173.02437	1.4
178.99960	0.7
185.02452	2.6
189.01918	0.4
191.03539	0.2
201.01962	1.8
213.02029	0.2
217.01443	0.4
226.99854	0.6
227.03584	0.1
228.00623	0.2
229.01433	3.6
230.02000	0.2
240.00497	0.2
243.02985	0.7
244.00143	0.2
245.00902	1.5
254.99252	0.2
255.00331	0.2
255.03030	1.7
257.00912	1.7
271.02502	3.7
272.02887	0.3
273.00439	0.4
282.98965	0.2
283.02383	0.2
283.99658	2.8
299.99179	2.8
300.02808	8.0
300.99927	100.0
302.00253	6.6
322.61771	0.1
324.01016	0.1
403.42783	0.1
609.14648	17.3
610.14966	2.2
772.99677	0.2
914.59021	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	911.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
63.83571	0.2
69.53765	0.4
69.54185	0.8
78.19913	0.2
86.46542	0.2
117.03441	0.4
129.03442	0.3
145.02953	1.2
147.04503	0.2
151.00392	0.9
157.02942	0.6
163.00392	0.2
163.04010	0.3
173.02425	1.2
178.99881	0.5
185.02475	2.3
189.01967	0.3
201.01952	1.9
213.02039	0.2
217.01396	0.4
226.99942	0.4
228.00658	0.3
229.01424	3.6
243.03061	0.4
244.00162	0.2
245.00955	1.7
254.99274	0.2
255.03046	1.4
257.00937	1.4
258.01120	0.2
271.02512	3.2
272.02957	0.5
273.00574	0.4
273.03857	0.2
275.28888	0.2
276.99908	0.3
283.99652	2.6
299.99167	2.2
300.02798	7.7
300.99918	100.0
302.00247	6.8
546.18011	0.2
609.14594	18.2
610.14954	2.1
770.40063	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42403	0.3
69.03452	0.4
69.51167	2.2
71.79979	0.4
79.67837	0.4
89.03983	0.4
89.96812	0.3
93.03514	0.4
93.63294	0.3
95.01411	1.0
96.96011	0.6
97.02985	0.5
107.01385	0.6
107.05000	0.4
108.02219	0.4
109.02956	0.8
111.00923	0.5
114.28753	0.3
115.05550	0.4
117.03493	0.4
119.05044	0.9
121.02979	0.5
123.00910	2.6
123.04545	0.5
124.01679	1.4
124.76511	0.4
125.02457	5.7
129.03505	0.5
131.05042	0.7
133.02962	1.2
133.43994	0.4
135.04517	0.3
137.02457	0.8
145.02969	2.7
147.04535	1.5
149.02473	0.8
157.02966	0.9
158.03783	0.4
159.04526	5.7
161.02484	1.2
163.04010	1.5
164.01152	1.1
169.01442	3.2
173.02402	2.3
175.04034	2.9
177.01932	2.8
177.05600	1.2
185.02457	3.3
187.04008	3.0
189.01979	1.4
190.02745	0.9
191.03522	2.7
192.00697	0.4
193.01450	0.5
201.01997	3.3
203.03543	6.0
204.03886	0.4
205.01419	1.0
205.05081	4.2
211.02419	0.3
213.01932	1.2
217.01375	2.2
218.02180	0.5
219.03052	2.0
221.04573	3.9
229.01401	5.6
230.02069	0.4
231.03003	14.0
232.03409	0.7
244.00183	0.6
245.00909	4.1
246.01735	0.4
247.02512	8.0
248.02896	0.7
249.04070	7.8
250.04559	0.5
257.00952	6.0
258.01602	1.3
266.72781	0.4
273.00427	6.5
274.00940	0.8
275.02011	12.7
276.02341	1.1
283.99646	2.5
291.01559	1.1
293.02960	4.6
294.03610	0.4
299.99188	2.3
300.99918	100.0
302.00287	5.9
303.00351	0.5
313.05746	0.7
435.05530	0.5
437.07266	3.0
438.08179	0.4
455.08566	0.7
587.06683	0.6
607.09888	2.8
608.09100	0.5
615.06934	0.5
739.07837	2.6
757.09619	0.4
909.10095	15.7
910.10645	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	907.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01898	1.9
68.99808	0.6
69.03465	3.0
69.32215	2.7
69.32628	1.4
71.01387	1.4
72.99297	0.9
79.01904	1.9
81.03471	1.1
83.01395	1.2
85.02945	1.2
85.96439	0.5
87.00871	0.7
88.25101	0.5
90.06940	0.5
93.03468	13.4
95.01400	9.2
96.96019	2.0
97.02967	3.8
98.19862	1.0
106.84130	0.6
107.01408	5.6
111.00912	2.5
113.02483	1.1
121.02995	0.7
123.00900	23.7
123.04504	0.6
124.01709	2.7
125.02460	92.7
126.02821	2.1
127.00409	1.2
131.05020	0.7
133.02962	0.8
135.04515	1.0
136.01651	0.7
136.98824	0.8
137.02457	24.9
139.00403	4.6
140.01210	3.0
140.02086	0.6
141.01991	0.7
143.05061	0.6
145.03030	1.1
147.04506	0.7
149.02478	0.8
151.00378	1.4
151.04066	0.6
153.01920	1.0
157.24977	0.5
158.03676	0.5
159.04541	1.6
161.02470	2.0
161.05931	0.5
165.01968	0.7
166.99867	9.8
167.03529	0.5
168.00677	5.6
169.01443	100.0
170.01784	2.4
175.03957	1.3
177.01924	1.4
178.99997	0.5
179.03513	1.7
187.04033	1.9
189.01825	0.7
190.02631	0.6
191.03568	2.5
193.01418	2.3
203.03546	1.2
204.04283	0.5
205.01456	2.9
205.05099	1.5
207.03004	0.8
211.02441	2.1
215.03465	1.6
217.01451	0.7
221.00894	1.1
231.02879	0.8
233.04573	2.2
235.02467	1.4
241.82362	0.5
259.02487	1.3
271.04626	3.1
273.00351	1.1
277.03430	0.9
281.06674	0.8
285.03973	1.5
300.99850	4.4
304.12958	0.5
397.05701	1.4
415.06567	3.6
417.08099	0.6
433.07645	3.3
471.46173	0.5
521.20355	2.2
567.07758	3.5
568.08887	0.9
569.09180	1.7
585.08844	11.2
586.09534	1.2
633.07141	1.7
693.11395	0.8
737.10016	52.1
738.10284	7.9
755.11023	5.9
756.11200	1.0
898.27924	0.6
907.12158	11.3
908.12378	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33550	0.3
67.55450	0.3
69.41222	2.5
71.01390	0.3
85.02968	0.5
95.01404	0.9
96.96007	0.6
103.10012	0.3
117.03434	0.7
119.05070	0.7
121.02968	0.5
123.00919	1.8
125.02462	3.2
133.02968	2.9
135.04538	1.0
137.02464	0.4
139.04001	0.4
145.02965	3.0
147.04541	1.2
149.02469	1.1
157.02943	0.9
159.04529	0.9
160.01668	0.4
161.02422	3.0
163.00337	0.5
163.04086	1.7
163.05273	0.4
169.01460	2.9
170.01855	0.3
173.02446	3.5
175.04033	1.4
177.01932	1.1
185.02419	2.8
185.11505	0.4
187.03967	0.6
189.01926	6.8
190.02641	1.1
191.03511	1.3
200.01175	0.6
201.01955	3.3
203.03430	2.6
205.01512	0.4
213.01895	0.7
214.02802	0.5
214.99870	0.3
216.00630	2.9
217.01442	7.9
217.03496	0.5
218.02068	0.7
219.02997	1.5
226.99883	0.4
228.00644	0.9
229.01442	5.7
230.02055	0.6
231.02985	2.8
244.00169	4.9
245.00928	14.0
245.03418	0.8
246.01546	2.1
247.02483	8.4
248.03110	0.9
249.04094	2.5
257.00952	4.1
258.01663	1.3
259.02408	0.5
270.98880	2.4
271.99271	2.0
273.00436	33.6
274.01031	3.9
275.02005	15.0
275.05066	0.7
276.02359	0.9
283.99634	1.8
285.00406	0.4
285.03955	0.5
287.02066	0.6
291.01480	4.1
292.01657	0.4
299.99051	2.6
300.99908	79.9
302.00241	5.8
314.00806	0.7
329.02802	0.7
447.09454	0.9
459.18738	0.9
463.05042	2.1
633.07355	100.0
634.07684	11.4
722.76929	0.4
907.07135	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
66.31456	0.6
67.50466	0.6
68.89864	0.6
69.73391	3.4
83.54684	0.6
96.96001	1.0
98.19975	1.2
107.01396	1.0
117.03471	1.1
117.22817	0.6
119.05045	0.8
125.02437	3.4
133.02983	3.4
145.02962	3.7
147.04471	0.7
149.02434	1.5
157.02968	0.8
159.04549	0.7
161.02443	3.9
163.04021	2.0
169.01447	5.5
173.02480	3.0
175.04070	1.2
185.02383	2.3
189.01929	6.1
191.03500	1.8
201.01978	3.6
203.03464	1.7
216.00761	3.8
217.01462	8.4
218.02040	0.8
219.03012	0.8
226.99847	0.8
228.00624	1.0
229.01443	5.1
231.02930	1.1
244.00142	7.7
245.00908	15.5
246.01503	2.1
247.02515	12.7
248.02994	1.0
249.04095	2.4
257.00980	3.8
270.99158	1.3
271.02478	1.1
271.99359	1.2
273.00436	46.7
274.00763	2.7
275.01959	8.6
283.99670	2.2
291.01495	8.3
299.99173	1.9
300.02585	1.0
300.99921	100.0
302.00269	6.5
331.06778	1.7
416.75427	0.7
419.06323	1.2
437.07391	0.7
463.08911	1.2
465.09171	1.0
537.78052	0.7
605.07617	1.4
633.07349	40.2
634.07800	5.5
907.08954	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	905.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	16.6
73.44573	4.3
74.07687	3.7
78.95907	6.1
87.00900	7.4
89.02470	9.6
92.44351	3.6
96.95995	4.2
101.02457	13.9
113.02460	9.0
115.22543	4.1
119.03473	5.5
125.02473	7.0
164.83235	3.8
183.13995	4.5
211.13414	100.0
235.08125	8.6
267.80167	4.5
277.21732	68.3
323.09717	5.5
379.12515	14.3
380.95908	3.9
397.13501	65.9
415.14520	13.3
462.95840	3.8
498.52423	4.3
591.26813	11.9
609.27448	10.5
675.35291	5.0
869.48816	6.6
905.46637	44.4
906.47058	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	905.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01894	0.5
67.08052	0.2
69.30179	0.6
69.30597	1.5
71.01382	1.7
72.99313	0.4
73.02953	0.6
74.33891	0.2
78.78472	0.2
79.01893	0.7
81.03489	0.3
83.01412	0.8
85.02961	0.9
87.00882	0.4
89.99134	0.2
95.01401	1.2
97.02988	0.3
101.02441	1.1
107.01389	2.7
107.17301	0.2
110.00107	0.5
111.00891	1.5
113.02435	0.6
123.00894	9.4
124.01692	0.5
125.02456	9.3
126.02801	0.3
127.00383	0.5
133.02951	1.6
136.98822	0.8
139.00401	4.1
140.01154	2.0
141.01990	1.2
149.02371	0.3
151.00381	9.9
153.01897	0.6
163.04036	0.3
168.00659	3.1
169.01439	12.3
175.04062	0.6
199.04066	0.5
201.01897	0.3
211.02469	0.3
215.03342	0.3
217.05099	0.4
241.05107	0.3
253.09743	0.3
270.98834	0.8
285.04074	31.3
286.04434	1.8
295.06729	0.3
302.72513	0.3
313.05551	1.3
447.09341	5.7
448.09567	0.6
457.17178	100.0
458.17490	9.9
788.94531	0.3
816.36255	0.3
838.82013	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
63.41216	0.3
63.86516	0.3
65.00323	0.5
67.26169	0.3
69.31588	0.3
71.01378	0.7
71.57535	0.5
85.02932	0.6
95.01383	0.4
96.96018	3.5
101.02448	0.6
101.87825	0.4
107.01379	1.6
111.00916	0.4
114.18006	0.4
123.00883	3.7
125.02454	4.4
133.02960	4.8
137.02483	0.5
139.00403	1.4
140.01132	1.2
141.01979	0.4
145.03014	0.4
149.02457	1.4
151.00374	5.6
151.04010	0.4
163.52765	0.3
165.01884	0.3
166.02637	0.4
168.00635	0.9
169.01405	4.3
173.02448	0.3
175.03993	2.0
180.04251	0.4
181.05061	0.6
185.06013	0.4
191.03545	0.3
199.04042	1.8
201.01930	1.0
210.05389	0.3
213.05589	0.4
215.03459	0.4
217.05179	1.1
225.07645	1.1
229.01421	0.4
231.12590	0.3
241.04926	0.7
243.03099	0.8
245.00839	0.6
256.03793	1.3
257.04346	0.6
270.98904	0.6
273.00476	1.1
275.01990	1.0
284.03180	1.5
285.04059	100.0
286.04410	7.5
300.99857	4.6
302.00311	1.3
313.05493	0.5
322.00272	0.3
417.08279	46.9
418.08762	5.0
419.08951	0.4
428.55038	0.4
448.09787	0.4
485.20340	38.1
486.20599	3.9
903.66888	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.4
69.32889	2.0
69.33305	4.2
70.81300	0.7
71.01392	16.0
72.99313	1.5
73.02965	2.0
79.95757	0.7
80.02685	0.7
81.03464	1.9
83.01385	1.4
83.05035	5.4
84.02184	1.3
85.02964	3.2
87.00885	4.6
89.02457	13.4
95.01408	1.6
95.05036	1.2
96.96017	9.9
96.96984	1.0
97.02970	2.7
98.87370	0.6
98.95622	0.9
99.00889	1.3
101.02445	13.1
112.98629	0.9
113.02449	7.1
119.03539	4.0
125.02454	4.3
130.28691	0.8
135.08180	0.9
141.01906	0.9
143.03494	1.9
161.04544	2.8
163.11317	4.5
165.12837	3.1
169.01468	1.0
171.10284	2.1
179.05663	3.4
191.10800	1.3
195.13933	6.2
197.11836	1.8
209.11844	94.7
210.12221	4.4
211.13411	5.5
217.07112	0.8
221.06720	1.3
223.13434	4.8
227.12889	12.0
228.13513	1.1
235.06192	0.9
235.08189	4.5
253.09258	2.2
256.13254	1.5
275.20163	8.1
285.03940	0.7
287.07718	1.4
291.19727	1.7
293.21262	100.0
294.21573	7.2
300.99936	1.3
305.08871	2.7
309.20740	2.4
323.10031	0.9
341.23489	1.2
379.12482	2.6
397.13568	33.2
398.13889	1.4
415.14572	12.4
466.36774	0.8
607.26147	1.7
614.38904	0.8
691.35681	1.5
708.80988	0.8
749.35791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	1.1
71.01391	16.4
71.12972	1.2
71.13310	1.2
72.99303	1.3
73.02949	2.9
78.95908	2.7
79.95715	1.2
83.01386	1.6
83.05024	5.6
85.02962	3.6
87.00879	3.7
89.02456	11.6
95.01423	1.2
95.05071	1.0
96.96019	38.0
96.96985	2.5
97.02957	2.5
99.00887	1.8
100.46532	0.8
101.02454	12.0
111.08165	1.5
113.02464	6.1
119.03510	3.2
123.00864	0.9
125.02465	4.6
135.08110	0.9
143.03499	2.6
161.04520	3.2
163.11330	5.6
165.12830	3.0
171.70111	1.1
179.05621	3.2
181.12367	1.1
183.13870	1.0
191.10828	1.4
195.13911	7.2
209.11841	99.5
210.12215	4.1
211.13388	5.9
221.06671	1.2
223.13365	3.4
227.12918	12.2
228.13469	1.4
235.08287	4.6
275.20114	6.2
290.04291	0.9
291.19775	1.4
293.21255	100.0
294.21603	7.2
299.99417	0.9
300.99936	2.1
305.08908	1.5
309.20776	3.0
323.09747	1.6
379.12299	4.3
397.13510	41.0
398.13690	2.3
405.97971	1.0
415.14584	13.5
416.14978	1.0
429.52957	0.9
607.25922	2.6
905.94177	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00317	0.8
69.61982	2.9
69.62399	1.3
71.01382	1.9
79.01994	0.5
83.10392	0.6
89.47874	0.6
95.01414	1.3
96.96031	4.4
101.02467	1.1
107.01399	4.3
108.02195	8.6
121.03026	0.5
123.00900	4.2
125.02462	25.5
133.02995	1.6
138.01985	81.8
139.00418	1.8
139.02321	2.1
140.01129	0.9
149.02325	0.6
151.00401	6.0
154.25073	0.6
166.35210	0.5
168.00636	1.2
169.01439	41.5
170.01796	1.6
172.01868	0.5
199.03784	0.6
211.02463	1.3
241.03326	1.2
256.03809	0.8
271.86612	0.6
284.03287	18.2
285.04062	38.1
286.04514	3.3
299.99066	1.4
300.99866	1.5
313.05673	49.6
314.05997	3.1
327.05130	0.9
447.09409	44.0
448.09683	4.5
452.08368	100.0
453.08722	8.8
453.14441	1.7
492.63455	0.8
597.89752	0.6
633.64508	0.7
769.09479	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03440	4.5
71.01385	15.1
71.57072	3.3
73.02935	1.9
75.00883	1.7
85.02939	4.8
87.00867	4.3
89.02450	9.8
95.01373	1.8
96.95998	5.7
97.02949	3.6
101.02452	7.3
113.02448	4.0
115.00350	4.3
119.03492	3.3
121.19579	1.4
125.02465	3.5
125.09792	2.1
142.33368	1.5
151.11282	2.0
161.04530	2.0
161.09691	2.0
169.01414	1.9
171.10304	2.8
175.02464	6.8
179.10756	6.1
184.53934	1.6
197.11832	39.1
205.51534	1.6
241.10895	3.2
259.99173	1.8
265.14804	6.4
277.18872	2.9
277.21729	38.3
278.22101	2.2
279.57510	1.8
298.98459	2.3
300.99942	3.0
397.13611	3.1
423.90543	1.6
781.43829	3.8
899.46521	100.0
900.46600	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03449	3.6
71.01385	18.2
71.05021	2.8
71.48399	3.0
71.48754	2.2
72.99287	2.9
73.02975	5.2
80.23194	1.9
80.96521	3.6
85.02950	5.2
85.18080	1.8
87.00887	9.4
89.02441	9.4
96.68073	1.9
96.96015	4.4
101.02444	8.9
103.65736	1.9
113.02444	4.9
115.00361	14.1
119.03497	2.2
125.02449	3.5
125.09751	2.5
161.09756	4.5
171.10245	3.6
175.02502	18.3
179.10811	5.0
197.11847	56.1
198.12149	4.3
221.06580	3.7
223.09798	2.9
241.10779	5.6
241.14299	2.7
266.82623	2.1
277.21719	24.2
278.22055	2.4
298.98621	2.8
300.99896	5.9
361.93436	2.3
397.13431	5.2
423.33350	2.5
435.21121	2.6
469.33521	3.8
563.81012	2.2
639.25299	2.3
651.19409	2.2
718.39246	2.3
781.43054	4.5
899.46375	100.0
900.46765	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	899.181
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02399	0.5
66.25218	0.4
70.19392	1.6
78.73974	0.5
80.47380	0.4
86.98734	0.5
98.19980	0.5
101.12101	0.4
107.01390	1.0
107.24483	0.4
117.03476	1.3
125.02502	0.6
127.39613	0.4
145.02983	0.9
149.02483	1.2
151.00369	2.2
160.04063	1.9
161.04395	0.4
181.06647	0.4
225.05530	0.8
239.03487	1.0
240.04338	1.8
267.02997	0.7
268.03787	55.5
269.04556	91.5
270.04886	6.5
282.05499	0.8
285.04123	2.5
286.04446	1.2
287.04926	1.0
288.04977	0.6
300.99857	0.6
311.05563	1.9
349.95178	0.4
431.09854	100.0
432.10199	9.0
465.69223	0.4
466.09772	0.5
467.07413	1.4
483.79526	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.85152	0.2
69.68043	0.4
69.68468	0.7
73.95818	0.2
79.95747	4.3
95.01389	0.4
96.96021	100.0
97.95966	0.2
108.85960	0.2
109.89779	0.2
122.06992	0.2
123.00887	0.5
125.02425	0.9
139.52924	0.2
161.02505	0.4
166.99800	0.2
169.01492	0.9
173.02487	0.3
189.01898	0.4
191.03578	0.3
201.01906	0.4
209.64642	0.2
217.01382	0.8
219.03062	0.2
229.01463	0.8
245.00964	1.0
247.02530	0.4
257.00821	0.3
269.18994	0.2
270.98935	0.2
273.00369	1.6
274.00827	0.2
275.02066	0.5
298.98376	0.4
299.99139	0.6
300.99863	2.8
315.01761	0.2
316.99408	0.2
343.00815	0.2
595.03857	0.4
597.05261	1.6
598.06012	0.2
613.05109	0.3
615.06299	1.4
679.41418	0.2
755.07544	0.3
765.05859	1.8
766.06433	0.5
783.06787	2.3
784.06482	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.4632
Annotation	Unknow
Peak:m/z	Relative Intensity
63.31880	8.1
64.32522	9.0
71.46262	12.9
71.46595	10.1
75.05760	7.5
89.02464	11.2
96.98911	10.5
101.02468	17.1
104.38291	8.5
109.06598	20.4
113.02471	12.2
144.96707	9.0
207.10271	72.8
225.11414	40.6
248.37218	8.3
255.23405	59.2
379.12418	10.6
397.13553	93.6
415.14163	12.4
455.34943	17.6
652.44287	9.3
653.38739	10.1
861.48682	100.0
862.49377	17.4
897.46783	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98883	0.4
65.00302	0.6
70.93687	0.4
77.69854	0.5
79.95740	1.0
93.03458	0.5
95.01397	0.5
96.41531	0.4
96.96027	15.3
105.03381	0.4
117.03455	0.8
119.05031	0.9
119.21245	0.4
125.02416	0.8
133.02945	1.1
145.03004	2.8
147.00871	0.6
147.04568	1.3
149.02449	0.6
157.02988	0.9
159.04514	0.8
160.01683	0.7
161.02481	2.5
163.00388	0.7
163.04016	1.4
165.01956	0.5
173.02406	4.1
175.04005	1.9
177.01985	1.0
185.02477	2.7
187.00397	0.6
187.03999	0.6
189.01959	4.1
190.02710	1.4
191.03540	2.3
199.00410	0.4
201.01967	4.3
203.03516	3.7
209.00885	0.6
213.01933	0.9
214.99907	0.8
216.00642	1.0
217.01410	5.3
218.02087	0.8
219.03015	1.4
226.99887	0.7
228.00546	0.5
229.01416	6.0
230.01912	0.8
231.03017	2.3
242.99400	1.5
243.02910	0.7
244.00113	1.4
245.00919	11.2
246.01352	0.9
247.02457	6.2
248.02879	0.7
249.03952	0.9
257.00992	5.1
258.01654	1.4
261.00586	1.6
270.98895	3.9
271.99478	0.7
273.00446	19.0
274.00909	1.6
275.02023	14.8
276.02380	0.9
283.02231	0.6
283.99741	2.2
285.00497	0.6
287.02078	0.6
291.01517	1.5
298.98370	9.1
299.99084	6.6
300.99918	100.0
302.00269	5.4
312.99902	1.1
315.01459	1.2
316.99429	3.3
319.00864	0.9
331.00854	0.7
340.99411	2.7
343.00967	0.9
435.05698	1.2
451.05289	1.6
453.06760	1.3
461.03415	2.8
463.05054	0.8
472.17294	0.5
479.04681	17.2
480.05066	1.4
497.05829	0.6
535.83319	0.5
703.76190	0.5
781.05524	3.1
782.06232	0.6
799.07086	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	895.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	0.8
69.79953	0.6
71.01390	10.4
72.99311	0.9
73.02963	1.4
77.62967	0.5
83.01419	0.9
85.02956	2.5
87.00885	2.3
89.02454	7.9
95.01391	0.9
96.96019	2.0
97.02928	1.1
101.02451	6.3
113.02474	3.6
119.03537	1.6
125.02473	3.9
131.03468	0.6
143.03511	1.0
161.04605	1.0
167.10994	0.7
167.14438	0.7
177.80316	0.7
179.05623	2.0
183.13908	7.9
192.65865	0.7
193.12352	2.0
207.10146	1.2
211.13409	100.0
212.13762	5.5
220.14706	2.5
221.06862	0.7
221.15517	4.5
225.11310	0.7
235.08292	2.8
236.10550	4.7
273.00351	0.7
275.02020	0.7
287.07541	1.0
293.17731	2.1
300.99963	1.4
305.08887	0.9
306.98453	0.6
323.09821	0.9
341.23813	0.6
379.12421	5.4
397.13544	18.1
398.13681	1.5
415.14502	3.6
581.57391	0.6
591.26477	10.2
592.26770	1.2
609.27655	10.6
609.37012	1.1
610.27966	1.1
785.39880	2.6
786.40387	0.7
803.41095	1.6
804.41321	1.0
886.33881	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98812	1.6
69.03479	1.7
71.01391	18.6
72.99337	1.5
73.02953	2.7
83.01402	2.3
85.02969	5.3
87.00874	4.7
88.61348	1.0
89.02445	12.0
91.37476	1.1
95.01395	1.2
97.02954	3.3
99.00896	1.3
101.02447	14.0
113.02450	9.5
116.92869	1.3
119.03518	3.5
121.02943	1.7
125.02454	8.3
125.09717	1.4
127.11294	1.8
133.05040	1.2
137.02525	1.0
143.03487	2.9
161.04547	4.6
169.29541	1.1
171.10284	100.0
172.10571	3.9
179.05583	3.9
221.06586	1.6
235.08241	6.5
259.08325	1.8
265.99405	1.0
277.21738	70.0
278.22128	5.9
287.07693	2.9
305.08905	1.1
308.54916	1.0
323.09845	1.2
348.27975	1.1
364.75613	1.1
379.08008	1.4
379.12518	16.3
397.08356	2.3
397.13531	42.6
398.13501	3.2
414.95224	1.1
415.14545	8.9
551.23486	2.9
569.24451	2.7
641.54736	1.1
675.35852	4.0
676.37524	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98816	1.1
69.90661	4.2
71.01397	18.5
73.02964	1.8
75.76040	1.2
81.03459	1.3
83.01386	1.4
85.02963	3.4
87.00905	5.0
88.61594	1.1
89.02467	12.9
91.00704	0.9
92.12400	1.0
95.01395	2.3
97.02954	3.2
101.02458	10.6
111.04556	1.2
113.02480	8.2
116.92872	4.6
117.65786	1.1
119.03487	3.2
122.52489	1.0
125.02453	6.4
125.09766	1.4
127.11250	3.4
127.19590	1.0
143.03549	2.3
145.52852	1.0
161.04524	3.2
171.10298	100.0
172.10597	3.5
179.05589	3.2
209.11852	2.9
210.12207	1.2
217.07152	2.1
235.08237	5.4
270.79480	1.2
277.21759	57.6
278.22049	4.2
279.23221	1.3
287.07779	2.3
305.08920	2.5
354.41357	1.2
379.12531	13.9
383.76285	1.1
397.13559	41.7
398.13812	3.5
415.14685	8.8
551.23602	2.8
569.24207	4.1
657.35504	2.1
675.36072	2.6
736.22559	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00323	0.7
69.25295	2.6
69.25699	0.6
96.96036	0.4
107.01410	1.0
119.05039	0.7
125.02465	0.8
133.02954	4.3
145.03001	0.5
149.02463	1.3
151.00378	3.8
160.03975	0.4
160.85034	0.4
169.01439	0.8
175.04010	2.1
197.06071	0.4
199.03995	1.4
217.05049	1.0
218.81978	0.4
241.05011	0.9
243.02969	0.7
256.03775	1.1
284.03302	1.7
285.04074	100.0
286.04410	6.6
293.13989	0.4
300.99890	1.0
307.08340	0.4
408.11273	0.4
417.08273	48.5
418.08627	5.1
454.81165	0.4
471.12506	0.6
509.37833	0.4
851.84314	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	1.2
69.27840	2.0
70.83292	0.2
71.01388	15.0
72.99306	1.2
73.02956	2.7
80.02697	1.0
81.03460	1.8
83.01393	1.7
83.05029	4.8
84.02161	0.7
85.02964	3.1
86.00145	0.2
87.00883	4.0
89.02450	13.7
95.01400	1.4
95.05035	0.8
97.02971	3.0
99.00875	1.2
99.04515	0.5
101.02454	10.5
109.06599	0.3
111.00923	0.3
111.04517	0.9
113.02463	6.9
115.04016	0.3
119.03497	3.2
125.02458	5.4
125.06069	0.6
127.04040	0.4
127.30444	0.2
131.03525	0.5
133.05092	0.4
135.08221	0.6
139.04005	0.7
141.01968	0.3
143.03517	2.4
145.05034	0.3
149.04559	0.3
151.03987	0.3
161.04564	3.4
163.11288	4.2
165.12840	2.9
179.05640	3.4
181.12315	0.4
185.04543	0.5
191.10765	1.2
199.06093	0.5
209.11836	100.0
210.12166	4.5
217.07161	0.8
221.06651	1.9
227.12895	11.5
228.13184	0.5
233.22905	0.3
235.08200	5.0
235.10397	0.4
236.08530	0.3
251.13022	0.5
253.09285	0.7
259.08194	0.5
263.07822	0.4
277.21735	51.3
278.22058	3.8
287.07727	1.9
291.23306	0.4
305.08884	1.7
306.82227	0.3
323.09824	1.1
323.35178	0.3
379.12463	5.9
380.12875	0.3
397.13528	37.4
398.13803	2.2
415.14584	9.5
416.14783	0.7
542.92786	0.3
607.26074	0.7
675.36237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03451	0.8
71.01387	13.2
71.05041	0.3
72.99319	0.9
73.02951	2.2
73.52689	0.2
73.81112	0.2
75.00869	0.5
79.95760	0.2
80.02704	1.1
81.03459	1.9
83.01395	1.7
83.05036	5.9
84.02172	0.8
85.02962	3.4
86.00133	0.2
87.00889	3.2
89.02451	10.7
93.03429	0.3
95.01413	1.2
95.05035	0.6
96.96009	0.3
97.02953	2.1
99.00888	0.7
99.04559	0.3
101.02451	9.4
109.06599	0.3
113.02465	5.6
115.04018	0.3
119.03506	2.8
121.02919	0.2
125.02454	4.9
125.06120	0.6
131.03490	0.5
133.05110	0.4
135.08176	0.7
139.04031	0.4
140.06967	0.2
141.01920	0.2
143.03529	2.2
147.11839	0.4
149.04649	0.4
161.04559	2.9
163.10046	0.4
163.11313	4.1
165.12868	2.6
167.03497	0.4
179.05627	3.1
181.12360	0.6
185.04579	0.3
191.10822	0.9
199.06169	0.5
209.11841	100.0
210.12173	4.4
217.07204	0.7
221.06709	1.3
227.12897	9.8
228.13199	0.5
233.11852	0.2
235.08238	4.1
236.08725	0.2
245.06599	0.3
251.12825	0.9
253.09354	0.7
259.08228	0.3
262.31464	0.2
263.07700	0.4
275.20157	0.2
277.21744	39.9
278.22107	2.7
287.07745	1.1
291.23325	0.3
305.08734	1.6
323.09872	1.1
379.12485	5.2
380.13007	0.3
397.13528	28.1
398.13745	1.7
415.14636	7.6
416.15045	0.4
471.34848	0.2
607.26404	0.9
675.35681	0.3
741.03687	0.2
885.47522	0.4
912.46863	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
65.81760	0.2
68.99810	0.3
69.03445	1.2
71.01390	16.7
72.99321	1.6
73.02950	2.4
80.02681	1.4
81.03474	1.7
83.01392	2.1
83.05034	4.9
84.02164	0.8
85.02959	3.9
87.00890	4.6
89.02455	14.7
91.04035	0.4
92.22869	0.3
93.03492	0.5
95.01393	1.7
95.05035	0.6
97.02963	2.7
98.20683	0.8
99.00877	1.0
101.02456	12.4
102.02793	0.3
103.00413	0.3
109.02957	0.3
109.06595	0.3
111.00856	0.4
111.04530	0.8
113.02460	6.4
118.68594	0.2
119.03517	4.2
121.02975	0.4
125.02462	5.7
125.06113	0.4
131.03484	0.7
133.05099	0.5
135.08186	0.8
137.99467	0.2
139.04012	0.4
141.01936	0.4
143.03503	2.7
145.05003	0.4
149.04547	0.5
161.04547	3.0
163.11290	3.9
165.12886	2.6
167.03531	0.5
179.05641	3.5
181.12381	0.5
191.10774	0.7
199.06149	0.5
207.10211	0.4
209.11842	100.0
210.12181	4.6
215.72681	0.3
217.07217	1.0
221.06726	1.5
227.12904	13.3
228.13248	0.7
229.48306	0.4
235.08244	5.4
245.06602	0.3
251.12976	0.5
253.09274	0.9
259.08176	0.4
263.07742	0.6
275.20044	0.3
277.21741	52.1
278.22079	3.9
287.07794	1.2
291.23190	0.3
305.08841	1.7
319.22827	0.4
323.09763	0.9
379.12430	5.6
380.12906	0.5
397.13535	39.0
398.13715	2.4
415.09076	0.5
415.14606	9.5
416.15100	0.5
589.24518	0.4
607.26398	0.9
657.34326	0.4
675.35962	0.5
704.76202	0.3
885.48035	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	2.3
69.03464	1.8
70.86523	0.9
70.86866	1.0
71.01388	24.4
72.99327	2.1
73.02963	3.6
80.02678	1.5
81.03468	3.4
83.01385	2.4
83.05040	3.7
83.55618	0.5
84.02153	0.6
85.02954	5.0
87.00885	5.5
89.02455	17.4
91.04009	0.5
93.03476	1.2
94.07337	0.5
95.01402	2.0
95.05027	1.3
97.02960	12.1
97.06602	0.5
97.66630	0.5
98.20699	0.5
99.00866	3.4
101.02449	16.5
106.04253	0.9
107.05015	1.2
109.06604	37.6
110.03765	2.1
110.06935	1.2
111.00942	0.6
111.04504	1.1
112.55367	0.5
113.02473	8.8
119.03519	4.6
121.06606	2.8
123.04508	1.2
125.02460	7.3
125.09785	0.7
131.03561	0.8
135.08179	5.2
136.05330	1.5
137.06169	0.5
139.04063	0.6
140.80867	0.5
141.01958	1.5
142.02739	2.8
143.03557	2.9
145.10284	0.6
149.04544	0.5
161.04587	4.3
161.09714	2.5
163.11304	19.9
164.11604	0.5
167.03682	0.5
179.05624	5.5
179.10785	0.9
181.12386	5.3
189.09206	2.6
207.10275	100.0
208.10600	5.4
209.11853	2.7
217.07164	1.0
221.06740	3.2
225.11331	46.0
226.11658	2.2
235.08267	4.7
243.12421	1.7
253.09286	1.0
277.21735	53.7
278.22110	4.3
287.07791	2.1
299.15100	1.6
305.08820	1.9
323.09833	0.9
363.81131	0.6
379.12466	5.8
390.00677	0.6
397.13528	38.5
398.13757	2.6
415.14594	11.6
416.14893	0.6
441.33881	1.3
587.23920	1.0
605.24548	6.5
606.24945	1.1
623.25696	9.2
624.26331	0.7
659.47931	0.5
865.46655	1.0
883.47003	46.8
884.47211	12.5
884.64716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.47
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	3.1
62.83521	0.7
69.03465	1.6
70.80286	0.7
71.01389	24.4
71.57185	0.8
72.99312	1.8
73.02956	4.0
74.92637	0.7
80.02695	0.9
81.03451	3.9
83.01377	3.6
83.05045	2.3
85.02953	6.3
87.00887	5.7
89.02454	20.2
91.04008	0.8
93.03467	0.9
95.01401	2.5
95.05048	1.0
96.96021	2.2
97.02954	13.2
97.06618	1.0
99.00887	2.8
101.02460	18.0
109.06599	31.9
110.03744	2.0
111.00909	1.6
111.04569	1.4
113.02460	11.9
119.03519	4.7
121.06585	1.3
123.04549	1.0
125.02457	8.3
125.09772	0.9
131.03519	1.2
135.08170	4.0
136.05310	2.0
141.01994	1.4
142.02730	2.9
143.03514	2.8
149.04504	0.7
161.04527	3.7
161.09703	2.3
163.11299	19.8
164.11578	1.0
179.05594	4.6
179.10806	1.1
181.12379	3.3
189.09250	1.9
207.10274	100.0
208.10617	4.9
209.11882	1.8
214.54071	0.8
217.07304	1.1
221.06638	2.0
225.11333	36.1
226.11671	2.3
235.08270	6.1
243.12376	1.6
253.09210	1.0
263.07645	1.0
277.21732	69.2
278.22147	5.5
287.07739	1.5
299.15060	1.6
305.08875	1.8
319.22644	1.0
323.09772	1.6
325.68842	0.8
379.12436	5.2
397.13516	50.5
398.13843	3.9
415.14603	13.8
416.14886	1.1
605.24615	6.2
623.25439	5.5
675.36279	1.1
865.45831	1.3
883.47003	53.7
884.47607	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	881.328
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01934	0.6
71.01413	2.1
71.57063	0.5
79.01923	0.5
81.08238	0.4
83.01418	0.6
85.02982	0.8
89.02448	0.6
91.54795	0.4
95.01398	1.2
96.96051	0.5
97.02973	0.5
101.02461	0.8
107.01394	2.5
110.00175	0.4
111.00887	0.9
113.02459	0.5
117.03513	0.4
120.99670	48.6
122.00019	0.5
123.00896	8.5
125.02463	11.0
136.98840	0.9
137.02495	0.4
139.00385	3.2
140.01170	1.6
141.01949	1.0
145.02939	0.7
151.00377	5.9
153.01988	0.5
153.09192	0.6
157.02962	0.9
163.03992	0.5
167.03508	0.5
168.00679	3.4
169.01443	15.5
170.01830	0.6
173.02457	1.2
185.02454	2.1
189.01909	0.6
201.01985	1.4
205.12340	0.7
211.02484	3.6
217.01402	0.5
228.00639	0.4
229.01410	3.0
245.00850	0.9
255.10564	0.4
257.00955	1.1
271.04611	3.7
273.00513	0.5
283.99707	2.2
284.02429	0.4
284.99734	0.4
285.04160	1.0
287.55353	0.3
299.99164	1.8
300.99921	84.3
302.00293	6.1
313.05591	1.1
343.08374	0.7
343.12195	0.4
384.82077	0.3
447.09235	1.0
493.10742	0.5
537.19806	100.0
538.20142	12.7
565.84656	0.4
796.83765	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01366	0.4
71.56324	0.3
82.58199	0.2
89.23853	0.2
96.96040	0.4
107.01396	0.4
117.03454	0.3
120.99662	6.0
121.00485	0.4
123.00873	1.1
125.02461	2.1
129.03511	0.3
139.00407	0.3
140.01186	0.3
145.02975	1.3
151.00383	0.5
152.00909	0.2
157.02966	0.6
161.02473	0.4
163.04047	0.3
168.00620	0.3
169.01433	2.6
172.01808	0.2
173.02402	1.1
185.02434	1.9
191.05627	0.2
200.01108	0.3
201.01958	1.5
211.02496	0.5
211.08014	0.2
217.01445	0.4
226.99936	0.4
228.00578	0.2
229.01469	3.0
245.00902	1.4
254.99409	0.3
257.01016	1.7
271.04633	0.5
283.99716	2.1
284.02689	0.3
285.03979	0.6
299.99176	2.5
300.99918	100.0
302.00281	6.5
342.93317	0.2
343.08682	0.3
387.12921	0.3
447.09048	1.0
493.09900	0.6
537.19769	10.0
538.19940	0.9
540.63245	0.2
881.76221	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1065
Annotation	Unknow
Peak:m/z	Relative Intensity
66.15314	0.4
71.56683	0.4
71.57069	0.5
74.50626	0.3
96.96005	2.1
104.34936	0.3
132.02219	0.4
172.01685	0.7
173.02417	0.4
185.02440	0.7
188.56987	0.3
191.03455	0.4
200.01138	1.1
201.01984	0.6
216.00764	1.6
228.00589	1.2
229.01437	1.4
242.99277	0.9
243.33839	0.4
244.00092	1.9
245.00946	0.6
257.01019	0.7
271.99631	1.6
273.00320	0.7
282.98969	0.5
283.99667	1.0
298.98483	0.6
299.99127	100.0
300.99860	60.2
302.00272	4.4
403.19016	0.3
404.58163	0.4
433.04132	66.7
434.04462	6.2
447.05707	47.4
448.06201	4.5
754.84985	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.52242	0.2
65.00321	0.5
69.27174	2.6
82.39513	0.3
83.01382	0.4
107.01398	1.2
113.09100	0.3
121.03009	0.4
133.02950	5.6
145.02924	0.8
148.64197	0.3
149.02432	1.2
151.00377	3.8
156.53976	0.2
169.06561	0.3
175.04002	2.0
197.06113	0.3
199.04034	1.7
201.01994	0.4
217.05034	1.4
241.05104	1.1
243.03026	0.6
256.03787	0.3
257.04474	0.3
268.03860	0.5
269.04575	0.7
284.03302	0.4
285.04071	100.0
286.04407	6.9
431.09607	0.4
447.09250	15.8
448.09741	1.7
852.79895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
69.31090	3.7
71.01381	3.2
72.32585	0.5
72.99354	0.6
73.02995	1.2
79.01930	1.0
83.01454	0.8
83.69500	0.5
85.02957	2.3
90.29582	0.5
95.01456	1.8
97.03006	0.8
101.01891	0.5
101.02514	1.8
106.82252	0.5
107.01402	3.6
110.00127	0.7
111.00936	1.9
113.02524	1.3
121.64052	0.6
123.00898	14.6
123.01730	0.9
124.01783	0.7
125.02467	13.8
125.03292	1.0
127.00413	1.0
136.98831	1.2
139.00386	6.2
140.01161	2.6
141.02000	2.2
151.00385	13.1
152.00757	0.6
163.04097	0.5
168.00687	4.1
169.01440	20.4
170.01883	0.5
181.05121	0.7
211.02567	1.4
233.99393	0.5
247.02440	0.7
271.04736	1.3
300.99948	1.7
313.05652	2.0
421.11441	65.9
422.11850	5.0
457.17184	100.0
458.17523	9.7
541.64331	0.5
607.79272	0.5
715.19427	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4672
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	14.1
71.27009	3.5
72.98735	2.2
73.02955	3.3
82.34869	1.8
85.02962	2.5
87.00856	3.4
89.02434	12.4
96.96046	9.6
97.06602	5.0
98.95594	2.1
101.02439	10.5
105.00259	2.0
113.02438	3.7
125.02462	2.1
131.88435	1.9
151.11308	10.0
161.04591	2.0
169.12373	42.0
170.12746	2.5
195.10175	1.9
213.11308	7.9
221.06732	2.9
235.27245	2.1
277.21756	31.6
278.22168	5.3
397.13324	5.0
401.46954	1.9
534.33258	2.0
534.92249	2.3
621.41669	2.1
871.46979	100.0
872.47156	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	30.9
71.55970	25.5
80.96561	24.1
92.24472	18.6
93.16546	19.7
116.92831	25.6
227.20044	24.6
235.08299	24.9
241.66878	22.0
277.21695	90.3
341.23227	100.0
351.03259	22.2
766.17957	22.7
832.17096	22.9
873.51740	35.8
874.53461	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	871.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	14.0
64.48621	4.6
69.81628	29.3
70.14514	5.1
71.01374	15.9
77.43806	4.6
82.95444	8.6
89.02449	12.8
96.96035	58.4
96.96977	5.5
101.02462	7.8
107.49706	5.0
109.06566	6.5
116.92850	8.6
139.15610	4.3
183.13873	10.0
209.11752	6.2
211.11497	7.0
211.13423	100.0
212.13817	9.8
221.15552	8.7
235.08284	7.3
291.19797	5.2
300.99695	9.9
309.20630	6.2
310.32278	5.3
356.67133	5.2
379.12350	6.1
397.13550	36.6
415.14236	5.6
591.26752	26.4
609.27594	17.0
613.73163	5.7
803.41229	8.1
832.57465	6.3
836.49341	6.2
871.40924	40.0
872.40997	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	871.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.45182	1.5
61.98823	2.5
68.99568	2.8
69.03426	1.6
71.01387	15.7
71.57066	2.0
72.54375	1.5
73.02943	2.1
83.01389	1.8
85.02953	6.0
87.00887	2.8
89.02451	12.5
96.94563	1.5
96.96024	8.9
97.06625	1.9
101.02460	9.2
113.02469	5.1
119.03519	3.6
125.02464	3.6
140.41124	1.4
151.11285	9.9
157.44090	1.3
161.04515	2.6
169.12354	61.2
170.12688	3.8
195.10280	2.3
209.11748	1.6
213.11345	11.0
221.06618	3.8
275.39764	1.5
277.21744	17.5
278.21973	2.7
300.99585	1.7
397.13458	3.3
404.01517	1.7
593.93134	1.6
611.25397	4.2
627.76324	1.8
755.33704	1.6
860.26782	1.6
871.47021	100.0
872.47333	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	871.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54066	0.5
68.07398	0.5
69.56268	0.9
69.56681	2.9
70.39606	0.5
71.70985	0.6
89.30492	0.5
94.11454	0.6
98.20637	0.8
133.02939	3.2
149.02429	0.7
151.00348	2.7
175.04021	1.9
175.74098	0.5
199.04016	1.2
201.01819	1.0
217.05174	0.7
241.05020	0.6
243.03197	0.7
285.04074	100.0
286.04407	6.7
393.51096	0.5
405.17792	0.5
407.03525	0.5
417.08295	65.2
418.08636	7.2
566.57349	0.5
758.14984	0.6
862.05676	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	0.4
67.06575	0.4
68.99570	3.5
69.03444	1.6
69.35600	3.0
71.01389	16.6
72.99311	1.7
73.02951	3.3
78.60574	0.4
78.95886	0.5
79.68001	0.4
81.03455	0.9
83.01385	2.3
85.02953	4.1
86.00121	0.4
87.00896	4.4
89.02451	15.9
95.01390	1.6
96.96024	1.9
97.02946	3.2
98.03643	0.4
98.19977	0.9
99.00896	1.4
101.02457	12.6
104.00848	0.3
111.04544	0.7
112.98566	2.9
113.02456	7.4
119.03507	3.8
121.02952	0.4
125.02461	5.7
131.03535	0.8
133.05081	0.9
139.04004	0.6
141.01903	0.5
143.02478	0.6
143.03444	2.4
161.04568	3.2
167.03505	0.4
167.14372	0.6
171.98901	0.5
179.05608	4.1
183.13904	6.5
184.14365	0.4
193.12381	1.9
199.06073	0.5
211.13405	100.0
212.13728	5.2
217.07201	1.1
221.06641	1.6
235.08276	5.3
253.09276	1.3
259.08276	0.8
277.21744	53.4
278.22131	4.7
287.07672	1.8
291.23459	0.7
305.08701	2.2
323.09778	0.9
379.12424	8.3
379.16907	0.7
380.12799	0.8
397.13522	38.3
398.13928	2.7
415.14606	8.2
441.19827	0.4
574.86133	0.4
591.26587	3.1
609.27570	2.0
675.35889	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	869.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	2.5
68.99567	0.5
69.03462	1.2
71.01384	15.5
72.99306	1.2
73.02952	2.1
78.95916	0.7
81.03449	0.8
83.01406	2.0
85.02952	3.6
86.77811	0.3
87.00877	3.8
87.04541	0.3
89.02451	14.4
91.04000	0.4
95.01387	1.0
96.96023	5.3
96.96973	1.1
97.02966	2.5
99.00900	0.8
99.04587	0.4
101.02453	11.5
102.02817	0.4
111.04549	0.8
112.98611	0.4
113.02459	7.6
119.03493	3.4
125.02459	6.1
131.03505	0.4
139.03963	0.6
141.01981	0.5
143.03510	2.7
161.04576	3.8
179.05635	4.1
181.12372	0.5
183.13908	6.7
185.04596	0.4
193.12318	1.7
199.06091	0.6
211.13403	100.0
212.13733	5.6
214.86113	0.4
217.07153	0.5
221.06718	1.3
235.08249	5.4
245.06625	0.4
253.09326	0.8
253.14430	0.6
259.08279	0.7
263.07599	0.6
277.21738	47.5
278.22131	3.7
287.07733	1.7
305.08801	1.5
323.09796	1.5
368.32956	0.4
379.12491	7.6
380.13181	0.6
397.13516	37.1
398.13776	2.3
407.90640	0.4
415.14566	8.4
415.19846	0.8
416.15060	0.4
591.26410	3.3
609.27643	3.4
610.28137	0.4
657.34790	0.4
675.36060	0.6
737.60980	0.3
765.48425	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	2.8
65.00282	1.5
66.36707	1.4
68.99828	23.0
69.00176	2.7
71.01384	5.9
71.57883	1.9
72.99305	1.6
75.00864	1.5
79.69101	1.2
81.03458	3.4
83.01395	1.6
83.05030	3.7
83.40430	1.3
89.02443	6.9
92.49123	1.6
93.03486	2.0
95.01403	6.2
96.96027	6.2
97.02959	3.4
101.02440	6.4
105.03466	2.0
108.02195	2.6
109.02999	8.5
113.02464	4.1
115.32342	1.2
119.03529	1.8
120.02180	1.8
121.02985	4.4
123.00896	22.6
123.04529	2.5
124.01618	4.3
125.02477	18.0
129.01949	3.9
137.02444	13.2
137.99547	2.9
138.03244	44.4
139.00395	2.1
139.04050	9.9
145.03006	1.8
147.00896	2.7
147.04529	1.4
148.01674	2.7
149.02414	6.2
150.03181	3.9
151.00410	1.5
151.03983	6.4
153.01984	19.8
153.05591	65.7
154.05922	1.7
160.01619	3.2
161.02435	3.5
161.04626	1.9
162.03207	5.9
163.00365	4.9
163.03984	6.1
163.11317	3.1
165.01938	18.2
165.12868	2.5
166.02750	3.4
168.04294	69.2
169.01437	3.6
169.04646	2.5
175.00417	16.9
175.04033	4.5
176.01164	52.7
177.01936	43.5
177.05580	2.8
178.02727	24.0
179.03508	3.9
179.05666	1.7
180.04326	9.9
181.05066	4.3
189.01866	1.6
190.02756	4.1
190.06305	1.9
191.03514	52.8
192.04300	72.2
193.01422	36.1
193.05083	30.0
194.02132	3.1
194.05911	3.3
195.06552	7.8
203.07008	1.9
205.05116	4.1
205.08656	3.0
206.05753	2.4
207.06650	92.7
208.03784	45.0
208.06990	4.0
209.04555	12.7
209.11842	69.4
210.05283	2.3
210.12148	3.3
220.07558	1.6
221.08205	2.7
222.01686	1.6
223.06143	100.0
224.06648	6.5
225.07712	20.9
227.12939	11.0
238.04825	5.6
251.09183	1.6
259.15475	2.3
287.07788	1.6
300.99863	4.8
327.08817	1.7
341.10461	2.2
356.12576	3.4
357.13419	3.8
387.14667	3.4
397.13513	17.1
415.14557	4.7
416.14899	3.1
417.15472	4.3
516.59351	1.6
613.22919	4.2
642.23273	38.4
642.32574	1.5
643.23749	17.1
837.30347	6.8
849.29724	6.1
867.30963	46.1
868.31427	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	865.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99575	2.0
61.98831	21.8
71.01389	4.1
80.96524	6.3
87.25270	2.4
89.02463	2.5
94.19488	1.8
101.02444	4.7
111.08182	5.6
113.02456	2.5
149.31834	2.0
189.56113	2.0
197.11838	29.5
201.97389	2.1
208.17781	2.3
211.13423	7.6
225.00749	2.7
235.08218	10.2
253.09300	15.8
263.20227	2.4
277.21741	100.0
278.22015	8.6
291.19714	15.9
309.20746	42.3
310.21078	2.5
472.18021	2.3
559.63965	2.5
794.47156	2.5
865.50214	6.4
880.14716	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	865.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	1.3
68.48878	1.0
71.01406	1.2
71.56632	2.3
93.53934	1.2
96.95991	1.6
96.99329	11.7
97.02982	1.1
123.03564	1.2
123.54205	1.1
140.31891	1.1
141.01723	100.0
142.02090	1.8
145.67293	1.4
168.47939	1.1
209.11833	15.4
210.12315	1.6
227.12933	2.8
231.10016	4.5
235.08214	1.5
248.84732	1.2
249.11041	2.2
253.09236	1.3
275.06555	1.4
275.70258	1.3
277.21750	21.2
278.22079	1.8
291.12164	2.3
359.22076	3.3
509.32346	1.8
528.92603	1.2
663.07800	1.3
720.32550	1.4
865.48456	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	865.457
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56393	1.1
71.56890	1.1
78.95866	1.0
88.98730	1.1
96.99326	7.6
107.63286	1.2
117.33887	1.0
122.26014	1.1
141.01717	100.0
142.02049	1.8
188.22672	1.0
209.11845	21.2
227.12833	2.3
231.10037	4.5
235.08292	2.0
249.11090	2.1
253.09225	1.4
277.21783	12.0
291.12097	2.1
359.21890	2.6
445.20587	1.7
467.18045	1.6
509.32819	1.6
671.37878	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	11.3
71.01391	22.2
71.57207	9.4
78.95902	12.1
84.40958	8.8
86.46996	8.9
89.02448	23.9
96.96004	8.7
101.02451	17.8
113.02439	13.0
124.94642	7.6
125.02445	9.0
141.01753	8.1
151.37764	7.6
151.95514	7.0
171.10298	77.2
195.86633	8.7
207.10291	19.1
209.11899	8.5
235.57379	7.4
268.29718	7.7
277.21750	100.0
278.21912	7.9
300.99847	13.0
379.12473	16.8
397.13498	75.7
400.31100	8.7
415.14426	15.5
857.49945	10.2
865.43030	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	865.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	12.6
65.03967	9.7
71.01398	23.4
78.95914	12.6
89.02495	11.0
92.92806	15.7
98.19909	32.0
101.02455	10.3
109.06604	12.9
113.02483	16.2
125.02452	14.5
141.01740	11.6
161.04619	11.2
171.10274	100.0
207.10313	16.2
209.11967	14.2
277.21725	80.6
300.99881	12.3
343.78915	10.5
371.80234	10.6
379.12424	26.0
397.13498	61.3
398.13974	13.6
445.19989	9.1
450.04916	10.0
469.04639	10.4
514.47424	9.8
551.23914	11.7
569.24774	13.2
769.06689	11.2
865.43304	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	863.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
62.62513	0.3
68.99817	0.3
69.03461	0.9
70.53658	0.7
70.54023	0.6
71.01392	14.8
72.01746	0.3
72.99331	1.8
73.02954	2.2
76.89098	0.3
80.02692	1.1
81.03455	1.9
83.01387	1.7
83.05041	5.1
84.02186	0.8
85.02959	3.8
87.00889	4.3
87.04533	0.3
89.02457	13.8
93.03423	0.4
95.01383	1.3
95.05037	0.9
96.96052	0.3
97.02971	2.3
99.00892	1.0
101.02458	11.6
111.04521	0.6
113.02467	6.7
115.03991	0.4
119.03518	3.5
123.00925	0.4
125.02463	6.2
125.06071	0.5
131.03516	0.6
133.05095	0.4
135.08215	0.7
139.03987	0.4
141.01808	1.9
143.03519	2.5
149.04572	0.4
161.04584	3.3
163.11307	3.5
165.12868	2.2
167.03490	0.4
170.08672	0.3
179.05623	3.2
181.12329	0.5
191.10863	0.9
199.06149	0.5
208.41135	0.3
209.11850	100.0
210.12199	5.0
211.07729	0.5
217.07149	0.7
221.06859	1.4
223.62924	0.3
227.12920	11.7
228.13239	0.7
235.08253	4.9
235.10443	0.5
245.06624	0.6
251.12982	0.4
253.09355	0.9
255.23320	54.0
256.23630	3.8
259.08185	0.6
263.07819	0.4
269.24908	0.8
277.09409	0.5
287.07794	1.9
301.09363	0.4
305.08801	1.8
323.09854	1.1
334.79605	0.3
361.11307	0.4
376.52216	0.3
379.12473	8.2
380.12921	0.7
397.13544	38.6
398.13971	2.6
415.14627	8.1
416.15051	0.8
568.22217	0.4
589.24933	0.6
607.26196	0.8
635.37061	0.5
651.40527	0.4
653.37885	1.8
685.69177	0.3
863.49957	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98850	0.6
68.94733	0.5
69.03455	1.1
71.01387	11.0
72.37309	0.5
72.99306	1.3
73.02953	1.8
78.95912	0.9
80.02678	1.3
81.03464	1.8
83.01408	1.8
83.05031	4.9
84.02188	0.7
85.02959	2.4
87.00861	2.6
89.02448	11.1
95.01398	1.4
95.04994	1.0
97.02951	1.4
98.19817	0.8
99.00928	0.6
101.02448	10.1
105.01904	0.7
113.02456	5.5
116.92908	0.7
117.03474	0.7
119.03513	3.0
119.05029	0.9
121.03120	0.6
123.00900	0.5
125.02470	4.6
125.06052	0.7
131.03497	0.6
143.03491	2.3
145.02977	2.0
161.04553	3.1
163.11299	4.3
165.12880	2.6
178.58330	0.6
179.05595	3.8
179.41847	0.5
181.12340	0.8
191.10779	1.2
199.13412	0.6
209.11833	100.0
210.12175	6.2
217.07214	0.7
221.06641	1.2
227.12900	11.7
235.08214	4.8
251.12747	0.8
253.09248	0.7
255.23308	43.5
256.23666	3.3
259.08115	0.6
263.08060	0.6
269.24863	0.8
287.07803	1.0
305.08725	1.5
323.09741	1.1
379.12460	8.2
380.13669	0.7
389.85785	0.5
392.44171	0.6
397.13507	31.7
398.13855	1.9
415.14606	7.9
416.14658	0.6
607.26154	1.2
653.37793	0.7
863.49957	2.6
899.20001	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98824	6.6
69.64052	3.9
71.01401	8.4
78.95929	6.1
79.95783	6.3
80.06587	4.1
89.02479	3.9
96.96024	49.6
98.20668	8.6
99.92596	12.3
114.15583	4.4
116.92873	100.0
117.01891	7.0
117.92889	6.2
132.39845	4.1
197.11827	16.5
198.12102	5.6
199.13336	4.4
202.80693	4.4
215.02234	4.7
229.05750	5.1
277.21838	8.5
279.22357	5.6
293.21234	12.8
300.99777	11.2
309.20825	6.0
397.13620	5.4
762.99683	4.7
778.89691	5.5
857.47388	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	863.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.57056	0.6
61.98835	3.5
69.03465	0.9
69.78576	1.2
69.78979	1.8
71.01385	8.9
72.99305	0.8
73.02937	1.4
74.92822	0.5
78.95930	0.6
81.03468	0.8
83.01395	1.3
83.05051	0.9
85.02968	2.0
87.00887	2.1
88.98825	0.9
89.02448	9.9
92.92807	0.7
95.01415	0.7
96.96026	1.9
97.02961	1.5
99.00892	0.5
101.02444	6.9
113.02441	4.0
119.03528	2.1
125.02499	3.1
143.03525	2.0
161.04590	2.2
179.05617	2.4
183.13911	6.8
193.12311	2.5
197.11850	0.6
211.13412	100.0
212.13739	5.0
218.85599	0.6
221.06723	1.2
235.08270	3.1
287.07703	0.9
300.99890	0.8
305.08881	1.0
323.09616	0.6
379.12433	5.3
397.13501	20.6
398.13821	1.4
415.14682	3.6
591.26660	6.6
592.26428	1.0
609.27600	9.1
610.27893	1.1
616.32928	0.7
767.66583	0.6
785.39935	1.8
803.41455	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
60.78727	0.4
61.75638	0.4
71.01373	1.5
71.56458	0.5
71.56868	0.8
73.02945	1.1
78.03490	0.7
79.01888	0.8
83.01397	0.8
85.02967	1.1
92.05058	1.8
94.06631	3.1
95.01380	1.3
96.96010	1.2
101.02452	1.6
104.05074	1.7
105.03459	2.1
106.03014	0.5
106.06633	10.5
107.01393	2.0
108.04550	1.7
111.00880	1.3
113.02445	1.0
118.29831	0.5
119.04977	0.6
120.04576	4.3
121.05341	1.3
122.02554	0.9
122.06137	14.2
123.00895	8.2
123.03284	1.9
123.06465	0.5
124.07745	0.7
125.02461	11.2
132.04570	5.4
135.04378	0.5
136.98883	0.6
138.04547	1.0
138.05621	19.5
139.00409	2.8
139.06039	0.7
140.01151	1.9
141.01974	0.6
150.05649	3.2
151.00378	6.7
153.01968	0.6
163.04010	0.7
166.05090	0.7
168.00661	1.9
169.01425	11.7
170.01709	0.6
174.12794	0.6
179.03465	0.6
184.11324	0.6
211.02457	0.9
215.11888	1.2
217.07434	1.8
228.08875	0.7
229.10008	0.8
231.09128	0.9
231.11351	1.0
236.16425	0.5
241.09776	2.5
243.11395	1.8
259.11041	0.9
271.04559	1.4
271.10919	1.4
289.11954	87.1
290.12326	6.8
300.99792	1.4
313.05585	1.0
333.10928	61.0
334.11206	5.7
467.05643	0.5
468.06680	0.7
523.21869	100.0
524.14172	0.7
524.22235	14.3
753.02222	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	14.1
61.99139	3.0
63.62725	1.8
69.34805	7.0
69.35229	9.7
69.58027	2.1
71.01395	16.6
72.89787	2.0
73.02937	2.9
78.95899	2.3
83.05033	4.8
85.02945	3.9
87.00871	4.8
89.02455	15.2
96.96011	15.3
101.02468	13.9
113.02453	6.4
116.92869	4.1
119.03535	5.5
119.05002	2.8
123.00889	2.1
125.02449	9.3
143.03543	2.6
161.04565	2.8
163.11331	2.5
169.01440	5.1
171.10258	3.3
179.05606	7.4
183.13939	5.2
209.11838	100.0
210.12209	6.0
211.13403	96.3
212.13770	6.3
221.06424	2.3
227.12912	28.5
235.08167	7.9
287.07605	2.1
300.99988	5.1
323.09769	4.3
379.12488	13.2
397.13544	62.4
398.13864	6.2
415.14450	13.4
589.24841	5.9
591.26874	13.2
607.26105	8.6
609.27728	16.4
801.39270	8.5
802.41125	2.4
855.38031	32.1
856.39063	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	855.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38351	1.0
63.06403	0.9
65.00330	1.5
69.29288	1.0
71.01385	2.7
71.57319	1.5
80.02469	0.9
83.01375	1.3
85.02940	1.6
91.29938	1.0
95.01420	2.7
96.95988	3.1
101.02451	1.8
107.01376	4.2
108.02244	1.3
109.02980	1.3
111.00850	2.5
113.02437	1.2
121.02967	3.2
123.00910	10.2
124.01672	1.8
124.34283	1.0
125.02451	12.7
136.98863	1.3
139.00359	4.0
140.01155	1.3
145.02968	1.2
151.00380	17.4
163.00340	2.9
163.04037	1.2
164.01183	1.2
168.00652	2.8
169.01442	15.5
178.99852	4.5
199.03853	1.2
201.02110	1.1
201.05612	1.3
211.04070	1.4
226.02710	1.1
227.03442	1.7
243.02983	5.9
255.03044	15.6
256.03494	1.3
271.02509	30.4
272.02872	2.2
272.64667	1.1
273.07684	1.1
281.09399	1.1
283.02551	1.2
300.02771	59.5
300.99893	9.0
301.03448	55.8
302.00461	1.6
302.03879	3.2
303.08789	1.2
313.05545	2.4
347.96829	1.2
392.69687	1.3
421.11429	79.1
422.11688	8.0
433.07767	100.0
434.08124	9.7
465.06226	1.5
479.11624	1.7
765.14612	1.3
814.59375	1.4
855.32611	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	853.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	0.3
64.39165	0.2
70.20426	0.1
71.56541	0.2
78.95913	10.3
79.95745	3.7
96.96023	100.0
96.96928	10.8
97.95956	0.3
104.86578	0.2
114.43114	0.2
125.02518	0.2
169.01389	0.2
241.34935	0.2
253.09366	0.2
277.21817	0.5
291.50000	0.2
357.22946	0.3
453.04120	0.3
466.02652	0.2
566.01392	0.2
813.98798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.07179	0.9
114.24953	0.2
196.74541	0.2
222.01154	0.2
239.15738	0.2
249.08556	0.2
496.50189	0.2
510.45020	0.2
650.21356	0.2
683.59967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	74.2
63.69276	6.6
66.18517	5.9
69.33987	48.0
71.01388	25.1
78.95917	14.1
78.98464	5.9
84.27461	5.7
86.98529	6.3
87.00908	6.4
88.98830	15.0
89.02449	18.3
96.96020	47.6
96.96952	7.2
97.02988	10.3
98.20630	9.5
101.02451	18.6
109.06628	21.1
113.02480	10.0
116.11329	5.3
117.62396	5.2
123.00939	6.1
125.02460	16.4
126.38474	5.3
149.81577	6.7
153.39026	6.1
163.11282	15.7
169.01440	17.6
179.05717	10.1
207.10260	72.2
209.11827	10.9
211.13454	88.4
225.11345	54.1
235.07999	6.8
256.43268	6.8
300.99939	18.1
397.13602	47.8
401.23560	10.5
405.25137	6.8
415.14594	14.1
419.24503	7.3
522.07190	5.6
605.24731	15.2
623.25549	10.5
624.25647	7.1
781.36713	8.1
799.37488	74.4
800.37952	19.4
817.38837	100.0
818.39600	19.1
822.60284	6.6
853.35468	36.1
853.51544	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	851.2259
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.9
59.20355	0.7
65.00284	0.8
67.01901	2.4
68.99799	0.8
69.03453	1.7
71.01395	6.9
71.57639	1.0
72.99323	1.5
73.02942	1.5
79.01888	2.0
83.01396	1.9
83.05012	0.9
85.02956	2.5
87.00962	0.8
89.02449	1.5
93.03455	0.9
95.01405	4.5
96.96023	6.6
97.02956	2.5
101.02473	4.2
107.01395	14.4
109.02962	1.3
111.00869	1.9
113.02452	2.5
113.06089	1.0
121.02956	1.4
123.00901	25.5
124.01678	1.5
125.02464	78.9
126.02753	1.6
135.11777	1.5
137.02428	2.5
139.00380	6.3
139.04076	1.1
140.01154	1.6
141.01932	2.7
145.02950	1.0
150.03265	1.2
151.00380	14.7
153.01933	2.1
153.67992	0.8
159.08112	1.3
159.11826	3.4
161.09714	9.3
163.03923	0.8
165.01892	1.8
165.05559	1.4
166.99844	2.6
167.03490	1.3
168.00641	5.5
169.01443	100.0
170.01750	3.1
175.11319	1.5
177.12798	1.3
179.03391	1.0
179.10777	9.9
180.11189	0.9
183.02991	1.7
185.09773	1.0
193.01424	2.4
193.12334	1.5
203.03406	0.9
203.10829	5.0
205.08769	1.2
211.02495	10.9
213.00038	0.9
221.11847	4.4
223.02364	0.9
223.09814	6.0
229.08766	1.5
247.09723	1.4
253.03558	2.3
265.10754	3.0
271.04724	0.8
299.98795	0.9
300.99936	7.2
302.00174	1.3
313.05600	4.0
315.88736	0.8
325.13040	1.8
331.06540	1.5
385.15076	3.1
493.17148	7.6
511.20383	0.9
519.14960	3.2
537.16180	59.8
538.16522	6.1
579.16943	5.5
609.18042	2.7
623.00476	1.0
639.19531	9.8
640.19800	2.5
681.20129	13.7
682.20862	3.2
699.21472	42.9
700.21680	7.3
851.22217	22.5
852.22601	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	845.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88668	0.1
61.98836	100.0
62.98539	0.1
69.28162	0.3
69.28575	0.6
73.42657	0.1
78.95926	0.1
88.98859	0.2
98.20646	0.2
98.23537	0.1
125.02473	0.2
129.10367	0.4
165.10391	0.1
169.01468	0.2
200.14006	0.2
207.15117	0.4
224.17766	0.1
242.18797	0.2
259.14606	0.1
295.21436	0.2
300.99994	0.3
324.03214	0.1
331.65543	0.1
337.26141	0.2
678.99908	0.1
782.51935	5.1
783.52100	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
60.39851	0.6
62.20076	0.7
69.52006	0.7
71.01381	1.0
81.03460	1.4
93.03455	1.9
95.01394	1.9
98.20692	1.4
109.02955	4.5
121.02961	1.5
123.00896	3.1
124.01674	0.9
125.02468	5.6
130.64162	0.7
133.02950	1.1
137.02457	13.5
139.04030	16.0
145.02956	1.8
147.04521	1.7
153.01907	1.0
157.02957	1.1
158.03787	0.8
159.04564	2.0
161.02531	1.3
163.04030	1.3
165.00557	0.9
165.01956	18.4
166.02307	1.0
169.01474	4.7
173.02464	2.7
175.03979	2.8
177.01962	1.6
183.03006	5.6
185.02451	2.8
187.03992	1.3
189.01961	1.3
190.02629	1.1
191.03508	2.5
201.01929	3.7
202.02859	0.6
203.03535	5.7
208.00481	0.8
209.00929	38.3
210.01280	2.6
213.01949	1.1
214.02606	0.9
217.01434	2.0
219.02928	1.6
221.04546	0.9
227.01981	1.9
229.01385	8.4
230.02000	1.4
231.02982	7.5
245.00949	5.1
247.02477	2.5
248.03256	5.2
249.04041	12.6
250.04295	0.8
257.00995	8.1
258.01645	2.4
259.02200	1.1
273.00412	3.0
274.01129	2.1
275.01996	33.2
276.02267	2.1
283.99631	2.5
291.01422	1.8
299.99170	2.9
300.99915	100.0
302.00400	8.8
327.07294	2.2
357.06601	1.0
371.06042	3.9
395.32565	0.7
404.68405	0.7
419.06335	1.8
425.10342	0.8
463.05417	2.3
494.35727	0.7
497.09207	1.0
523.08368	0.8
524.75409	0.7
633.07306	23.8
634.08246	3.3
639.66748	0.7
673.06750	1.6
799.09839	3.2
800.10315	1.5
825.08173	1.6
843.09375	7.0
844.09399	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	841.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	20.4
68.40234	16.0
68.99555	19.6
70.11371	35.2
70.11774	53.4
72.93329	15.4
79.01717	17.8
79.95718	17.9
80.96543	62.5
87.62604	16.1
128.62421	18.5
173.04118	18.8
178.60524	17.8
204.72107	16.7
277.21765	100.0
309.20703	78.2
616.49390	18.4
692.86273	19.8
841.50360	61.8
842.50745	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	841.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	4.4
66.91121	3.1
68.99560	4.9
78.95876	3.5
80.87378	2.9
80.87872	3.2
80.96513	5.0
81.67666	3.7
96.96024	20.0
99.92599	9.8
100.92612	5.7
112.98545	5.9
116.92869	100.0
117.92894	37.8
118.92692	21.6
118.93427	6.8
118.96906	5.9
118.97742	3.7
164.48138	3.7
169.56996	3.3
179.29823	3.6
229.14574	3.2
277.21680	4.5
293.21289	20.4
841.50092	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	841.488
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	41.2
68.92123	15.5
69.58517	100.0
80.96513	30.4
83.91525	16.2
94.66734	15.0
94.72339	14.8
94.98116	24.3
99.14095	13.1
100.26927	15.0
112.34846	19.0
130.11407	17.3
140.72542	16.4
176.18372	19.8
176.98213	16.0
197.11816	23.0
253.09366	24.2
277.21722	93.6
290.52286	15.9
291.19577	17.6
309.20715	54.4
422.02286	16.1
614.16229	16.7
841.50958	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.1
61.98856	0.4
68.99828	0.2
71.01404	0.2
71.57287	0.2
77.03971	0.4
78.88293	0.1
85.02970	0.2
93.03477	0.3
96.96026	0.4
119.05046	1.0
121.02970	100.0
121.63604	0.1
122.03299	3.3
125.02463	0.2
147.04530	7.1
148.04866	0.3
163.04008	0.8
165.02005	0.2
169.01495	0.2
180.04254	0.3
188.99817	0.2
191.03529	95.8
192.03860	4.9
195.06703	0.2
232.15895	0.2
256.45096	0.2
308.27463	0.2
393.79309	0.2
487.34586	0.5
819.52875	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.5
60.54678	0.2
61.98834	0.4
62.95230	0.2
67.62265	0.2
68.99568	0.7
70.90455	0.2
71.01410	0.2
71.46229	0.2
71.46574	0.3
72.01465	0.2
73.02953	4.8
78.95892	0.3
80.96529	0.4
87.00879	0.2
92.24307	0.2
96.96008	1.0
99.00900	1.4
99.92593	11.6
100.92561	0.4
112.98573	0.6
114.93449	0.5
116.92872	100.0
116.97256	6.8
117.01949	8.5
117.92889	5.0
125.76279	0.2
192.98946	0.2
209.11900	0.4
277.21744	0.4
326.46536	0.2
335.17395	0.2
383.96118	0.2
384.66180	0.2
654.21649	0.2
720.80115	0.2
724.97821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	0.4
65.24129	0.2
67.60159	0.2
67.73142	0.2
71.01382	0.2
71.56891	0.2
73.02951	5.1
75.00900	0.3
91.02140	0.2
96.96008	0.7
99.00886	1.3
99.92593	12.6
100.92604	0.5
114.93413	0.4
116.92873	100.0
116.97258	7.5
117.01947	8.1
117.05567	0.3
117.92880	4.4
209.11734	0.3
246.98068	0.2
277.21771	0.2
279.23297	0.3
335.17688	0.3
547.49304	0.2
612.13269	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38245	0.2
59.01391	1.4
69.79354	1.2
71.01375	0.3
88.45482	0.2
89.02444	0.5
91.84608	0.2
91.87187	0.3
93.14582	0.2
98.19939	0.2
117.03497	0.3
125.02456	0.5
129.03487	0.4
145.02959	1.0
147.04459	0.4
151.00352	0.3
157.02924	0.7
163.03984	0.4
169.01460	0.9
173.02457	1.1
185.02448	2.4
189.02042	0.3
201.01961	1.8
202.02242	0.5
207.10292	0.4
208.57779	0.2
213.02022	0.4
217.01379	0.3
226.99776	0.5
229.01422	3.1
230.01871	0.4
233.03758	0.3
244.00235	0.3
245.01015	1.3
257.01004	1.5
283.99686	2.6
299.99072	2.2
300.99918	100.0
302.00269	8.0
303.00452	0.4
387.16730	1.4
503.28333	0.3
539.17487	6.4
540.18103	0.9
612.26416	0.3
765.04236	0.3
786.20166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38245	0.2
59.01391	1.4
69.79354	1.2
71.01375	0.3
88.45482	0.2
89.02444	0.5
91.84608	0.2
91.87187	0.3
93.14582	0.2
98.19939	0.2
117.03497	0.3
125.02456	0.5
129.03487	0.4
145.02959	1.0
147.04459	0.4
151.00352	0.3
157.02924	0.7
163.03984	0.4
169.01460	0.9
173.02457	1.1
185.02448	2.4
189.02042	0.3
201.01961	1.8
202.02242	0.5
207.10292	0.4
208.57779	0.2
213.02022	0.4
217.01379	0.3
226.99776	0.5
229.01422	3.1
230.01871	0.4
233.03758	0.3
244.00235	0.3
245.01015	1.3
257.01004	1.5
283.99686	2.6
299.99072	2.2
300.99918	100.0
302.00269	8.0
303.00452	0.4
387.16730	1.4
503.28333	0.3
539.17487	6.4
540.18103	0.9
612.26416	0.3
765.04236	0.3
786.20166	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	20.2
59.44238	7.9
61.98829	12.2
68.99576	28.0
78.95922	11.7
96.96017	12.6
99.46564	9.0
112.46973	9.0
112.98557	30.9
116.92870	34.8
119.70645	8.9
229.21848	9.7
253.09230	12.3
277.21689	18.5
279.23270	29.3
291.19684	100.0
293.21237	75.6
305.31387	9.4
404.02814	9.7
519.79230	10.3
527.28113	10.8
765.52979	12.7
849.01068	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	839.385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	11.0
61.98842	8.2
71.01405	13.3
71.57405	5.2
72.92859	2.7
78.95918	5.3
80.96535	17.4
82.95429	6.9
89.02467	8.0
92.72626	2.6
94.98141	3.9
96.96030	14.9
101.02460	9.8
113.02507	3.0
119.03521	5.0
125.02467	6.8
125.96165	3.2
141.54514	2.5
143.03540	3.1
160.28416	3.0
183.13948	3.6
193.12210	3.4
211.13411	100.0
212.13704	8.1
250.77570	2.9
300.99841	5.6
321.69388	2.9
336.82693	3.6
379.12436	4.9
397.13586	26.6
415.14856	4.1
591.26361	14.8
609.27283	16.8
610.27991	4.3
785.40289	4.9
803.40356	4.9
839.36444	24.1
839.51990	5.9
840.38013	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	839.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77848	20.2
61.98832	40.7
69.40702	100.0
69.41119	46.4
80.96545	19.8
91.38208	17.7
116.92940	27.9
128.23090	19.5
162.75119	19.8
167.17461	18.0
341.75308	27.2
343.61475	20.5
839.45752	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	839.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	9.5
61.28057	2.8
61.98844	15.0
66.67151	2.6
69.41887	2.7
71.01389	12.0
76.62473	2.9
82.95417	7.0
84.03953	3.3
85.02969	5.0
88.54780	3.5
89.02435	4.1
96.96003	14.9
98.19932	7.3
101.02400	5.0
113.02451	3.5
125.02460	4.6
149.09671	3.0
183.13908	4.4
209.11917	7.0
211.13414	100.0
212.13838	4.6
300.99750	5.0
351.19006	3.0
379.12665	4.0
397.13489	31.4
415.14673	4.3
591.26544	17.5
609.27600	14.2
785.39520	5.4
803.40771	5.6
839.39008	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.3
61.74345	2.6
61.98831	10.6
70.36073	9.1
71.01385	6.8
74.63151	2.9
82.95441	7.2
89.02460	6.5
96.96031	18.9
99.00909	2.9
101.02455	10.3
102.17060	3.0
113.02447	3.8
119.03535	3.6
120.67023	2.8
125.02461	5.0
179.05708	6.0
209.11859	8.2
211.11490	6.1
211.13422	100.0
212.13745	5.6
235.08136	4.7
283.92429	3.2
301.00058	4.7
369.94583	3.4
379.12262	7.1
397.13510	29.8
398.13660	4.2
403.05969	3.7
415.14615	3.9
439.29837	2.8
591.26520	13.6
609.27716	14.6
610.28033	4.1
803.40692	7.2
839.38110	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2411
Annotation	Unknow
Peak:m/z	Relative Intensity
69.20244	4.5
71.80243	0.4
79.18685	0.4
96.96040	1.5
101.02439	0.4
122.06169	0.5
123.00909	0.8
125.02487	1.1
131.22667	0.6
160.01697	0.6
169.01457	1.4
172.01595	0.8
172.81158	0.4
200.01129	0.8
216.00656	1.8
242.99303	0.9
244.00110	1.7
270.98993	0.5
271.99615	0.6
289.11841	0.7
298.98029	0.5
299.99124	92.9
300.99582	9.2
301.99902	0.5
315.01477	100.0
316.01801	8.2
333.10947	1.0
436.54495	0.4
445.34891	0.4
523.21942	4.5
729.02692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.2044
Annotation	Unknow
Peak:m/z	Relative Intensity
69.24936	1.3
69.25227	0.1
91.50319	0.1
99.74281	0.1
117.03480	0.3
122.14912	0.1
123.44797	0.2
129.03476	0.4
131.55496	0.2
133.03003	0.2
145.02962	1.0
157.02954	0.7
161.02518	0.3
163.03975	0.4
169.01537	0.2
173.02438	1.2
185.02464	2.3
186.02701	0.2
189.01891	0.3
200.01076	0.2
201.01974	1.9
213.02013	0.2
216.00685	0.2
217.01399	0.4
217.96109	0.1
226.99893	0.5
228.00761	0.3
229.01433	2.8
241.85117	0.1
245.00917	1.2
254.99403	0.4
257.00937	1.4
273.00394	0.3
283.99661	2.6
285.00323	0.2
298.68216	0.1
299.99158	2.2
300.99915	100.0
302.00235	6.6
302.03720	0.4
436.60324	0.2
537.19989	1.1
537.90991	0.2
783.21533	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	836.5173
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65779	0.1
59.20073	0.1
61.98838	100.0
62.98533	0.2
66.00380	0.1
70.15398	0.3
80.96535	0.3
114.83771	0.1
277.21729	0.2
296.65759	0.1
311.64508	0.1
628.95197	0.1
837.48169	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36001	4.9
63.59051	5.3
71.57238	7.6
91.13331	5.4
95.01398	16.6
107.01404	17.2
116.50102	5.4
123.00887	30.9
125.02463	43.9
145.03047	7.2
147.04472	7.9
161.02477	18.1
163.00473	7.3
163.04117	7.5
166.99899	11.4
169.01431	46.0
173.02458	17.2
175.03989	8.8
189.01903	12.2
191.03519	12.1
193.01422	8.8
200.01006	6.7
201.02000	16.2
211.02589	7.8
217.01430	28.6
219.02982	6.1
226.99910	7.0
229.01503	27.5
242.99327	7.4
245.00949	34.9
247.02452	16.8
257.00827	7.7
270.98648	7.9
273.00400	74.4
274.00854	6.1
275.01901	13.5
299.99185	16.6
300.99844	100.0
302.00153	10.8
311.85355	6.4
316.99295	10.8
445.04080	7.7
541.04944	6.2
595.03839	9.2
597.05438	41.1
613.04480	7.7
615.06195	39.7
617.44489	7.5
765.05890	40.1
766.07343	9.8
783.06879	40.7
784.07886	11.6
837.21588	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	835.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	0.2
59.01382	8.6
61.98835	0.5
69.03471	0.3
71.01387	7.8
71.05006	0.3
71.56895	0.3
72.99312	0.6
73.02958	1.2
75.00896	0.3
80.02680	1.5
81.03458	1.6
83.01393	1.0
83.05032	5.9
84.02168	0.9
85.02953	1.9
87.00867	2.1
88.98805	0.2
89.02455	7.9
89.03009	0.4
93.03474	0.3
95.01398	0.8
95.05041	0.9
96.96023	2.2
97.02956	1.1
97.06612	0.3
99.00896	0.5
101.02448	6.0
109.02937	0.3
109.06607	0.3
111.00900	0.4
111.04488	0.4
113.02462	3.4
119.03500	1.8
119.04981	0.2
123.00880	0.4
124.01661	0.3
125.02451	3.4
125.06071	0.3
125.09668	0.3
131.03520	0.2
135.08180	0.6
136.29010	0.2
137.02518	0.2
143.03548	1.1
147.11765	0.2
151.03990	0.3
161.04584	1.2
163.04068	0.4
163.11288	3.8
163.23233	0.2
165.12862	1.9
166.99713	0.2
169.01433	0.4
171.10313	0.6
175.02444	0.4
179.04237	0.3
179.05594	2.1
181.12363	0.7
191.10861	1.1
191.89372	0.2
197.18636	0.2
199.13409	0.4
209.11835	100.0
210.12172	6.2
217.07361	0.3
221.06680	0.8
223.13379	0.3
227.12895	14.2
228.13176	0.5
235.08269	2.5
247.13423	0.7
251.12906	0.4
253.09236	0.3
264.23468	0.2
265.14362	0.4
276.07962	0.2
287.07751	0.9
300.99808	0.7
305.08844	0.9
323.09802	0.8
348.25455	0.3
379.12418	1.9
379.19144	0.2
397.13510	18.8
398.13968	1.8
415.14600	5.6
415.19843	0.4
416.14804	0.3
473.37854	0.2
526.96344	0.3
583.77557	0.2
607.26831	1.2
607.35376	0.2
612.61121	0.2
686.55176	0.3
777.42902	0.3
779.40710	0.2
799.37170	0.6
817.38708	0.3
832.85986	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.398
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.6
59.01387	10.0
68.99841	0.2
69.03451	0.7
69.89423	0.6
69.89821	0.4
71.01389	8.9
72.99304	0.7
73.02950	1.3
75.00851	0.3
80.02693	1.7
81.03474	2.3
83.01401	1.0
83.05035	6.0
84.02171	1.2
85.02950	2.0
87.00880	2.1
89.02454	8.2
93.03471	0.4
95.01385	1.0
95.05025	0.7
96.96013	0.9
97.02959	1.3
97.06602	0.3
98.20552	0.3
99.00895	0.8
101.02458	6.3
109.02982	0.4
109.06625	0.3
111.00898	0.3
111.04515	0.4
113.02467	3.7
115.00423	0.3
119.03522	2.2
123.08240	0.2
125.02451	3.2
125.06101	0.7
127.03983	0.3
131.03493	0.3
135.08179	0.7
139.03996	0.3
143.03505	1.1
149.04517	0.3
149.09714	0.3
161.04561	1.8
163.11290	4.7
164.11624	0.3
165.05513	0.2
165.12883	2.8
166.62489	0.2
167.03589	0.3
169.01398	0.3
171.10240	1.0
175.02492	0.3
179.05620	1.7
181.05045	0.3
181.12350	0.4
185.04648	0.2
190.28111	0.2
191.10776	1.0
191.26463	0.2
192.73549	0.2
199.06102	0.4
199.13504	0.3
209.11845	100.0
210.12193	5.8
211.13535	0.2
221.06606	0.9
221.11931	0.3
221.50420	0.2
227.12912	15.1
228.13289	0.9
235.08218	2.1
247.13440	0.6
253.09230	0.4
259.08209	0.3
287.07840	1.0
301.00064	0.3
305.08862	0.9
323.09863	0.4
340.66116	0.2
379.12384	2.1
397.13547	18.3
398.13818	1.5
415.14624	5.9
416.14813	0.3
437.25577	0.3
558.77875	0.3
589.25195	0.4
607.26471	1.3
608.26544	0.3
625.27655	0.3
700.38190	0.2
773.36871	0.3
799.38263	0.7
817.38428	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.8
60.31499	0.6
67.01904	1.2
68.99827	0.8
71.01401	4.8
71.02426	1.6
73.02956	1.5
83.01407	1.8
85.02956	2.3
95.01381	2.1
98.20527	0.8
99.00867	1.4
100.71504	0.7
101.02441	3.0
107.01385	2.8
111.00898	2.4
113.02459	1.7
123.00902	14.9
124.01771	1.2
125.01547	0.9
125.02458	15.6
126.02811	0.8
127.00356	1.3
136.98811	1.8
139.00392	6.5
140.01167	4.3
141.01958	2.4
149.60599	0.6
151.00375	13.9
151.04106	0.9
152.00726	0.8
168.00664	4.3
169.01437	23.4
235.87599	0.6
247.02258	1.0
300.02618	1.2
301.00021	5.3
302.00369	1.0
313.05679	1.9
413.14539	80.8
414.14957	7.1
421.11423	100.0
422.11758	10.4
433.07819	2.3
497.62973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.0
61.98841	36.2
68.70256	1.3
69.03522	1.4
69.59967	10.0
75.14506	1.8
78.95901	11.0
79.95760	2.2
80.96519	4.6
82.06644	1.6
85.82102	1.3
87.05650	5.7
92.92773	2.2
96.96012	8.6
96.96972	2.9
115.04014	1.5
121.04147	1.5
125.02502	1.7
129.10364	14.3
139.08820	3.3
140.07167	2.1
146.06117	3.2
152.99585	2.3
155.08315	2.4
155.11905	1.5
164.09607	3.4
165.10336	2.4
169.01451	1.7
182.12988	1.9
183.11453	1.8
188.04836	1.5
195.14943	2.0
197.16611	2.8
200.14091	4.7
207.15024	12.1
209.11874	3.7
224.17700	4.2
225.15968	3.3
228.07742	1.6
241.01122	2.6
242.18770	11.1
255.23349	3.5
256.23499	2.0
258.11420	6.1
268.17056	1.4
268.20224	1.5
273.00345	1.5
275.14029	3.5
279.23361	2.6
293.21268	4.6
295.21457	8.0
300.99957	4.9
313.22568	5.6
324.23779	1.3
337.26154	4.6
355.27109	1.7
485.32944	1.7
539.39008	1.9
742.43774	3.9
760.44360	1.6
762.09406	1.6
798.51465	100.0
799.37366	1.8
799.51868	24.5
834.52148	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	833.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	16.7
60.38021	0.3
61.98824	1.4
64.12011	0.3
70.77771	0.7
70.78114	0.5
71.01394	1.2
77.34758	0.4
83.05033	0.4
84.69584	0.3
85.02950	0.7
89.02447	0.8
92.91085	0.4
93.70018	0.3
94.44747	0.3
101.02453	1.1
102.78631	0.3
109.71276	0.3
112.27679	0.3
113.02459	0.8
127.07677	0.4
133.54146	0.3
145.05093	0.4
161.04584	0.5
235.08220	1.4
241.70343	0.4
253.09311	3.8
275.20203	0.4
277.21738	100.0
278.22073	8.7
297.52142	0.4
407.01208	0.3
489.75116	0.4
513.30640	0.5
691.62036	0.4
833.51709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02373	0.5
65.00318	0.5
76.66718	0.4
76.96902	0.4
83.04912	0.4
93.05978	0.4
107.01408	1.3
109.26318	0.3
116.46429	0.4
127.30293	0.4
133.02956	4.8
136.33864	0.4
141.40271	0.5
143.70929	0.4
149.02426	1.1
151.00369	4.9
175.03990	2.6
199.03990	2.3
201.02013	0.6
217.05043	0.9
223.09842	0.6
241.05019	1.1
256.03802	1.6
284.03259	3.8
285.04071	100.0
286.04401	8.1
447.09360	57.2
448.09805	6.2
629.64624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	833.2517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.6
83.01377	0.5
91.58948	0.4
98.19875	1.1
101.25810	0.3
107.01379	1.0
127.87124	0.4
132.97490	0.4
133.02956	5.8
149.02377	0.8
151.00363	4.1
157.13170	0.4
171.04515	0.4
175.04054	2.3
179.10782	0.5
189.41249	0.3
199.03989	1.9
201.01874	0.6
213.05600	0.6
217.05083	1.2
223.09781	0.5
241.05101	1.4
243.03064	0.5
256.03830	1.9
257.04565	0.5
275.01672	0.4
284.03317	2.3
285.04062	100.0
286.04376	7.8
389.19586	0.4
423.39981	0.4
447.09357	58.2
448.09744	7.1
585.43933	0.4
629.90015	0.4
645.47693	0.4
718.23987	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.4
62.33222	0.3
65.00335	0.4
71.01398	0.5
80.72781	0.3
83.01428	0.5
85.02978	0.5
90.87224	0.3
93.03417	0.5
93.30367	0.3
95.01432	0.8
99.00864	0.4
101.02451	0.4
102.71136	0.3
109.02972	1.4
113.02422	0.4
117.03429	0.6
119.05014	0.4
121.02966	0.7
123.00900	0.7
124.01679	0.4
125.02393	0.8
129.03452	0.7
133.02959	0.8
135.04541	0.5
137.02441	5.2
139.00343	0.4
139.04025	0.4
145.02986	2.4
147.00926	0.9
147.04500	0.9
149.02414	0.6
151.00385	0.3
151.04039	0.4
153.01970	0.4
157.02985	0.8
158.03723	0.4
159.00882	0.3
159.04457	0.7
161.02438	1.2
163.00381	3.8
163.03999	1.3
164.01105	0.6
165.01959	7.4
169.01366	0.5
173.02446	2.9
174.03131	0.5
175.00427	0.9
175.03969	1.9
177.01915	2.3
179.03424	0.5
185.02469	2.7
187.00229	0.3
188.01042	0.3
189.01921	2.0
190.02751	0.7
190.99861	1.2
191.03522	2.5
200.01114	0.5
201.01967	3.3
202.02611	0.3
202.99794	1.0
203.03477	3.4
205.01419	0.8
206.99181	0.4
208.00171	2.2
209.00925	12.0
213.01927	0.8
214.99927	0.4
217.01402	2.0
219.02985	1.3
221.00960	0.6
226.99901	0.6
228.00638	0.6
229.01421	6.6
230.01912	0.6
231.03000	2.1
231.99811	0.3
233.00929	1.0
235.02487	0.5
240.00723	0.4
241.03546	1.2
242.99167	0.4
244.00140	0.6
245.00902	5.0
246.98817	0.8
247.02484	1.8
248.03177	0.4
249.04018	2.9
251.01912	1.6
256.00037	0.3
257.00925	5.2
258.01654	1.8
259.99503	0.3
261.00388	1.6
270.98865	0.6
273.00424	4.6
274.01166	1.4
275.01993	24.0
276.02304	1.8
283.99667	2.1
286.98361	0.7
289.00003	0.6
291.01514	0.8
298.98398	1.4
299.99167	3.7
300.99911	100.0
302.00238	7.2
305.03131	0.4
311.04105	2.8
316.99374	0.6
317.03653	0.4
319.00891	1.1
332.99146	0.6
337.05896	0.5
343.06610	0.5
353.05167	1.3
371.06308	0.5
385.07681	0.6
393.04764	0.6
409.04050	1.8
435.05630	0.7
453.06839	5.5
479.04633	1.0
485.09409	1.1
497.05774	3.0
519.08044	0.5
529.08459	0.5
629.08258	0.4
711.08295	0.7
755.07513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	8.9
61.98817	1.9
65.80910	1.1
71.01402	2.8
71.14115	1.8
71.63801	1.1
72.99325	1.3
73.43181	0.9
74.94444	1.0
80.88113	1.1
83.01403	2.8
84.02180	1.2
88.98794	2.4
89.02448	3.3
96.96033	1.2
101.02442	3.2
105.01956	2.0
113.02454	1.5
125.09727	2.8
133.28874	0.9
135.94666	0.9
158.14143	1.0
161.04599	2.0
163.11266	1.1
171.10248	3.3
179.05675	1.4
191.10857	1.5
209.11826	3.3
226.12071	1.0
235.08351	1.3
241.14479	1.6
243.16052	1.0
253.09358	10.4
273.17102	100.0
274.17532	7.5
277.21750	63.2
278.22137	7.4
282.72202	1.1
283.93408	0.9
509.26068	2.6
533.31464	1.0
533.38153	4.9
534.38495	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	8.2
61.98840	5.6
61.99104	1.2
64.87441	1.0
71.01376	3.1
72.99306	1.3
73.02959	1.0
75.00881	1.3
78.95906	0.9
83.01404	2.0
85.02990	0.9
87.00899	1.1
88.98834	1.8
89.02446	1.9
96.96005	3.6
101.02434	2.4
103.35591	0.7
105.01949	3.4
113.02458	2.1
125.09740	2.5
127.89895	0.8
145.05064	1.0
151.26993	1.0
160.99773	0.8
161.04588	1.4
169.12263	1.1
171.10239	2.1
179.05586	1.0
191.10760	1.7
197.68524	0.8
209.11797	2.2
217.36682	0.8
218.00394	0.8
229.59953	1.4
235.08238	9.0
243.16080	0.8
253.09360	9.7
273.17102	61.8
274.17377	5.5
277.21744	100.0
278.22137	7.9
350.60413	0.8
490.83160	0.9
513.30017	1.0
533.38171	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	827.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.9
63.61189	0.4
67.01891	0.9
68.99826	0.5
69.03466	0.9
69.60866	1.6
69.61281	0.7
71.01394	3.1
73.02954	0.5
79.01912	0.6
83.01408	0.7
85.02968	0.9
86.37416	0.4
89.02461	0.7
95.01427	0.9
96.96017	0.5
97.02972	1.2
98.20963	0.3
99.61969	0.4
101.02450	1.2
107.01411	6.9
111.00933	1.0
113.02477	1.2
120.79086	0.4
120.99709	1.3
123.00898	4.0
124.01712	0.5
124.46431	0.4
125.02460	45.3
126.02795	1.3
139.00404	1.5
139.04051	0.5
140.01147	1.0
141.01953	1.1
151.00391	4.4
153.01933	0.5
163.11255	0.9
168.00720	2.2
169.01443	70.2
170.01802	2.8
211.02541	1.0
223.02376	0.5
241.03543	4.4
253.03534	0.8
301.00104	0.4
309.90689	0.5
313.05682	16.5
314.06064	1.7
343.17725	1.2
361.09662	0.6
387.16678	4.1
388.16916	0.4
439.08838	100.0
440.09192	11.0
441.09100	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07539	28.4
70.29169	40.6
70.29517	100.0
78.77418	28.6
78.95924	46.0
80.96540	39.5
81.52064	33.2
144.93707	31.1
173.44839	28.3
217.95087	29.1
277.21661	84.3
293.21051	86.7
378.80701	30.9
825.47058	78.3
856.81616	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	825.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.1
61.98833	11.4
67.01906	3.3
69.76833	11.4
71.01378	9.4
73.02946	5.3
79.01901	3.4
83.01373	2.6
85.02972	4.2
87.00901	3.9
88.98827	2.2
89.02499	2.5
95.01382	5.4
96.96019	17.0
97.06509	1.9
99.00898	1.8
101.02457	6.1
107.01402	19.7
111.00864	2.4
113.02480	4.5
115.00402	2.9
115.25082	1.8
116.92789	1.8
119.03569	2.5
119.06224	2.1
121.02955	2.7
122.03757	3.1
123.00900	22.2
123.04526	2.2
125.02458	61.0
135.11891	2.9
137.02448	3.4
138.01892	2.9
139.00401	7.8
141.01929	4.4
145.02994	4.6
146.53902	2.1
150.03207	5.6
151.00406	11.4
159.11893	2.3
161.09712	8.1
163.03987	3.1
165.05559	6.0
167.03442	2.5
169.01442	100.0
169.67836	2.1
170.01761	2.8
175.02475	5.8
179.10762	7.5
195.06570	3.6
209.11890	1.9
211.02483	8.1
229.01341	2.0
229.08777	3.1
300.99863	5.4
310.55768	1.9
313.05490	2.5
399.83838	2.4
410.88889	2.2
511.25446	4.4
519.14935	6.4
825.16632	2.9
825.31836	59.1
826.32098	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	825.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.8
61.98853	2.9
63.03309	0.6
63.34166	0.7
67.01909	1.7
69.03473	1.2
71.01388	7.0
73.02959	1.5
74.77676	0.6
79.01907	3.0
81.03513	0.7
83.01432	1.1
85.02964	3.6
87.00893	1.6
95.01411	2.9
96.96008	8.5
96.96956	1.2
97.02977	1.9
99.00893	1.2
101.02432	4.4
105.07083	0.6
107.00720	1.1
107.01413	15.8
109.02962	1.8
111.00895	1.4
113.02464	2.8
115.00391	1.8
121.06647	0.8
122.03788	1.5
123.00911	16.0
123.04528	1.1
124.01673	1.7
125.02464	62.8
126.02806	2.4
135.08121	0.7
135.11819	0.7
136.98856	0.6
137.02460	1.1
139.00380	4.0
140.01186	1.2
141.01909	1.8
143.03548	0.7
143.08699	0.7
144.23138	0.7
149.02484	0.8
149.05948	0.7
150.03255	1.4
151.00386	7.6
151.04044	0.7
153.01968	2.5
153.56891	0.6
159.08122	0.9
160.04091	0.8
161.04510	1.8
161.09738	5.8
162.10132	1.0
165.01917	1.2
165.05562	1.4
166.99821	0.7
167.03514	0.8
168.00630	3.5
168.90274	0.7
169.01445	100.0
170.01833	3.7
175.02573	3.9
179.10794	1.8
187.07645	1.3
190.06625	0.7
193.01590	0.8
195.06670	1.0
199.34946	0.6
203.10840	0.8
205.08725	1.3
209.11780	1.0
211.02448	5.6
253.03642	0.7
262.65674	0.6
266.23715	0.6
300.99985	3.1
305.16104	1.1
313.05719	2.0
331.06570	1.2
343.21054	0.7
406.74643	0.6
493.24481	1.1
511.25418	2.4
519.15222	9.9
520.15466	1.3
525.28125	0.7
534.90265	0.8
553.27075	0.8
613.25586	0.9
629.22705	1.2
791.40637	0.7
825.31958	42.5
826.32043	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	825.319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	1.8
61.98843	5.1
68.07153	0.7
68.99560	0.8
71.01363	1.1
87.00883	0.9
87.61735	0.7
88.98805	1.6
96.96013	5.1
105.01957	0.9
116.92831	1.3
119.05069	0.9
125.02486	3.6
129.58913	0.7
138.01974	2.0
169.01404	2.8
209.11754	1.4
229.56987	1.2
254.99301	0.8
257.00980	1.3
269.98123	10.7
285.00510	8.2
297.97556	33.7
298.97879	2.4
300.35760	0.9
300.99933	1.7
312.99933	53.3
314.00201	4.5
328.02258	56.2
329.02637	4.9
343.04614	100.0
344.04956	8.7
825.42706	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
69.30485	2.6
96.91200	0.3
96.96004	0.6
103.27709	0.3
117.03561	0.3
145.02982	1.5
157.02974	1.1
163.04060	0.4
169.01424	0.3
173.02412	1.1
185.02458	2.0
189.01869	0.6
201.00305	0.3
201.01920	1.7
213.01920	0.4
217.01431	0.6
226.99962	0.3
229.01439	3.1
245.01016	1.5
257.00925	1.3
273.00360	0.4
283.99673	2.9
285.00339	0.3
299.99078	2.4
300.99918	100.0
302.00253	7.8
523.22455	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	825.08
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01358	0.8
71.21310	0.6
71.56403	0.9
78.26369	0.7
87.00861	1.1
92.34628	0.7
95.01385	1.8
96.96015	0.8
105.98877	0.7
107.01392	0.7
109.02959	3.7
111.00838	0.6
119.05066	0.8
121.02957	1.3
123.00895	3.9
125.02453	6.5
135.04507	0.7
137.02463	8.9
138.02829	0.6
145.02979	2.8
147.04514	1.5
149.02489	0.9
157.02960	1.0
159.04552	0.8
160.04024	0.7
161.02394	1.0
163.00401	4.9
163.04034	1.8
164.00966	0.9
164.04749	1.1
165.01956	10.7
169.01462	4.4
173.02423	2.1
175.04010	2.7
177.01968	1.3
178.00766	0.7
185.02454	3.2
187.03929	1.2
189.01924	0.8
190.99928	1.6
191.03514	1.5
201.01976	4.0
203.03525	5.0
209.00917	11.3
213.02031	0.9
217.01414	0.7
219.03012	1.0
229.01430	6.6
230.02063	1.1
231.02954	5.9
245.00787	3.7
247.02533	2.4
248.03297	3.6
249.03999	10.1
257.00928	5.5
258.01614	2.6
273.00433	3.2
274.00998	0.8
275.01996	22.5
276.02316	1.9
276.11096	0.7
283.10846	1.0
283.99557	2.4
291.01572	1.6
299.99155	3.3
300.99921	100.0
302.00278	6.8
326.64548	0.8
327.09915	1.4
403.11383	4.4
419.05917	1.1
421.11285	1.5
476.38086	0.9
523.07550	1.6
527.34949	0.7
615.06366	1.4
655.05896	1.4
825.07941	21.2
826.08014	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	823.5224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.5
61.98818	1.5
69.03456	2.1
71.01392	8.7
71.13955	1.5
72.99278	0.7
73.02937	2.1
76.42712	0.7
77.57391	0.6
78.95908	3.3
79.95742	1.4
80.96511	0.8
82.95430	1.0
83.01392	1.6
83.05043	1.0
84.20831	0.7
85.02950	7.1
87.00861	1.7
89.02459	4.8
91.04027	0.8
94.98059	0.7
95.01382	1.2
95.04995	1.1
96.96021	30.6
96.96928	3.1
97.02975	1.3
97.06582	2.2
99.00773	0.7
101.02460	7.9
113.02445	4.0
119.03491	1.9
125.09737	1.4
127.11304	1.5
133.05086	1.5
137.09702	1.4
143.03491	1.1
155.10768	1.4
157.05069	0.8
161.04556	3.9
165.12833	1.0
167.14505	0.7
171.10283	17.8
177.12927	0.8
179.05620	1.8
183.13889	3.1
185.11772	1.2
193.12363	1.0
197.11726	0.8
209.11850	1.8
211.13393	13.0
221.11844	1.9
227.13010	0.6
229.14456	10.3
235.08232	15.6
236.08478	1.3
239.12830	1.2
253.09312	31.3
277.21738	100.0
278.22089	9.3
291.19699	6.2
295.22937	1.0
309.20715	15.3
310.21164	1.8
327.21783	83.9
328.22119	7.0
415.27814	0.8
474.10495	0.7
513.30365	0.7
545.29834	2.7
563.30646	3.6
564.30176	0.8
587.43256	2.5
598.34058	0.7
823.46051	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	100.0
62.80729	16.6
70.37537	16.1
72.24709	15.9
80.81526	16.4
80.96526	71.3
85.27708	15.6
91.81445	20.8
148.33176	17.7
164.98680	25.8
225.00557	22.1
229.59572	19.9
248.89874	18.1
277.21799	77.7
288.04504	17.9
291.19586	99.3
301.48636	19.3
384.13406	19.1
559.46448	18.9
685.39185	21.7
751.94257	18.5
823.44958	94.5
824.45490	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	823.4264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	5.7
61.98848	15.7
71.01391	6.7
71.13916	7.1
83.05036	3.8
89.02457	3.9
96.40020	3.1
96.96037	17.4
98.95604	4.4
101.02431	3.2
116.92884	12.1
121.02984	5.2
125.02444	6.5
165.02016	5.1
169.01421	8.5
171.10262	7.3
193.12428	4.4
207.10275	5.6
209.11836	100.0
210.12253	4.4
211.13492	6.9
225.11342	4.7
225.14909	5.3
227.12906	25.7
235.08144	10.2
253.09274	18.1
300.99951	10.6
302.00070	4.0
341.23364	82.6
342.23636	8.0
445.20605	8.3
519.50360	4.3
577.32190	12.1
769.43677	4.6
823.42773	40.5
824.42316	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4261
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.2
61.98844	33.4
71.01388	9.9
71.57072	9.3
72.28899	5.0
72.73172	5.5
78.33176	6.0
88.98837	8.5
96.96019	21.1
111.04479	5.4
116.92868	12.0
121.02995	14.2
125.02472	14.1
169.01437	19.8
171.10297	8.2
201.30428	5.7
209.11839	100.0
210.12227	10.5
211.13574	6.7
216.57426	6.0
225.14883	7.5
227.12930	24.4
235.08282	9.2
239.12894	7.2
243.16144	7.1
247.57147	5.9
253.09224	16.4
275.63513	8.4
300.99905	22.7
321.22681	6.8
324.57062	7.3
341.23285	80.0
577.32037	13.4
738.48059	7.0
823.42859	41.8
824.43445	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	823.426
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.7
61.98835	66.5
65.88155	10.0
68.64376	10.1
69.48443	82.1
70.01955	11.7
78.95940	9.7
96.96014	42.6
97.50360	9.3
116.92881	32.1
119.64590	9.6
120.15515	9.4
123.30696	10.6
125.02451	11.9
128.01018	10.8
140.67413	9.9
153.18620	12.8
169.01485	14.6
197.11884	23.3
209.11824	100.0
211.13441	16.4
227.12987	27.2
253.09357	20.9
300.99997	12.8
309.20862	42.9
785.39734	12.5
823.41797	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	823.21
Annotation	Unknow
Peak:m/z	Relative Intensity
59.13891	0.2
69.45354	0.5
69.45759	1.0
78.43641	0.2
96.95992	0.3
97.65791	0.2
109.39216	0.2
115.27920	0.2
117.03467	0.3
125.02407	0.3
129.03473	0.3
145.02974	1.0
147.04552	0.4
157.02965	0.8
163.04019	0.4
173.02481	1.2
174.71535	0.2
185.02466	2.1
189.01993	0.4
194.52327	0.3
201.01936	1.8
210.14317	0.2
211.02629	0.3
213.01845	0.3
217.01408	0.6
226.99850	0.6
228.00742	0.2
229.01392	3.5
230.01620	0.2
244.00145	0.4
245.00908	1.3
257.00983	1.4
271.04541	0.5
283.99619	3.0
299.99103	2.8
300.99915	100.0
302.00269	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	821.506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85490	0.7
59.01379	5.4
59.64308	0.9
59.76562	0.8
61.98836	24.3
69.03437	0.7
71.01392	6.2
71.07009	0.7
71.56390	1.1
78.95907	4.7
79.95750	3.1
80.91699	2.8
80.96540	4.0
83.01392	1.1
85.02959	1.4
87.00912	1.2
89.02460	2.7
96.96022	23.8
96.96994	3.7
97.30006	0.9
99.00874	0.9
101.02464	4.9
111.08197	6.7
113.02464	2.2
119.03545	1.7
148.19295	0.7
151.11253	1.1
161.04552	3.0
167.10690	0.9
169.12386	2.3
171.10258	1.2
195.13962	6.2
196.14378	1.2
197.11852	37.1
198.12202	2.4
199.13423	2.0
205.15869	0.9
209.11909	2.2
211.13419	5.6
223.13420	5.6
235.08229	2.9
241.14520	1.0
244.57704	0.8
253.06645	1.9
253.09300	29.8
254.09616	1.4
256.13144	1.2
263.20169	3.3
275.20044	4.4
277.21844	2.0
279.23309	6.9
280.23666	3.8
291.19699	13.2
292.20090	1.0
293.21252	100.0
294.21558	10.8
309.20737	53.1
310.21078	4.9
529.30139	1.4
545.29761	1.3
578.16278	1.0
585.41675	2.7
729.45844	3.0
821.40765	5.7
822.40491	1.2
831.57672	1.0
832.37927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	10.4
59.88686	4.1
61.98838	100.0
62.36564	4.0
70.41791	3.5
71.01411	3.9
71.57226	4.6
78.10390	5.0
79.69189	4.2
79.95750	6.3
83.05022	5.7
86.20913	4.3
87.00881	8.8
96.95979	5.5
101.02479	5.1
101.06031	6.4
137.93568	4.2
142.05093	3.6
143.99162	6.9
144.86987	12.0
145.01508	9.5
145.05081	16.6
159.55922	4.4
182.96243	4.6
184.62993	3.7
209.11856	28.4
227.12854	5.8
289.18109	6.1
307.19183	8.2
319.78354	4.6
332.82755	4.4
821.40631	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	821.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.1
60.32766	0.1
61.09127	0.1
61.98846	0.3
69.42853	0.8
71.01351	0.1
78.95911	8.1
79.34677	0.1
79.95746	3.7
80.96522	0.4
83.05025	0.2
87.18114	0.1
94.92519	0.2
94.95992	0.1
94.98117	0.2
96.96022	100.0
96.96923	8.9
97.95959	0.3
125.09803	0.1
170.71712	0.1
197.11809	0.2
209.11826	0.7
223.13269	0.1
227.12811	0.1
241.14484	0.4
253.09435	0.2
277.21783	0.4
279.23248	0.5
280.23642	0.2
291.19662	0.2
292.20026	0.2
293.21234	0.2
309.20618	0.2
729.45801	0.3
747.46509	0.2
821.41504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	0.3
70.12128	0.3
71.01358	0.1
72.65855	0.1
74.51364	0.1
78.95911	7.4
79.95747	3.8
80.91656	0.1
80.96531	0.3
82.96108	0.1
88.27576	0.1
89.02499	0.1
94.92523	0.2
94.98124	0.1
95.97632	0.1
96.96024	100.0
96.96918	8.5
97.95956	0.3
98.19922	0.1
101.02433	0.2
102.27601	0.1
124.36897	0.1
195.14001	0.1
197.11821	0.3
209.11800	0.4
223.13580	0.1
253.09366	0.4
265.07629	0.1
277.21725	0.2
279.23267	0.3
280.23691	0.1
291.19931	0.2
293.21216	1.3
309.20847	0.6
381.22159	0.1
420.40054	0.1
450.35742	0.1
463.89658	0.1
729.45764	0.1
821.41913	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4339
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
64.07314	0.2
71.01414	0.2
71.14008	0.3
78.91917	0.4
78.95921	0.5
79.95760	0.3
80.96526	0.8
82.95431	0.2
94.98108	0.2
96.96027	0.3
96.96978	0.4
141.27669	0.2
161.54149	0.2
202.82367	0.2
277.21600	0.3
388.14697	0.2
658.15308	0.2
820.53320	0.2
821.40948	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
65.06364	0.2
71.01379	0.5
75.78236	0.2
78.91898	0.4
78.95907	0.8
79.95770	0.4
80.91689	0.3
80.96539	1.1
82.95441	0.9
94.98106	0.4
96.96033	0.8
103.22123	0.2
139.29346	0.2
151.06177	0.2
180.85660	0.3
242.69119	0.2
277.21964	0.4
285.85541	0.3
351.05069	0.3
408.30936	0.3
476.54169	0.3
820.53503	0.5
821.40222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.1949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.2
59.66273	0.3
62.70143	0.3
71.01383	0.8
71.57463	0.5
81.46442	0.3
85.57824	0.3
87.00877	2.1
96.96014	0.7
99.00898	0.3
111.92108	0.3
115.00408	2.2
119.05025	0.7
120.99612	0.3
123.00944	0.4
125.02419	1.8
127.33971	0.3
129.03471	0.3
135.93285	0.3
136.07674	0.4
137.02525	0.3
145.02992	1.0
153.62926	0.3
163.04027	1.0
164.67760	0.3
169.01440	1.8
173.02448	1.2
174.01752	0.6
175.02513	4.0
185.02473	2.1
201.01993	1.6
227.00031	0.6
229.01465	3.2
245.00967	1.2
254.99255	0.4
257.00958	1.4
257.13092	0.4
283.99652	1.7
299.99191	2.7
300.11304	0.4
300.99915	100.0
302.00232	7.2
313.05786	0.3
343.13095	0.3
392.87466	0.3
403.08344	0.6
453.03973	1.4
453.53918	0.8
454.04779	0.4
459.19058	0.4
475.03436	0.9
475.53268	0.4
519.18805	0.4
614.19489	0.4
645.24976	0.4
647.27203	0.6
659.17230	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.7
58.00589	1.1
59.01385	19.7
61.98833	1.0
69.03448	1.2
70.29716	0.6
70.30075	1.2
71.01389	15.0
71.05023	0.4
72.99310	1.2
73.02949	2.8
80.02670	1.0
80.96508	0.4
81.03477	2.0
82.95406	0.5
83.01379	2.2
83.05033	5.9
84.02174	1.1
85.02961	4.7
87.00882	3.5
89.02453	15.0
90.02811	0.5
95.01401	1.4
95.05032	0.7
96.96024	3.1
97.02978	2.6
101.02448	12.0
109.02944	0.6
109.06553	0.4
111.04499	0.6
111.48331	0.4
113.02454	7.0
119.03503	3.8
119.04988	1.9
125.02469	6.9
125.06011	0.4
131.03484	0.7
135.08098	0.4
143.03532	2.4
147.11847	0.4
149.04573	0.6
161.04585	2.7
163.04001	0.7
163.11307	4.9
163.58940	0.4
165.12845	2.5
167.14484	0.9
169.01462	0.5
171.10298	1.2
179.05612	4.0
181.12289	0.6
183.13921	6.2
184.14320	0.5
191.10779	1.2
193.12308	1.6
199.06058	1.1
199.13324	0.5
201.47963	0.4
209.11842	100.0
210.12187	6.3
211.13405	84.7
212.13741	5.0
217.07184	0.8
221.06726	0.8
227.12904	16.3
227.15169	1.0
228.13152	0.5
235.08273	5.1
247.29231	0.4
249.14923	0.6
253.09337	0.7
263.07733	0.5
287.07706	1.7
305.08774	1.7
323.09845	0.9
379.12491	5.2
380.12860	0.5
394.20172	0.5
397.13516	36.1
398.14008	2.8
415.14658	9.5
415.19873	0.9
416.14996	0.6
436.09933	0.5
503.90277	0.5
589.24872	0.8
591.26459	2.0
592.26440	0.6
607.26318	1.3
608.27338	0.4
609.27881	3.7
610.28442	0.6
672.31561	0.5
783.38776	0.9
801.39294	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90619	0.2
61.46523	0.2
61.98843	1.8
69.34207	0.3
69.34616	1.4
71.12875	0.2
73.31728	0.2
78.95914	10.5
79.95746	3.4
80.96516	0.5
87.87560	0.2
94.98090	0.4
95.38043	0.2
96.96024	100.0
96.96935	12.4
97.95978	0.5
98.20643	0.4
143.58504	0.2
164.98680	0.2
204.40398	0.2
216.56000	0.2
231.03195	0.2
277.21747	0.6
305.17551	0.3
308.80627	0.2
819.41364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.3861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	1.9
71.01392	0.6
71.56873	0.2
78.95914	10.3
78.98586	0.3
79.95744	4.4
80.96529	4.4
90.79811	0.2
94.92530	0.2
94.98094	1.2
96.96023	100.0
96.96933	11.9
97.95950	0.3
98.02819	0.2
109.06650	0.2
125.02461	0.3
134.97624	0.2
148.99153	0.4
152.98656	0.4
161.37607	0.2
164.98633	0.7
171.10214	0.2
178.09410	0.2
189.73119	0.2
207.10291	0.4
225.00777	1.1
230.92015	0.2
277.21643	0.9
305.17398	0.2
497.25974	0.2
819.41852	4.7
819.55688	0.3
820.42285	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	5.2
71.01402	4.4
71.56725	4.3
79.26844	4.1
81.20982	4.0
81.79624	4.5
95.01411	4.4
99.00885	8.9
105.03432	4.9
107.01391	14.8
107.05115	4.4
109.02946	20.8
119.05013	11.1
121.02969	5.5
123.00893	17.6
125.02465	96.4
131.04968	6.9
137.02460	28.3
140.01128	4.1
145.02968	7.8
147.04524	18.5
149.02542	6.6
149.06059	13.6
159.04562	19.1
161.02487	9.7
163.00392	8.7
163.03973	7.1
165.01952	9.7
165.05556	6.3
166.99908	4.7
168.00661	10.7
169.01450	100.0
170.01776	5.8
173.02441	4.4
175.04044	70.1
177.01945	12.9
177.05594	39.3
189.01958	6.8
190.02760	5.3
191.03487	46.1
193.01395	17.4
193.05057	11.9
201.01918	9.5
203.03540	66.0
204.03804	7.4
205.01492	7.0
209.00981	10.6
210.45514	4.0
211.02484	23.2
217.01381	9.4
219.03011	26.2
220.03769	5.6
221.00897	8.3
221.04518	23.2
229.01411	11.0
235.02345	5.6
237.04070	17.7
245.00916	13.8
246.01326	4.0
247.02486	66.6
248.02881	5.7
261.00333	7.0
265.03574	24.4
271.04645	7.4
273.00430	16.4
275.01871	10.9
276.02362	5.1
276.15460	5.0
289.00012	4.4
291.01508	13.3
299.99246	6.0
300.99936	49.2
302.00226	11.0
303.00610	10.5
313.05725	12.3
316.99371	5.4
335.00497	6.2
409.07773	7.6
425.07297	8.5
435.05283	4.5
483.07706	13.9
561.08722	17.3
577.07904	21.2
587.06897	6.4
605.07983	50.7
631.05896	9.9
649.06836	33.1
729.09741	6.1
730.10388	4.8
731.10901	11.9
757.08185	7.3
775.10229	10.2
788.65375	4.2
801.07416	6.1
819.08820	17.9
819.23090	4.5
820.10211	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	819.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.7
62.61912	1.7
67.01923	1.7
69.84763	3.6
69.85152	3.9
71.01407	4.0
72.99290	2.8
79.05546	3.9
85.02952	2.1
87.00878	1.7
91.05556	2.2
93.03453	2.1
95.01384	3.4
96.96006	2.4
98.20583	2.5
99.00864	1.8
101.02449	3.2
103.05553	1.9
105.03479	2.4
105.07119	2.1
107.01405	13.4
107.05012	1.5
109.02988	2.6
111.00884	2.7
113.02479	2.6
115.05534	2.3
119.05053	10.8
121.02989	4.3
121.06597	3.6
123.00908	8.9
124.01688	2.4
125.02461	90.0
131.00238	1.5
131.05038	5.6
133.02969	2.9
133.06598	2.2
134.03789	2.8
135.04538	5.1
137.02463	5.3
139.00409	3.3
140.01212	3.5
143.03517	4.9
145.02985	4.3
147.04533	18.3
149.02466	3.7
149.06100	47.7
150.06534	1.8
151.00333	4.3
159.04530	19.0
161.02498	4.2
162.03268	10.0
163.04044	10.8
164.01262	2.2
165.05673	2.6
167.03477	2.2
168.00670	6.6
169.01447	100.0
170.01817	2.9
173.02452	2.4
175.04021	46.3
176.04732	4.9
177.01952	2.7
177.05603	97.9
178.05952	5.2
189.01994	3.7
191.03525	51.8
192.04002	1.6
193.01474	2.4
193.05090	6.2
201.01855	1.8
203.03529	50.0
204.03995	3.9
205.01469	4.2
209.04552	2.3
211.02524	13.3
219.03049	6.6
220.03755	9.5
221.04562	40.2
229.01450	2.4
235.02492	25.9
247.02493	42.4
248.02913	1.8
264.02679	1.7
265.03555	68.6
266.03873	4.5
271.04672	9.5
277.03491	1.6
291.01544	6.5
295.04446	3.7
300.99881	4.4
313.05722	9.8
379.06607	2.1
393.91699	1.7
409.07806	16.3
410.08353	2.2
414.72800	1.6
429.14200	3.3
447.83105	1.7
483.07819	9.3
531.07977	4.4
549.08301	1.9
561.08832	51.8
562.09241	6.6
578.91089	1.9
579.09882	8.3
605.07672	5.6
623.08929	2.4
701.09930	33.8
702.10126	4.4
731.11029	57.8
732.11554	9.4
745.09003	6.5
775.10095	18.3
776.09656	3.9
819.09064	18.0
820.09503	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.091
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.6
65.88556	1.4
66.73820	1.5
69.48247	2.8
69.48658	8.9
71.01392	3.4
79.05544	3.2
83.01379	2.3
85.02944	1.8
95.01395	3.2
96.96027	2.7
97.02988	2.9
99.00896	2.2
101.02461	2.4
103.05538	1.5
105.03481	1.7
107.01402	13.2
107.05035	2.6
109.02962	1.7
110.99264	1.4
111.00888	1.9
113.02436	2.1
115.05562	2.3
118.04247	2.3
119.05038	8.5
121.03035	2.1
121.06606	3.4
123.00883	5.7
124.01690	2.3
125.02464	75.2
125.99799	1.7
131.05013	9.6
133.02963	2.5
133.06586	3.6
134.03708	1.6
135.04515	2.3
137.02432	5.0
138.03232	2.1
139.00436	2.9
140.45074	1.6
142.36160	1.7
143.03494	4.8
145.02922	3.3
147.04536	17.1
149.02452	2.0
149.06094	44.4
150.06497	1.7
151.00342	4.3
159.04532	14.0
161.02446	4.9
162.03244	8.7
163.04013	7.2
165.01886	2.2
165.05597	4.5
166.99782	2.0
168.00642	4.5
169.01437	100.0
170.01801	4.4
173.02480	2.2
174.03178	1.6
175.04015	41.6
176.04674	5.6
177.05583	95.7
178.05890	4.9
189.01970	2.7
191.03526	52.2
192.03806	2.9
193.01419	4.3
193.05055	5.9
201.01917	1.8
203.01601	2.6
203.03522	47.8
204.04097	2.0
205.01393	4.5
207.03030	2.0
211.02519	13.5
217.01418	1.7
219.03036	7.9
220.03778	7.0
221.04565	34.9
222.04855	2.5
231.02991	1.8
235.02501	27.1
241.03613	2.0
247.02486	38.8
248.02716	3.0
265.03555	72.6
266.03934	4.0
271.04608	10.2
277.03583	2.9
291.01419	5.5
295.04694	4.1
300.99954	2.8
313.05719	10.5
409.07715	15.7
429.14011	3.2
483.07843	12.1
531.07391	3.6
538.65906	1.7
561.08807	43.8
562.09015	5.5
579.10046	8.3
605.07690	5.7
687.11249	2.1
701.09814	32.5
702.10632	4.3
731.11011	59.6
732.11334	11.7
745.08978	6.5
775.10077	25.4
776.10590	2.9
819.09052	16.7
820.09595	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	818.4554
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98545	0.2
70.63048	0.2
70.63382	0.2
70.84100	0.1
71.91207	0.1
79.95747	0.2
80.96528	1.0
94.98121	0.3
96.96027	0.3
98.20594	0.1
116.45480	0.1
146.12154	0.1
164.98701	0.1
196.40091	0.1
209.11903	0.3
210.12135	0.1
225.00833	0.3
225.72386	0.1
277.21912	0.3
278.22058	0.2
289.18149	0.1
293.21216	0.2
307.19476	0.2
362.98190	0.1
788.34583	0.1
814.62244	0.1
819.41907	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.3
61.98835	100.0
69.98048	1.1
71.01397	0.4
75.19648	0.2
78.95924	0.4
79.95760	0.4
80.96518	1.2
82.96109	0.2
96.96026	3.1
97.95895	0.3
98.19856	0.3
98.95615	0.3
125.02452	0.3
181.03853	0.2
209.11827	0.3
211.13393	0.4
225.00729	0.3
271.62952	0.2
300.99924	0.8
302.00583	0.3
311.42404	0.3
818.50671	0.8
819.39026	0.5
819.53607	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.0
58.22198	3.4
59.01387	76.2
61.98854	21.8
69.03430	2.8
70.16177	3.1
71.01392	64.3
72.99310	6.9
73.02959	9.2
75.00872	3.6
76.27155	2.9
78.95928	2.9
79.95754	6.9
80.96532	13.5
81.03455	6.1
82.96137	4.1
83.01407	5.7
83.05026	5.8
85.02971	14.5
87.00895	14.8
89.02449	53.4
95.01381	6.2
96.96024	26.3
97.02980	16.5
97.06599	4.7
99.00931	2.9
101.02444	35.1
104.94615	2.8
109.06597	42.2
111.00904	3.3
113.02476	24.2
116.92838	3.2
119.03492	10.8
121.06702	3.4
125.01675	3.4
125.02429	20.7
125.09693	8.5
126.90434	3.5
131.19269	3.3
135.08125	5.1
140.31844	3.0
142.02759	4.2
143.03514	3.1
161.04564	11.2
163.11305	24.2
169.01436	3.4
175.02539	4.4
179.05655	12.1
181.12328	8.2
183.13875	12.1
185.11891	14.4
207.10274	100.0
208.10568	9.3
209.11852	20.6
211.13426	97.7
212.13763	6.2
221.06645	10.0
225.00801	4.0
225.11345	57.5
225.13521	3.5
227.12860	4.4
235.08221	7.7
247.39018	4.3
251.12839	4.2
263.07773	4.0
272.06104	2.7
286.47821	2.8
300.99777	6.0
339.23224	6.4
355.22849	4.1
357.24481	7.0
373.23950	9.9
379.12323	3.9
383.22192	16.5
384.22726	4.0
391.25003	12.4
397.13422	50.6
398.13965	3.7
401.23349	38.5
402.23596	6.9
415.14630	12.5
419.24368	25.0
605.24371	8.7
623.25702	8.4
771.37830	10.5
781.36865	12.7
782.37457	5.7
785.72064	3.6
799.37598	95.6
800.37775	25.5
816.48877	3.9
817.38544	59.8
817.51355	11.4
818.38782	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	817.3828
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01728	0.8
61.98840	64.6
62.98553	0.8
69.63486	2.4
71.01406	2.9
73.02973	0.6
78.95934	0.4
78.98615	0.6
79.95739	0.5
80.51290	0.4
80.96530	3.0
83.01437	0.5
85.02959	0.8
87.00876	0.6
88.57314	0.3
89.00968	0.4
89.02450	2.0
94.98084	0.3
96.96049	0.9
96.99337	1.5
97.02970	1.0
98.20682	0.6
99.00861	0.4
101.02460	2.1
113.02477	1.2
119.03527	0.7
125.02428	1.0
139.00368	0.4
141.01724	51.8
142.02061	1.0
142.05130	0.4
155.84167	0.3
160.72685	0.4
161.04596	0.4
229.26416	0.3
235.08162	0.5
243.04773	0.5
277.21747	5.4
278.22244	0.6
306.04504	0.3
359.22107	4.3
397.13513	10.6
398.13696	0.8
415.14542	2.6
419.11633	2.2
437.12778	3.6
490.32718	0.4
497.53357	0.4
591.63379	0.4
675.36273	0.6
697.33752	1.7
698.34882	0.7
817.36340	0.8
817.50214	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	817.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.1
61.98848	1.4
70.07182	2.6
70.07594	1.6
71.01391	23.5
72.99316	2.0
73.02971	2.5
78.72305	0.8
79.95715	0.9
80.05088	1.3
80.96520	1.3
83.01411	1.2
83.05058	1.3
83.13400	0.9
85.02969	2.1
87.00884	54.9
87.61827	0.9
88.88654	0.9
89.02459	2.3
94.06597	1.8
96.96024	4.7
101.02449	3.2
106.06592	1.5
107.03777	3.2
109.06645	0.8
112.98884	1.6
113.02444	2.1
114.56750	0.9
115.00385	65.2
116.00719	1.5
119.03493	0.9
122.06139	25.8
124.07755	1.1
125.02447	2.7
134.06131	5.5
137.02325	1.0
139.02760	1.3
143.03491	1.1
152.07187	41.9
153.07483	1.1
161.04755	1.7
163.11305	1.7
169.01419	1.8
174.05606	1.0
175.02487	91.5
176.02823	3.6
190.50870	1.0
206.29097	0.9
207.10266	2.1
209.11835	20.1
210.12184	1.2
211.13429	1.3
213.10300	1.9
225.11443	0.8
226.11111	1.2
227.12978	1.8
235.08560	2.0
237.10294	1.2
239.11945	4.1
241.13525	3.5
245.12997	1.3
249.10280	2.5
250.11076	1.0
261.65399	0.9
263.08298	2.4
275.14981	1.0
277.09692	2.0
278.10641	9.1
279.11246	2.6
285.03992	1.0
285.12469	5.9
290.10587	1.6
291.11316	1.8
293.13092	1.5
295.10834	1.7
300.99869	9.1
332.17569	1.3
356.13910	1.1
357.14325	1.0
358.15622	2.8
370.15976	1.0
372.17249	2.2
383.22095	1.2
384.13553	2.4
385.14291	3.3
397.13669	4.7
398.14819	1.7
399.15613	1.2
400.16635	17.9
401.16898	2.7
412.16809	6.3
443.18521	1.2
534.75043	1.0
537.25116	1.5
565.24628	18.2
566.24902	4.6
597.27380	5.8
598.26929	1.4
609.23584	37.1
610.23785	7.5
641.26208	100.0
642.16559	1.7
642.26605	21.9
736.39044	1.0
799.37524	3.4
817.36176	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	817.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00616	0.8
59.01108	1.0
59.01387	15.9
60.12716	0.6
61.98825	1.7
65.99829	0.6
70.30321	3.0
71.01390	21.2
72.99316	2.8
73.02949	1.4
80.05061	1.5
83.01391	1.1
85.02936	2.1
87.00888	56.8
94.06612	2.4
96.96017	2.2
101.02441	0.9
107.03796	3.6
112.98817	1.4
113.02428	0.9
115.00389	61.2
116.00710	1.3
120.04592	0.8
122.06138	26.2
123.06484	0.9
124.07677	0.7
125.02467	3.8
129.01950	0.8
134.06145	3.4
135.04549	3.3
139.02759	1.7
150.05664	0.8
152.07191	39.1
153.07516	1.9
155.10811	1.6
160.06467	0.8
169.01443	3.7
174.01732	1.3
175.02498	84.7
175.24492	0.6
176.02802	3.9
179.03458	2.1
180.33401	0.7
190.05092	1.0
191.85542	0.6
196.59416	0.7
199.09851	0.9
213.10403	3.2
215.10191	0.7
235.08794	1.1
237.10355	1.5
239.11932	3.2
241.13475	4.1
248.09628	0.8
249.10355	1.9
250.10863	0.9
251.11749	0.8
263.08310	3.4
264.08862	1.2
265.09918	0.9
276.09164	0.9
277.09891	1.4
278.10614	8.8
279.11304	1.4
285.04233	1.6
285.12509	6.5
290.10641	1.8
291.11423	1.9
293.13040	1.2
295.10950	1.5
300.99863	2.0
302.26175	0.7
323.10425	0.9
325.11783	1.6
355.12918	1.1
356.17914	0.9
357.15030	1.0
358.15616	2.8
370.11826	1.5
370.15915	1.0
372.17184	1.3
382.12143	0.7
384.13330	1.5
385.14407	3.6
397.14041	1.2
398.15137	1.8
399.15845	1.6
400.16675	18.1
401.16940	2.7
412.16666	7.4
413.17053	1.5
415.18845	1.3
443.18591	2.0
445.14081	0.8
457.29495	1.6
495.15079	0.7
497.25488	0.8
506.67590	0.7
565.24609	21.2
566.25275	4.9
597.27185	5.8
609.23590	33.9
610.24158	6.5
641.26239	100.0
642.26465	24.9
817.20935	0.9
817.37402	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	10.8
61.98849	5.5
63.55584	1.1
71.01388	15.4
71.57518	1.6
72.99329	2.5
73.02937	3.2
80.05034	1.1
83.01359	1.1
85.02956	1.2
87.00882	39.3
87.29958	1.2
94.06630	2.2
96.96032	7.0
99.00884	1.4
104.05067	1.2
106.06677	1.3
107.03761	4.3
113.02456	1.9
115.00387	44.9
121.05379	1.2
122.06128	29.1
123.06460	1.6
125.02434	4.3
134.06105	3.6
139.02744	2.7
145.03014	1.4
150.03175	1.4
152.07182	41.5
153.07460	1.5
163.04070	1.5
165.05551	1.7
169.01434	4.3
174.01726	7.7
175.02484	68.2
176.02750	1.7
190.93259	1.0
195.06616	1.4
209.11865	1.7
213.10379	3.9
215.08220	1.1
223.80132	1.2
237.10287	1.5
239.11922	4.0
241.13458	3.1
249.10339	1.7
262.07474	1.3
263.08200	4.2
276.08798	1.2
277.09787	3.1
278.10538	8.3
279.11145	1.8
285.04111	8.0
285.12509	6.1
290.10587	1.7
291.11319	2.4
293.12918	1.4
300.99973	6.4
323.10406	1.4
355.16019	2.2
358.15475	4.2
370.11664	2.0
370.15952	1.5
371.15155	1.2
372.17130	1.8
384.13351	2.6
385.14267	3.6
399.15582	1.7
400.16687	17.7
401.16867	2.4
412.16953	6.5
443.18588	2.0
523.23163	1.6
565.24640	18.2
566.24603	3.4
597.27100	5.2
609.23511	39.9
610.24115	7.3
641.26178	100.0
642.26514	21.2
703.73358	1.2
811.00439	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00312	1.5
59.01378	10.1
69.94459	1.5
69.94741	7.6
71.01385	6.2
78.82977	1.4
85.02948	4.0
89.02448	5.5
95.01412	2.3
99.65049	1.5
101.02435	4.4
108.90914	1.5
111.33086	1.4
113.02435	7.0
115.55861	1.6
119.03519	3.2
125.02424	2.8
135.11835	14.8
159.08122	1.8
159.11850	2.3
161.09729	11.4
169.01424	2.7
179.05544	2.3
179.10791	62.9
180.11072	3.5
203.10789	10.2
220.94522	1.5
221.11804	3.3
223.09775	100.0
224.10062	6.6
254.09416	1.7
268.03806	14.4
269.04572	16.4
270.05286	1.7
285.04068	1.9
293.25000	1.5
300.99896	2.6
325.12448	2.5
385.15036	54.2
386.15405	5.2
431.09988	17.1
432.10138	1.9
547.09082	1.5
817.29205	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0747
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
69.78210	1.2
69.78616	0.8
71.01392	0.4
82.18974	0.4
87.00890	3.5
87.93027	0.4
91.05503	0.4
91.69294	0.4
95.01392	0.5
100.19936	0.4
105.03458	0.6
108.91411	0.5
117.03478	1.2
119.05029	1.8
121.03004	0.5
123.00911	0.9
125.02441	1.3
129.03496	0.8
131.04999	0.9
133.02942	0.7
135.04480	0.9
140.09651	0.4
145.02950	3.1
147.04526	3.4
149.02480	0.8
149.06108	1.0
151.04002	0.7
153.40828	0.4
157.02924	1.0
158.03754	0.7
159.04520	1.9
161.02432	2.2
162.03085	0.5
163.04016	2.8
169.01396	0.6
173.02487	4.2
174.03165	0.5
175.04018	8.6
176.04254	0.4
177.01883	2.3
177.05566	2.5
185.02400	2.8
188.32686	0.4
189.01912	2.1
190.02725	1.6
191.03513	6.6
193.01404	1.3
201.01942	4.6
202.02545	0.4
203.03514	9.6
205.01381	1.3
213.01991	0.7
217.01447	4.2
218.01910	0.7
219.02985	2.8
221.00917	1.6
221.04549	1.5
229.01440	8.7
230.01875	0.6
231.02934	2.8
233.00850	0.6
235.02525	3.2
242.99222	0.7
245.00937	5.7
246.01508	0.6
247.02486	13.6
248.02905	1.1
249.04065	3.0
257.00958	5.5
258.01675	1.8
259.02444	0.7
261.00507	0.5
263.01849	1.2
265.03577	2.5
270.98947	0.8
273.00427	11.6
274.01022	1.4
275.02005	28.0
276.02295	2.2
277.03546	1.2
283.99628	2.4
291.01425	3.2
298.98401	1.7
299.99115	3.5
300.99915	100.0
302.00220	7.7
303.00574	0.7
316.99377	1.1
319.00818	0.8
323.04150	0.7
335.00476	1.6
337.05737	0.8
340.99506	0.6
367.06894	0.8
378.91263	0.4
397.07599	1.4
419.06311	0.7
423.05557	2.6
427.08740	1.1
435.05719	0.8
437.07330	0.8
441.06717	1.9
453.06943	1.9
461.03040	0.7
471.07745	0.7
479.04688	1.2
496.98334	0.4
497.05716	0.8
515.06555	0.6
604.13715	0.5
655.10181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0745
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13837	0.6
66.12952	0.6
73.98140	0.7
77.29228	0.5
99.00880	0.8
107.05039	0.6
109.02964	1.4
117.03489	0.7
119.05015	2.8
121.02963	0.9
123.00892	1.7
123.24232	0.6
124.01747	0.6
125.02473	3.6
127.30160	0.6
131.05037	1.6
133.02948	1.6
135.04512	0.8
137.02478	3.4
145.02910	3.7
147.00844	0.7
147.04482	4.8
149.02478	0.7
149.06091	4.1
151.89839	0.6
152.04395	0.6
157.02974	1.4
159.04503	4.1
161.02409	2.1
162.03244	1.2
163.00366	0.9
163.04024	2.9
165.01917	1.9
167.03586	0.7
169.01476	1.7
173.02454	3.1
174.03226	0.7
175.04033	13.1
176.04376	0.6
177.01952	2.4
177.05568	7.9
178.05951	0.9
180.60040	0.6
185.02480	3.6
187.04027	1.1
189.01965	2.4
190.02705	1.7
190.99940	0.9
191.03534	9.4
192.03938	0.8
193.01424	2.4
193.05096	2.1
201.01953	6.3
202.02454	0.7
202.55862	0.7
203.01624	1.0
203.03508	17.3
204.03789	1.2
205.01402	2.3
209.00790	1.0
213.01927	2.4
214.02644	1.1
217.01448	3.1
218.02051	1.1
219.03018	6.8
220.03519	0.9
221.00966	1.4
221.04593	5.4
226.99907	0.6
228.00641	0.8
229.01434	13.8
230.02003	1.7
230.99524	0.7
231.02986	5.9
235.02701	0.7
237.04057	2.1
244.00215	0.6
245.00870	4.4
246.01378	1.2
247.02501	18.0
248.02908	1.5
249.04056	7.7
257.00928	12.4
258.01718	6.0
259.02301	0.8
261.00348	1.1
263.01672	0.7
265.03561	11.8
270.98889	2.3
271.99182	0.9
273.00461	8.7
274.01108	3.0
275.01999	100.0
276.02347	7.2
283.99625	2.0
287.02051	1.2
288.99747	1.1
289.03384	0.8
291.01495	4.0
298.98276	3.8
299.99066	2.9
300.99915	63.5
302.00278	7.1
303.00513	2.2
304.00848	0.6
313.43076	0.6
316.99289	3.7
319.00983	4.2
333.02347	0.7
409.07883	2.2
419.06052	1.0
425.07291	2.0
427.08716	2.5
437.07294	2.3
453.06689	6.6
454.07126	1.0
471.07202	0.9
479.04642	2.7
497.05856	2.7
537.42731	0.7
622.98621	0.7
685.10052	1.4
729.09601	2.3
729.76727	0.6
773.07928	1.0
817.08301	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.9
61.98836	100.0
62.75785	0.2
71.01392	0.5
78.98576	0.3
79.95750	0.8
80.96528	3.7
94.98098	0.8
96.96040	0.8
97.02961	0.2
101.02482	0.2
101.54918	0.2
114.34932	0.2
121.03033	0.3
125.02469	0.3
154.33643	0.2
161.46060	0.2
164.98732	0.3
188.88518	0.2
209.11900	0.5
225.00836	0.7
238.76714	0.2
275.02121	0.2
299.09995	0.2
301.00098	0.6
313.17789	0.3
448.10062	0.2
815.50616	0.6
816.49933	2.7
817.50867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
62.40291	0.8
69.71444	4.3
71.01378	1.8
76.57887	0.8
79.05508	0.9
95.01382	1.3
106.77345	0.8
114.21111	0.7
115.05500	1.0
117.03502	1.3
118.23042	0.8
119.05008	3.2
120.54066	0.8
121.06569	1.2
123.00857	2.4
125.02404	2.4
129.03444	0.9
131.04997	2.1
133.02940	1.7
133.06535	1.0
135.04544	1.4
137.02458	2.2
145.02934	2.4
147.04572	5.4
149.06078	11.6
157.02873	1.0
158.03848	1.0
159.04501	7.3
161.02455	2.7
162.03168	2.2
163.03976	2.5
165.05615	1.2
169.31635	1.1
173.02414	3.5
175.03999	14.2
176.04712	1.7
177.02005	2.0
177.05585	25.6
178.05884	1.5
185.02415	3.5
187.04016	1.3
189.01892	2.4
191.03491	9.4
194.15143	0.8
201.01901	7.5
203.03513	21.0
204.03926	1.0
205.01353	1.7
213.01965	2.6
214.02673	1.5
217.01387	2.5
218.02322	1.0
219.03072	5.3
220.03630	1.7
221.04562	7.5
226.99863	0.9
228.02704	0.9
229.01427	13.8
230.01895	1.2
231.03084	6.6
235.02435	3.2
245.00835	4.5
247.00035	1.6
247.02470	17.7
249.04073	13.4
250.04378	1.3
257.00906	12.4
258.01572	6.6
265.03555	31.1
266.03799	2.0
270.98810	2.8
273.00369	3.6
274.01068	3.1
275.01999	85.7
276.02261	6.3
283.99579	3.5
291.01584	4.2
298.98239	3.4
299.99084	4.2
300.99924	100.0
302.00272	10.1
303.00464	2.3
309.02530	1.3
316.99323	2.5
317.99524	1.3
397.07596	1.6
409.07855	5.6
419.06232	3.4
427.08926	8.2
437.07260	3.9
453.06769	5.7
479.04626	1.2
494.84583	1.2
685.10779	4.7
699.08142	1.8
729.09570	6.7
743.07837	1.1
744.09711	1.0
773.08557	3.1
774.47620	0.9
817.07452	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	815.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.4
63.96239	1.9
64.97011	0.4
66.72356	0.3
69.03464	0.8
69.22617	0.3
70.93856	0.8
71.01395	9.2
72.99335	0.5
73.02955	2.5
78.95895	0.5
78.98600	8.6
79.95746	16.5
80.96525	100.0
81.03462	1.1
83.01398	0.5
85.02944	3.6
87.00882	3.2
88.14540	0.4
94.98098	22.2
95.01398	0.5
96.95995	2.1
97.02957	1.6
99.00879	0.9
101.02448	3.1
106.98100	4.4
110.22129	0.3
122.97603	4.2
125.02453	4.1
127.04029	0.8
134.97601	7.3
134.98630	0.4
136.99161	2.0
141.01735	1.8
146.97614	0.7
148.99155	7.6
152.98639	7.4
152.99765	0.7
164.98645	13.8
165.98848	0.6
167.00258	0.6
167.31975	0.4
206.99669	2.9
208.98270	0.6
225.00757	18.9
226.01100	0.7
255.23334	2.1
277.21796	1.1
305.02304	0.6
387.02460	0.4
413.96539	0.4
450.35568	0.4
452.60199	0.4
537.27399	1.7
559.25604	1.7
697.86627	0.5
815.49884	88.7
816.50275	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	815.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	4.4
70.29925	3.7
71.01388	3.9
73.02962	1.1
78.98604	1.1
80.02689	1.1
80.96510	6.5
81.03484	1.6
83.05029	3.4
83.72135	0.8
88.98833	1.5
89.02447	2.3
94.98090	1.1
95.01329	0.9
101.02431	2.7
104.60841	1.0
113.02509	1.1
119.03507	0.8
125.02524	1.0
127.00919	1.0
149.53333	0.9
161.04654	1.1
163.11266	2.2
165.12833	1.6
209.11852	100.0
210.12187	6.6
225.00804	1.5
227.12897	11.9
235.08226	3.3
253.09270	8.5
255.23296	1.0
271.76318	1.0
277.21735	83.5
278.22055	7.7
294.79837	1.1
445.20892	2.1
513.30591	1.3
815.50128	7.1
816.50104	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	815.096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53156	2.7
69.53547	9.8
79.01915	1.6
79.48096	1.5
89.03973	2.0
95.01402	15.9
105.03481	1.6
107.01413	6.3
113.62430	1.5
117.03480	4.9
123.00900	29.9
125.02457	30.7
133.02974	4.5
135.04491	1.6
137.02460	1.9
139.00406	3.1
145.02985	12.1
147.04559	4.4
149.02402	1.8
157.02969	3.6
159.00868	1.9
160.01701	2.1
161.02454	14.4
162.03072	1.4
163.00446	4.6
163.04004	6.0
165.01968	1.9
166.99873	15.2
168.00537	2.9
169.01447	29.0
171.00909	3.9
173.02477	13.7
174.03140	2.0
175.04005	4.8
176.01122	2.3
177.01920	4.2
179.03586	1.9
185.02438	4.7
187.00339	2.3
187.03931	2.3
189.01982	17.5
190.02611	3.5
191.03537	8.9
193.01538	2.7
199.00417	5.1
200.01186	5.0
201.01949	15.5
203.03493	3.7
205.01360	2.5
211.02444	2.6
213.01859	2.6
214.99939	2.4
216.00597	5.3
217.01422	31.3
218.02016	1.9
219.02974	4.4
226.99826	7.5
227.03317	2.8
228.00627	3.3
229.01410	21.1
230.02065	2.9
231.02988	5.9
233.00987	2.1
233.98146	1.8
242.99355	6.3
243.02919	3.7
244.00163	6.6
245.00914	40.4
246.01498	3.2
247.02446	11.8
248.02838	2.1
254.99318	2.7
257.00974	12.3
259.02359	2.3
261.00372	6.1
263.02069	2.7
267.03030	2.7
270.98898	8.4
271.01859	1.7
271.99637	6.3
273.00433	67.4
274.00983	7.1
275.02008	21.0
282.18683	1.6
283.02585	1.8
283.99631	3.2
287.02090	2.9
288.99863	2.4
291.01385	3.3
297.03806	2.1
298.98404	11.1
299.99176	20.3
300.99918	100.0
302.00403	8.3
305.02975	1.9
313.05917	2.2
315.01465	3.4
316.99448	9.1
343.00848	2.8
392.51358	1.8
401.04675	2.3
427.03159	2.2
445.04013	3.3
447.05591	2.1
461.03595	3.2
463.05142	6.3
465.06796	3.0
541.06012	2.4
553.05981	2.1
569.05304	2.5
585.05231	2.6
593.15485	1.7
595.03638	15.0
596.04242	3.1
596.95673	3.3
597.05316	65.0
598.05933	8.7
613.04596	11.1
615.06366	34.6
616.06213	7.6
631.05902	4.0
711.08624	3.6
721.06171	2.4
755.07196	6.7
765.05786	21.5
766.06512	5.0
783.06952	11.2
784.06799	2.7
803.64911	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12107	0.3
59.01374	0.4
60.99314	19.7
61.98833	0.5
69.19616	1.7
69.20039	1.0
72.99345	0.3
87.00893	0.9
88.00417	1.9
88.01222	0.4
88.98817	100.0
89.02449	12.9
89.03020	0.5
89.99154	1.2
101.73994	0.3
130.29019	0.3
209.11925	2.1
215.55038	0.3
220.41676	0.2
277.21796	1.6
423.56348	0.3
449.36115	0.3
627.81317	0.4
753.58990	0.3
786.47040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.429
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.4
60.99316	18.7
61.98833	0.4
67.75530	0.3
69.90394	1.3
87.00885	1.2
88.00412	2.2
88.98817	100.0
89.02453	12.2
89.99141	1.3
98.20029	0.4
146.50874	0.3
162.01942	0.3
209.11896	1.1
235.08795	0.3
243.30101	0.3
257.82660	0.3
277.21774	1.9
300.99808	0.8
329.32864	0.3
453.74615	0.3
604.21643	0.4
649.46649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.0798
Annotation	Unknow
Peak:m/z	Relative Intensity
69.80880	1.2
117.03484	0.6
123.00896	0.4
133.02979	0.8
145.02950	1.5
147.04539	0.5
157.02954	1.3
159.04541	0.3
161.02446	1.0
163.04044	0.9
173.02484	2.1
175.03981	0.8
177.01984	0.5
178.99890	0.5
185.02429	2.7
187.00349	0.3
187.04005	0.3
189.01959	1.2
190.02742	0.9
191.03467	0.6
199.00308	0.6
201.01971	3.0
203.03555	0.9
213.01930	0.4
214.99977	0.4
217.01442	2.2
219.02930	0.4
226.99896	0.6
228.00594	0.3
229.01433	4.6
230.02113	0.6
231.03084	0.7
242.99388	0.7
245.00919	3.3
246.01442	0.3
247.02464	0.8
249.03976	0.4
254.99382	0.7
257.00955	2.1
259.02576	0.3
261.00375	0.4
270.98837	2.0
271.99658	0.5
273.00452	2.9
274.01068	0.4
275.01953	2.9
277.03488	0.5
283.99670	2.2
287.01968	0.6
291.01529	0.3
298.98367	2.6
299.99091	2.6
300.99915	100.0
302.00259	8.2
305.03079	0.6
315.01486	0.4
331.01056	0.5
349.02087	0.7
399.77246	0.3
451.05084	1.3
461.03430	0.6
462.03702	0.3
479.04633	3.6
493.06223	0.7
511.07349	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87377	0.2
60.89573	0.2
63.66136	0.2
63.69895	0.2
65.00305	0.2
83.80438	0.2
117.03485	0.8
119.05103	0.2
121.02979	0.3
123.00869	0.3
125.02436	0.3
129.03467	0.3
133.02950	0.7
135.72923	0.2
137.02483	0.2
145.02979	2.1
147.04526	0.7
149.02507	0.3
151.00366	0.3
157.02956	0.8
159.04584	0.2
161.02470	1.4
162.03207	0.2
163.04036	0.8
169.01439	0.4
171.00951	0.3
172.01640	0.3
173.02464	2.2
174.03027	0.2
175.04018	0.8
177.01927	0.5
178.99864	0.2
185.02478	2.1
187.00412	0.3
187.04008	0.3
189.01950	1.9
190.02716	0.8
191.03470	0.8
191.94708	0.2
193.01479	0.2
199.00330	0.3
200.01213	0.5
201.01939	3.0
202.02626	0.2
203.03506	1.2
205.01396	0.2
213.02011	0.5
214.99899	0.5
216.00647	0.4
217.01450	1.8
218.02135	0.3
219.03088	0.3
221.00935	0.2
226.99890	0.9
228.00569	0.5
229.01437	4.6
230.01933	0.4
231.02979	1.0
233.00903	0.2
241.39586	0.2
242.99292	0.6
244.00064	0.5
245.00937	4.6
246.01454	0.4
247.02495	1.5
249.04057	0.4
254.99339	0.7
257.00937	2.7
258.01547	0.6
259.02536	0.3
259.99744	0.3
261.00467	0.4
261.04129	0.2
263.01971	0.2
269.00873	0.4
270.98846	1.8
271.99539	0.6
273.00449	6.2
274.00940	0.6
275.02020	3.9
276.02255	0.2
277.03381	0.3
283.99670	2.2
285.00281	0.5
287.02045	0.6
288.99738	0.2
291.01501	0.4
297.00388	0.2
298.98367	3.1
299.99112	3.4
300.99921	100.0
302.00256	7.9
303.01358	0.3
305.03061	0.8
312.99994	0.5
315.01572	0.5
316.99408	0.5
331.00992	0.7
340.99261	0.3
343.01074	0.2
349.02170	0.5
359.00531	0.2
364.54681	0.2
375.03241	0.2
391.03146	0.3
435.05640	0.4
451.05295	1.3
452.05392	0.2
461.03680	1.1
479.04736	4.4
480.04849	0.4
481.06110	0.6
493.06308	1.0
511.07352	1.3
748.08167	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
81.51333	67.0
83.75436	67.0
84.30400	58.4
95.46284	56.7
175.39001	54.7
227.84822	56.9
245.53751	65.8
277.21725	100.0
785.88879	76.6
808.65784	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.6
59.01137	3.3
59.01390	30.3
61.19199	2.6
61.98827	8.8
69.03422	3.7
71.01396	6.9
71.56857	3.7
78.95934	2.6
79.80391	2.5
81.03455	4.9
83.01377	6.7
83.05058	6.7
85.02939	4.5
87.00861	3.7
89.02447	4.6
90.48190	2.7
96.96028	7.8
97.02961	9.4
97.06578	5.7
101.02471	6.1
109.05909	3.4
109.06609	41.7
110.03790	3.4
113.02451	7.8
117.32087	2.6
118.04205	2.9
121.06608	4.2
123.04529	8.1
125.02435	2.6
125.09728	6.3
130.00739	3.1
135.08183	3.5
137.09698	4.5
161.04533	3.9
163.11319	29.7
169.01320	3.1
181.12337	8.2
185.11806	11.3
191.14426	5.3
207.10278	100.0
208.10599	7.3
209.11844	26.6
225.11346	45.2
235.08255	4.0
245.19104	8.7
253.09351	15.5
289.18097	50.9
300.99954	15.4
307.19199	47.5
308.19482	3.2
393.87338	3.1
399.21771	5.4
417.22797	3.4
443.19177	4.4
461.20068	17.4
479.28265	4.2
497.29074	4.8
529.61578	2.9
635.30292	10.8
653.32166	4.3
715.36578	5.0
733.37830	11.6
734.38416	3.8
751.39130	42.5
752.39392	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	807.431
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	52.8
71.41078	31.5
96.96020	23.9
119.28669	14.0
121.00250	14.0
125.02474	24.2
141.24640	16.1
169.01501	39.5
209.11867	100.0
253.09282	36.0
274.98242	15.1
279.83618	16.9
291.19583	23.8
293.21225	65.1
300.99911	31.9
729.37732	16.1
807.43109	34.1
808.41876	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74931	2.9
59.01398	6.1
61.98832	18.5
63.86460	2.5
64.05598	2.7
65.18305	2.6
69.43779	12.8
69.44193	5.8
71.01385	4.4
78.95905	2.9
83.05008	2.6
85.02940	3.4
88.25459	2.5
88.98808	8.5
89.02445	4.8
93.85442	2.3
96.96008	17.5
101.02457	4.6
116.92876	8.6
117.03437	2.7
123.04510	3.8
125.02460	7.8
138.01965	8.4
145.02924	8.5
147.96913	2.4
151.04041	3.7
153.05719	2.4
159.89738	2.5
161.04572	2.6
163.03975	6.1
165.12851	3.4
169.01437	6.8
171.10243	5.7
196.82950	2.6
209.11844	100.0
210.12161	6.7
211.13370	5.9
227.12946	25.6
229.14432	4.7
235.08258	16.0
253.09343	27.8
253.83891	2.4
291.19690	7.0
295.68555	3.1
300.99948	5.3
309.20645	9.7
314.06891	2.4
327.21774	88.4
328.21967	7.5
445.20740	11.0
474.88889	2.5
485.06586	2.9
519.33331	3.8
545.29773	9.8
563.30652	14.5
647.35913	3.6
717.94281	3.1
755.42572	3.4
773.43091	2.9
809.41132	39.9
810.41284	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	807.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.8
61.98833	24.5
70.47225	16.6
71.01357	6.5
78.95921	7.0
83.04988	5.1
89.02501	5.3
96.96013	12.2
97.02978	5.0
97.06577	5.4
101.02475	13.5
109.06642	7.0
125.02476	7.0
163.11386	7.0
165.12885	6.8
171.10242	13.4
183.13948	5.8
191.14445	7.6
197.11845	13.3
207.10339	19.3
209.11841	100.0
210.12331	6.9
211.13399	12.4
223.09929	6.3
225.11346	11.9
227.12903	21.1
243.19801	4.5
245.19133	6.0
253.09351	20.8
277.13052	5.0
289.18137	19.7
291.19669	14.4
293.21317	8.7
300.99945	11.1
307.19171	31.9
309.20660	19.2
452.09906	5.7
655.91699	6.0
735.39575	6.6
753.41040	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	807.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	19.6
61.98830	56.4
70.07726	30.7
71.01372	13.3
78.73376	8.6
88.57726	7.3
88.98788	12.0
89.02438	9.9
93.22273	6.9
96.96010	100.0
98.95632	10.0
99.92617	9.5
101.02410	9.1
108.02177	9.5
109.06570	25.1
116.92866	87.8
116.97236	7.1
120.41154	7.6
125.02457	31.8
135.27625	7.0
138.01981	87.5
139.02332	8.8
163.11189	7.9
169.01413	25.5
171.10316	18.4
171.44687	7.5
207.10292	80.3
209.11841	75.8
210.12198	10.8
211.13487	23.5
217.01488	7.4
225.11293	22.3
227.12872	15.9
235.08119	12.2
253.09308	47.3
256.16235	8.3
266.28171	8.2
289.17947	8.1
300.99890	23.2
303.05011	7.7
309.20856	11.7
325.20190	38.4
327.21780	84.8
334.93741	8.1
443.19055	9.4
450.95636	7.7
461.20422	15.1
504.72305	7.9
545.30164	10.9
563.30579	13.9
565.70392	7.5
753.40869	10.3
771.41534	59.1
772.41443	8.6
807.39209	62.1
808.39441	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	807.2207
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.2
62.04411	0.8
62.55503	0.9
69.03443	0.8
71.01378	2.7
78.95926	1.0
87.96571	0.9
95.01414	1.9
101.02516	0.9
106.07249	0.8
107.01419	4.1
119.05070	1.7
123.00898	5.1
124.01683	1.2
125.02463	36.0
126.02808	1.6
131.37688	0.8
137.02443	1.3
139.00352	2.1
140.01114	1.0
145.02930	1.1
149.02354	1.0
151.00381	2.6
161.02420	1.2
163.00337	1.3
163.04091	2.0
165.01955	1.6
166.99855	1.5
167.03499	1.1
168.00674	6.0
169.01453	54.0
170.01755	2.0
173.02434	1.6
186.13089	0.9
189.01991	1.7
191.53375	0.9
193.01466	2.3
196.71712	0.9
201.01921	1.6
203.03546	1.2
209.00829	1.1
211.02496	23.5
217.01387	1.4
229.01366	2.0
241.03516	2.1
245.00935	3.2
247.02490	1.7
257.00958	2.5
270.98886	1.4
271.04614	32.7
272.04938	1.8
273.00433	5.3
274.01306	0.9
275.01898	4.9
279.01675	0.9
285.00259	0.9
291.01291	1.0
298.98297	1.5
299.99274	6.8
300.99915	42.0
302.00177	3.9
313.05688	10.1
314.06146	1.1
315.01456	1.3
331.06674	4.1
343.00897	1.2
359.21835	1.0
445.04169	2.4
463.05136	12.8
483.07822	100.0
484.08063	11.4
581.48785	1.0
613.04877	1.2
633.07220	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62268	0.4
58.93489	0.4
59.01389	2.6
61.98831	1.4
66.95933	0.5
71.01375	2.3
71.56509	0.4
73.02923	0.5
78.91911	0.5
78.95906	0.6
80.91684	0.5
80.96519	0.5
82.95425	16.2
84.00892	0.5
89.02444	2.2
96.96027	0.8
96.96966	0.4
101.02449	2.8
113.02470	1.1
119.03491	0.6
132.69643	0.4
146.31328	0.4
161.04552	1.1
179.10925	0.4
179.14415	0.8
191.43791	0.4
195.13931	7.6
196.14601	0.6
205.12285	0.6
211.13411	0.7
223.13408	5.4
224.13724	0.5
228.13655	0.9
235.08133	1.0
249.10985	0.5
253.09315	16.2
254.09669	0.5
256.13129	1.0
265.21909	0.6
275.20169	6.6
276.20474	0.5
277.21774	0.8
293.21255	100.0
294.21597	8.5
371.92542	0.4
379.88422	0.4
529.30035	1.0
569.42059	1.4
742.66003	0.4
805.40479	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00322	0.9
67.01891	0.4
69.03465	0.8
70.04253	1.6
71.01373	0.8
77.44692	0.4
85.02953	0.4
87.00835	0.5
92.99829	0.5
94.86320	0.3
95.01401	3.9
97.02949	0.5
103.20937	0.3
106.66028	0.4
107.01394	0.6
111.00893	0.5
114.88567	0.4
117.03471	1.0
121.02987	0.5
123.00877	3.7
125.02460	14.2
129.03447	0.4
133.02991	0.5
137.02457	1.1
139.00398	0.7
145.02971	3.2
147.00845	0.7
157.02959	1.0
159.04491	0.8
161.02469	1.3
163.00381	2.2
163.04065	1.2
164.98286	2.9
165.01974	2.2
166.99828	3.2
169.01440	15.2
169.62659	0.4
170.01762	0.9
171.00713	0.5
172.01674	0.4
173.02466	3.7
175.02547	0.8
175.04013	0.9
177.01949	0.9
185.02492	2.5
187.00287	0.6
187.04008	0.5
189.01942	2.6
190.02649	1.0
190.99881	1.0
191.03488	1.3
193.01389	1.2
199.03975	0.6
201.01900	4.2
202.99973	0.6
203.03629	1.8
205.01450	0.5
208.00214	0.4
209.00821	2.2
213.01978	1.5
215.03415	0.5
216.00591	1.1
217.01414	3.6
219.02998	0.6
221.00909	1.0
226.99884	1.1
227.03473	0.4
228.00558	0.6
229.01422	5.6
230.02100	1.1
231.03004	2.0
234.29086	0.4
242.99330	0.8
243.02953	0.8
244.00113	0.8
245.00967	7.2
247.02477	1.5
249.03981	0.6
257.00964	4.4
258.01581	1.1
259.02493	1.1
261.00443	0.4
269.00888	0.5
270.98926	2.2
271.02383	0.9
273.00415	9.0
274.01242	1.8
274.99191	0.8
275.02011	10.8
276.02368	0.9
281.34326	0.4
283.99673	2.5
285.00574	2.2
287.02045	1.5
297.00360	0.7
298.98358	3.0
299.01669	0.7
299.99115	15.5
300.99915	100.0
302.00262	7.2
312.99887	1.3
314.00702	1.3
315.01468	2.7
331.00989	0.6
331.06827	2.0
343.00946	3.6
353.04849	0.8
433.04077	0.6
443.02499	0.4
445.04163	7.3
446.04257	0.6
454.92218	0.4
461.03543	1.7
463.05203	37.1
464.05508	4.0
505.06418	0.6
551.07111	0.6
575.06805	0.8
613.04614	2.9
631.05634	3.0
632.06335	0.6
633.07306	2.2
671.05560	1.5
702.88239	0.4
745.10327	0.6
807.10016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25947	11.0
61.98834	100.0
69.74099	37.9
69.74512	19.1
76.34529	10.3
78.95918	32.5
79.95742	17.4
80.91686	24.3
80.96539	35.1
82.95435	72.3
96.96017	31.2
98.19886	13.1
98.95562	10.6
104.55888	9.5
117.59491	10.3
139.14890	10.3
147.94176	9.9
209.11871	50.0
227.13057	13.5
241.01350	13.3
273.17200	24.2
277.21719	76.4
278.22192	11.9
289.41077	11.2
293.21164	16.6
507.33340	11.6
560.49768	10.3
670.85345	11.2
805.39960	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	9.0
61.61863	4.9
61.98532	6.1
61.98839	73.5
63.99161	4.2
78.95895	9.6
79.95738	16.5
80.91706	36.2
80.96519	20.7
81.95306	7.6
82.95425	100.0
82.95991	5.5
82.96129	6.1
96.96019	18.5
98.95580	5.2
113.02455	5.1
127.39210	4.4
209.11937	7.2
249.11104	15.1
253.09363	6.4
273.17084	12.1
275.20227	7.1
277.21735	32.1
278.22168	6.1
293.21213	46.1
338.77930	5.2
805.39111	51.2
806.39758	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	805.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	6.0
61.98545	4.2
61.98837	58.6
71.01369	9.2
71.56627	6.0
78.95905	11.8
80.96513	21.0
82.96093	4.2
84.34814	4.4
96.96018	10.5
96.96687	4.1
115.65550	4.2
147.71719	3.9
201.35518	4.1
209.11839	100.0
210.12131	5.5
227.12869	19.1
248.24739	5.2
253.09215	10.3
277.19312	5.6
277.21808	63.7
278.22116	8.5
300.99857	8.2
391.58524	4.6
401.70480	4.4
414.33496	5.1
482.40765	4.7
560.76288	4.4
787.38666	5.0
805.39465	24.9
806.40259	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	805.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	15.9
61.98838	67.8
71.01418	14.2
71.56795	14.9
78.95898	17.6
80.96530	22.3
95.83380	10.3
96.96019	23.4
161.40289	10.6
179.88947	10.7
209.11858	86.5
211.13358	15.9
223.11662	12.2
227.12747	21.1
254.58093	11.6
270.98917	14.8
291.19687	100.0
300.99908	31.4
527.29114	13.9
737.41486	14.5
805.40167	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	805.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31566	0.7
59.01387	14.4
61.98824	1.4
62.29324	0.7
63.96088	0.8
69.39683	2.6
69.40113	3.5
71.01388	19.2
72.99307	2.0
73.02949	1.8
85.02954	2.2
87.00886	43.9
88.18326	0.7
96.96014	6.0
99.00896	2.9
110.06095	1.4
113.02444	0.9
113.47732	0.8
115.00387	51.5
116.00698	1.1
122.06139	3.8
123.00907	1.3
123.04536	1.1
125.02456	3.6
129.01923	1.0
134.06107	1.8
136.07700	1.1
150.03163	1.0
159.03033	1.8
169.01466	4.1
169.02654	0.8
174.05598	1.5
175.02496	77.7
176.02780	1.6
211.02467	0.9
213.10310	2.9
215.11902	1.1
239.11856	3.2
241.13469	4.5
262.11340	1.0
275.02023	0.9
276.08984	4.6
277.09802	2.9
278.10602	0.9
281.09335	1.0
285.09613	0.8
285.12491	9.7
289.09534	0.9
290.10648	1.2
291.11441	11.5
292.11813	1.5
293.12830	1.4
300.99857	4.0
301.11758	1.0
302.00241	1.1
343.12958	1.1
356.13971	2.1
370.15723	3.9
371.16180	1.6
372.17386	1.6
383.12564	3.0
383.83585	0.9
384.13348	3.1
384.17407	2.0
396.12735	0.9
398.15118	14.6
399.15503	2.1
412.16718	9.7
413.17432	21.8
414.17929	4.2
416.16119	1.1
445.16205	2.6
456.15698	1.5
457.16498	10.0
458.16837	1.5
535.23682	1.4
541.72845	0.9
553.24567	13.6
554.24945	3.4
585.27258	4.7
597.23663	29.6
598.23828	5.2
629.26196	100.0
630.26538	21.9
770.35260	0.9
805.26843	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73590	0.8
59.01384	13.4
59.40027	0.9
61.98840	1.5
61.99741	0.9
65.26430	0.8
67.01911	1.3
70.71545	2.0
71.01387	17.4
72.01678	1.0
72.99319	2.5
73.02962	1.7
76.24820	0.8
78.95908	1.6
85.02964	2.0
87.00885	44.2
96.96044	4.7
99.00892	1.1
101.02465	1.2
109.02967	1.9
110.06126	1.3
115.00385	59.0
121.02972	1.1
122.06128	4.8
123.00897	2.1
123.04584	1.5
125.02459	4.1
127.00412	1.0
134.06139	1.9
137.02449	11.0
144.04584	1.3
150.03023	1.0
151.00417	2.2
151.04036	1.1
161.02541	1.1
165.01945	68.2
166.02657	5.8
169.01447	4.2
174.05649	1.6
175.02502	75.7
176.02910	2.0
177.01772	1.0
179.03543	8.4
180.04309	39.9
181.05037	7.2
194.05806	1.7
195.06654	55.1
196.06975	2.1
203.03444	0.9
205.05164	1.2
210.05371	10.1
211.05922	1.0
213.10378	2.7
225.07701	81.1
226.08052	4.0
239.11969	2.5
241.13521	3.0
249.10471	1.1
251.11943	1.0
254.55316	0.9
263.08209	1.3
263.12036	1.0
276.09140	4.8
277.09814	3.0
285.12509	8.0
286.12491	1.1
289.10022	1.0
291.11389	10.3
292.11920	2.6
293.12973	1.8
300.99854	3.1
355.13184	1.1
356.14114	2.4
370.15652	5.0
372.17123	2.4
383.12567	1.5
384.13467	2.4
384.17657	1.7
385.17651	1.8
387.10962	2.9
396.13467	1.1
397.14713	1.4
398.15094	15.5
399.15323	1.9
402.13467	1.8
412.16763	10.3
413.17487	18.7
414.17883	4.0
417.15582	9.1
430.33322	1.0
445.16495	2.7
457.16385	10.9
458.16614	1.2
494.22183	1.0
516.13696	1.0
535.23370	2.0
553.24634	15.2
554.24811	3.1
585.27161	5.4
586.28381	1.1
595.22009	2.2
597.23584	25.4
598.23932	4.9
629.26196	100.0
630.26422	21.7
643.23706	4.6
749.54993	1.0
789.22577	1.3
805.26288	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	805.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.8
61.98833	1.7
68.07559	0.8
70.31235	2.8
71.01389	17.7
72.99327	2.0
73.02950	1.3
74.08092	0.8
78.35846	0.8
78.95927	0.8
85.02968	1.5
86.69849	0.9
87.00884	36.6
96.96013	4.8
99.00898	2.8
101.45448	0.9
103.00388	0.8
108.02181	0.8
110.06120	1.4
113.02445	1.0
115.00381	44.7
116.00740	1.3
120.04559	0.9
122.06138	4.5
123.04524	1.6
125.02438	1.9
134.06137	1.9
150.03178	0.8
159.03021	1.8
160.04030	1.2
165.01895	1.0
169.01454	3.4
174.05582	0.8
175.02490	71.2
176.02890	1.6
182.28708	0.8
203.05783	1.0
213.10324	3.5
239.11870	2.6
241.13419	2.5
249.10480	0.9
263.11890	1.2
275.07996	1.1
276.09082	4.5
277.09814	2.5
285.03992	1.0
285.12430	8.8
291.11392	11.1
292.11853	2.6
293.13174	0.9
300.99963	3.5
302.00317	1.4
337.71066	0.9
341.11569	1.0
356.13962	2.0
370.15659	4.1
371.16299	1.1
372.17200	2.2
382.11661	1.2
383.12695	1.9
384.13382	2.3
384.17520	1.7
386.18445	1.2
397.13852	1.3
398.15051	11.9
399.15466	1.6
412.16708	9.2
413.17447	19.4
414.18079	4.2
416.16107	1.4
445.16412	2.6
457.16391	8.1
458.16708	1.5
523.23938	0.9
535.23724	2.0
553.24646	14.7
554.24615	2.5
585.27112	4.0
586.27405	1.5
597.23590	25.2
598.23877	5.1
629.26196	100.0
630.26422	22.2
788.69348	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
78.95923	0.3
79.95765	0.3
80.96514	1.2
98.20656	0.5
104.45485	0.2
164.98737	0.2
389.42108	0.2
448.77502	0.2
471.35114	0.3
781.70465	0.2
804.40540	0.4
805.41156	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	805.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
67.01878	0.8
69.26230	0.8
69.26563	4.2
70.61096	0.5
71.01380	1.1
73.02959	0.5
79.15282	0.4
83.01365	0.4
87.00912	2.1
87.60338	0.4
96.95963	0.5
109.02966	2.0
111.00901	0.5
113.45371	0.4
115.00393	2.1
123.00906	1.2
125.02412	1.3
135.04500	0.5
136.01666	0.5
137.02464	17.5
139.04074	0.6
149.02452	0.8
150.03177	0.6
151.00388	5.6
151.04022	0.9
152.01204	0.6
163.04015	0.9
164.01096	1.0
165.01949	95.2
166.02728	18.2
167.03438	1.1
169.01398	0.5
174.01717	0.5
175.02480	3.0
175.03989	1.1
177.01955	1.3
177.05519	0.5
178.02779	0.4
179.03520	14.7
179.07239	0.4
180.04305	62.2
181.05069	19.0
182.05397	0.8
191.03542	0.8
194.05855	2.8
195.03050	3.7
195.06644	84.9
196.06958	5.0
197.23524	0.4
204.04309	0.4
205.05058	1.3
207.06702	0.5
210.05365	13.7
211.05814	0.8
220.07391	0.6
225.07712	100.0
226.08052	6.2
227.57796	0.4
275.10455	0.8
285.04092	1.8
285.12616	0.7
286.04276	0.4
291.11340	0.8
301.00113	0.9
359.11401	0.6
370.10004	0.5
372.12054	1.1
387.09961	2.0
387.14905	5.6
388.15152	0.8
398.15182	0.8
402.13321	1.2
413.17526	1.3
417.09079	0.8
417.15588	24.7
418.16006	2.7
553.24829	1.1
595.22083	4.2
596.21881	0.7
597.23462	1.8
598.24194	0.5
613.22845	1.0
628.50690	0.5
629.26282	6.2
630.26636	1.5
643.13873	0.9
643.24036	12.6
644.24243	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	803.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	1.2
59.01396	6.8
61.98834	12.0
65.88953	0.9
69.73791	1.3
69.74203	3.4
71.01390	4.7
73.02930	1.4
74.88326	0.7
78.95900	0.9
80.14977	0.7
80.96516	1.9
85.02976	0.9
87.00898	1.0
87.81860	0.8
89.02437	2.2
101.02456	3.1
108.32149	0.7
109.06575	1.3
111.08183	9.1
113.02438	1.7
113.09753	1.0
137.09773	1.3
161.04575	2.3
167.10805	1.6
177.12868	2.2
179.10846	1.5
188.50175	0.8
195.13911	12.7
205.12312	1.2
207.10324	0.9
211.13383	1.5
220.71860	0.8
223.13368	5.3
225.21735	1.1
228.13689	1.2
235.08211	4.1
247.09479	1.7
247.20686	1.5
253.09323	15.1
254.09567	0.8
256.13095	1.1
273.18622	1.9
275.20224	4.7
277.21710	1.6
291.19693	100.0
292.20050	9.2
293.21259	78.5
293.23874	1.1
294.21573	6.9
382.37689	0.9
527.28644	10.3
528.28973	1.7
529.30542	1.2
567.39655	1.0
695.08002	1.0
803.39984	1.1
804.42035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
61.98838	100.0
71.01383	3.8
71.57417	1.4
79.95744	30.0
80.96526	46.4
81.29892	1.1
95.95223	2.7
96.96023	37.2
109.06579	2.4
143.13567	1.3
155.91548	1.5
163.11275	3.3
164.42944	1.2
165.12961	1.0
187.91396	1.2
207.10216	4.5
209.11877	16.4
210.12169	2.0
211.13394	1.7
225.11354	2.5
227.12891	2.4
228.75421	1.3
253.09393	1.5
277.21759	16.4
278.22079	3.6
332.86478	1.1
395.21915	1.2
463.44720	1.4
594.87408	1.4
785.38538	2.0
803.39038	63.7
804.39288	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	803.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
71.56462	3.7
78.95921	3.0
80.96514	5.9
96.96029	4.7
100.87035	3.0
105.42187	2.7
140.98570	3.1
149.51074	2.8
185.97173	2.8
264.78018	3.1
325.18628	3.9
543.50171	3.1
630.05200	3.2
767.71417	3.5
803.42188	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	803.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.2
61.98836	36.0
66.70657	4.0
69.39027	24.9
71.01384	4.3
78.95923	3.3
80.47396	3.1
80.91702	4.7
80.96503	6.5
93.43401	2.9
96.96001	5.5
101.02483	4.8
111.08178	5.8
195.13893	11.1
223.13365	4.9
239.15596	3.0
247.09482	6.7
253.09216	20.3
275.20178	7.2
277.21613	6.0
291.19675	100.0
292.19958	8.0
293.21252	79.8
294.21710	5.9
315.88251	3.4
803.41675	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	803.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98840	1.3
71.01389	0.3
71.57286	0.1
78.95913	4.8
79.95753	3.6
82.95479	0.1
83.01384	0.1
85.02979	0.1
94.37095	0.1
96.96024	100.0
96.96918	6.0
97.95961	0.2
106.66165	0.1
107.01453	0.1
108.17523	0.1
113.02412	0.2
115.00331	0.1
116.92901	0.1
119.05038	0.2
121.03034	0.1
123.00914	0.2
125.02485	0.6
150.06879	0.1
161.85751	0.1
163.03955	0.1
166.99803	0.1
169.01442	1.0
170.01793	0.1
175.02446	0.1
179.10878	0.2
209.11906	0.3
211.13437	0.4
253.09071	0.2
269.52161	0.1
273.00330	0.1
275.02014	0.1
285.03903	0.1
300.99838	0.7
313.05789	0.2
397.13611	0.1
470.81137	0.1
641.42615	0.3
803.41241	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54871	0.5
65.00327	0.6
66.06015	0.6
69.33339	3.7
69.33755	1.5
83.01411	0.6
98.20604	1.3
107.01381	1.3
109.79167	0.5
117.03495	1.6
125.02476	1.1
143.14629	0.6
149.02394	1.1
149.99582	0.7
151.00366	2.6
153.33009	0.6
169.01419	1.4
171.04530	0.6
172.05281	0.6
194.17250	0.5
211.03954	1.2
225.05746	0.9
239.03514	1.9
240.04266	2.2
267.02979	1.2
268.03784	83.2
269.04553	100.0
270.04868	9.0
282.05325	0.9
285.03940	0.6
299.99057	0.9
300.99860	1.9
311.05710	1.9
372.95972	0.5
431.09842	77.5
432.10153	8.4
447.56213	0.6
503.38086	0.6
544.01746	0.6
764.65460	0.6
803.23077	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	6.7
65.04823	0.6
67.97111	0.6
71.01395	5.1
71.56615	1.0
73.02937	1.4
79.01900	0.9
83.01409	0.7
85.02956	2.0
87.00887	1.3
89.02480	0.8
95.01387	2.2
96.96014	4.1
97.02946	0.7
99.00884	0.7
101.02457	3.4
107.01395	2.9
111.00873	2.3
113.02471	1.3
119.03506	0.7
119.05029	0.8
123.00911	8.6
123.04508	0.9
125.02457	15.7
126.02836	0.7
127.00381	0.9
136.98801	1.8
139.00362	3.7
140.01109	3.3
140.79118	0.7
141.01964	1.1
145.02948	1.0
151.00395	6.8
153.01993	0.9
159.04485	0.8
161.02469	2.4
163.11429	0.7
167.03685	0.9
168.00595	4.3
169.01445	21.9
170.01813	1.6
175.03975	1.1
177.01976	2.1
188.83488	0.6
189.01962	2.2
191.03407	0.7
207.10233	0.9
217.01430	2.8
229.01489	0.7
231.02945	0.9
233.00970	4.6
245.00961	1.3
247.02454	2.6
257.00854	1.2
261.00372	1.4
271.04587	0.9
273.00430	2.0
274.00790	1.0
275.01819	2.0
276.34467	0.6
291.01559	0.7
299.99133	1.5
300.99890	6.7
302.00186	1.7
304.99374	2.2
305.07077	2.6
305.15292	0.6
313.05612	2.5
356.12723	1.0
371.15073	1.3
387.16666	9.9
388.17279	0.8
415.12482	100.0
416.12845	9.5
419.17142	2.1
457.06976	0.8
599.06110	0.7
615.05646	1.4
617.80542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	0.3
61.98839	100.0
70.38888	0.1
70.70405	0.2
70.70761	0.2
80.96530	0.3
102.86063	0.1
153.91873	0.1
211.13455	1.2
212.13763	0.8
213.14124	0.3
219.33705	0.1
277.21725	0.7
278.22037	0.8
279.23038	0.5
286.86996	0.1
355.38931	0.1
500.46884	0.1
574.53772	0.2
802.53143	0.2
803.43347	0.4
834.75024	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00332	0.6
67.44848	0.6
71.57653	1.1
78.09558	0.5
82.08439	0.5
97.00984	0.5
104.00667	0.5
107.01389	1.6
132.09651	0.6
133.02974	4.5
149.02467	1.4
151.00409	3.1
158.56357	0.6
169.01465	1.0
175.03990	2.6
179.10776	1.3
181.30644	0.5
199.04033	1.8
201.02046	0.9
206.26065	0.6
217.05086	1.3
223.09718	1.6
223.20772	0.6
239.57823	0.6
243.03050	0.7
256.03784	1.3
284.03262	1.6
285.04080	100.0
286.04416	8.9
385.15060	0.8
417.08276	49.6
418.08838	4.8
735.87970	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
59.94179	0.2
61.98838	100.0
71.01373	0.3
71.57503	0.2
76.96601	0.3
78.95923	0.3
80.96529	0.5
96.96037	0.6
115.05852	0.3
123.85638	0.3
125.02488	0.4
133.03654	0.2
209.11774	0.3
211.13451	0.4
212.82834	0.3
300.87622	0.3
300.99930	0.7
302.00327	0.4
370.08731	0.3
376.43188	0.3
395.11548	0.3
574.48383	0.3
732.75983	0.3
771.76917	0.3
802.49084	0.7
803.39832	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.2
61.98837	100.0
69.27998	2.5
80.96522	0.5
96.96040	0.6
104.60052	0.2
108.52359	0.3
125.02466	0.3
164.79445	0.2
169.01430	0.4
181.12201	0.2
209.11900	0.6
211.13387	0.7
215.91904	0.3
253.35245	0.2
277.21518	0.3
293.21103	0.4
295.22861	0.4
301.00089	0.8
577.97198	0.3
734.10699	0.3
772.05212	0.3
802.49542	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.9
59.01383	0.8
65.03966	0.8
69.58219	0.9
69.58633	3.2
70.08130	0.5
79.95751	0.8
83.05022	2.7
87.00890	2.9
96.96021	38.9
111.04506	0.9
111.08157	0.6
119.08686	0.5
121.06582	1.6
123.08167	7.1
125.02439	1.3
133.02879	0.7
137.09737	1.0
139.07619	1.0
145.02930	1.4
145.10251	0.8
147.04535	0.5
149.02357	0.6
151.07710	1.0
153.09196	0.8
161.02472	1.0
169.01404	1.3
169.10153	1.0
171.11818	8.7
172.12137	0.5
173.02470	1.1
185.02423	0.8
189.01938	1.0
189.12865	2.7
191.03549	0.9
201.01990	0.9
201.12923	3.9
203.03555	0.9
207.13919	2.0
217.01361	1.9
218.01933	0.8
219.13870	1.3
229.01390	2.2
237.14967	11.2
238.15286	0.6
245.00958	2.9
246.01218	1.4
247.02516	3.5
248.02802	1.1
257.00854	0.8
258.01736	0.6
273.00482	4.6
274.00806	2.5
275.01944	3.4
276.02200	1.1
277.02518	0.7
281.13968	15.8
282.14316	1.1
283.99783	0.6
285.00214	0.6
291.01669	1.0
298.98425	1.6
299.99030	2.0
300.99911	23.1
302.00223	14.0
303.00430	11.7
304.00818	0.9
319.07404	0.7
361.09650	100.0
362.09985	9.4
480.05081	1.4
481.05334	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	801.0799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01902	2.7
68.39970	1.8
69.41489	9.8
69.41898	4.2
74.18550	1.6
88.25234	2.8
95.01413	16.0
101.44180	1.5
107.01402	6.6
111.00936	1.7
117.03471	4.7
119.05041	2.3
123.00907	25.6
124.01668	2.2
125.02458	29.7
126.03000	1.8
133.02960	7.3
137.02426	2.4
139.00450	2.4
141.01988	2.1
145.02966	12.2
147.04539	5.2
157.02940	4.5
157.26239	2.2
159.00815	2.1
161.02475	11.7
163.00377	3.6
163.04021	6.8
166.99825	12.3
169.01427	29.5
171.00874	4.2
172.01614	4.4
173.02464	15.7
174.03033	2.2
175.04024	5.7
177.01930	2.6
179.03554	3.6
185.02541	2.9
189.01968	15.0
189.49663	1.9
190.02684	3.1
191.03557	13.2
193.01501	2.5
197.02316	1.9
199.00383	5.3
200.01205	3.2
201.01978	21.4
202.02441	3.7
203.03526	5.4
211.02504	3.8
216.00638	3.9
217.01443	30.1
218.02113	2.2
219.03024	6.1
226.99901	4.3
228.00612	3.8
229.01459	23.8
230.01811	2.5
231.03029	6.1
242.99371	4.7
243.03114	2.2
244.00111	2.5
245.00911	40.6
246.01413	5.3
247.02425	14.7
254.99292	3.2
255.02994	2.4
257.00897	9.3
259.02533	3.6
261.00470	6.0
263.01965	2.6
267.03036	3.7
270.98923	7.2
271.99533	4.5
273.00433	70.0
274.01010	11.2
275.01947	18.7
276.02670	2.5
283.02222	2.3
287.01993	2.3
288.99890	3.3
291.01361	3.5
298.98444	11.7
299.99081	18.6
300.99921	100.0
302.00241	9.7
313.05865	2.1
314.00620	3.0
315.01456	3.4
316.99387	10.7
343.01059	3.8
463.04959	4.0
465.06778	4.7
551.05432	2.0
553.05902	2.0
585.05530	3.8
595.03613	11.3
597.05212	59.9
598.05615	9.7
613.05054	12.7
615.06238	30.3
616.06537	6.4
631.05518	2.4
711.08527	5.9
721.07770	2.4
755.07770	5.1
765.05994	21.2
783.06580	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	800.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.2
61.98838	100.0
71.01413	0.3
78.95935	0.3
79.95746	0.2
85.02974	0.2
93.21434	0.2
96.96011	1.1
98.20760	0.3
100.10284	0.2
101.02348	0.2
121.52916	0.2
125.02451	0.5
134.75818	0.2
135.04472	0.2
163.04121	0.3
169.01482	0.5
175.04227	0.2
178.65591	0.2
179.03581	0.2
201.01793	0.3
204.43546	0.2
229.01585	0.3
245.00896	0.4
247.02484	0.2
273.00519	0.3
275.02081	0.2
296.59824	0.2
299.99020	0.2
300.99899	2.3
302.00275	1.4
479.04797	0.2
800.39203	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.286
Annotation	Unknow
Peak:m/z	Relative Intensity
58.61634	0.2
60.28077	0.2
70.25114	0.2
72.62866	0.2
79.95725	1.9
79.96136	0.2
95.95249	0.2
96.96021	95.1
97.95959	0.3
98.20655	0.6
98.95634	0.3
99.50694	0.2
124.84161	0.2
125.02476	0.3
145.25151	0.2
157.78802	0.2
163.00406	0.2
163.03981	0.2
169.01480	0.3
172.55101	0.2
175.04024	0.2
181.12349	0.3
182.04599	0.2
191.03555	0.2
202.67278	0.2
229.01308	0.3
245.00917	0.4
246.00700	0.2
247.02525	0.2
259.02536	0.2
259.06314	0.2
261.08023	100.0
262.08350	5.5
273.00458	0.5
275.01978	0.8
291.00983	0.2
298.98419	0.4
299.99103	0.2
300.99911	5.2
302.00214	0.3
373.08334	0.2
396.38522	0.2
479.04935	0.4
537.19470	0.3
563.73328	0.2
719.70825	0.2
725.05542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05937	0.2
59.01386	16.5
59.76098	0.3
62.39637	0.3
71.01396	2.2
71.19510	0.7
71.61299	0.3
71.97356	0.3
72.99356	0.3
73.02966	0.3
74.65977	0.3
75.07679	0.3
80.96520	0.7
83.01437	0.3
83.05015	0.3
85.02959	0.5
87.00827	0.4
89.02443	1.5
101.02458	1.6
113.02477	0.9
119.03493	0.3
134.62787	0.3
161.04616	0.8
167.14410	0.5
179.05597	0.6
183.13943	5.4
193.12325	1.8
211.13417	100.0
212.13768	6.2
235.08260	1.8
244.67171	0.3
250.04327	0.3
253.09332	5.9
254.09756	0.4
277.21744	53.6
278.22113	4.6
300.99872	1.2
429.21405	1.4
447.22372	8.3
448.22617	0.9
492.38351	0.3
513.30762	0.9
707.43768	0.6
709.38470	0.4
781.39539	0.3
799.41260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.0642
Annotation	Unknow
Peak:m/z	Relative Intensity
60.23545	0.4
69.52373	2.3
95.01427	0.5
98.19839	0.3
116.66937	0.3
117.03491	1.2
119.05009	0.9
121.02996	0.5
123.00889	0.3
125.02433	0.4
129.03487	0.7
133.02928	1.0
135.57321	0.3
137.02448	0.4
143.84325	0.4
144.23137	0.5
145.02956	5.1
147.04507	1.9
157.02939	1.1
159.04552	0.5
161.02469	2.4
162.03224	0.4
163.00362	0.5
163.04012	1.7
167.97873	0.4
171.00865	0.6
173.02435	4.6
175.04002	1.6
177.01953	0.9
185.02463	3.9
187.04097	0.5
189.01918	3.2
190.02626	1.2
191.03526	3.4
199.00369	0.4
200.01108	0.5
201.01942	5.2
203.03491	2.5
205.01552	0.5
213.02017	0.5
214.99899	0.9
215.03484	0.5
216.00587	0.8
217.01398	5.2
218.02068	0.8
219.03032	1.8
226.99867	1.3
228.00732	0.5
229.01427	7.9
230.02020	0.7
231.02969	1.6
242.99373	1.4
243.02907	0.8
244.00067	1.1
245.00920	9.5
246.01450	1.0
247.02451	6.0
248.02951	0.4
249.04114	0.9
254.99321	0.5
257.00919	3.3
258.01688	1.3
259.02179	0.5
261.00351	0.7
269.00931	0.5
270.98880	4.8
271.01883	0.5
273.00446	12.2
274.00925	1.6
274.99179	0.7
275.01996	8.6
276.02310	0.7
283.99643	3.0
285.00253	0.5
288.99957	0.4
291.01474	1.5
298.98450	5.8
299.01901	0.6
299.99112	4.9
300.99915	100.0
302.00256	8.0
302.03644	0.6
312.99921	0.5
315.01205	0.7
316.99356	1.3
340.99637	0.7
435.05255	0.8
451.05283	1.7
461.03549	1.5
479.04700	6.6
480.05093	0.5
677.07214	0.4
800.75696	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.2
57.60855	1.2
59.01386	22.7
59.96425	1.2
61.98806	1.7
67.32726	1.2
71.01385	5.6
73.02946	1.6
77.35686	1.1
78.95927	2.1
80.02663	1.4
81.03479	2.4
82.63174	1.2
83.05030	8.5
85.02964	7.8
89.02470	3.1
95.81229	1.2
97.02986	1.3
99.00922	1.4
101.02467	4.5
109.06606	3.6
113.02458	3.0
119.03482	1.3
121.34137	1.3
136.30054	1.2
141.57253	1.3
161.04585	1.4
170.45338	1.4
171.10278	4.3
177.12865	8.3
193.12357	1.8
195.13922	3.6
203.10875	2.0
209.11797	2.2
221.11845	92.1
222.12154	5.1
235.08275	3.9
239.12886	40.2
240.13200	3.1
253.09341	12.5
255.23363	1.4
277.21741	100.0
278.22089	7.3
455.35672	1.6
457.20792	5.2
475.21866	9.8
730.84314	1.5
735.43439	14.1
736.43793	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	795.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.6
60.99314	17.1
61.98839	1.9
63.99797	0.3
70.85413	0.6
71.01396	0.8
83.01427	0.4
85.05989	0.3
87.00901	0.4
88.00385	0.7
88.98814	100.0
89.02456	2.5
89.99167	1.0
93.03464	0.3
96.96007	2.3
97.02943	0.3
101.02419	0.4
113.02455	0.4
125.02469	2.3
138.01993	0.5
149.33215	0.3
150.03256	0.6
156.51393	0.3
165.05557	0.4
169.01443	4.2
170.01790	0.4
179.10678	0.4
195.06541	0.4
209.11841	2.1
254.81227	0.3
300.99841	1.5
447.84805	0.3
795.37097	0.5
796.36902	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56890	0.2
71.57285	0.4
78.21944	0.2
88.25807	0.2
96.14526	0.2
96.96021	0.5
117.03419	0.3
125.02440	0.5
129.03488	0.4
133.02948	0.4
135.04510	0.3
145.02975	1.1
147.04570	0.3
151.00374	0.2
157.02977	0.4
161.02458	0.6
163.04048	0.3
169.01428	0.5
173.02422	1.2
185.02502	2.3
189.01912	0.4
201.01967	1.9
217.01454	0.5
226.99976	0.4
229.01407	3.1
229.05086	0.3
230.01776	0.3
245.00967	1.2
246.01367	0.3
247.02449	0.3
257.01001	1.5
273.00418	0.4
283.99664	2.5
285.00183	0.3
299.99121	2.4
300.99911	100.0
301.96933	0.4
302.00256	7.4
313.50351	0.2
343.52115	0.2
464.55814	0.2
493.10187	0.4
493.16852	0.3
534.83411	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
61.98829	1.4
68.27270	0.3
71.01367	0.5
73.02955	7.4
78.95899	0.4
87.00864	0.4
89.12280	0.4
90.61895	0.4
96.96024	1.6
98.91090	0.4
99.00892	1.7
99.92588	10.3
100.92601	0.6
116.92873	100.0
116.97262	33.6
117.01948	14.3
117.92878	5.5
117.97597	0.7
144.09180	0.5
173.59091	0.4
213.14838	0.5
218.04514	0.4
247.07304	0.4
277.21698	0.6
293.21161	0.8
301.00003	0.8
335.17599	3.5
336.17902	0.5
338.64630	0.5
397.13574	0.5
473.10532	0.8
673.31348	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43341	14.4
66.63414	14.5
70.02315	74.0
70.11398	13.5
73.72215	12.1
98.19933	27.7
133.39198	12.9
164.20972	14.4
209.11868	99.9
227.12981	25.2
253.09380	18.6
277.21750	100.0
278.22095	18.5
674.30505	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	792.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.1
61.98834	2.3
70.08578	2.0
70.08991	1.5
70.14410	0.6
72.41197	0.6
91.64697	0.6
96.96019	2.1
97.06612	0.8
98.20558	1.0
99.41969	0.6
116.97232	0.8
125.02479	1.5
140.52248	0.8
169.01312	0.7
177.43396	0.6
197.11862	0.7
209.11893	3.6
210.12061	1.4
211.13359	1.1
253.09154	1.1
300.99918	1.4
309.20856	1.5
310.21207	0.8
381.10178	0.7
389.28458	1.7
406.28754	1.9
421.31149	1.4
423.32660	5.2
424.32837	0.7
428.01038	0.7
469.33237	39.9
470.33649	6.7
487.34311	100.0
488.34708	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	791.4356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32785	26.0
61.98831	100.0
84.83973	23.8
111.60163	27.9
126.49104	29.3
211.13362	76.1
277.21762	87.6
293.21274	50.5
368.02173	26.6
374.75165	29.8
763.26862	34.7
764.33319	33.5
791.41870	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	791.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.0
61.98840	30.9
71.56801	5.9
78.95922	7.7
81.44010	5.7
83.05035	6.5
84.95168	6.2
96.96023	34.8
98.95577	7.6
99.92603	13.8
107.00060	5.7
116.92873	100.0
121.26810	5.3
125.02469	6.8
136.88219	5.4
141.94148	5.5
169.01471	6.9
171.10228	21.4
209.11845	84.9
211.13420	36.9
227.12926	32.9
249.85225	6.5
253.09264	15.2
291.19717	67.1
300.99771	9.6
445.21185	6.9
463.21759	9.0
527.28491	7.3
529.51971	6.2
791.39667	29.8
792.40356	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	791.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.6
61.98829	12.3
64.77351	2.9
67.29778	2.8
70.54710	3.3
70.86565	5.8
70.86911	6.9
71.01385	7.6
83.05013	3.4
96.96014	10.4
116.92824	10.3
197.11873	29.9
199.13396	4.1
209.11864	100.0
210.12184	7.4
211.13382	10.2
227.12915	24.7
253.09428	23.5
291.19699	16.8
300.99747	5.7
309.20770	62.1
310.20905	7.4
388.29474	3.9
445.20740	4.7
487.34424	9.1
526.25476	4.5
545.29285	5.4
703.11523	3.4
775.69904	3.6
791.39746	39.1
792.39856	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	789.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45444	3.6
58.97012	3.5
61.98539	7.4
61.98836	100.0
63.99249	5.1
68.56565	3.5
70.03428	15.4
71.01385	3.7
74.70609	3.9
78.95890	6.5
80.96518	21.2
82.98418	3.7
83.83334	3.5
85.12331	3.9
94.98100	7.4
136.70958	3.7
151.71713	3.6
152.98512	3.7
164.98643	4.0
171.10310	5.3
207.10237	7.0
211.13380	6.2
225.00816	7.5
277.21701	9.2
280.23532	6.8
366.78687	4.3
721.41986	5.4
789.39990	31.6
790.41089	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	791.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.50322	7.1
59.01405	7.5
59.47800	6.8
61.98830	58.0
71.01424	12.2
72.95790	9.5
75.00872	7.5
76.80354	9.5
93.09462	8.3
96.96048	34.7
98.95594	8.7
116.92894	58.6
117.92911	9.4
118.00851	6.8
125.23139	7.0
126.59753	7.7
159.28473	7.7
169.01428	8.2
192.20956	7.1
197.11856	19.5
209.11838	100.0
211.13451	18.1
222.15872	6.2
227.12927	21.3
253.09293	30.5
291.19632	13.5
300.99911	17.8
309.20770	81.9
310.21088	11.3
372.52097	8.0
593.66571	7.9
791.39935	43.2
792.40503	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	789.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	9.1
61.98834	46.3
68.66107	4.8
68.99577	90.3
71.01377	12.2
78.95911	4.2
84.16871	4.3
86.01633	5.0
94.39562	4.2
96.96006	18.3
101.02448	6.1
109.06593	8.7
110.89905	4.6
112.89626	10.8
112.97837	8.5
112.98577	100.0
113.02451	17.9
163.11349	5.6
197.11861	15.4
207.10291	35.8
209.11833	20.3
211.13321	10.9
225.11314	16.7
227.12827	9.8
235.08211	6.7
253.09395	20.6
291.19656	9.1
307.19028	11.1
309.20715	36.5
310.21420	5.0
362.10132	5.4
461.19928	11.5
517.74359	4.4
545.29443	5.6
753.40662	31.1
754.40900	9.1
789.38092	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	789.384
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11568	3.8
58.63286	3.2
61.98841	100.0
69.49056	24.2
71.01393	6.2
95.77396	3.2
96.96035	4.9
98.19983	7.1
98.31761	3.2
99.77594	3.6
108.02110	3.3
116.97283	3.7
119.05605	3.5
120.40270	3.1
209.11862	48.3
209.92068	3.6
210.12167	5.5
211.13297	4.4
221.60010	4.4
225.11288	7.3
227.12973	16.8
239.58047	3.3
242.64513	3.8
249.49318	3.4
250.63521	3.5
291.19785	5.0
300.99902	4.4
307.19171	28.0
523.38617	3.9
543.28070	11.1
789.38885	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	788.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.85508	0.1
62.98569	0.2
64.97884	0.2
80.96516	0.7
94.98077	0.2
98.20605	0.3
102.62254	0.1
110.18526	0.1
148.26143	0.1
229.40811	0.2
349.27570	0.3
446.29672	0.2
455.35715	0.2
456.35693	0.3
788.50983	0.2
789.40454	0.9
795.81677	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	37.3
71.01391	7.8
79.13941	0.7
85.02972	1.8
89.02467	8.0
95.01396	0.9
96.96021	4.1
98.20659	1.9
101.02480	6.4
110.28098	0.7
113.02475	3.7
119.03542	2.9
125.02460	5.1
163.11325	4.2
169.01462	5.3
170.01814	1.6
171.02016	0.8
175.02432	0.8
207.10257	7.0
225.11372	1.2
229.07982	0.8
245.00989	0.9
247.02419	2.9
275.02002	0.9
291.01352	1.2
300.99902	4.4
305.06970	5.4
337.89288	0.8
387.16629	100.0
388.17007	10.1
469.94165	0.9
473.16534	0.8
619.08521	3.2
789.10913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.5373
Annotation	Unknow
Peak:m/z	Relative Intensity
56.79173	0.6
59.01373	1.7
60.99304	0.6
61.98533	1.2
61.98834	15.0
71.01369	1.6
71.05033	0.7
71.56456	1.0
77.53540	0.7
78.95921	2.7
78.98570	1.0
79.95751	3.4
80.96523	13.4
81.36503	0.6
94.98093	2.6
96.96012	0.9
97.06602	5.4
101.02485	0.7
105.37984	0.7
106.98075	0.9
122.97656	0.8
125.02500	1.3
134.97610	0.7
137.09705	0.7
148.99081	0.7
152.98643	1.0
164.98619	1.5
168.04291	0.8
169.01456	0.9
209.11824	4.7
216.38153	0.7
225.00778	3.6
241.14510	0.8
265.38266	0.7
277.21652	1.6
278.22028	0.8
279.23340	14.7
389.28537	2.0
391.30154	2.7
405.31665	6.8
406.31866	0.9
407.33182	8.4
408.33493	0.8
423.29037	0.7
437.30704	1.1
439.32217	2.1
441.33749	10.8
442.34073	1.2
451.32202	33.5
452.32455	4.8
453.33762	100.0
454.34109	15.4
471.34708	2.8
485.36411	62.5
486.36682	12.1
497.32718	8.7
498.33316	1.7
651.75079	0.8
714.43616	9.3
787.38885	11.2
788.39740	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	787.4488
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.0
60.43587	0.4
61.98836	6.9
68.99563	0.7
69.03464	1.2
71.01392	4.0
71.57121	0.5
73.02941	1.2
78.95908	3.8
79.95741	2.7
80.02688	1.1
81.03468	1.4
83.01391	0.7
83.05032	5.5
84.02168	2.5
85.02949	2.1
87.00883	0.8
89.02460	3.2
95.01431	0.5
95.05015	0.9
96.96021	52.8
96.96921	4.2
97.02955	0.7
97.06593	4.8
98.95610	0.4
101.02449	3.9
112.98588	1.0
113.02462	1.5
116.92879	2.4
119.03494	0.9
123.30541	0.4
123.83060	0.4
125.02448	1.7
125.09704	1.2
129.01958	1.1
135.08136	0.8
137.09714	0.9
143.03477	0.7
151.11285	0.4
161.04530	2.4
163.04059	0.5
163.11290	3.8
163.69449	0.4
165.12834	2.5
169.01457	1.8
171.10277	8.5
179.05539	0.7
185.11900	0.4
191.10794	1.4
193.12354	6.6
209.11838	100.0
210.12175	7.3
211.13425	3.0
221.11690	0.5
223.09850	0.6
225.14993	9.0
226.15414	0.5
227.12914	10.0
227.15111	0.6
228.13120	0.7
235.08209	5.5
243.15997	4.2
253.06670	0.9
253.09300	14.1
253.14267	0.5
291.19714	0.9
300.99966	1.2
305.21274	0.5
309.20636	0.6
323.22330	1.3
327.21912	0.9
341.23340	60.4
342.23703	6.0
379.21280	0.4
416.54733	0.5
418.42795	0.5
445.20816	1.5
533.35028	1.9
534.35083	0.5
551.35895	0.6
577.32269	1.9
578.33154	0.6
617.08282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
62.72872	12.6
78.95898	36.9
80.25450	13.2
85.39748	12.7
96.95998	37.3
98.20635	39.3
114.55128	11.8
125.02467	17.4
133.76917	14.2
169.01408	17.3
223.13422	31.7
300.99933	17.0
309.20587	19.5
341.23590	16.8
434.27267	14.1
474.05560	13.9
787.40112	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	787.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98837	100.0
62.98536	0.8
62.99292	0.5
63.96236	1.1
63.99251	0.9
71.01389	4.6
71.13871	1.0
73.02973	0.9
78.79462	0.4
78.95920	0.5
78.98604	3.4
79.95742	8.3
80.96526	41.2
83.01418	0.5
85.02969	1.9
87.00886	1.8
94.98098	9.8
96.96024	1.0
97.02934	0.5
101.02466	1.6
106.98077	2.1
108.51543	0.4
122.97624	1.7
125.02443	2.0
126.22315	0.4
133.07883	0.5
134.97603	3.2
136.99173	0.8
148.99149	3.3
152.98610	3.1
164.98640	6.3
169.01366	0.7
206.99776	1.0
209.11819	1.9
225.00786	9.3
231.09969	0.6
277.21689	2.1
344.11484	0.5
344.50372	0.5
359.21841	0.5
378.55252	0.5
461.38617	0.5
509.17017	0.6
558.31311	0.5
559.25873	0.6
748.22595	0.5
780.49335	0.5
787.39423	40.4
788.39728	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	787.369
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	28.4
61.98842	91.9
62.32408	14.3
71.01392	15.1
84.97746	14.9
87.00865	17.5
96.96006	17.1
109.06636	19.9
113.55746	17.5
159.64619	16.1
163.11272	18.0
169.01453	39.5
185.11832	17.7
207.10274	100.0
209.11787	27.8
225.11324	63.1
253.09219	20.3
289.18054	40.3
300.99911	56.5
307.19223	47.1
308.19345	15.8
315.60464	17.6
461.20029	26.2
499.83255	16.9
733.38849	29.0
751.39264	70.1
787.37665	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	787.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19424	2.7
59.01376	8.7
61.98835	68.4
68.99569	5.0
71.01378	6.5
71.57384	3.5
78.95908	8.7
79.95763	7.0
80.96520	4.6
82.95434	16.8
83.05032	4.9
88.98755	2.9
89.02450	3.3
95.01392	3.4
96.96021	100.0
96.96979	6.0
97.06542	4.3
99.00887	3.7
107.01385	3.3
112.98583	7.4
115.00372	2.5
116.92885	4.7
122.10828	2.5
123.00882	6.6
125.02448	13.5
129.86940	2.4
161.04514	3.3
169.01410	20.6
171.10258	9.7
179.10725	3.1
197.11870	15.8
209.11836	28.2
211.13396	6.4
225.11366	3.2
227.12875	3.1
235.08170	3.2
253.09192	3.8
273.17166	15.4
285.03995	4.3
300.99869	13.9
334.32819	2.9
340.87433	3.1
617.07898	9.0
662.54541	3.2
787.41998	33.5
788.40894	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	786.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01346	0.3
61.98838	100.0
62.98530	0.4
63.99261	0.7
71.57041	0.3
73.01066	0.2
73.09649	0.2
78.95928	0.2
79.15244	0.2
79.95759	0.4
80.96527	1.6
93.52641	0.2
95.14632	0.3
116.92862	0.4
152.99710	0.3
197.11873	0.6
260.22592	0.3
277.21912	0.6
278.22180	0.6
301.00076	0.4
340.72504	0.3
696.31860	0.3
786.38922	0.6
787.39777	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.30346	0.1
61.98835	100.0
62.98545	0.2
62.99267	0.1
71.19784	0.1
78.95950	0.1
79.95748	0.1
80.96515	0.5
81.09110	0.1
94.34936	0.1
94.98119	0.1
132.95029	0.1
144.45183	0.1
164.98639	0.1
209.11826	0.3
210.12164	0.2
211.12328	0.1
225.00879	0.1
277.21848	0.1
278.22256	0.1
279.22952	0.1
443.14020	0.1
471.10342	0.1
530.47461	0.1
786.49725	0.1
787.39233	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
62.98532	0.1
69.78680	0.2
69.79090	0.5
70.46091	0.1
73.49883	0.1
73.50296	0.1
79.82665	0.1
79.95749	0.1
80.96523	0.6
95.61982	0.1
98.21078	0.1
116.36643	0.1
164.98750	0.1
167.68958	0.1
168.62939	0.1
173.31807	0.1
209.11955	0.3
254.27692	0.1
277.21844	0.1
278.22128	0.3
305.51389	0.1
420.43066	0.1
454.95703	0.1
460.41010	0.1
749.52948	0.1
771.22137	0.1
781.26935	0.1
787.38837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.1006
Annotation	1,2,3,4-Tetragalloyl-alpha-D-glucose
Peak:m/z	Relative Intensity
56.74909	0.5
58.13691	0.5
59.01382	0.7
67.01897	1.4
68.99815	0.8
69.03440	1.5
69.49215	4.5
71.01398	2.5
79.01894	0.9
81.03471	0.9
85.02949	1.6
93.03459	0.6
95.01388	4.4
97.02975	2.2
98.19839	1.0
107.01401	7.7
111.00909	2.1
113.02452	1.4
123.00900	13.3
124.01704	1.9
125.02464	70.1
126.02777	2.9
136.98788	0.8
137.02449	0.9
139.00395	4.2
140.01210	3.1
141.01965	1.0
143.03490	0.7
149.02386	1.1
151.00395	2.1
151.03992	0.7
153.01976	0.7
154.99857	0.6
161.02429	1.4
163.04123	0.6
165.01994	1.2
166.99895	2.9
168.00639	5.4
169.01443	92.4
170.01799	3.4
177.01953	1.3
179.03517	1.1
191.03485	0.7
192.00676	0.6
193.01399	2.6
203.03520	0.8
205.01401	1.1
205.05153	0.6
207.03026	0.8
211.02478	3.4
235.02596	0.9
237.04027	0.8
253.03610	1.1
277.03571	1.2
279.05161	1.1
295.04538	3.4
297.06366	2.9
300.99789	1.0
313.05707	8.6
447.05710	1.8
449.07370	4.3
465.06741	7.4
466.06857	0.8
530.33716	0.6
608.60291	0.6
617.07886	100.0
618.08203	15.5
635.09167	1.0
787.09985	2.5
788.10638	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.9
61.98835	1.8
69.34263	3.6
76.97003	0.5
91.01873	0.6
96.96027	1.3
108.90232	2.7
109.85141	0.4
120.02209	0.6
121.02973	100.0
122.03283	3.5
148.02954	0.5
165.01933	2.7
169.01382	0.6
181.06587	3.1
191.03514	2.8
197.11855	3.4
207.10303	0.5
209.04575	63.8
210.04907	2.8
225.05562	2.7
241.36278	0.5
243.39998	0.5
253.09219	0.6
285.45126	0.5
300.79233	0.5
300.99939	1.6
309.20688	1.1
313.07193	5.0
314.07788	0.6
357.06216	1.9
401.08832	10.4
402.09311	0.8
471.69699	0.6
785.17847	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.6
60.23175	5.0
61.98833	49.0
70.51486	5.4
71.56584	4.6
71.56989	6.3
77.54926	4.7
78.70760	5.0
78.95914	23.6
94.18958	4.8
105.17887	5.0
111.67871	4.9
138.46306	5.9
140.27255	5.2
209.11845	23.8
216.58592	5.3
273.17221	6.2
276.33276	5.0
277.21716	100.0
277.24301	4.0
293.21188	5.2
300.99844	10.4
362.59396	5.4
440.72568	4.7
471.34872	5.7
712.42078	70.3
785.38409	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	785.085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01355	0.4
70.07066	1.8
70.07396	0.4
85.02970	0.6
93.91917	0.5
95.01416	1.0
107.01406	1.4
107.05109	0.4
117.03495	0.6
119.05021	0.5
123.00923	3.1
123.12891	0.4
123.38851	0.4
124.01656	0.4
125.02455	7.1
133.02992	0.8
145.02977	1.6
145.54730	0.4
147.04530	1.3
149.02400	0.7
157.02910	1.1
159.04529	1.1
161.02451	0.7
163.03949	0.9
169.01457	5.9
173.02448	2.1
175.04053	2.0
177.02013	0.8
185.02449	2.6
187.04056	0.6
189.01956	1.2
191.03506	1.4
201.01988	3.0
203.03506	3.8
205.01460	0.6
213.01917	0.8
217.01427	1.2
219.03111	0.9
226.99759	0.7
229.01431	7.1
230.01962	0.7
231.03008	3.7
245.00949	3.2
246.01588	0.5
247.02563	1.3
248.03288	1.8
249.04074	5.6
254.99306	0.4
257.00964	5.2
258.01544	1.3
267.63004	0.5
267.66238	0.5
273.00488	2.1
274.01263	1.0
275.01999	20.2
276.02344	1.8
283.99765	2.5
291.01331	0.7
299.99142	3.1
300.99921	100.0
302.00250	7.7
304.99442	0.6
313.05734	1.0
318.32202	0.5
419.06110	1.1
437.07050	0.7
447.05612	0.5
463.05228	1.7
465.06613	0.6
483.08063	0.4
615.06293	4.4
616.06573	0.9
617.07501	0.6
633.07581	2.3
634.07819	0.9
785.08490	14.4
786.08728	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	785.0848
Annotation	Tercatain
Peak:m/z	Relative Intensity
55.23629	0.8
58.89894	0.7
64.12333	0.7
67.49203	0.7
95.01381	2.1
98.20724	2.1
107.01403	2.9
111.00877	1.1
115.05544	0.9
119.05008	1.0
123.00925	5.4
124.01671	1.7
125.02462	14.8
129.56921	0.8
133.02969	0.9
137.96381	0.8
145.02954	2.5
147.04568	1.8
153.00197	0.9
158.03790	0.8
159.04514	2.3
161.02428	1.2
163.04074	2.0
164.04852	1.0
169.01456	13.2
173.02472	2.7
175.04002	4.6
177.01961	2.3
185.02425	3.5
187.04002	1.4
189.01920	1.2
191.03412	3.7
192.00696	0.8
201.02005	3.7
203.03523	10.9
204.03748	0.9
213.01920	1.6
217.01369	2.3
219.02939	2.4
220.03818	0.9
229.01440	12.3
230.02132	2.4
231.02942	9.0
245.00870	4.5
247.02489	2.6
248.03261	5.2
249.04068	17.0
250.04390	1.5
257.00934	10.7
258.01611	2.6
273.00476	3.2
274.01080	2.4
275.02002	54.3
276.02182	2.7
283.99664	3.1
291.01416	2.2
292.02420	0.8
299.99127	3.2
300.99918	100.0
302.00235	7.1
313.05640	2.4
335.22903	0.8
419.06125	2.3
444.18973	0.9
463.05237	2.8
511.17383	0.8
589.08875	1.2
615.06433	4.1
633.07397	1.3
785.08551	32.3
786.08978	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	784.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.2
61.98838	100.0
62.05192	0.1
62.98544	0.2
62.99268	0.1
71.01409	0.1
80.96535	0.3
85.03009	0.1
98.20739	0.1
105.84626	0.1
144.91310	0.1
197.11986	0.1
202.20058	0.1
207.10390	0.2
208.10603	0.1
209.11887	0.3
225.00713	0.1
227.13040	0.1
228.13287	0.1
268.10428	0.1
277.21713	0.7
278.22064	0.4
300.99973	0.2
363.05884	0.1
373.35577	0.1
630.77710	0.1
724.42639	0.1
784.43079	0.3
785.38696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.98529	0.1
66.25738	0.1
71.04185	0.3
77.60241	0.1
80.96545	0.5
85.57361	0.1
115.51373	0.1
116.92903	0.3
122.33669	0.1
277.21832	0.4
278.22272	0.2
352.39096	0.2
490.08069	0.1
785.38550	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01745	0.1
59.01388	0.6
59.06866	0.1
61.98835	100.0
71.01387	0.2
71.04172	0.1
78.95916	0.2
79.95749	0.2
80.96529	0.4
81.32674	0.1
101.02449	0.2
117.42601	0.1
154.19687	0.1
164.92548	0.2
185.11897	0.2
197.11917	0.2
209.11852	3.4
210.12256	1.2
211.13406	0.3
225.11354	0.4
227.12918	0.3
228.13329	0.2
235.08232	0.2
253.09328	0.4
277.21719	2.9
278.22122	1.9
279.22714	0.3
300.99985	0.4
417.52161	0.2
440.95239	0.2
724.42273	0.2
784.45837	0.4
785.37598	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43537	0.7
71.02541	0.7
71.56876	1.1
80.41483	1.0
95.01391	1.5
96.96024	1.2
101.02473	0.8
108.02177	5.6
109.02944	1.0
113.02452	0.9
117.03486	1.3
119.05040	1.9
121.02949	1.0
123.00896	2.3
125.02459	1.7
133.02954	1.4
137.02463	1.1
145.02994	4.6
146.03354	1.0
147.04532	3.6
149.02426	0.8
151.03944	1.0
152.01212	3.7
153.01935	2.4
157.02940	2.1
159.04539	1.4
161.02438	3.3
163.04073	3.7
165.01976	0.9
169.01450	2.0
173.01434	0.6
173.02492	6.2
174.02979	0.9
175.04033	4.8
177.01971	3.1
185.02513	3.9
187.04039	1.8
189.01938	5.2
190.02664	2.7
191.03560	9.5
193.01334	0.9
201.01938	7.7
202.02338	1.9
203.03549	6.5
205.01489	1.7
209.00879	1.2
213.01945	1.7
214.02762	0.8
214.99940	1.3
215.03484	1.1
216.00545	0.7
216.68758	0.8
217.01460	8.3
218.02014	1.0
219.03076	4.1
221.00853	1.5
221.04565	0.8
226.99924	1.3
228.00470	0.9
229.01447	13.1
230.01892	2.3
231.02870	3.3
231.34216	0.8
235.02669	1.0
242.99341	2.0
245.00966	12.1
246.01292	3.1
247.02527	20.9
248.02789	1.7
249.04053	3.1
257.00925	7.7
258.01535	3.3
259.02338	1.5
261.00424	1.3
261.03986	0.9
263.01797	1.3
269.01157	0.8
270.98926	6.3
271.99249	2.0
273.00455	18.5
274.00970	5.2
275.02005	27.9
276.02286	2.3
277.03409	0.8
283.99640	3.8
285.06210	7.6
288.02713	0.9
289.03577	1.3
291.01422	4.6
298.98373	8.5
299.99091	7.2
300.99902	100.0
302.00256	21.4
303.00479	10.2
308.66641	0.7
316.99341	1.1
325.59509	0.8
331.00916	0.9
333.02612	2.4
393.04688	2.8
397.07684	1.0
435.05487	1.6
437.06976	1.1
451.05231	1.9
453.06693	13.6
454.07208	1.5
457.75955	0.9
479.04715	19.8
480.04852	4.1
481.06107	6.6
497.05551	4.1
783.06879	18.5
784.07098	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	783.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.19403	0.5
65.55470	0.5
70.07235	2.0
71.01378	0.6
87.34808	0.5
93.25194	0.5
93.40390	0.4
95.01386	0.8
103.39401	0.4
108.02180	1.7
108.03545	0.5
117.03477	1.1
119.05058	0.9
123.00896	1.7
125.02530	1.0
129.03461	1.0
131.05112	0.5
133.02921	1.1
145.02957	3.8
147.04524	2.0
152.01181	1.2
157.02972	1.8
159.04527	1.4
161.02431	1.6
162.65257	0.5
163.04015	2.2
169.01390	0.6
171.00867	0.5
173.02420	3.5
175.03999	2.2
177.01901	1.0
185.02470	4.6
186.02942	0.5
187.04002	0.7
189.01974	2.7
190.02628	1.5
190.17502	0.6
191.03526	3.9
199.00433	0.8
200.01120	0.8
201.01944	6.0
202.02321	0.6
203.03554	6.0
204.03712	0.5
205.01353	0.7
213.01907	1.0
214.02583	0.6
216.00534	0.5
217.01480	3.1
218.02151	0.9
219.02972	2.7
221.04716	0.6
226.99933	1.3
229.01430	12.8
230.01884	1.6
231.02992	5.0
233.00917	0.7
235.02631	0.6
242.99409	0.7
243.02907	0.5
245.00923	4.6
246.01395	1.5
247.02509	7.3
248.02737	0.6
249.04141	2.8
257.00922	9.7
258.01660	3.1
259.02261	0.5
261.00430	1.1
270.98856	2.0
273.00497	6.4
274.00940	2.4
275.02005	29.4
276.02115	2.5
283.99625	3.0
284.99899	0.5
285.06180	1.5
291.01593	1.6
298.98416	2.4
299.99084	4.7
300.99908	100.0
302.00235	12.9
303.00388	3.7
333.02368	1.1
420.40097	0.6
451.05008	0.7
453.06644	4.0
461.03680	0.7
479.04703	7.4
480.05197	1.3
481.06140	6.2
482.07321	0.8
497.05765	1.7
783.06989	22.5
784.07263	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.5186
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98823	0.5
66.03476	1.4
67.93654	0.3
68.60451	0.4
70.02981	0.5
71.02507	1.4
75.62883	0.3
80.05080	0.9
82.06622	3.0
84.08191	0.5
87.05123	0.5
87.05636	5.6
88.04046	0.6
94.06606	0.6
95.02545	0.4
96.96011	0.5
97.04073	1.3
97.06609	0.3
98.02473	0.9
104.25329	0.5
110.03614	0.5
111.01990	0.8
112.07678	1.5
113.03560	1.7
116.05051	0.7
118.06625	1.1
120.93542	0.3
121.04076	2.2
122.04826	0.6
123.00884	0.4
127.08777	0.9
129.10352	21.1
130.08736	2.8
130.10716	0.7
131.05020	0.8
138.07950	0.6
139.08778	5.7
140.07195	4.0
140.10789	0.4
145.02960	0.4
146.06137	2.5
151.08731	0.9
153.10365	2.2
155.08307	4.2
155.11896	1.6
164.09525	5.0
165.10332	5.9
167.08246	1.1
167.10638	0.6
174.05569	0.4
180.11423	1.1
181.09824	0.6
181.16971	0.4
182.13031	3.2
182.15437	0.4
183.11494	2.7
183.12941	0.6
188.61200	0.4
195.15027	1.4
197.16611	3.8
198.12640	0.6
199.18123	1.0
200.14064	4.9
207.15033	17.2
208.10979	0.5
208.13527	0.8
208.15312	1.3
210.12611	0.4
214.12347	0.9
216.13896	0.9
224.17679	8.7
225.16054	3.9
225.17970	0.4
226.11961	0.6
226.16147	0.4
229.57295	0.4
231.14967	0.8
241.13467	2.7
242.11911	3.0
242.16229	0.7
242.18747	13.4
243.18950	0.7
252.20779	0.4
259.14514	5.2
260.14777	0.4
268.16733	0.7
268.20285	0.9
269.16599	0.8
276.17175	1.2
288.93112	0.4
294.25769	0.4
295.21396	8.7
300.99930	1.2
310.24988	0.8
312.17282	2.9
313.22525	3.4
329.19852	0.9
330.18301	1.4
337.26102	8.8
338.26450	0.5
341.93408	0.4
347.20694	1.1
355.27115	3.4
356.27548	0.4
371.24448	1.1
381.28882	0.6
389.25690	0.7
401.36093	0.4
443.26932	0.6
468.35477	0.5
494.36859	0.4
522.35956	0.4
539.39294	4.6
540.39349	0.9
556.35132	1.3
573.37756	4.9
574.38324	0.6
615.42365	2.6
641.43726	0.4
782.51904	100.0
783.52167	28.7
793.78436	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	782.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01352	0.1
61.98834	100.0
62.05013	0.1
62.98540	0.2
69.48993	0.6
69.49399	0.3
70.08555	0.1
71.01412	0.2
81.92950	0.1
88.98815	0.4
92.12073	0.1
96.96030	0.6
98.19917	0.3
101.02457	0.1
123.00924	0.2
125.02483	0.4
133.05115	0.1
138.02078	0.1
147.04553	0.1
169.01456	0.5
203.79721	0.1
209.11951	0.1
273.00568	0.2
300.99780	0.6
302.00711	0.2
474.73105	0.1
487.62500	0.1
522.27692	0.1
532.61212	0.1
541.02893	0.2
558.51282	0.1
614.54089	0.1
725.24902	0.1
783.33850	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89544	1.7
59.01382	1.8
61.48333	1.8
61.98816	3.6
69.72671	9.9
71.01385	1.8
78.95914	57.3
78.98573	2.1
79.95740	4.6
80.96520	20.8
81.03443	1.9
83.05016	6.3
87.84268	1.6
93.64494	1.6
94.98087	4.8
96.96970	14.3
106.98083	1.7
126.04634	1.8
148.99068	1.9
152.99626	11.4
163.11258	3.9
164.98564	4.1
165.12825	2.3
209.11853	53.3
210.12158	2.6
211.13530	2.9
223.00119	3.1
225.00705	4.0
227.12921	3.9
241.01245	24.9
255.23309	30.4
259.02280	3.8
277.21732	2.4
338.92776	1.9
364.51855	1.7
391.22491	1.9
763.39331	4.1
781.41370	100.0
782.41766	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	781.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.8
61.98856	0.7
70.29727	1.8
70.30156	1.3
71.01382	5.2
71.05013	1.0
73.02938	0.8
80.96530	0.8
83.01394	0.9
83.05016	0.7
85.02972	1.2
87.00912	0.9
89.02455	2.0
96.12293	0.7
97.02958	6.1
99.00903	9.0
101.02461	3.1
109.06599	2.2
110.03734	1.4
113.02505	1.4
123.08292	0.7
125.02404	1.2
125.09715	1.7
135.08171	1.0
136.05331	0.8
142.02721	2.2
161.04590	1.1
162.83940	4.1
163.11320	8.1
164.83595	1.5
179.10732	0.7
181.12352	16.4
199.13490	2.1
207.10280	50.8
208.10597	2.6
225.11340	100.0
226.11679	7.0
235.08228	1.4
243.12425	9.4
244.12770	1.2
253.09221	2.3
277.21741	86.1
278.22064	8.1
296.78680	0.7
299.15079	1.3
317.15970	0.7
395.13837	0.7
443.19464	4.0
444.19812	0.8
461.20297	39.1
462.20706	4.7
619.17719	0.7
651.76257	0.6
721.41693	28.7
722.42444	6.0
781.23407	0.7
781.40887	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94268	0.8
71.55785	1.2
78.95915	43.5
82.48854	0.8
87.00922	0.9
96.96976	100.0
160.97968	0.9
206.78615	0.8
247.63208	0.9
439.08585	24.8
440.08789	2.2
568.54340	1.1
579.54376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	1.2
61.98835	0.8
66.24960	0.6
67.01888	1.6
69.03465	1.8
71.01390	2.7
71.57413	1.0
72.99324	0.8
78.95909	1.3
79.01911	1.5
79.95761	1.0
81.03478	1.6
81.89857	0.5
83.01414	0.9
83.06779	0.5
85.02970	1.5
88.13607	0.6
88.98807	0.7
93.03478	0.9
95.01405	4.8
96.96020	15.1
97.02978	2.1
98.95613	0.9
99.00913	0.6
100.39666	0.6
101.02468	1.1
107.01402	7.5
111.00906	1.8
113.02454	1.0
117.03496	3.7
117.04213	0.6
119.05038	5.4
120.01292	1.2
121.02940	1.0
123.00892	11.8
123.04556	0.8
124.01654	1.8
125.02459	80.4
126.02795	2.9
135.04546	0.7
136.01683	1.1
136.98793	1.0
137.02484	1.5
139.00377	4.9
140.01170	3.4
141.01958	0.6
143.03497	0.9
145.02982	9.1
149.02446	2.1
150.03235	3.1
151.00366	3.7
151.04004	1.1
153.01990	0.9
159.04529	1.2
161.02417	2.0
163.03999	4.5
164.01192	0.8
165.01949	1.2
165.05602	3.4
166.02692	0.9
166.99895	3.1
168.00641	5.7
169.01439	100.0
170.01752	3.6
173.02396	1.2
175.04027	1.6
177.01894	1.3
179.03540	1.0
180.04259	1.1
181.01366	1.8
181.05023	0.7
187.04034	2.1
189.01921	1.3
190.02702	0.6
191.03482	1.4
193.01509	3.1
195.02718	0.7
195.06595	2.9
205.01532	1.1
207.03067	1.4
211.02519	7.7
217.01324	0.7
219.02992	0.8
223.02560	1.0
229.01419	1.4
231.02931	0.7
233.04565	0.7
235.02443	1.7
245.00977	1.9
253.03477	0.9
259.02469	0.7
270.98944	1.0
271.04626	1.6
273.00473	3.2
275.02133	1.5
277.03574	1.2
295.04575	4.5
297.06091	1.5
298.98499	1.1
299.99194	1.3
300.99915	20.8
302.00275	1.6
313.05637	8.6
387.14453	1.7
423.05670	0.8
447.05859	1.9
449.06897	0.7
459.09177	1.6
465.06598	6.5
479.04547	0.8
535.19849	2.5
583.21771	6.4
584.22198	0.9
611.10388	17.2
612.10791	3.4
617.07831	15.3
618.08264	1.4
629.11389	4.7
657.83490	0.8
781.12598	46.1
782.12946	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	781.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.2
61.98823	1.3
65.64216	0.5
67.01901	2.0
69.03458	2.7
69.20893	4.6
69.21307	0.9
71.01395	2.6
72.99341	1.1
79.01912	1.5
80.51691	0.5
81.03456	0.7
82.56535	0.5
83.01408	0.8
85.02976	1.3
87.00880	0.7
89.02430	0.6
93.03469	1.1
95.01390	4.2
95.06621	0.5
96.96026	5.3
97.02956	2.8
99.00973	0.5
101.02477	0.6
102.32978	0.6
105.03491	0.8
107.01405	6.8
109.02984	1.2
111.00912	2.5
113.02469	1.9
116.92942	0.6
117.03493	2.3
119.05042	16.9
120.05363	1.2
121.02985	1.4
122.03751	0.6
123.00904	13.2
123.04508	0.7
124.01678	1.5
125.02464	84.9
126.02789	3.0
127.00413	0.8
130.38664	0.6
133.02992	1.1
135.04562	0.8
136.98853	1.5
137.02478	2.1
139.00374	5.1
140.01172	3.9
141.01991	1.0
143.03548	0.6
145.02971	11.6
147.04616	1.0
149.02492	1.0
150.03230	2.1
151.00381	3.6
151.03951	0.9
153.01971	0.8
159.04590	0.7
160.01726	0.5
161.02469	3.5
162.03226	0.7
163.04036	17.0
164.01242	0.5
164.04417	0.7
165.01942	1.7
165.05580	1.7
166.02739	1.5
166.99898	4.0
167.03529	1.3
168.00661	5.8
169.01448	100.0
170.01788	4.2
173.02472	0.8
175.04028	1.5
177.01990	1.4
179.03528	6.0
179.53029	0.5
180.04262	0.5
181.01439	0.8
185.02470	0.9
187.04047	0.7
189.01970	1.8
190.02600	0.8
191.03522	2.6
192.00735	0.5
193.01381	3.6
195.06673	1.8
201.01970	1.0
203.03580	0.7
205.01443	1.4
205.05029	1.0
207.03038	1.2
211.02477	1.3
216.00690	0.6
217.01392	1.5
229.01479	1.1
235.02518	2.0
235.06131	1.0
242.99521	0.7
245.00955	1.6
247.02493	0.6
257.01062	0.9
270.98965	1.1
273.00397	2.2
273.02957	0.5
275.02036	1.8
277.03394	0.7
284.00201	0.5
286.92471	0.7
287.05780	0.7
295.04529	2.0
298.98233	1.5
299.99057	1.8
300.99933	17.9
302.00208	1.4
307.08356	1.0
313.05719	2.9
317.07239	0.5
397.08627	0.7
415.10416	0.6
441.08093	2.9
459.09445	18.7
460.09723	2.1
465.06866	0.9
472.58212	0.5
479.04977	1.5
567.11432	7.9
568.11627	0.9
611.10455	41.7
612.10834	7.1
617.07880	10.3
618.08160	1.8
629.11566	7.3
630.11859	1.5
781.12506	16.6
781.26526	0.9
781.31891	0.9
782.12994	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	781.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77980	0.3
55.30674	0.3
55.96958	0.3
59.84235	0.4
65.00320	0.5
69.98822	1.0
80.16406	0.3
95.01383	0.6
96.08094	0.4
96.67259	0.3
97.19698	0.3
100.36841	0.4
105.03424	0.3
117.03480	1.3
119.04958	0.4
121.02902	0.3
123.00820	0.5
125.02451	0.4
129.03461	0.6
131.04985	0.4
133.02969	1.4
145.02969	4.3
147.04550	0.9
157.02953	1.2
159.04572	0.7
160.01567	0.6
161.02431	3.0
163.00360	0.8
163.04018	1.5
169.01408	0.3
171.00850	0.6
172.01572	0.4
173.02434	4.5
174.03062	0.4
175.04004	1.0
177.01921	0.4
185.02446	3.2
187.00307	0.8
187.03952	0.7
189.01933	4.3
190.02594	0.6
191.03488	1.6
199.00348	0.9
200.01094	1.0
201.01958	4.9
202.02379	0.6
203.03587	1.9
213.01901	0.9
214.99844	1.1
215.03577	0.5
216.00609	0.9
217.01434	5.4
218.02069	0.4
219.02980	1.0
226.99892	1.3
228.00621	0.7
229.01447	6.6
230.01888	0.7
231.02930	1.6
233.00999	0.4
242.99298	1.9
243.02998	1.1
244.00099	1.0
245.00928	12.3
246.01378	0.9
247.02480	3.5
249.04088	0.6
254.99495	0.5
257.00955	3.4
258.01630	1.0
259.02469	0.9
261.00397	1.5
263.02005	0.6
270.98849	6.4
271.02124	0.8
271.99426	1.1
273.00439	19.4
274.00854	1.4
275.01993	8.1
276.02209	0.7
283.02527	0.4
283.99622	2.5
285.00226	0.5
287.02014	0.9
288.99734	0.4
289.03430	0.4
291.01526	1.7
298.98364	11.1
299.01761	0.6
299.99109	5.8
300.99908	100.0
302.00250	8.8
303.01242	0.4
312.99884	0.9
315.01450	1.4
316.99356	1.9
319.00650	0.5
331.01071	0.9
340.99277	1.2
343.00739	0.5
407.06363	0.6
417.04575	0.4
419.02292	0.7
435.05634	1.5
451.05194	3.8
461.03516	1.8
463.05228	0.6
479.04706	8.9
480.05219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00314	0.4
67.27289	0.3
71.56157	0.4
78.95902	2.0
85.02931	0.3
89.03954	0.4
89.70480	0.3
96.96976	4.6
115.05600	0.3
117.03477	1.2
119.05010	0.5
121.02925	0.3
123.00884	0.5
125.02444	0.6
129.03450	0.5
131.04999	0.4
133.02931	1.2
143.01364	0.3
145.02985	4.2
146.03406	0.3
147.04529	0.8
149.02419	0.4
155.01457	0.3
157.02937	1.6
159.00882	0.3
159.04497	0.9
160.01634	0.4
161.02444	2.8
163.00349	0.3
163.04039	1.8
171.00864	0.5
172.01630	0.4
173.02454	4.0
174.02924	0.4
175.04025	1.4
177.01933	0.7
182.11198	0.3
185.02464	3.1
187.00343	0.9
187.04010	0.5
188.01143	0.3
189.01955	3.8
190.02623	0.9
191.03455	1.9
199.00397	0.9
199.04034	0.5
200.01143	0.7
201.01962	4.6
202.02303	0.3
202.99684	0.3
203.03564	1.9
213.01920	0.7
214.99864	1.0
215.03497	0.8
216.00609	0.9
217.01436	5.2
218.01811	0.5
219.02966	0.4
223.49364	0.3
226.99886	1.4
228.00642	0.8
229.01430	6.6
230.01897	0.8
231.02844	1.4
242.99373	1.4
243.03000	0.9
244.00092	1.2
245.00923	11.4
246.01390	0.8
247.02472	3.5
248.02780	0.3
249.03940	1.0
254.99385	0.5
256.00095	0.3
257.00897	3.5
258.01535	0.9
259.02426	1.1
259.99768	0.5
261.00403	1.4
263.01895	1.0
269.00861	0.4
270.98871	6.8
271.02094	0.6
271.99414	1.1
273.00427	18.6
274.00919	1.4
275.01965	8.5
276.02170	0.5
283.99625	2.5
285.00314	1.0
287.01981	1.1
288.99908	1.1
291.01398	1.9
298.98346	11.4
299.99091	6.5
300.99908	100.0
302.00256	8.7
312.99881	1.2
315.01538	1.3
316.99454	1.7
319.01013	0.4
331.00897	1.0
340.99445	1.3
359.00153	0.6
407.06219	0.4
417.04617	0.6
419.02625	0.6
423.05600	0.6
434.96341	0.3
435.05630	1.7
439.08759	1.2
451.05237	3.9
461.03644	2.6
463.05609	0.7
479.04727	9.2
479.11526	0.6
480.04965	1.3
616.29480	0.3
781.05212	0.5
793.02173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4597
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01386	22.2
61.98856	0.9
64.33624	0.5
66.12246	0.5
69.03480	1.5
69.83875	1.1
69.84269	1.0
71.01398	4.0
71.05041	0.6
83.01422	0.5
83.05035	0.5
85.02938	1.0
85.06612	0.4
86.22123	0.4
87.00903	1.1
89.02473	2.2
91.83873	0.5
101.02464	3.8
109.06616	0.6
110.75683	0.5
113.02470	1.9
116.05392	0.5
119.03523	0.5
143.03494	0.6
161.04588	1.4
167.10779	2.9
179.05615	1.3
179.10838	1.0
179.14435	2.2
195.13943	8.2
205.12346	8.5
206.12798	0.5
223.13420	97.6
224.13771	6.8
224.22885	0.5
235.08231	4.1
253.09338	9.6
275.20029	0.7
276.63385	0.5
277.21750	100.0
278.22089	10.1
306.25790	0.5
441.21432	2.7
459.22443	11.0
460.22635	1.4
513.30762	1.3
580.01941	0.5
719.43579	1.4
779.39130	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.111
Annotation	Unknow
Peak:m/z	Relative Intensity
66.08173	0.2
69.23170	0.2
82.69998	0.2
83.83076	0.2
92.63380	0.2
96.96001	0.5
98.20654	0.5
107.01419	0.2
117.03486	0.6
119.05002	0.3
123.00953	0.3
125.02463	0.8
128.21027	0.2
129.03531	0.4
133.02983	0.4
145.02989	1.8
146.38800	0.2
157.02911	0.6
161.02396	0.3
163.04016	0.6
165.02115	0.2
165.05574	0.2
165.52428	0.2
169.01411	1.1
173.02438	1.8
177.15660	0.2
185.02437	2.5
189.01872	0.3
193.05020	0.2
199.00435	0.3
200.01167	0.3
201.01961	2.2
202.02261	0.2
213.01904	0.3
216.00536	0.3
217.01447	0.4
226.99991	0.5
229.01433	3.4
240.00558	0.3
244.00020	0.3
245.00926	1.5
257.00958	1.5
273.00510	0.4
275.01962	0.4
283.99655	2.4
299.99118	2.7
300.99908	100.0
302.00256	7.5
463.05188	0.4
477.10385	2.9
478.10782	0.4
482.03842	0.3
522.22906	0.2
567.76630	0.2
779.11249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.2
61.98822	3.1
71.01396	2.5
71.84058	2.6
93.12112	2.6
93.92804	2.9
96.96082	3.2
101.02433	4.8
113.02457	2.9
171.10225	5.8
201.11360	40.7
209.11865	62.9
210.12131	3.5
221.12976	2.8
225.11380	5.0
227.12866	12.2
229.87146	2.7
235.08232	12.2
253.09412	16.7
277.18893	5.6
277.21783	100.0
278.22110	11.3
437.20419	3.6
445.20877	7.6
481.88461	2.9
513.30872	5.2
777.41577	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	33.8
64.03199	26.2
70.78655	35.1
70.78986	40.9
164.93622	31.4
211.13429	100.0
277.21747	70.8
303.90851	30.8
361.33914	36.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
57.67161	0.1
59.01405	0.1
67.11038	0.1
69.16569	0.1
78.95911	5.3
79.95749	3.1
96.96024	100.0
96.96918	6.9
97.95946	0.4
116.56422	0.1
117.48289	0.1
125.02409	0.2
136.01692	0.1
150.58798	0.1
151.04019	0.2
169.01447	0.2
285.04123	0.2
300.99921	0.1
327.07309	0.2
775.16901	0.1
775.47070	0.2
797.76489	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92923	12.7
61.98838	100.0
62.81723	15.1
68.77575	12.5
71.13445	24.4
75.92264	12.5
78.95908	21.6
79.88225	11.2
83.35389	13.8
96.96025	45.8
109.06603	19.0
163.11241	12.9
197.11864	19.6
200.51494	14.1
207.10240	45.0
209.11879	48.1
209.32330	14.6
211.13376	93.3
225.11328	14.8
227.13017	19.5
235.08337	15.7
253.09337	38.0
291.19580	24.9
291.80710	12.7
293.21271	85.2
294.21414	24.7
300.99863	40.1
309.20764	46.8
447.22644	18.4
704.45392	15.1
737.41394	19.2
775.40100	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	775.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42496	1.8
59.01378	5.6
61.98835	9.2
65.88336	2.0
69.52125	12.7
71.01377	6.3
78.95891	3.2
85.02953	2.5
89.02419	4.2
95.05009	2.4
97.02905	2.2
98.07329	1.7
100.51219	1.7
101.02430	4.2
103.30087	1.8
109.06578	5.4
113.02486	2.7
125.02432	2.2
161.04619	2.4
161.09666	1.8
163.11279	5.5
171.10286	16.1
179.05580	2.6
181.08646	2.9
185.29575	1.7
189.09235	4.0
197.11748	1.9
199.09769	12.2
199.51247	1.9
199.59839	2.2
201.11357	2.4
207.10280	30.5
208.10582	2.5
222.91939	1.8
225.11336	84.7
226.11693	6.3
235.08237	9.1
253.09319	15.8
277.21716	100.0
278.22037	10.1
371.08191	1.9
443.19266	15.7
444.19397	2.5
461.20258	33.9
462.20605	5.2
513.30634	4.2
695.40155	28.2
696.40271	5.4
721.41681	45.4
722.41821	11.4
775.40405	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	775.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.31007	1.8
61.98824	6.2
62.92508	1.8
64.83680	1.8
67.95463	2.3
71.01416	3.4
71.27958	3.5
78.95893	5.0
90.42695	2.5
96.96017	14.2
98.95602	4.1
125.02443	2.3
169.01457	4.7
171.10226	2.2
209.11830	100.0
209.13806	4.9
210.12190	5.0
211.13461	3.6
227.12910	25.4
235.08284	6.2
253.09203	12.7
275.19949	2.3
293.21222	52.1
294.10837	2.0
294.21680	4.9
300.99948	7.8
329.46011	2.2
357.19955	2.4
406.87717	2.2
445.20935	10.0
704.90344	2.1
775.40320	24.7
776.41034	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	775.4049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02478	3.2
55.61396	3.4
56.76093	3.3
59.01394	3.5
61.98835	6.2
72.47120	3.8
78.95907	5.9
96.95998	8.3
98.20658	9.6
100.91168	3.6
103.67532	3.5
104.91693	3.3
195.13863	5.0
209.11839	85.3
210.12221	4.0
211.13429	5.6
227.12996	19.7
253.09264	25.8
259.33435	3.9
275.20047	6.8
291.84073	3.5
293.21252	100.0
294.21445	9.2
300.41592	3.9
300.99945	5.6
396.75211	3.5
445.20724	5.1
529.30365	6.6
633.07965	4.4
775.40448	43.1
776.42017	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	775.4045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79379	2.0
59.01391	7.1
61.98837	10.1
62.02839	2.2
67.46465	2.0
70.60709	5.7
71.01406	5.8
72.99360	2.0
73.02970	2.4
78.79279	2.1
78.95906	5.1
83.01446	2.6
89.02458	2.7
94.51569	2.1
101.02438	5.3
109.06615	8.5
113.02471	3.3
115.07973	2.2
137.09796	2.6
152.99553	2.8
163.11298	5.3
166.70493	2.2
171.10294	21.8
189.09172	2.3
189.42258	2.2
199.09775	32.2
200.10161	2.3
207.10260	46.3
208.10623	4.5
225.11348	47.3
226.11639	3.3
235.08266	5.1
253.09288	17.5
267.12994	2.4
277.21738	100.0
278.22028	9.0
280.43634	2.2
435.18713	11.3
441.30075	5.0
443.19397	12.4
461.20364	17.5
513.30719	2.9
695.40015	46.8
696.40167	12.5
721.41772	40.6
722.42517	8.4
775.39697	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	775.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90873	16.7
61.98843	74.1
68.17398	16.1
70.15054	36.2
70.15407	57.4
78.95908	25.6
96.95988	92.4
102.02757	16.8
145.02977	59.6
150.08261	18.5
175.67529	19.8
209.11897	39.6
211.13397	100.0
253.09326	26.9
277.21631	29.9
291.19769	23.3
293.21204	42.4
300.99893	62.8
309.20734	38.0
328.23196	23.7
775.40436	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86764	0.4
59.01387	33.3
64.92341	0.4
71.01400	6.5
71.01849	0.6
73.02965	1.4
83.01395	1.2
85.02956	2.9
89.02478	2.6
92.37509	0.4
99.00917	1.2
101.02451	5.5
111.00882	0.9
113.02469	2.4
119.03495	1.0
125.02454	1.4
137.02469	0.6
161.04631	0.7
169.01378	0.9
227.13037	0.6
275.02145	0.4
300.99915	1.1
371.16986	0.5
389.18204	100.0
390.18521	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	775.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	41.1
71.01374	16.2
112.02985	8.6
131.95329	9.7
146.32231	9.4
152.99489	9.5
169.01344	11.1
171.10292	88.8
185.11707	10.5
187.00729	10.7
207.10292	17.4
211.13417	18.4
225.11345	57.1
253.09241	20.4
277.21692	100.0
293.21115	16.3
420.53104	9.8
461.20297	20.8
664.21185	9.4
721.41272	18.1
737.75787	11.6
739.43066	14.1
775.40948	20.8
776.41785	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	773.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.7
56.61794	0.4
57.03431	1.4
59.01381	5.1
61.98837	6.0
69.03450	0.9
71.01391	4.4
71.57304	0.6
73.02946	1.5
78.95907	1.8
79.95751	0.8
80.02694	1.0
81.03442	1.1
82.95436	0.7
83.01401	1.1
83.05029	4.6
84.00375	0.5
84.02180	1.0
85.02956	4.1
87.00877	1.3
89.02429	3.4
91.21095	0.4
93.03455	0.7
95.05053	1.5
96.96021	26.4
96.96978	1.5
97.02993	0.5
97.06603	2.1
98.95643	2.5
99.00919	0.5
101.02457	3.9
109.06571	1.1
113.02463	2.8
116.92872	4.9
119.03503	0.8
125.02455	2.1
125.06121	0.8
125.09692	1.0
127.11330	1.0
135.08177	1.0
137.09726	1.5
145.05058	1.2
150.03194	0.6
152.95094	0.5
155.10776	0.9
161.04608	2.4
163.11290	3.8
165.05498	0.7
165.12828	2.6
169.01485	1.0
171.10281	13.1
179.05598	0.8
183.13878	1.4
185.11850	0.7
194.05782	0.6
198.71494	0.4
204.35199	0.6
209.11839	100.0
210.12169	6.0
211.13385	10.6
212.13731	0.7
221.11874	1.4
222.39063	0.5
227.12915	13.3
227.15146	0.8
228.13150	1.0
229.14441	8.0
230.14807	0.6
235.08287	6.8
239.12860	1.3
253.09305	17.6
254.09636	1.0
273.00430	0.5
291.19684	3.4
300.99921	1.5
309.20670	7.8
310.21228	1.0
327.21783	61.2
328.22067	5.4
385.92221	0.6
411.20300	0.6
445.20865	1.6
519.33514	0.8
545.30157	1.2
563.30731	2.5
755.97296	0.6
773.35114	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.2
61.98841	70.6
70.56816	13.0
70.57154	22.6
71.01391	10.8
75.84705	10.4
79.87452	11.6
82.12906	10.6
88.98805	16.8
96.28167	10.1
96.96031	20.2
97.39148	9.9
109.06593	15.6
169.01414	14.0
169.05635	10.3
207.10281	89.8
209.11778	23.0
225.11343	29.2
235.08215	12.0
253.09247	31.1
291.19672	15.9
293.21243	100.0
294.21545	18.8
300.99841	20.1
443.19247	18.5
644.48907	12.1
719.40228	14.5
737.41071	61.1
738.41571	18.0
773.39063	39.6
774.37799	16.2
783.04846	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	773.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	3.9
61.98829	4.4
71.01380	2.2
78.95911	4.7
83.05040	4.7
96.96020	34.3
96.96941	4.5
111.08170	2.3
163.11349	3.6
209.11839	100.0
210.12132	8.4
227.12898	22.2
228.13197	4.1
235.08344	4.9
253.09233	10.6
291.19662	63.9
292.19958	8.6
301.00009	3.8
344.81143	2.0
375.58890	2.4
407.16119	2.6
445.20816	9.3
506.06137	2.3
527.28375	3.5
719.40192	6.7
737.41779	3.6
773.38287	14.2
774.38715	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	773.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23825	3.7
59.01391	7.2
61.98823	19.0
70.95905	3.7
71.01399	6.7
96.96030	47.6
123.04570	6.7
125.02441	5.1
128.90149	23.1
152.07162	4.5
169.01454	4.5
209.11856	100.0
210.12163	8.3
223.02200	3.8
227.12889	18.9
271.99423	5.1
273.00327	4.7
294.43411	4.9
300.99829	15.8
445.20706	10.0
446.77615	4.4
511.47626	4.2
576.36749	3.9
632.74554	4.5
633.06903	8.2
643.27185	4.4
673.33417	4.7
773.37146	22.3
774.36426	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
59.27057	15.4
59.95184	14.1
61.98838	100.0
69.98460	17.6
71.57543	23.0
81.60336	16.0
82.54980	14.6
107.49032	17.6
116.59661	16.2
116.75163	16.4
170.07318	17.7
211.13486	95.3
250.24548	16.8
252.06934	19.8
289.18069	55.2
307.19226	41.0
375.38812	18.9
387.59683	17.5
396.07797	16.6
463.45651	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	773.3282
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66368	0.1
59.01377	0.1
61.98834	0.3
69.81660	0.1
71.01384	0.1
78.95913	5.9
79.95748	3.4
87.04613	0.1
94.92503	0.3
96.92226	0.5
96.96023	100.0
96.96919	6.9
97.95962	0.4
102.21479	0.1
116.92868	0.1
146.23856	0.2
146.48018	0.1
167.79366	0.1
209.11900	0.2
211.13322	0.2
277.21945	0.1
356.45993	0.1
379.52115	0.1
428.82205	0.1
435.08304	0.2
564.89038	0.1
582.65027	0.1
683.97614	0.1
713.30847	0.3
761.61816	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.328
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.1
61.98826	0.2
66.89037	0.1
68.99579	0.1
71.01392	0.2
78.95914	6.3
79.95748	3.6
94.92514	0.1
96.96026	100.0
96.96918	7.5
97.95963	0.3
98.19930	0.2
111.74098	0.1
111.77055	0.1
129.15823	0.1
148.03986	0.1
155.13228	0.1
171.10365	0.1
181.61972	0.1
187.77861	0.1
211.13313	0.1
236.13631	0.1
259.01740	0.1
277.21719	0.1
281.55746	0.1
435.08389	0.2
453.09464	0.3
713.31207	0.4
755.57227	0.1
762.13226	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52262	0.9
59.01390	2.6
65.62306	0.8
66.64537	1.0
67.01913	0.9
70.25461	1.0
70.82977	1.0
71.01398	4.4
71.01736	0.8
71.56504	1.3
72.19827	0.9
72.99300	1.6
73.02960	2.7
83.01407	3.1
83.05044	3.7
85.02968	2.2
85.72328	0.8
87.00846	0.9
89.02416	1.4
91.05595	1.0
93.03464	8.7
95.01393	2.2
97.03003	1.1
99.00891	1.0
101.02464	1.5
107.01400	7.3
107.05091	1.1
108.02172	2.8
109.02970	4.0
111.00906	2.5
111.04527	16.1
113.02483	1.3
119.05043	1.8
123.00900	17.3
125.02461	26.4
125.06101	1.2
135.04506	2.2
137.02475	2.7
138.34630	1.0
139.00372	4.7
141.01883	1.7
147.04509	0.9
151.00386	12.1
151.04044	1.1
152.01160	1.7
153.01944	2.6
153.05589	1.4
155.03497	8.5
163.03853	1.2
168.00650	3.7
169.01436	53.8
170.01816	2.4
173.04578	5.8
175.03906	1.2
177.05551	1.5
179.03496	1.1
181.05049	1.0
185.02425	1.2
191.03574	1.2
193.01387	2.1
197.04631	2.2
201.01973	1.3
203.03578	1.9
211.02454	11.1
245.00858	1.0
247.02534	2.6
253.03462	1.5
257.00830	1.1
261.00589	1.4
271.04623	5.0
273.00330	1.8
275.01962	6.4
285.06247	1.7
300.99930	14.8
302.00461	1.6
313.05646	3.7
325.05804	3.7
330.03891	0.9
331.06705	19.3
332.06921	1.7
451.08926	1.4
469.09918	28.4
470.10361	3.8
487.10968	100.0
488.11169	11.5
574.87537	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83281	1.0
60.00755	1.3
71.01380	1.6
71.56113	1.7
79.05536	1.6
88.02901	1.4
107.91560	1.2
117.03477	1.2
119.04993	2.3
121.02945	1.4
121.06586	1.6
123.00906	2.6
125.02442	5.2
131.05025	4.6
133.02962	3.7
135.04573	1.9
145.02936	2.4
147.04532	6.0
149.06113	17.4
157.52679	1.3
159.04530	9.2
161.02411	4.2
162.03220	2.6
163.04002	3.8
169.01422	2.4
173.02419	3.3
175.04012	16.0
176.04675	1.8
177.02011	2.3
177.04089	2.4
177.05583	36.8
178.05911	2.3
185.02405	3.8
189.01923	2.3
191.03465	7.3
201.01930	4.8
202.99831	1.4
203.03516	23.9
204.03825	1.8
205.01370	4.2
213.01933	3.0
217.01408	4.8
219.02982	4.8
220.03766	3.0
221.04555	13.1
229.01416	17.6
230.01917	2.6
231.03040	7.2
245.00981	4.7
245.04616	1.3
246.01590	1.2
247.02522	29.2
248.02834	2.7
249.04045	16.6
257.00928	15.2
258.01685	7.9
265.03540	52.6
266.03876	2.1
273.00345	8.8
275.01996	100.0
276.02307	5.7
288.99939	1.8
291.01465	10.8
299.98929	1.8
300.99924	95.5
302.00299	7.9
307.04718	1.4
319.00919	2.3
367.06653	2.0
409.07687	5.9
419.06110	2.3
427.08807	16.9
437.07251	6.1
453.06863	2.9
454.22208	1.7
462.82788	1.4
685.10156	7.0
686.11298	2.1
729.09668	15.7
729.80432	1.5
730.09827	3.9
773.08313	6.8
774.08478	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.0851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.4
62.07125	0.5
70.30809	1.5
70.31165	0.4
71.01376	0.7
72.38306	0.4
78.40965	0.5
95.01408	0.4
105.03469	1.6
113.02455	0.5
117.03460	0.9
119.05045	1.9
121.02930	0.5
123.00910	1.0
125.02460	1.0
131.05031	1.5
133.02953	1.1
134.03677	0.5
137.02411	1.5
138.03259	0.5
140.80354	0.4
145.02997	2.3
147.04536	4.6
149.02458	0.5
149.06131	2.7
157.02966	1.1
158.03734	0.7
159.04471	2.4
161.02477	1.5
162.03236	0.8
163.00352	1.5
163.04016	1.6
164.01184	0.6
165.01936	1.8
167.03419	0.6
169.01393	0.6
173.02429	2.5
174.03220	0.7
175.04015	14.8
176.04547	1.0
177.01953	1.1
177.05595	6.7
185.02464	2.7
187.04019	0.8
189.01973	1.2
190.02704	0.5
190.99889	1.0
191.03511	3.5
193.01471	3.2
193.05095	1.6
201.01936	4.3
202.02672	0.6
203.03517	19.3
204.03859	1.7
205.01387	2.2
209.00845	1.0
209.67198	0.5
213.01947	1.3
217.01428	1.6
219.03023	3.2
220.03706	1.3
221.04588	4.0
229.01448	10.5
230.01962	0.8
231.02940	3.4
234.01340	0.5
245.00885	3.3
247.02502	22.0
248.02847	1.7
249.04079	2.8
257.00925	8.7
258.01605	3.4
261.00446	0.5
265.03543	5.1
273.00464	3.2
274.01144	0.9
275.01999	63.6
276.02304	4.5
283.99683	1.8
291.01480	3.4
292.01840	0.6
299.99121	2.6
300.99918	100.0
302.00259	6.9
307.04541	0.9
309.02472	0.8
311.03574	0.5
319.01071	2.8
367.06665	1.7
409.08136	0.5
419.06732	0.6
427.08774	5.3
437.07370	0.9
453.06757	6.0
454.07022	0.9
471.07858	5.6
472.08127	0.9
474.77701	0.4
481.06622	0.9
729.09900	0.7
773.08459	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.92326	2.2
59.01394	14.5
61.98822	7.0
69.03463	3.9
69.35753	18.3
71.01387	24.7
72.99310	2.6
73.02943	5.5
78.95911	9.0
79.95734	5.0
83.05022	5.4
85.02945	4.9
87.00878	3.4
89.02452	7.2
95.05016	2.6
96.35627	2.2
96.96021	100.0
96.96985	7.1
97.02950	9.8
101.02473	5.9
109.06578	7.3
111.08157	2.4
113.02470	4.9
123.04541	3.7
125.09759	3.6
127.11299	4.8
135.08183	2.7
161.04532	3.7
163.11288	8.9
165.12837	5.6
171.05217	2.4
171.10297	61.9
172.10628	3.1
181.12344	4.4
193.12326	4.3
197.11787	11.0
199.13371	2.6
201.11369	25.4
204.52747	2.4
207.10297	21.1
209.11868	47.8
210.12097	2.8
211.11473	3.6
211.13414	44.9
215.12805	3.2
225.11363	33.0
225.14989	3.6
226.11830	3.1
227.12918	11.3
235.08209	7.2
253.09325	29.3
289.18103	8.0
290.18311	2.2
291.19711	32.6
293.21201	2.5
300.99835	3.7
307.19183	5.0
309.20755	45.5
310.20981	5.7
341.23294	20.0
342.23416	2.3
447.22012	2.8
461.20316	7.9
666.88043	2.6
753.40216	2.7
771.42322	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	771.4098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	21.9
61.98840	100.0
71.27026	11.8
78.95915	9.2
79.13673	5.3
96.96000	6.1
102.99621	6.9
118.16463	5.8
165.17587	5.8
171.10274	13.2
197.11821	11.7
209.11861	12.9
221.11702	13.5
239.12761	8.7
255.23360	9.0
277.21872	38.8
278.22131	9.1
739.43634	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	771.4173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01381	11.5
61.98837	41.6
61.99161	2.3
68.99587	3.1
69.03470	2.7
71.01391	10.8
71.05034	1.8
73.02966	2.2
76.50051	1.2
78.95911	5.1
79.95740	2.4
80.02699	3.4
80.91691	2.1
80.96519	2.4
81.03475	3.6
82.95428	2.3
83.01435	1.9
83.05041	6.3
85.02959	6.0
89.02443	4.9
91.04017	1.3
93.03452	1.3
95.01381	1.8
95.05044	1.7
96.96024	52.4
96.96980	4.6
97.02943	6.3
97.06579	4.1
101.02464	6.8
107.05019	1.8
108.02125	1.4
109.06600	24.6
110.03786	1.7
112.98591	2.9
113.02473	3.8
119.03501	2.2
121.06629	1.9
125.02451	2.3
125.06078	2.6
125.09721	1.4
133.91899	1.3
135.08165	3.5
136.05356	1.3
136.46114	1.3
138.02034	6.9
139.02274	1.7
139.04123	1.3
161.04607	2.8
161.09673	1.5
163.11339	13.2
165.12823	3.6
169.01454	2.0
169.12494	1.6
171.10271	17.8
181.12370	3.8
183.13843	2.3
185.11818	1.4
189.09218	1.5
197.11847	11.5
201.75967	1.3
207.10283	54.1
208.10590	4.0
209.11841	100.0
210.12198	5.7
211.13417	19.0
225.11340	21.0
227.12851	13.0
229.14429	5.6
229.48549	1.4
235.08278	9.9
235.13371	1.7
237.14932	2.8
253.09291	27.3
280.36615	1.3
289.17963	1.6
291.19714	2.8
301.00070	3.0
307.19037	3.4
309.20761	6.7
325.20227	30.7
326.20520	3.6
327.21802	47.4
328.22058	4.5
443.19180	3.4
445.20755	1.8
461.20349	4.6
462.20496	2.3
462.26529	1.7
528.28491	1.4
563.30896	2.4
771.41913	23.7
772.41827	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	26.2
61.40401	19.9
61.98837	61.1
65.80035	20.1
66.28099	22.0
70.12404	94.4
78.95930	30.9
88.05913	22.7
95.07915	18.8
205.06520	24.7
223.13373	64.7
293.21201	100.0
300.99884	39.9
771.41467	39.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27953	9.6
61.98832	54.2
66.51799	13.3
71.14209	21.7
71.14553	11.1
74.99464	10.3
75.17432	9.3
78.95936	10.7
79.12337	10.2
79.35889	9.8
86.99768	9.5
96.96001	19.7
97.10068	11.3
104.28493	9.8
109.06566	13.2
153.27496	13.3
207.10257	40.8
225.11264	27.3
253.09311	12.7
272.13715	11.6
291.19571	100.0
319.84229	10.7
440.99692	11.6
717.38324	52.2
718.38885	20.9
735.39502	67.8
736.39880	15.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89884	2.0
59.01386	9.4
59.25073	1.7
61.98837	100.0
62.00282	2.0
66.93513	2.1
68.99582	7.0
69.03487	2.0
70.43916	1.8
71.01386	6.5
71.46434	3.8
73.02961	2.2
78.95900	8.4
79.95739	4.9
80.96531	11.9
82.95432	2.4
83.05037	3.3
84.95067	2.2
85.02983	2.3
87.00871	2.3
88.98831	6.0
91.34893	1.9
94.98063	3.8
96.96021	96.4
96.97009	7.2
97.02956	3.5
98.95608	3.7
101.02431	3.0
109.06648	2.4
112.98595	6.3
113.02466	3.7
123.00887	2.5
125.02420	3.6
125.09779	2.5
163.11339	4.0
165.05637	4.8
169.01447	5.2
171.10297	5.7
207.10303	19.6
209.11862	49.9
211.13429	4.9
225.00786	3.6
225.11339	8.4
227.12938	10.2
235.08272	3.1
239.12883	25.6
253.09352	13.2
271.15314	9.9
273.17188	11.4
300.99921	3.8
327.21704	6.2
408.87601	2.4
461.20358	3.3
675.64386	2.4
771.34070	12.1
772.35052	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	771.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20678	0.1
61.98830	1.1
65.45200	0.1
65.99890	0.1
71.01387	0.1
71.57771	0.1
78.95911	4.8
79.95746	3.6
80.96512	0.1
85.02927	0.1
88.98787	0.1
96.96022	100.0
96.96911	6.2
97.95960	0.4
116.92892	0.2
121.02945	0.1
123.00922	0.2
125.02478	0.2
126.90429	0.1
135.29398	0.1
165.05551	0.1
169.01463	0.3
209.11859	0.4
265.07532	0.1
561.67731	0.1
578.11652	0.1
771.33093	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	770.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.4
61.98837	100.0
71.56400	0.3
80.96517	0.4
98.42022	0.2
109.08018	0.2
112.99657	0.2
160.16122	0.2
173.88176	0.2
184.14548	0.2
211.13380	1.8
212.13763	1.2
213.14069	0.6
277.21826	0.4
278.22278	0.5
279.22461	0.5
336.88086	0.2
771.40808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.2
61.98827	0.9
68.99564	0.1
69.32610	0.5
69.33039	0.3
78.95903	0.2
79.95747	3.7
80.05058	0.1
80.96533	0.2
84.82720	0.1
96.96021	100.0
97.95961	0.4
98.19869	0.2
112.98569	0.2
121.02914	0.1
122.06155	0.6
125.02451	0.1
127.60763	0.1
134.06155	0.2
150.03204	0.1
152.07210	0.9
165.05591	0.2
169.01566	0.1
188.07245	0.1
190.02403	0.1
209.11887	0.1
213.10286	0.2
223.06242	0.1
285.12442	0.4
292.65149	0.1
293.09402	0.2
293.12936	0.1
295.11063	0.2
337.08261	0.2
400.16769	0.2
406.83261	0.1
460.18805	0.2
503.16592	0.2
504.17670	0.2
518.75513	0.1
550.22217	0.3
565.24609	0.4
609.23468	0.2
641.26221	1.7
641.35986	0.1
642.26874	0.3
673.28687	1.3
674.29480	0.4
679.20587	0.2
771.33698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
70.86409	9.1
71.56808	9.7
78.95918	22.7
80.96526	9.3
83.65031	8.0
109.36520	8.3
113.58294	8.4
169.70485	9.1
209.11856	13.5
213.15060	8.9
223.79324	10.0
255.23308	14.0
277.21698	11.8
279.23279	15.9
293.21207	10.3
448.35318	9.6
769.42145	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	770.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
62.98562	0.2
71.45572	0.2
71.45930	0.2
75.46140	0.2
78.95918	0.2
80.96528	0.7
94.98100	0.2
204.49660	0.2
225.00781	0.2
269.08481	0.2
279.23450	0.3
771.39868	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.3
61.25426	0.1
61.98838	4.5
64.88041	0.1
65.92664	0.1
68.99577	0.4
70.76465	0.2
70.76801	0.2
71.01389	0.3
78.95914	5.2
79.95748	3.8
80.96540	0.4
85.02966	0.1
88.98804	0.2
96.96024	100.0
96.96916	5.8
97.95959	0.3
112.98572	0.6
113.02461	0.1
119.05086	0.1
125.02454	0.2
169.01442	0.2
187.38197	0.1
209.11925	0.6
211.13374	0.3
225.11560	0.1
265.07663	0.3
281.07007	0.2
285.04178	0.2
300.34222	0.1
300.99890	0.5
327.65997	0.1
371.20721	0.1
375.32867	0.1
377.21844	0.2
411.58209	0.1
423.73688	0.1
708.41577	0.1
768.41486	0.2
769.32935	1.1
770.33734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.0
61.98836	9.0
63.96250	2.0
69.03479	1.4
71.01394	7.8
73.02973	1.8
76.03893	0.8
78.95901	1.6
78.98608	6.6
79.95744	13.0
80.96528	75.4
84.92146	0.9
85.02975	2.8
87.00877	2.9
87.40540	0.8
87.49248	0.9
88.98802	1.3
94.98102	17.4
96.96025	14.6
97.02963	1.5
101.02465	3.3
104.86332	0.9
106.98077	2.8
109.43682	0.7
122.97604	5.1
125.02449	4.6
126.59411	1.0
127.04021	1.0
134.97603	4.3
136.99138	1.9
145.02933	1.1
148.99170	6.5
150.03183	1.3
151.97884	1.1
152.98631	6.4
164.98662	12.0
165.05666	0.9
167.00142	1.0
169.01436	3.5
169.46672	0.9
181.05069	1.0
191.81508	0.8
194.26035	0.9
206.99745	3.8
209.11864	5.4
217.01295	1.1
225.00766	24.8
239.11703	0.8
300.99881	4.7
302.00217	1.3
509.17197	2.3
541.19464	2.0
769.33307	100.0
770.33624	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	769.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84903	7.0
71.01398	1.4
74.43628	1.2
107.01392	3.3
108.02197	8.9
109.02988	2.3
112.48222	1.2
113.02439	1.8
123.00916	2.0
125.02459	57.9
126.02806	1.5
130.90991	1.2
150.98502	1.6
151.00417	1.9
152.01173	6.7
153.01915	4.2
168.00603	2.5
169.01445	100.0
170.01738	5.1
182.77850	1.3
211.02509	7.5
249.15704	1.4
261.00607	3.6
271.04602	4.4
273.00348	1.6
274.22397	1.4
285.06223	14.8
291.04834	1.4
298.98166	1.7
300.99808	6.5
313.05603	8.1
331.06796	3.0
483.07764	64.1
484.08084	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	769.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25146	0.5
69.41486	3.7
78.10012	0.5
86.82568	0.4
95.01405	2.1
98.19904	1.1
103.25245	0.6
107.01363	0.5
109.02976	4.3
113.02488	0.5
119.05063	0.6
123.00882	5.0
123.71701	0.5
125.02473	6.7
129.03484	0.6
145.02966	2.3
147.04530	1.4
149.02522	0.8
151.04002	0.7
153.01958	5.2
157.02951	1.4
159.04521	2.1
161.02461	0.9
163.00409	0.7
163.04045	1.5
164.04802	0.6
165.01898	0.6
166.99715	0.6
169.01448	6.2
173.02463	2.0
174.03300	0.7
175.03984	2.5
177.01929	1.5
185.02454	3.1
187.04051	0.9
189.01920	1.2
190.02719	1.4
191.03523	2.5
201.01895	4.8
203.03474	4.8
205.01404	0.9
213.02000	1.0
217.01399	1.5
219.02974	1.0
221.04611	0.7
228.00580	0.6
229.01401	8.7
230.02180	1.0
231.02991	6.5
245.00887	4.5
246.01337	0.6
247.02493	2.0
248.03226	4.5
249.04054	11.0
257.00940	5.5
258.01633	2.0
273.00568	3.1
274.01086	1.5
275.01996	22.7
276.02274	1.7
283.99600	3.7
291.01389	2.4
299.99112	3.7
300.99915	100.0
302.00262	8.7
463.05463	1.1
599.06854	1.9
617.07202	0.8
633.07159	1.2
769.09021	33.5
770.09332	7.1
787.72357	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4593
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	17.5
59.44893	0.4
60.34323	0.4
69.83843	2.0
71.01386	2.5
73.02953	0.8
80.96533	0.5
85.02957	0.9
87.00900	0.6
89.02461	1.4
97.39234	0.4
101.02464	3.0
106.46021	0.4
113.02473	1.1
119.03511	0.5
134.57446	0.4
161.04573	0.9
167.14386	0.6
179.05688	0.7
183.13902	4.9
193.12361	2.0
211.13411	88.8
212.13750	5.4
235.08244	5.2
248.81447	0.5
253.09283	7.3
259.20575	0.5
260.59439	0.4
275.20471	0.4
277.21738	100.0
278.22089	10.3
429.21161	1.3
447.22327	3.5
448.22711	1.0
513.30481	1.2
515.58368	0.4
530.90485	0.4
664.00214	0.5
767.41321	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
68.82230	0.1
70.07777	0.3
70.08196	0.4
89.52924	0.1
96.96025	0.4
117.88741	0.1
125.02431	0.1
142.38710	0.1
169.01524	0.2
173.62843	0.1
180.07513	0.1
185.28308	0.1
195.95782	0.1
266.84058	0.1
510.79727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.0743
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96376	0.3
63.78214	0.3
71.01372	0.5
71.56923	0.4
74.07692	0.2
77.93683	0.3
85.02895	0.4
95.01363	0.4
101.07758	0.3
113.02455	0.7
117.03454	0.6
123.00873	1.1
125.02461	2.2
129.03485	0.3
133.02928	0.3
145.02985	1.4
151.00371	0.7
157.02977	0.7
161.02432	0.4
163.04044	0.8
166.99884	0.6
168.00601	0.3
169.01454	2.7
173.02463	1.5
185.02463	2.2
189.02010	0.3
191.03542	0.8
201.01944	2.3
213.01958	0.3
214.99886	0.3
216.00565	0.3
217.01442	0.7
223.02402	0.3
226.99879	0.5
229.01428	3.9
245.00882	1.8
247.02444	0.6
254.99368	0.4
257.01001	1.8
273.00421	1.4
275.01907	0.5
283.99615	2.8
285.00131	0.4
286.98212	0.4
295.04587	0.8
298.98380	0.5
299.99081	3.0
300.99905	100.0
302.00238	6.5
303.00131	0.3
313.05750	1.6
316.99570	0.4
421.10947	0.4
462.53253	0.3
465.06415	9.2
466.07108	1.2
483.03128	0.3
486.56415	0.3
581.05939	0.6
694.79095	0.3
779.49261	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94091	0.2
59.01382	0.3
60.99324	0.2
61.98837	100.0
65.46062	0.2
70.85040	0.2
70.85369	0.3
71.01407	0.2
75.00895	0.2
88.98827	1.1
94.05024	0.2
96.96021	1.7
108.36993	0.2
110.20396	0.2
114.57460	0.2
114.58693	0.2
116.92860	0.4
147.22934	0.2
149.45102	0.2
165.05658	0.2
169.01468	0.2
209.11823	0.3
275.02075	0.2
301.00137	0.3
471.78366	0.2
567.60254	0.2
763.19666	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.356
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24296	0.3
59.01368	0.3
60.78053	0.2
60.99313	18.5
61.98824	1.0
71.01420	0.3
74.94611	0.2
87.00881	0.7
88.00419	2.1
88.98817	100.0
89.02454	9.1
89.99139	1.3
95.49741	0.2
98.20706	0.4
141.21617	0.2
152.16922	0.2
180.86234	0.2
277.21777	0.6
320.84702	0.3
354.32336	0.2
397.13425	1.0
661.18951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
70.19786	0.3
96.96004	1.2
120.99667	0.3
125.02454	0.6
129.03479	0.4
138.80147	0.3
145.02998	0.8
149.02440	0.7
151.00441	0.5
157.02974	0.7
158.92146	0.2
163.04010	0.5
169.01436	0.8
173.02438	1.1
185.02428	2.1
186.02863	0.3
191.03421	0.3
199.18127	0.3
201.01990	2.0
217.01416	0.5
226.99825	0.6
228.00656	0.3
229.01456	3.7
230.01753	0.4
245.00926	1.7
254.99300	0.4
257.00961	1.1
273.00522	0.3
283.99643	3.0
299.99197	2.5
300.02820	1.2
300.99927	100.0
301.03317	6.0
302.00259	7.6
302.03690	0.5
310.40659	0.3
326.21805	0.3
374.10840	0.3
463.08969	6.1
464.09027	0.8
787.36951	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.095
Annotation	Unknow
Peak:m/z	Relative Intensity
69.60223	1.1
95.37585	0.2
102.59263	0.2
129.03482	0.3
133.03021	0.3
145.02992	1.2
147.04591	0.3
149.97609	0.2
157.02928	0.8
161.02466	0.2
163.04005	0.4
173.02417	1.4
185.02461	2.4
189.01958	0.3
199.00504	0.2
200.01169	0.2
201.01967	2.2
216.44072	0.2
217.01414	0.4
226.99950	0.6
228.00531	0.4
229.01431	3.6
240.00644	0.2
245.00876	1.7
246.01233	0.2
257.00964	1.5
273.00558	0.3
283.99664	2.9
299.99161	2.7
300.02591	0.5
300.99911	100.0
302.00250	7.2
363.82700	0.2
405.68860	0.2
463.08817	0.6
549.69879	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05730	0.4
59.01384	2.2
65.58500	0.4
70.59324	0.4
71.01392	1.2
73.02951	0.5
85.02948	0.6
89.02448	0.8
93.03452	0.4
95.01381	0.6
96.96066	0.4
98.20688	0.8
101.02433	0.6
105.03501	0.4
109.12357	0.4
113.02402	0.5
117.03467	0.7
119.05058	0.7
123.00917	1.3
125.02460	2.4
129.03452	0.4
131.05025	0.5
132.02176	0.5
133.02954	1.3
135.04555	0.6
145.02963	3.1
147.00925	0.4
147.04565	2.1
157.02962	1.4
159.04550	1.5
161.02423	1.2
163.04021	2.3
169.01465	2.4
171.00938	0.4
172.01685	1.6
173.02440	4.2
174.03162	0.6
175.04019	3.1
177.01839	0.7
185.02402	3.1
187.04031	0.5
189.01900	1.0
190.02682	0.7
191.03539	2.5
192.03973	0.5
200.01201	2.0
201.01941	7.6
202.02570	1.0
203.03519	6.8
205.01462	1.0
213.01982	1.8
214.02664	0.7
216.00620	0.4
217.01434	1.1
219.03011	1.9
226.99921	0.7
228.00620	1.0
229.01439	17.4
230.02052	2.6
231.02974	6.1
232.03322	0.8
243.02936	0.5
245.00859	2.4
247.02451	2.6
248.03143	1.1
249.04047	2.8
257.00928	12.6
258.01694	5.8
273.00394	2.2
274.01083	1.9
275.01993	100.0
276.02310	8.0
283.99710	0.9
299.99161	4.5
300.99908	56.3
302.00217	4.2
315.01431	0.5
319.00974	5.2
319.13870	1.0
320.01355	0.5
379.16119	1.3
401.05197	0.6
419.06226	0.5
445.04166	4.5
446.04568	0.6
463.05078	2.5
468.55417	0.4
597.06152	0.6
677.07251	0.5
721.06317	2.2
722.07037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07413	11.1
57.41684	11.3
58.59546	9.5
59.01403	9.7
61.98829	14.9
69.47113	28.9
69.47528	44.4
70.77283	9.4
80.17413	10.7
80.96507	10.7
116.29687	11.2
118.02275	10.2
171.59247	10.7
209.11852	75.3
221.50961	10.2
227.12868	15.8
277.21716	20.2
281.24893	100.0
282.25357	17.2
373.17062	11.7
560.68420	11.7
734.40826	14.3
763.42517	20.6
764.44110	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	764.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66948	0.9
59.01388	17.7
69.09153	0.9
70.57206	2.3
70.57539	1.3
78.95914	23.9
80.02670	1.9
81.03454	2.0
83.01392	1.5
83.05042	8.3
84.02185	2.2
95.02833	1.1
95.05035	1.8
96.96038	1.9
104.07407	1.1
112.31742	1.1
125.00104	1.8
125.09708	2.5
127.55813	1.1
135.08238	1.6
152.99628	3.1
163.11320	7.2
165.12898	4.3
166.31917	1.0
168.04306	6.5
171.66150	1.4
191.10777	2.9
209.11847	98.3
210.12218	6.7
223.13396	3.5
224.06934	5.3
226.12144	1.2
227.12907	13.5
228.13324	1.7
241.14455	16.1
255.23320	77.5
256.23764	5.5
277.21680	1.9
353.84708	1.3
462.29800	1.9
480.30997	4.7
619.36041	2.3
646.39948	1.2
690.43542	100.0
691.43939	22.2
704.45245	7.4
785.44562	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64532	1.2
59.01384	1.4
63.96227	2.1
69.96807	4.6
71.01392	9.4
73.02938	2.7
78.24683	1.2
78.98606	7.6
79.95745	14.3
80.96528	83.6
85.02955	3.0
87.00883	3.3
94.98098	21.5
96.96023	1.7
97.02981	1.4
101.02431	1.7
106.98116	2.7
122.97565	4.0
125.02438	3.5
127.04062	1.3
134.97604	5.8
148.99200	5.7
152.98624	7.4
164.98660	14.5
170.39027	1.4
188.22212	1.3
192.41643	1.2
206.99785	2.9
207.10275	1.3
209.07916	1.5
225.00772	25.4
255.23363	2.6
282.39752	1.3
353.38504	1.3
507.15378	3.2
732.28107	1.2
763.39514	100.0
764.39514	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
60.99313	17.9
61.98830	0.9
68.99574	0.9
71.01380	0.3
72.99313	0.2
78.95895	0.3
79.95729	0.3
87.00899	0.5
87.71556	0.2
88.00410	0.8
88.98816	100.0
89.02451	2.6
89.99155	1.0
95.21920	0.2
96.96022	4.5
98.86071	0.2
101.02444	0.3
112.98572	1.0
113.47201	0.2
119.05016	0.3
124.22716	0.2
125.02418	0.6
163.11343	0.3
169.01465	0.7
171.10338	0.9
180.53883	0.2
209.11838	1.9
211.13449	1.4
227.12885	0.5
229.05431	0.3
285.04166	0.2
300.99966	0.5
397.13617	0.3
425.37961	0.2
539.21368	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.4
66.77776	0.1
69.07645	0.1
71.01381	0.2
71.57919	0.1
78.95916	7.6
79.95747	3.2
80.51639	0.1
82.55357	0.1
88.98803	0.1
89.82034	0.1
94.95976	0.1
95.01403	0.1
96.96027	100.0
96.96928	9.6
97.95957	0.4
107.03342	0.1
116.92822	0.1
123.00909	0.1
125.02464	1.0
127.18890	0.1
134.29276	0.1
139.00461	0.2
150.03304	0.1
169.01448	1.0
185.64503	0.1
195.37090	0.1
205.01305	0.1
285.04282	0.1
289.07620	0.1
300.11655	0.1
300.99860	0.7
324.77069	0.1
417.58337	0.1
593.19336	0.1
611.19714	0.2
669.94708	0.1
763.20068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73550	0.7
57.33777	0.6
58.00585	0.7
59.01385	8.4
71.01395	8.1
71.56688	1.0
72.99300	0.8
79.49176	0.5
79.95754	0.8
83.01420	1.1
85.02979	1.0
89.02451	5.6
95.01394	1.1
96.96029	16.1
97.02957	1.0
101.02449	4.2
104.86494	0.6
107.01410	5.7
111.00901	1.3
113.02448	2.0
119.03516	2.0
123.00923	4.6
124.01707	0.8
125.02458	37.9
126.02787	0.9
129.96117	0.6
139.00357	1.7
140.01096	0.9
151.00378	4.2
168.00688	1.7
169.01440	58.6
170.01807	2.1
189.01942	1.0
200.21931	0.6
241.03525	3.6
245.00836	1.2
247.02538	1.4
273.00336	1.9
275.01965	1.5
298.98425	1.4
300.99872	4.5
313.05688	17.3
314.06058	1.5
323.13507	24.6
324.13824	1.3
439.08844	100.0
440.09134	9.4
461.04099	0.8
518.98431	0.8
677.40857	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.0
62.96409	0.4
63.34146	0.3
63.96752	0.2
67.83021	0.3
71.01385	0.7
71.55775	0.5
78.95912	77.5
79.78147	0.2
79.95760	1.2
87.00900	0.5
89.02455	1.1
96.96045	24.8
96.96970	100.0
101.02448	1.0
113.02441	0.6
116.51494	0.3
117.16201	0.3
118.40133	0.3
119.74859	0.3
126.11293	0.3
139.29001	0.3
142.61401	0.3
179.05637	0.8
181.95964	0.3
257.01443	0.3
259.02237	1.0
341.10892	0.8
383.11917	1.4
443.14096	0.6
469.94153	0.3
485.14862	0.5
561.09833	0.7
601.13507	1.1
665.21490	4.2
666.21075	0.6
763.19208	6.5
764.19244	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85165	0.6
59.01373	1.1
70.46333	0.4
70.60133	1.6
70.60493	0.5
71.01391	0.7
78.95914	70.7
89.02448	1.4
91.83783	0.5
96.96971	100.0
101.02470	0.7
113.02449	0.6
121.01172	0.6
179.05548	0.8
257.01584	0.9
259.02301	1.2
288.27606	0.6
324.10751	0.6
383.11987	2.0
443.14429	1.0
446.07278	0.6
561.09448	1.0
601.13934	0.6
665.21552	3.8
763.19250	9.1
764.19379	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17279	0.4
68.75287	0.4
68.75664	0.4
71.57314	0.4
71.57713	0.6
105.16788	0.3
148.01773	0.5
160.01643	0.5
167.73840	0.4
188.01140	0.6
200.01218	1.0
216.00632	1.7
232.61116	0.5
242.99289	1.0
244.00114	2.0
270.98849	0.7
271.99579	0.9
281.69446	0.4
285.04056	1.5
298.98346	0.6
299.99127	100.0
300.99469	8.1
307.20175	0.4
315.01483	91.5
316.01804	7.4
371.48108	0.4
535.86401	0.5
561.36810	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
63.89760	0.4
67.29737	0.4
69.40664	2.9
104.64130	0.5
132.02058	0.5
133.02933	1.2
151.00352	0.9
160.01663	0.5
172.01691	0.5
173.89430	0.5
188.01152	0.7
200.01103	1.2
201.01974	0.5
216.00610	2.4
242.99272	1.1
244.00084	2.0
270.98755	0.9
271.99576	0.9
284.03281	0.6
285.04053	18.2
286.04385	1.8
298.98355	1.1
299.99124	100.0
300.99493	9.5
302.61041	0.4
315.01492	94.7
316.01819	8.8
447.09344	10.5
448.09842	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.74453	10.6
61.34292	7.8
61.98825	26.2
69.19615	100.0
78.95934	10.0
98.19843	19.5
100.81906	9.9
106.60547	9.7
197.11816	14.1
255.23286	11.9
277.21683	18.7
277.24707	11.0
279.40326	8.8
342.76233	9.9
387.35242	10.2
455.35217	20.6
612.31732	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	761.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07208	6.0
56.35157	5.0
61.98838	18.2
71.56872	7.9
78.61111	5.7
92.92814	5.5
94.93251	4.9
100.04154	5.8
104.12125	5.1
115.76957	5.9
135.12393	5.5
171.10446	6.0
178.44920	5.6
209.11848	59.1
211.13454	9.2
227.12944	13.1
235.08247	5.9
246.55260	5.9
253.09229	6.0
277.21790	5.9
279.23337	100.0
280.23627	9.8
761.42426	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	761.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
56.61497	0.5
59.01394	4.6
69.51112	0.9
69.51517	3.5
70.48235	0.4
71.01397	3.6
72.99297	0.5
73.02952	0.9
80.68262	0.5
83.01389	0.9
85.02973	1.4
89.02472	1.3
93.31090	0.4
95.01387	1.5
96.96004	3.7
97.02985	0.6
98.20689	0.9
101.02449	2.3
107.01399	0.9
111.00878	1.7
113.02469	1.4
113.74712	0.6
120.81434	0.5
123.00891	8.1
124.01754	0.6
125.02461	7.3
139.00398	3.2
140.01143	2.2
141.01979	1.1
149.00060	0.5
151.00412	6.6
160.85201	0.5
163.04102	0.7
163.11287	3.9
168.00662	2.9
169.01422	9.9
236.66751	0.5
258.13776	0.6
300.99957	1.2
305.06979	0.7
313.05411	0.9
373.11417	100.0
374.11789	8.9
387.16632	17.3
388.16946	2.0
605.38141	0.5
706.25043	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98826	23.1
62.26256	5.7
65.54059	5.9
70.69192	17.4
78.95904	13.1
83.74482	5.9
92.92809	6.2
128.65704	5.7
171.79646	6.7
209.11856	66.8
227.12970	12.0
235.08264	8.7
253.09521	12.5
255.23227	7.5
277.21811	7.9
279.23306	100.0
280.23758	11.9
515.32306	7.4
662.70490	6.7
761.41614	19.4
762.49384	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	761.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95156	0.3
57.31398	0.3
63.48555	0.3
77.18848	0.4
96.96011	1.2
109.02964	0.3
117.03457	0.4
119.05048	0.4
125.02475	0.9
135.46295	0.3
139.00371	0.4
145.02959	1.7
151.00369	0.4
157.02997	0.8
161.02473	0.3
163.34512	0.3
169.01453	0.9
173.02431	1.3
185.02412	2.4
186.02798	0.3
189.01924	0.4
201.01985	1.7
217.01543	0.4
226.99878	0.5
228.00774	0.3
229.01366	2.7
245.00883	1.8
257.00888	1.3
273.00299	0.6
275.01703	0.3
283.99625	2.8
285.04172	0.4
299.99164	2.7
300.99918	100.0
302.00266	7.6
341.11938	0.3
453.04181	0.4
459.19388	0.5
475.03287	0.4
752.90491	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.194
Annotation	Unknow
Peak:m/z	Relative Intensity
59.23727	0.4
69.36481	3.4
96.96021	0.5
98.97848	0.4
99.92445	0.4
117.03434	0.4
125.02457	0.6
133.02965	0.6
145.02969	1.3
149.57138	0.4
150.62230	0.4
163.03958	0.5
169.01466	0.5
173.02419	1.7
185.02504	2.3
200.01036	0.5
201.01945	2.3
226.99847	0.7
229.01439	2.9
230.98395	0.4
245.00931	1.5
257.00958	1.2
283.99643	2.2
299.99191	2.2
300.99921	100.0
302.00259	7.7
364.84341	0.4
368.39722	0.4
370.81934	0.4
567.90283	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4117
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38719	6.9
70.70884	24.8
103.41590	7.5
158.53012	9.0
199.13417	12.2
204.30464	7.4
207.10315	22.9
209.11874	37.5
218.49513	8.3
227.12885	67.6
253.09296	14.7
277.21729	100.0
278.22018	15.0
353.71646	8.4
445.20584	12.4
463.21741	23.9
496.48022	8.2
721.42188	13.5
723.42834	27.4
724.42499	11.3
759.40265	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	761.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86416	0.3
66.20511	0.2
69.28812	2.2
85.47118	0.3
96.96021	0.6
99.99369	0.2
117.03484	0.5
125.02441	1.1
129.03519	0.5
133.02965	0.4
145.02988	1.3
147.04680	0.2
157.02934	0.7
158.51003	0.2
161.02460	0.3
163.04039	0.4
165.05669	0.3
165.88223	0.3
169.01494	0.9
173.02460	1.5
185.02487	2.6
189.01988	0.4
201.01952	1.9
217.01498	0.5
226.99809	0.6
229.01463	3.7
245.00984	1.4
245.03157	0.3
257.00952	1.8
272.15970	0.3
273.00473	0.6
283.99640	2.5
299.99097	2.8
300.99911	100.0
302.00244	7.6
366.49323	0.3
459.18863	0.5
469.28638	0.3
475.53476	0.4
504.45657	0.2
577.90125	0.3
761.24738	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78484	0.4
93.03490	0.5
96.96027	2.2
109.02950	0.4
111.88721	0.4
117.03483	0.5
123.00931	0.5
125.02441	2.2
137.02412	0.7
145.02951	1.1
147.04543	0.4
157.02953	1.1
159.36696	0.4
163.04070	0.8
169.01450	2.1
173.02466	1.5
185.02443	2.8
189.02002	0.7
193.40465	0.4
195.06709	0.5
200.01088	0.5
201.01915	1.6
205.09146	0.4
217.01422	0.7
229.01398	3.5
245.00938	1.4
257.00980	2.2
273.00311	0.8
275.02109	0.5
283.99698	2.6
299.98987	2.7
300.99915	100.0
302.00217	8.3
306.70160	0.5
371.41034	0.5
425.12872	0.5
437.55801	0.5
548.71832	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	36.7
70.54210	24.2
71.57523	23.6
74.23063	20.0
75.75243	21.2
76.21268	22.6
78.95918	48.1
211.13406	100.0
251.63144	23.7
253.09186	24.7
275.02002	31.3
275.87619	28.3
293.21289	73.3
300.99789	30.7
385.83743	24.7
451.64767	22.8
655.68365	28.4
759.40106	27.9
780.58301	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	759.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	33.6
71.01385	74.2
78.95905	22.7
123.04475	15.2
138.38519	15.9
141.72029	15.1
160.80392	13.7
171.10271	51.1
172.10672	22.5
211.13431	100.0
227.12910	31.8
227.23302	17.3
229.41824	16.5
253.09363	25.7
277.21667	36.0
278.21964	37.8
293.21237	81.4
337.64685	17.0
339.78543	17.0
447.22592	22.1
453.94992	15.5
505.61850	16.2
637.12946	16.7
643.04694	20.4
759.42914	19.7
761.50464	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.7
59.40896	1.0
61.98825	1.3
68.99566	2.8
70.57542	2.2
70.57912	2.4
71.01390	100.0
72.01723	1.5
74.71160	1.0
75.76407	1.1
78.95901	1.6
83.74750	1.0
85.02962	1.2
86.51035	1.0
89.02451	2.7
97.02959	1.0
101.02462	3.2
109.06609	3.6
113.02449	1.8
120.95603	1.1
125.09739	2.3
127.11300	2.6
152.99657	1.2
153.09262	1.2
161.04614	1.9
163.11353	2.1
171.10297	72.7
172.10602	4.0
179.05458	1.0
181.12431	2.4
199.09790	6.8
199.13422	2.0
201.11337	11.5
207.10295	12.4
211.13359	1.7
215.12903	2.3
225.11359	8.5
235.08235	3.8
253.09311	11.0
277.21759	84.6
278.22107	10.9
291.19794	1.6
461.20740	1.5
713.87653	1.1
721.42017	2.0
757.44141	7.9
757.56006	1.5
758.43671	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	757.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	7.1
61.98838	12.9
67.88708	2.0
69.39904	16.9
78.95909	4.9
79.95752	4.1
80.91671	2.5
82.95433	7.6
85.02953	3.1
96.96024	100.0
96.96980	5.9
98.95605	36.2
98.96437	6.3
101.46824	2.0
116.92884	2.2
169.01440	3.0
209.11745	19.3
210.12097	3.3
211.13397	27.1
215.46107	2.7
227.12842	5.0
239.94652	2.3
253.09407	2.6
300.99817	4.6
327.21786	5.3
445.20773	2.6
447.22662	4.0
478.01556	2.2
639.33966	4.3
757.37885	10.0
758.37451	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	757.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	15.0
61.98858	21.9
63.46776	8.5
68.89091	9.4
70.70380	28.1
70.70789	9.0
83.39186	9.0
97.02990	10.2
106.50509	9.1
116.92894	13.1
171.10286	13.4
207.10352	53.4
225.11317	45.1
277.21735	100.0
278.22174	14.8
435.57620	10.6
461.20154	33.7
593.42792	10.5
721.41711	40.0
757.40009	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	756.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05449	0.2
56.93526	0.2
61.98837	100.0
64.03683	0.2
71.46500	0.4
76.98781	0.2
81.77208	0.2
93.54807	0.2
95.37518	0.2
95.52389	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.343
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41946	2.3
59.01386	14.0
60.80497	2.3
61.98838	56.1
68.99577	2.0
71.01396	19.1
71.57520	2.2
73.02964	3.4
78.31181	2.0
78.95904	2.8
79.95750	2.4
80.96570	2.8
81.03442	3.3
82.95427	16.0
83.05038	5.7
84.95152	3.5
85.02980	3.1
88.98818	9.9
89.02438	3.8
93.03445	2.7
96.75747	2.0
96.96020	55.6
96.96964	3.4
97.02939	4.4
98.95590	5.1
99.00920	5.7
101.02431	7.9
105.01959	4.3
109.06612	10.1
111.47993	2.1
113.02480	4.0
116.05425	2.3
125.02425	3.2
145.02916	4.0
161.04599	7.5
161.09734	7.5
163.11310	12.0
169.01457	4.6
171.10258	6.7
179.10808	3.1
181.12276	6.1
185.11783	3.5
193.22371	2.1
199.13449	3.9
207.10303	36.4
208.10606	4.5
209.11844	100.0
210.12151	7.3
225.11353	28.4
226.11707	2.6
227.12895	19.5
235.08214	4.4
243.12502	3.3
253.09332	12.2
285.04117	10.8
287.15045	2.4
300.99872	9.3
305.16132	3.5
387.45700	2.7
404.90045	2.1
417.22812	2.2
461.20349	9.5
479.21185	4.8
489.15512	2.4
635.30225	5.7
653.31653	7.0
654.31580	3.0
655.10364	2.3
671.32733	13.6
672.33368	3.8
689.34180	7.8
721.37030	2.7
757.31372	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	755.4596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31439	0.8
59.01373	3.0
61.98817	1.2
67.17763	0.6
71.01390	3.7
71.57243	1.0
73.02942	1.4
78.95909	0.7
81.03447	1.0
83.05022	4.1
84.02166	0.8
85.86679	0.7
87.00889	1.1
89.02448	2.3
101.02453	1.7
113.02431	1.0
125.06023	0.7
149.13463	0.7
152.99623	0.9
160.96843	0.7
161.04619	1.1
163.11333	2.7
165.12886	2.2
186.41063	0.6
191.10869	0.8
209.11858	100.0
210.12148	5.6
221.34177	0.6
227.12910	11.3
235.08272	3.1
235.54666	0.7
243.01160	0.7
253.09303	8.7
259.15506	2.9
277.21753	64.0
278.22086	6.8
279.23373	0.8
284.61328	0.8
286.56049	0.9
398.22571	0.7
445.20834	1.2
498.69888	1.0
575.34454	0.7
646.11420	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4223
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.3
58.00598	0.4
59.01388	3.4
61.98830	2.0
68.99552	0.5
69.03431	0.4
71.01385	3.0
71.56512	0.4
73.02940	0.7
77.07642	0.3
78.95892	0.4
79.95724	0.4
80.02682	1.3
80.96547	0.6
81.03482	1.1
83.01406	0.4
83.05035	4.3
83.96125	0.3
84.02169	0.4
85.02957	1.0
87.00874	0.9
88.03961	0.2
89.02457	1.6
95.01377	0.4
95.05035	0.6
96.96021	7.9
96.96980	0.6
97.02980	0.4
97.06551	0.4
98.95599	2.8
98.96411	0.5
101.02444	2.6
101.03520	0.2
109.06579	0.4
111.08172	3.8
112.98576	0.4
113.02460	1.6
113.70451	0.3
119.03531	0.5
121.02951	0.3
125.06110	0.6
125.09666	0.3
127.00165	0.2
135.08163	0.6
141.09033	0.3
143.03526	0.4
145.05038	0.4
147.11850	0.3
153.12874	0.6
161.04547	1.0
163.11292	3.9
164.11662	0.3
165.12860	2.5
168.43671	0.2
169.12355	1.6
171.10258	1.5
179.10834	0.4
181.12340	1.3
183.13916	1.0
191.10764	0.7
193.12329	0.3
197.11842	18.4
198.12140	1.0
199.13362	1.2
207.10271	0.8
209.11838	100.0
210.12190	7.1
211.13417	6.5
212.13817	0.5
225.11363	0.8
225.14914	0.4
227.12894	11.8
228.13216	1.1
235.08234	3.7
239.12860	1.0
253.09296	10.2
254.09720	0.6
263.20111	1.0
265.17917	0.5
273.18600	0.5
291.16635	0.5
291.19681	6.3
292.19971	0.6
293.21201	1.2
300.99619	0.3
309.20724	21.8
310.21063	2.2
310.37009	0.2
321.93579	0.2
337.80341	0.3
445.20685	1.3
463.21835	0.3
487.33890	0.3
501.32095	0.4
573.85687	0.3
650.52869	0.3
755.34363	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65211	54.7
65.82214	56.9
94.87825	48.2
97.53209	53.0
98.19830	92.2
116.81189	48.7
164.77411	58.3
178.24815	48.3
223.13364	83.4
226.47832	50.6
277.21628	100.0
282.73740	52.3
321.40634	54.1
356.85779	61.2
386.27606	67.5
576.84711	65.0
678.64557	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99812	0.3
57.03463	0.4
58.00591	0.6
59.01386	4.7
61.98843	0.5
62.07461	0.3
65.42453	0.3
69.03469	0.6
71.01391	3.6
72.99313	0.4
73.02964	0.8
80.02683	1.1
81.03476	1.3
83.01390	0.5
83.05035	5.1
84.02175	0.7
85.02969	0.9
87.00881	0.9
89.02463	2.1
95.01430	0.3
95.05042	0.5
96.96031	1.1
101.02449	3.0
109.06600	0.9
111.08173	5.4
113.02456	1.5
118.80726	0.3
119.03490	0.8
119.32220	0.3
125.06070	0.6
125.09794	0.4
127.07686	0.5
135.08162	0.5
143.03473	0.3
151.11319	0.3
153.12845	0.3
161.04597	1.2
163.11356	2.6
165.12857	2.2
169.12384	2.5
171.10243	0.8
179.05626	0.5
181.12360	1.2
183.13936	0.5
191.10730	0.8
193.12315	0.4
197.11853	28.5
198.12183	1.5
199.13422	2.0
209.11853	100.0
210.12198	5.6
211.13417	5.5
227.12906	12.6
228.13348	0.6
235.08252	2.7
241.03999	0.3
246.13759	0.3
253.09322	14.1
254.09688	0.8
263.20187	2.0
265.17984	0.8
273.18597	0.6
280.75394	0.3
291.19687	10.5
292.20090	0.9
309.20746	36.9
310.21176	4.0
325.20212	0.5
445.20694	0.4
527.29083	0.5
545.29669	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86441	0.2
56.40171	0.2
59.01380	0.9
60.99312	17.4
61.98824	0.8
63.63769	0.2
63.82464	0.2
69.26373	0.2
71.01395	0.6
71.57621	0.2
78.16167	0.2
79.95763	0.4
80.96526	1.2
85.02953	0.2
87.00877	0.8
88.00414	1.0
88.98815	100.0
89.02449	6.0
89.99149	1.1
93.03466	0.3
96.96031	1.9
101.02460	0.2
115.80878	0.3
119.05041	0.6
121.02927	0.5
123.00917	0.4
125.02467	3.2
126.02751	0.3
137.02473	0.7
145.02975	0.4
150.03256	0.3
151.00380	0.2
163.04044	0.5
165.01941	0.3
168.00594	0.3
169.01437	4.1
179.10899	0.3
205.05095	0.5
225.00912	0.4
285.04080	1.3
300.99768	1.3
337.01971	0.8
347.16608	0.2
387.16696	0.4
462.89355	0.3
492.05261	0.3
549.26898	0.4
593.25983	0.5
604.12524	0.3
755.32684	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98837	4.6
63.99274	0.1
71.01381	0.3
78.95914	5.2
79.95748	3.5
80.96517	0.4
84.02202	0.2
96.96023	100.0
96.96917	5.9
97.95953	0.4
98.95634	0.2
116.92061	0.2
116.92863	1.3
117.92915	0.2
125.02477	0.2
143.37003	0.1
146.05066	0.1
169.01369	0.2
169.08986	0.1
197.11888	0.3
209.11859	2.0
210.12233	0.2
211.13428	0.6
211.25555	0.2
226.11111	0.1
227.12943	0.3
228.59830	0.1
253.09247	0.3
265.07565	0.2
293.26349	0.1
300.99979	0.3
309.10223	0.2
309.20795	0.6
428.49829	0.2
485.17267	0.3
755.35217	0.2
756.33734	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.7
67.01899	1.3
68.99821	0.8
69.03461	2.1
69.35822	4.9
71.01394	2.4
72.79759	0.6
72.99322	0.8
79.01900	1.4
79.62554	0.5
81.03476	0.7
83.01409	0.6
84.78188	0.6
85.02953	1.4
87.00861	0.6
93.03469	15.6
94.03800	0.7
95.01408	4.1
96.58751	0.7
96.96021	3.2
97.02970	2.8
99.00890	0.6
101.02480	1.3
107.01411	4.8
107.05115	0.7
109.02989	0.9
111.00912	2.9
113.02475	1.9
117.03432	0.7
121.02961	1.0
123.00909	13.9
124.01720	1.9
125.02463	76.5
126.02794	2.4
127.00412	0.8
133.02989	1.2
135.04552	1.1
136.98817	1.0
137.02463	30.8
139.00372	4.9
140.01180	2.5
141.01950	0.9
143.03482	1.1
145.02945	2.2
149.02461	1.0
151.00394	3.3
151.04019	0.9
153.01996	1.3
161.02408	3.4
163.03989	1.4
165.01945	2.0
166.99870	3.9
168.00673	4.9
169.01443	100.0
170.01753	2.5
173.02454	0.6
175.04027	0.7
177.01955	1.2
179.03505	8.4
181.01454	0.8
187.03979	0.7
190.02740	0.9
191.03535	1.8
192.04111	0.7
193.01402	3.9
205.01416	1.5
205.05151	1.2
207.03027	1.2
209.04561	1.5
221.00906	1.3
229.74103	0.7
233.04469	1.5
235.02481	1.8
243.66896	0.6
251.05800	0.6
263.05670	0.7
281.06625	1.8
285.04156	2.9
295.04514	2.7
300.99829	1.5
313.05630	1.7
326.86084	0.6
415.06723	4.3
433.07788	26.5
434.08008	3.1
437.09775	0.7
510.97803	0.7
541.09912	10.5
542.10431	1.5
585.08923	53.6
586.09186	8.6
593.12909	2.6
603.09900	8.7
604.10236	1.5
755.11066	21.5
756.11169	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	755.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27922	0.5
57.60397	0.4
62.38522	0.4
62.38858	0.4
66.91953	0.4
70.73428	0.4
71.01372	0.4
71.56200	0.9
75.21648	0.4
85.15156	0.4
92.91889	0.4
95.01398	1.2
96.96037	0.5
107.55579	0.4
117.03494	0.7
119.05025	1.2
123.00895	1.6
125.02456	2.5
131.04994	1.0
133.02998	0.6
135.04506	1.0
137.02531	0.4
143.05153	0.4
145.02950	2.2
147.04541	3.0
158.03755	0.5
159.04504	1.2
161.02446	1.6
163.04068	1.9
169.01437	0.7
173.02441	3.3
174.03302	0.6
175.04034	3.8
176.04364	0.4
177.01926	1.4
185.02432	0.6
189.01978	1.5
190.02727	1.8
191.03505	9.8
201.01994	1.3
203.03539	4.5
204.03763	0.4
205.01468	0.6
213.01979	0.5
217.01459	4.7
218.01973	0.7
219.03014	5.4
221.04709	0.5
229.01483	1.0
231.03006	4.6
244.00160	0.5
245.00925	6.1
246.01468	0.8
247.02490	100.0
248.02837	6.5
249.04044	10.2
250.04416	0.8
257.00964	0.7
273.00430	16.2
274.00833	1.3
275.01990	2.1
283.99728	0.6
291.01492	51.6
292.01791	4.0
299.99011	1.5
300.99927	12.8
302.00513	0.9
312.86893	0.5
333.02582	1.2
363.03534	1.3
393.04843	2.5
417.04541	1.4
435.05792	0.6
446.70602	0.4
453.06696	7.3
453.12329	0.7
454.06891	0.9
463.05399	2.0
483.72580	0.4
509.97147	0.4
608.84930	0.6
755.07404	2.9
756.07642	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
69.85109	2.3
73.30029	0.4
79.02655	0.4
95.01379	1.0
95.67462	0.4
115.17600	0.5
117.03448	0.5
119.05063	1.1
121.02979	0.7
123.00880	1.7
123.07280	0.5
124.01658	0.5
125.02477	3.1
131.05060	0.6
133.02991	1.1
135.04514	0.7
145.02940	2.2
147.04491	2.6
159.04556	1.4
161.02463	1.7
163.04027	2.0
169.01448	0.6
173.02431	2.0
175.03972	2.8
177.01942	1.1
185.02458	0.7
189.01952	2.1
190.02753	2.1
191.03540	9.7
201.01945	1.8
202.99902	0.5
203.03546	4.6
205.01390	0.8
216.00728	0.6
217.01431	5.8
218.01994	1.0
219.03015	4.5
220.03242	0.5
221.04512	0.7
229.01477	1.2
231.03004	4.6
245.00923	6.6
246.01485	1.4
247.02490	100.0
248.02855	5.7
249.04042	9.3
257.00769	0.6
273.00433	15.1
274.00827	0.7
275.02057	1.8
291.01495	52.5
292.01855	3.5
299.99133	0.8
300.99921	13.3
301.03415	0.8
302.00223	0.9
333.02594	0.8
363.03754	1.2
393.04749	2.0
417.04623	1.7
453.06604	5.6
454.06976	0.5
463.05356	1.5
567.11206	0.5
755.07306	2.7
756.07587	1.0
775.03424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.0903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47052	0.2
60.90753	0.2
69.29418	1.6
71.42130	0.2
85.65083	0.2
90.56171	0.2
98.19927	0.4
108.02184	0.2
109.37595	0.2
117.03492	0.3
125.02438	0.7
129.03520	0.3
138.01985	1.1
145.02959	1.2
147.04588	0.2
157.02971	0.7
163.04030	0.3
169.01419	0.8
173.01196	0.2
173.02406	1.2
185.01189	0.2
185.02496	2.4
189.02026	0.4
199.00392	0.3
201.01941	2.0
217.01469	0.4
226.99864	0.4
228.00536	0.3
229.01451	3.3
230.01787	0.3
240.00627	0.2
244.00237	0.3
245.00969	1.3
254.99414	0.3
257.00949	1.5
273.00415	0.4
283.99673	3.1
284.99847	0.2
299.99155	2.7
300.99915	100.0
302.00272	7.9
313.05731	0.6
452.08365	0.6
723.06378	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05052	0.5
54.44679	0.5
59.01385	19.0
61.98831	4.1
62.45001	0.6
69.90143	2.8
71.01379	3.0
85.02988	0.7
89.02458	2.3
92.76289	0.6
93.28677	0.5
95.16292	0.6
98.19911	0.8
101.02451	2.3
111.73161	0.6
113.02464	1.4
115.35314	0.6
119.03539	0.7
135.87294	0.6
136.58653	0.5
143.03499	0.6
153.12856	1.3
161.04546	1.5
164.39149	0.8
169.12355	4.9
180.25961	0.6
197.11848	98.1
198.12189	6.2
211.13531	0.7
235.08171	4.5
253.09294	7.8
277.21747	100.0
278.22095	9.8
323.33633	0.7
344.61267	0.7
365.49103	0.6
412.52429	0.6
415.19806	1.7
433.20740	3.8
513.30811	1.3
555.02484	0.7
753.39886	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73631	0.5
57.03442	1.0
58.26938	0.5
59.01387	7.2
61.98840	5.5
69.03468	1.0
71.01402	4.7
73.02950	1.1
78.91884	0.8
78.95889	1.0
80.02686	1.3
80.22586	0.5
81.03468	2.3
83.01390	1.8
83.05037	5.2
83.40179	0.5
84.02170	0.8
85.02969	0.9
87.00893	1.5
87.04452	0.5
89.02464	2.1
95.05022	1.4
96.95480	0.6
96.95993	2.7
96.96970	0.6
97.02969	1.8
97.06602	1.6
99.00936	0.6
101.02446	4.0
105.70103	0.6
106.50397	0.5
107.05027	0.5
109.06607	8.2
111.08173	1.7
113.02465	2.0
119.03474	1.0
121.06615	1.0
123.04537	1.1
123.08173	0.7
125.02457	0.9
125.06162	0.6
125.09757	2.9
133.05113	0.6
135.08151	2.1
137.09714	1.3
142.02652	0.5
153.58295	0.5
161.04558	1.9
161.09770	0.9
163.11313	10.2
165.12863	3.2
167.10808	0.6
169.01451	0.7
169.12396	0.8
171.10324	2.5
177.12964	0.6
181.12361	2.5
185.11856	1.9
191.10808	1.7
191.14404	2.6
197.11844	7.4
203.10843	0.5
207.08344	1.1
207.10283	19.2
208.10564	0.9
209.11853	100.0
210.12178	6.2
211.13338	2.8
217.15932	0.8
225.11348	8.1
226.11729	0.8
227.12891	11.1
229.12236	0.5
235.08226	3.8
245.19093	5.0
253.09332	13.6
254.09758	0.7
263.20251	2.0
271.17108	0.7
273.00311	0.9
289.18130	21.7
290.18460	2.0
291.19781	3.1
300.99731	1.0
307.19177	20.5
308.19424	1.4
309.20782	8.4
310.21045	0.8
327.19794	0.7
401.23331	1.2
419.24414	0.9
432.69449	0.5
443.18942	0.8
461.20267	2.9
499.30688	0.9
563.94904	0.5
637.32544	1.1
655.32928	0.6
735.40540	1.6
753.40643	7.4
754.41095	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	753.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	0.7
57.03457	1.1
58.00592	1.0
59.01382	8.4
61.98834	6.5
69.03484	0.8
69.30605	6.3
71.01383	7.4
73.02942	2.1
75.00882	10.1
78.91872	1.1
80.02665	1.4
81.03471	2.3
83.01397	2.0
83.05021	7.3
85.02951	2.5
87.00891	1.3
89.02454	5.0
95.01391	1.0
95.05044	1.6
96.96018	1.3
97.02980	4.1
97.06598	2.9
101.02447	6.3
109.06593	16.5
110.03742	1.0
111.00835	0.9
111.08167	5.2
113.02464	2.9
113.49348	0.8
119.03542	0.9
120.15598	0.8
121.06658	0.8
123.04533	2.3
123.08216	1.3
125.02432	2.0
125.06124	1.1
125.09747	2.1
135.08215	2.3
136.05330	1.5
137.09714	2.0
142.02669	0.9
145.05136	0.9
147.08205	1.0
151.11278	1.0
161.04526	1.8
161.09760	2.3
163.11288	14.3
165.12834	3.1
169.01482	1.9
169.12344	1.9
171.10316	1.9
179.10841	1.1
181.12364	4.5
185.11815	1.8
188.71687	0.8
189.09206	1.1
191.10809	1.9
191.14441	2.7
197.11858	19.5
199.13403	1.5
207.10277	43.0
208.10612	2.4
209.11836	100.0
210.12155	5.6
211.13438	6.3
217.01358	0.9
225.11336	17.0
227.12897	12.7
235.08221	5.4
237.11227	1.1
245.19138	6.0
253.09302	18.0
263.20258	5.0
271.16943	1.1
289.18103	25.4
290.18460	3.0
291.19684	5.9
292.20007	1.0
301.00018	1.3
307.19165	27.0
308.19458	2.9
309.20700	24.1
310.21011	2.2
419.24130	1.4
443.19235	2.1
445.20978	1.5
454.54260	0.9
461.20313	4.7
499.30948	1.5
543.28320	1.7
633.07477	1.0
735.39862	1.8
736.40521	1.0
753.40680	17.0
754.40540	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	753.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93423	0.9
59.01378	2.8
61.76729	0.9
61.98836	100.0
62.98550	1.2
68.99564	1.6
69.83465	5.8
71.01382	4.5
72.99306	1.2
73.02958	1.1
78.91925	1.2
78.95908	2.0
78.98616	1.9
79.95730	5.0
80.96521	23.3
82.95425	2.4
85.02950	1.7
88.98830	1.9
89.02421	1.7
94.98077	6.2
96.96024	23.3
96.96661	1.5
96.96969	3.6
101.02441	2.4
109.06591	1.3
112.98525	2.4
125.02454	2.6
148.99068	2.2
151.02003	1.0
152.98651	1.6
163.11241	1.6
164.98608	3.7
169.01425	3.3
171.10243	1.2
206.99649	2.0
207.10231	5.9
209.11844	12.3
211.13382	2.7
225.00703	6.0
225.11331	2.9
227.12869	1.7
235.08264	1.6
239.12930	2.2
253.09335	2.4
271.15594	1.3
273.17188	6.7
300.99982	2.4
531.34076	0.9
531.36237	1.0
717.37146	3.3
718.36725	1.5
753.33704	37.7
754.34259	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	753.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.7
61.98840	0.9
62.79832	0.4
65.00317	1.2
69.26076	0.8
69.26491	2.8
71.01372	0.5
78.95908	0.4
81.62231	0.3
83.01386	0.4
88.98820	3.3
92.47203	0.3
96.96040	2.5
98.20617	0.7
99.98579	0.4
107.01395	2.2
113.02493	0.3
119.05009	0.5
121.03007	0.8
123.00911	0.8
125.02460	2.1
133.02969	12.3
135.04472	0.8
137.02470	0.7
143.14275	0.4
145.02948	0.7
148.94176	0.3
149.02441	1.7
150.03210	0.5
151.00374	4.7
161.02455	7.5
162.02913	0.4
165.04222	0.4
165.05592	0.4
166.02721	0.6
169.01425	3.2
171.04547	0.6
175.03993	3.2
179.03534	0.5
179.10828	0.4
184.54752	0.4
189.02003	0.3
199.03993	1.9
201.01927	0.8
203.03508	0.4
213.05493	0.5
217.05087	1.7
241.05144	0.6
243.03143	0.6
257.04510	0.6
285.04071	100.0
286.04413	8.7
301.00006	2.2
307.08179	0.5
326.74982	0.4
467.19260	6.4
468.19397	0.7
591.27856	1.0
753.11542	0.7
753.30780	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
73.58579	0.2
74.67068	0.1
84.28602	0.2
117.03494	0.2
124.19598	0.1
129.03479	0.5
133.02998	0.3
133.29428	0.1
145.02957	1.0
147.04517	0.2
157.02954	0.6
163.04004	0.4
169.01485	0.2
172.83420	0.2
173.02448	1.7
183.00873	0.1
185.02448	2.3
186.02733	0.2
189.01964	0.5
191.03479	0.2
200.01103	0.3
201.01956	2.0
213.01994	0.4
217.01410	0.4
226.99930	0.6
228.00635	0.3
229.01433	3.6
230.01755	0.3
244.00009	0.2
245.00923	1.5
254.99408	0.3
257.00934	1.5
258.01288	0.2
273.00342	0.3
283.99680	2.9
284.02954	0.3
285.00073	0.4
285.03955	0.4
299.99161	2.4
300.99908	100.0
302.00250	8.3
325.87851	0.2
340.92865	0.2
447.09253	0.3
451.85800	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68927	0.2
61.12679	0.3
61.98837	100.0
71.13486	0.5
78.95934	0.6
83.05073	0.3
88.98832	0.8
96.96021	1.0
115.46333	0.2
146.96736	0.3
161.78452	0.3
197.11946	0.5
207.10243	0.5
209.11832	1.4
211.13457	1.2
225.11497	0.3
275.01767	0.3
301.00000	0.9
302.00299	0.3
311.22192	0.6
482.36685	0.3
750.42511	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06363	0.3
74.96089	0.3
98.20733	0.6
129.03473	0.7
133.02960	0.4
145.02939	1.1
146.51595	0.3
150.03268	0.4
157.02988	0.7
167.12952	0.3
173.02428	1.3
185.02441	2.6
201.01918	2.1
213.02042	0.6
217.01605	0.6
226.99911	0.6
229.01450	3.6
245.00916	1.4
250.46385	0.3
254.99258	0.6
257.01041	1.5
282.88391	0.3
283.99628	2.9
285.04022	2.8
299.99182	2.6
300.99905	100.0
302.00290	8.3
398.15854	0.4
447.09238	1.7
584.95154	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
62.47348	0.2
64.66780	0.2
68.12438	0.2
69.35264	1.8
102.04594	0.2
117.03443	0.3
121.21286	0.3
122.18122	0.2
132.27724	0.2
145.02959	0.7
147.04543	0.3
157.02959	0.5
161.02486	0.3
173.02406	1.2
185.02435	2.5
189.01917	0.4
199.00456	0.3
201.01944	1.8
217.01427	0.5
223.29939	0.2
224.31189	0.3
226.99907	0.5
229.01401	3.1
242.47461	0.3
244.00137	0.3
245.00859	1.3
254.99382	0.4
257.00906	1.5
283.99570	2.7
299.99097	2.0
300.99908	100.0
302.00253	8.3
392.77405	0.3
518.78552	0.3
586.55261	0.3
708.42755	0.2
747.63983	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40364	1.4
59.01382	17.8
61.98840	9.2
69.28161	3.1
69.28580	10.6
71.01397	5.9
72.99314	3.8
73.02957	1.9
78.95913	4.6
81.74499	1.4
83.01399	1.3
83.05059	3.4
88.98804	6.2
89.02444	4.2
96.96021	10.6
96.96960	1.8
97.02959	4.5
101.02460	5.2
108.83597	1.4
109.06608	24.7
110.06925	1.8
113.02441	3.0
114.38284	1.3
135.08147	2.5
142.02747	1.9
152.99596	2.8
161.04564	2.4
161.09749	4.2
163.11296	14.2
169.01370	1.8
181.12347	4.7
183.13853	7.5
185.11829	3.1
193.12263	2.7
207.10274	56.2
208.10707	4.9
209.11914	4.0
211.13416	100.0
212.13823	6.9
223.13574	1.6
225.11369	29.9
226.11600	2.1
235.08298	4.8
253.09276	9.5
255.23389	7.6
281.24857	6.2
299.15054	2.8
373.23730	2.3
383.22263	4.6
401.23389	10.7
402.23602	1.9
419.24261	3.5
443.19180	4.5
447.22128	4.1
461.20279	7.2
462.20874	2.3
609.33032	2.8
619.31573	3.1
637.23163	1.0
637.32184	32.2
638.32501	9.1
655.33417	37.5
656.33636	6.6
747.51685	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	748.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	33.3
61.98814	3.1
68.08967	2.7
70.07529	11.3
71.01385	24.3
83.33488	3.1
89.02463	29.3
95.01387	4.3
95.50970	2.7
101.02471	16.1
113.02462	7.1
119.03547	16.6
122.89674	3.3
168.62132	2.7
179.05627	11.4
179.74997	3.0
225.22231	6.7
253.21570	3.5
255.23315	5.3
256.23630	5.0
271.22757	4.2
281.24945	3.5
282.25092	3.8
305.92419	3.1
314.26993	2.7
449.06540	3.2
532.47491	18.0
550.48004	7.1
621.99683	3.8
712.53790	100.0
713.54437	23.5
748.51581	31.8
749.51587	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	747.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	0.2
69.26289	1.1
78.95913	8.0
79.95750	3.3
88.98831	0.1
96.96024	100.0
96.96929	10.7
97.95970	0.5
113.59917	0.1
150.03212	0.3
151.00356	0.1
165.05605	0.2
166.02716	0.2
169.01543	0.2
181.05084	0.2
181.12495	0.1
201.11098	0.1
229.71591	0.1
276.21414	0.1
408.68423	0.1
525.75763	0.1
779.58331	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	747.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98841	0.7
68.45338	0.1
78.88151	0.1
78.95915	8.3
79.95748	3.6
81.03544	0.1
88.98802	0.2
96.96027	100.0
96.96927	10.6
97.95975	0.3
125.02449	0.1
145.03041	0.1
169.01537	0.1
182.83038	0.1
229.05978	0.1
256.17981	0.1
341.10080	0.1
343.72781	0.1
444.53293	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	747.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.6
63.20948	0.4
69.03481	0.5
71.01402	4.5
73.02976	0.8
79.01898	0.6
79.95736	0.4
83.01417	0.7
85.02964	2.3
85.41239	0.4
87.00844	0.6
89.02453	2.9
95.01403	1.3
95.60562	0.5
96.96023	18.1
98.19928	1.5
99.00893	0.4
101.02456	2.7
106.21586	0.4
107.01382	3.6
108.02166	2.4
109.02974	6.2
111.00886	1.3
113.02464	2.6
119.03488	1.2
123.00905	6.7
125.02464	17.3
139.00394	2.8
140.01147	1.4
141.01944	1.0
151.00385	6.9
168.00616	2.4
169.01443	26.4
170.01842	1.2
211.02544	0.9
229.11815	0.5
247.02472	0.6
253.03651	0.7
253.94685	0.5
273.00461	0.5
307.62042	0.6
313.05695	9.1
314.05804	0.6
323.13489	12.4
324.13892	0.7
423.09363	100.0
424.09702	10.6
449.45752	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.3
66.15221	0.1
71.01380	0.3
75.57152	0.1
79.05447	0.1
79.95745	3.3
93.85018	0.1
96.96021	100.0
97.95952	0.4
98.20963	0.1
106.97457	0.1
123.00899	0.2
125.02463	0.7
152.20439	0.1
153.41734	0.1
161.02429	0.1
166.99828	0.2
169.01466	0.4
175.03967	0.2
178.85933	0.1
180.04175	0.1
186.57014	0.1
228.00304	0.1
245.01006	0.2
247.02505	0.3
247.20216	0.1
273.00446	0.5
275.01779	0.1
298.98447	0.2
299.99057	0.2
300.99942	1.2
301.41623	0.1
314.13327	0.2
335.02484	0.1
387.16675	0.8
445.04175	0.6
461.03448	0.2
463.05328	0.5
466.65613	0.1
534.07129	0.1
613.04633	0.4
631.06329	0.2
653.13831	0.1
680.19299	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	747.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53250	0.5
53.15846	0.6
58.87164	0.6
59.01389	1.9
61.98817	1.0
67.01881	1.0
69.32917	1.3
69.33334	4.4
71.01393	2.7
79.01917	0.8
79.57066	0.6
83.06087	0.7
95.01407	2.2
96.96025	1.9
97.02957	0.7
98.19872	1.1
107.01417	6.2
111.00881	0.8
113.02486	1.5
123.00900	13.1
125.02470	18.8
131.05061	1.8
133.02977	4.9
139.00394	3.7
140.01175	0.8
141.01958	2.1
147.04544	9.3
148.04869	0.8
149.02481	0.9
151.00386	13.0
153.01918	1.2
161.06096	12.3
162.06467	0.8
167.03500	0.8
168.00679	2.6
169.01451	27.2
170.01813	1.2
175.04041	1.0
183.02997	0.7
189.05603	2.3
199.03984	0.9
211.02548	5.0
227.06105	0.7
253.03619	1.1
285.04083	33.7
286.04349	2.7
292.72629	0.7
301.00153	1.0
313.05676	2.3
355.53268	0.7
461.10925	100.0
462.11227	12.3
527.12494	0.7
621.09131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	10.9
71.56512	3.3
71.56890	4.1
78.95905	37.8
109.64512	3.0
127.50055	3.3
138.17883	2.7
149.30664	3.1
152.99606	36.9
171.00699	3.7
180.63536	3.0
215.48347	3.0
227.03371	4.0
253.21721	31.0
254.22028	3.5
255.23236	5.6
262.90030	3.5
279.23447	4.9
281.24896	100.0
282.25378	8.4
509.28854	86.6
510.29211	8.7
745.50354	32.2
746.50452	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	745.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48891	2.4
70.10593	10.4
81.95419	2.3
84.23891	2.3
85.02909	2.4
88.43910	2.7
91.09981	2.8
96.96022	34.1
98.19888	3.5
103.05530	3.1
105.03480	5.2
117.52135	2.5
119.05036	7.8
120.47983	3.1
125.02475	6.3
131.05043	4.1
147.04517	14.5
159.04523	11.8
161.02449	3.0
169.01384	6.8
171.32928	3.1
175.02544	5.9
175.04012	84.6
176.04451	3.7
177.01846	3.1
177.05586	5.9
191.03519	5.4
203.03508	67.2
204.03789	4.8
221.04585	13.2
245.00899	4.2
247.02504	62.7
273.00327	4.9
291.01477	100.0
292.01813	7.5
300.99908	4.1
305.07016	10.0
342.95459	3.0
423.07422	3.6
424.95096	3.1
575.06714	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	743.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
70.68752	12.7
78.95885	8.3
86.76426	5.7
155.03284	6.2
164.90125	6.4
211.13403	84.0
212.13747	7.1
235.08267	8.1
277.21756	100.0
278.22028	13.6
418.03223	8.4
447.21979	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	741.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.9
61.98846	1.7
65.35218	0.8
69.26714	1.2
69.27119	6.1
71.01391	3.8
73.02931	1.0
78.95909	1.8
80.75317	0.6
83.05055	4.1
85.02939	1.3
87.00887	1.0
89.02451	2.5
95.05034	0.9
99.00911	0.7
101.02453	4.2
113.02431	2.7
119.03497	1.0
125.09711	2.3
127.11297	3.0
143.03534	0.8
152.99608	1.1
160.36850	1.0
161.04570	2.3
163.11267	2.7
165.12883	1.3
171.10265	1.8
172.10605	1.0
181.12398	0.8
186.60750	0.8
191.10640	1.0
201.11333	38.2
202.11717	1.7
203.59012	0.7
207.10088	0.9
208.10469	1.0
209.11855	87.4
210.12155	5.1
225.11354	1.1
225.66306	0.9
226.11732	0.8
227.12941	8.0
228.13344	1.2
235.08263	6.6
243.12299	0.8
253.09285	15.7
275.20197	0.8
277.21750	100.0
278.22089	12.8
279.22617	0.9
300.19849	0.8
302.99319	0.8
437.20276	0.9
443.31924	1.1
445.20529	1.3
505.25861	2.0
528.89172	0.9
548.89233	0.9
569.69495	0.8
741.42749	4.9
752.71387	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	34.9
66.07397	10.7
69.36633	100.0
78.95893	18.4
80.54482	11.6
92.02392	11.4
96.96011	37.7
98.04617	13.4
98.19911	17.9
129.60936	12.0
203.77733	10.0
211.13383	48.1
230.72620	10.9
274.81256	14.1
326.86929	12.6
363.59198	11.3
442.10120	14.2
741.39478	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.7
61.98825	3.0
67.14262	2.3
71.01394	23.0
71.56903	4.9
72.99311	2.8
73.02951	6.1
78.95925	11.9
80.19518	2.4
83.01399	5.1
83.05027	3.1
85.02979	3.9
87.00864	6.2
88.97124	2.5
89.02451	25.0
97.02934	3.9
99.53338	2.2
101.02467	22.7
113.02467	9.4
119.03519	6.5
125.02494	10.4
127.70956	3.2
143.03470	4.2
152.99579	7.4
161.04555	5.2
163.11337	2.9
171.10294	3.9
177.28412	2.3
179.05725	2.7
199.04288	2.4
209.11865	29.2
210.12227	10.0
225.11180	3.0
227.12981	5.1
235.08273	11.7
255.23320	16.7
256.23624	5.0
277.21695	13.7
279.23248	3.7
280.24014	2.8
283.26453	69.8
284.26767	9.0
287.07864	3.3
305.08875	3.5
397.13565	100.0
398.13824	11.7
415.14597	25.5
505.25964	7.1
574.78546	2.9
690.43750	11.3
691.44000	23.1
741.44226	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	741.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.75926	0.1
61.54095	0.1
61.98822	0.1
79.95747	3.2
88.98802	0.1
96.96021	100.0
97.95980	0.3
98.20628	0.5
107.59639	0.1
120.06329	0.1
120.08218	0.2
122.06138	0.9
124.68449	0.1
152.07179	0.9
189.19479	0.1
209.11850	0.4
229.84720	0.1
279.11450	0.4
323.10428	0.2
402.18658	0.2
444.19711	0.2
471.06143	0.1
488.18350	0.1
520.20892	0.4
611.25232	1.1
612.26019	0.2
643.27679	1.4
644.28210	0.4
654.15619	0.1
741.34778	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.99321	0.7
61.98841	1.4
63.99257	0.1
66.55974	0.1
71.01402	0.3
71.56626	0.2
72.99309	0.4
78.95908	0.2
79.95744	3.5
85.02939	0.2
88.00406	0.2
88.98814	5.0
89.02467	0.4
96.96022	100.0
97.95955	0.3
98.95609	0.1
103.93616	0.2
106.05917	0.1
107.03806	0.2
117.30740	0.1
119.03557	0.2
119.05075	0.2
120.08208	0.4
122.06156	1.2
125.02456	0.3
136.01651	0.2
137.02458	0.2
145.03062	0.1
151.04041	0.3
152.07210	1.6
165.71263	0.1
169.01479	0.2
179.10760	0.2
209.11835	0.7
225.11281	0.2
227.12865	0.7
237.10268	0.3
239.67102	0.2
251.11917	0.2
253.09467	0.2
272.71704	0.2
279.11420	0.5
323.10437	0.2
373.13000	0.5
402.18182	0.2
444.19409	0.2
445.21014	0.2
489.19049	0.3
520.20667	0.3
566.24292	0.1
567.26483	0.3
577.29889	0.2
611.25146	2.2
612.25616	0.5
643.27679	2.6
644.28156	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.1503
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.2
56.82343	1.6
57.03458	3.6
59.01384	6.8
69.03446	4.2
70.20573	2.9
70.20925	4.3
71.01385	11.2
73.02945	8.8
78.95918	4.1
79.95753	3.2
83.01407	3.5
85.02960	45.0
87.00886	80.6
88.01212	1.7
95.01405	6.0
96.96022	79.7
96.96983	3.1
97.02964	23.8
101.02486	1.6
103.04018	8.8
111.00967	1.6
113.02462	31.9
115.00344	7.6
115.04027	1.6
124.75690	1.6
125.87074	1.5
157.01454	6.1
173.04544	4.9
175.02495	35.0
179.76073	1.5
217.03561	15.4
259.02295	2.1
300.99997	5.0
303.07294	17.1
321.08301	10.2
333.60477	1.5
394.78229	1.6
464.06522	1.6
479.10229	6.4
479.16489	1.9
481.06528	4.3
497.11795	2.0
539.12592	8.5
625.16034	16.8
626.16583	2.6
643.17328	100.0
644.17786	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	741.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74976	0.4
56.55107	0.5
59.01384	2.9
61.98832	1.6
62.46935	0.4
69.74030	2.5
71.01393	2.0
77.03979	2.4
78.95922	1.7
80.02669	0.5
80.73943	0.4
83.05042	1.8
84.02165	0.5
89.02476	1.0
93.03437	0.5
96.96013	7.1
96.96955	0.9
98.95608	1.1
101.02471	0.7
121.02969	100.0
121.54727	0.4
122.03277	3.7
134.17416	0.5
137.02490	0.7
152.99615	0.7
163.11305	1.6
165.01945	78.2
165.12843	0.7
165.41608	0.4
166.02301	3.1
171.10298	0.9
172.10597	0.5
181.06615	2.9
185.06024	0.5
186.57175	0.4
191.03534	1.8
195.13931	1.7
196.14243	0.9
209.11850	30.8
209.58720	0.4
210.12192	14.6
211.13399	1.6
212.13783	1.2
223.13449	0.9
225.05638	1.0
227.12901	3.1
228.13289	1.6
235.08165	0.8
253.09297	4.2
254.09641	1.7
275.20166	1.4
276.20483	1.5
277.21698	0.6
293.21249	12.7
294.21558	12.4
295.21875	1.7
313.07343	1.8
357.06180	10.2
358.06888	0.8
505.26297	0.8
520.46167	0.5
549.10449	0.8
741.14636	5.2
742.14520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32610	1.3
58.57161	1.1
59.01383	8.6
61.98827	2.8
69.36445	4.3
69.36869	6.3
70.76395	1.2
71.01386	6.2
73.02930	1.7
79.67336	1.2
87.00861	1.3
89.02421	4.3
95.05053	1.8
96.96053	1.4
97.02969	2.0
100.11186	1.4
100.69006	1.3
101.02441	3.5
109.06605	1.7
113.02447	2.7
119.03506	2.3
125.09723	1.4
145.46324	1.2
161.04582	1.9
163.11317	3.3
170.50150	1.2
171.10289	100.0
172.10588	4.1
181.12329	1.9
185.11765	3.0
189.09174	2.7
197.11758	1.3
199.13513	3.1
201.11349	4.2
207.10269	15.2
209.11739	1.8
211.13454	6.4
212.13663	1.6
225.11334	44.8
227.12878	3.2
235.08173	3.0
243.12331	2.6
253.09235	13.8
275.20209	1.5
277.21741	78.3
278.22137	7.7
279.23270	3.0
285.20416	1.4
293.21259	3.9
307.19434	1.7
320.05417	1.3
407.19150	2.1
443.19080	2.6
461.20172	9.2
721.41718	4.1
739.41846	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	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
58.80927	1.2
59.01393	10.6
61.98835	1.9
62.03043	1.2
69.73305	1.0
71.01387	13.1
73.02937	2.1
78.95900	1.7
85.02956	1.7
89.02454	3.4
97.02945	2.2
97.06608	1.3
98.19862	3.0
99.00861	4.0
101.02447	6.0
109.06539	2.2
113.02457	3.3
118.93890	1.1
125.09727	3.5
127.11288	1.4
145.05040	1.5
152.99657	1.3
153.09312	1.2
161.04564	2.6
163.11275	4.4
171.10286	50.2
175.71573	1.2
181.12352	6.7
183.13950	2.1
185.11861	1.9
195.13968	1.8
197.11813	2.6
199.13367	14.0
201.11371	3.1
207.10277	21.3
209.11862	1.7
211.13429	12.5
225.11339	47.9
226.11649	3.1
227.12901	12.6
235.08292	5.8
243.12361	5.5
253.09338	13.4
267.06665	1.2
277.21753	100.0
278.22119	9.5
279.23285	4.3
280.23639	2.1
291.19678	4.9
293.21225	9.6
443.19159	2.4
461.20517	6.3
463.21921	1.8
479.21170	1.8
485.33786	1.5
569.27362	1.4
721.41547	4.4
739.42651	45.3
740.42908	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.5
59.01388	10.1
61.98808	1.0
71.01389	12.1
71.05019	3.3
73.02943	1.9
83.01402	1.1
83.05029	1.5
85.02956	2.5
87.00863	1.5
89.02470	4.6
95.05025	0.9
97.02962	4.3
97.06587	2.8
99.00893	15.4
101.02459	6.0
109.06599	2.7
110.03757	1.2
111.00805	0.9
113.02438	3.0
116.50976	0.8
119.03466	1.1
123.08149	1.6
125.02415	1.0
125.09770	6.2
127.11230	0.9
151.11220	1.0
161.04552	1.1
163.11333	10.2
171.10286	25.8
179.10938	0.9
181.12354	18.9
182.12582	1.1
189.09154	0.9
197.11758	1.9
199.13434	13.9
200.13672	1.2
201.11353	4.0
207.10283	34.0
208.10638	1.4
209.11797	1.0
211.13391	2.8
225.11345	55.6
226.11649	2.7
227.12929	2.5
235.08263	3.6
243.12392	23.9
253.09346	5.7
277.21759	54.5
278.22076	7.2
279.23145	2.0
280.23718	1.0
281.24945	2.8
293.21262	3.2
397.13458	4.3
415.14767	1.3
443.19147	1.1
461.20444	5.8
479.21490	11.4
480.21613	2.3
511.61215	0.9
595.47992	1.0
721.41327	1.6
739.42773	100.0
740.43097	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	739.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.5
59.01384	4.5
61.98827	1.1
63.25452	0.4
65.54032	0.4
68.03794	0.3
70.57291	1.2
71.01387	3.4
71.05022	0.5
72.58010	0.3
72.99326	0.4
73.02959	0.6
78.95918	1.6
79.95752	1.2
80.02686	1.2
81.03461	1.1
82.72145	0.3
83.05032	4.2
84.02193	0.9
85.02981	0.7
87.00878	0.7
89.02456	2.6
95.05018	0.8
96.96024	22.1
96.96922	2.1
97.02929	0.4
101.02441	2.8
111.08161	0.8
113.02468	1.6
119.03522	0.8
121.10140	0.4
125.54303	0.4
135.08142	0.5
135.18622	0.4
161.04588	1.4
163.11246	2.5
165.12871	2.2
167.10869	0.4
171.10297	1.2
179.05621	0.7
181.12366	0.5
183.13951	0.5
191.10764	0.8
195.13933	6.1
196.14568	1.0
197.11832	0.5
199.05852	0.3
199.13293	0.4
205.12393	0.8
207.10327	0.4
209.11845	100.0
210.12212	6.9
211.13402	5.0
223.13405	5.0
227.12906	12.0
228.13455	0.7
235.08289	2.2
253.09328	16.8
254.09639	1.1
256.13199	0.8
275.20206	7.8
276.20642	0.5
291.19687	0.7
293.21259	82.1
294.21506	7.2
294.24667	0.5
300.99881	0.7
309.20813	0.7
445.20901	1.0
529.30182	0.7
681.52124	0.4
746.78033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.5
59.44497	0.3
60.99316	16.6
61.98834	5.5
66.31429	0.3
68.02083	0.3
70.40163	0.2
80.96542	0.5
86.38925	0.3
87.00903	1.0
88.00371	1.6
88.98817	100.0
89.02451	10.7
89.99149	1.0
90.12382	0.3
96.96018	0.6
98.20654	1.3
176.76765	0.3
185.27399	0.3
188.18214	0.3
191.52646	0.3
193.57094	0.3
230.59680	0.4
298.92084	0.3
517.32281	0.4
738.44763	0.4
739.32446	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11156	0.2
59.01373	0.3
60.99312	16.7
61.98824	0.9
71.01379	0.3
78.67487	0.2
87.00883	0.5
88.00407	1.2
88.98814	100.0
89.02449	10.8
89.03020	0.3
89.99154	1.0
96.96022	0.2
98.20650	0.6
114.11679	0.2
122.20934	0.2
137.02505	0.2
140.08754	0.2
141.12730	0.2
157.10381	0.2
324.53763	0.2
365.19464	0.2
577.30511	0.3
671.47736	0.2
739.32953	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19578	2.7
60.99296	3.9
61.98840	100.0
66.23729	2.8
70.70895	2.8
70.71263	8.4
71.01403	3.9
72.89831	2.7
73.35426	2.5
82.95419	4.8
88.98833	24.3
89.02440	3.4
96.96000	10.0
109.06593	6.6
144.62830	2.6
150.82355	3.1
152.31789	2.6
152.40517	3.2
163.11310	4.1
207.10228	23.9
209.11862	44.5
222.57939	3.1
225.11298	13.8
227.12868	11.9
253.09335	7.6
301.87842	2.7
319.91971	2.9
443.19122	8.8
445.21051	3.6
446.59271	3.0
461.20215	7.9
635.30621	21.4
653.31604	23.3
654.32068	4.4
671.32849	27.4
672.33344	5.6
739.32629	23.6
740.32758	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	739.3919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63797	0.2
59.01371	0.5
60.99313	16.4
61.98820	0.6
66.87727	0.2
70.71765	0.4
87.00892	1.0
88.00423	1.1
88.98817	100.0
89.02450	11.3
89.99153	1.1
102.40768	0.2
129.04822	0.2
183.79379	0.2
405.99457	0.2
551.79187	0.2
607.60175	0.2
739.31653	0.3
752.35370	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.4
59.14309	0.1
59.35162	0.1
61.98836	10.1
67.23820	0.1
71.01404	0.2
72.02973	0.1
79.95747	3.8
80.96526	0.4
82.95408	0.3
85.02970	0.2
85.35098	0.1
88.98812	0.6
89.02449	0.2
95.78646	0.1
96.96021	100.0
97.95932	0.3
98.95608	0.2
122.06151	0.7
130.25761	0.1
134.06148	0.2
152.07188	0.8
161.59323	0.1
163.62717	0.1
169.01427	0.1
201.86957	0.2
209.11824	0.3
211.13423	0.2
213.10365	0.4
215.83717	0.1
239.11987	0.4
241.13513	0.3
279.23209	0.2
285.12451	1.1
293.12921	0.1
295.10809	0.2
358.15717	0.3
400.16614	0.2
403.72232	0.1
516.34137	0.2
565.24554	0.7
566.24750	0.2
609.23523	2.2
610.23816	0.3
641.26123	1.3
642.26196	0.2
721.31226	0.2
739.31561	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5088
Annotation	PE(18:2(6Z,9Z)/18:2(6Z,9Z))
Peak:m/z	Relative Intensity
60.57843	1.5
63.42666	1.6
69.96221	7.1
71.15722	1.4
71.35939	1.7
72.88655	1.4
76.32260	1.7
78.95913	15.5
79.89124	1.9
99.15620	1.6
126.91041	1.5
152.99603	10.8
160.96880	1.9
277.21783	5.7
279.23315	100.0
280.23706	9.0
281.24911	4.2
320.56458	1.6
356.14087	1.8
395.17487	1.8
458.26785	2.5
462.32840	1.5
673.08167	1.7
738.50891	33.6
739.51111	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	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49026	0.1
54.75538	0.1
59.01380	0.6
61.98836	100.0
62.98544	0.2
71.01389	0.4
87.00907	0.2
89.02467	0.3
96.96028	0.6
98.20746	0.2
101.02474	0.3
105.29780	0.1
113.02457	0.2
119.03534	0.1
125.02480	0.2
199.65111	0.1
209.11882	0.3
211.13416	0.2
277.21759	0.5
278.22073	0.6
279.22595	0.3
280.22653	0.2
293.21268	0.1
299.44592	0.1
301.00104	0.3
343.69879	0.1
397.13580	0.3
398.14041	0.3
399.13998	0.6
400.14444	0.4
416.15332	0.1
417.14951	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35989	0.2
56.30014	0.2
59.01384	1.7
61.98835	100.0
69.21799	1.6
71.01389	0.9
73.02961	0.3
78.95930	0.6
81.03484	0.3
81.32728	0.2
82.36888	0.2
83.05052	1.0
87.00893	0.3
87.66090	0.2
89.02458	0.8
95.05025	0.3
96.96020	3.1
97.02945	0.2
98.19927	0.4
101.02471	0.6
105.60997	0.2
113.02460	0.5
135.08246	0.2
161.04617	0.4
163.11336	0.6
165.12880	0.3
183.14009	0.3
195.13930	0.7
197.11748	0.3
207.10237	0.3
209.11839	17.3
211.13388	1.9
219.53215	0.2
223.13393	0.4
227.12866	2.1
235.08163	0.4
237.01459	0.3
253.09294	2.6
268.91217	0.2
272.44904	0.2
275.01984	0.2
275.20163	1.0
277.21878	0.8
278.22150	0.5
279.23245	0.8
291.19806	0.6
292.20078	0.4
293.21246	9.8
300.99799	1.4
309.20737	0.6
350.53491	0.2
376.02515	0.3
397.13583	0.3
398.08981	0.2
398.14093	0.5
399.14322	0.6
400.14539	0.5
417.15543	0.3
445.21167	0.2
452.06122	0.2
470.02545	0.2
598.56854	0.3
670.35938	0.2
738.51532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36649	0.2
59.01385	13.4
69.44453	1.7
71.94188	0.2
81.03463	4.5
83.05033	13.2
84.05378	0.2
105.04535	0.2
107.06132	0.3
108.04567	0.3
125.07208	0.7
126.05605	0.4
136.56363	0.2
143.08253	0.4
188.90067	0.2
199.79784	0.2
207.15070	1.0
224.17682	1.9
225.16106	10.9
226.16359	0.7
242.18755	0.6
251.07776	0.2
301.00000	0.5
309.21796	0.7
324.26694	0.3
333.22980	0.5
339.27576	0.3
341.29187	0.6
351.24191	0.3
367.27109	1.1
407.33734	0.2
433.31851	0.9
450.34750	1.3
451.32919	6.5
452.33282	0.9
476.32333	0.3
535.38708	0.2
550.43579	1.1
559.39758	0.5
659.48560	1.5
660.48761	0.4
677.49725	100.0
678.50061	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	7.5
63.31630	6.6
72.49768	7.4
78.95918	10.6
90.99234	7.0
145.59831	6.1
161.23781	5.9
172.22910	6.4
201.96741	8.6
209.11850	76.0
227.12904	16.9
235.08296	12.2
255.23293	100.0
256.23541	8.4
277.21783	16.4
278.22046	9.4
279.23291	59.2
304.19495	7.2
457.51746	6.6
491.32309	8.8
737.42285	24.2
738.50745	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	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37391	0.5
56.54214	0.6
57.03444	1.3
59.01386	5.6
61.98837	4.4
62.70522	0.6
69.32249	0.6
71.01392	3.9
71.57548	0.8
73.02965	0.6
76.31108	0.6
78.95924	1.2
80.02710	1.1
81.03474	1.5
82.62741	0.6
83.05040	5.1
84.02171	0.7
85.02938	1.5
89.02453	3.0
95.05020	1.3
96.96017	2.4
101.02478	3.2
108.03996	0.6
109.06610	2.2
111.08179	7.5
113.02454	1.7
119.03519	0.7
121.02846	0.7
135.08191	0.8
147.11743	0.6
151.11307	0.6
161.04573	1.5
163.11324	5.2
165.12872	2.6
167.10753	1.7
170.26950	0.6
171.10291	1.0
177.12848	1.5
179.05757	0.7
179.10828	1.7
191.10812	1.3
195.13945	4.7
207.10220	3.9
209.11848	100.0
210.12204	5.9
211.13379	1.9
223.13478	0.7
225.11349	2.7
227.12917	13.9
235.08264	3.4
247.20604	1.8
253.09340	12.1
273.18744	1.3
279.23279	1.6
291.19693	83.2
292.20047	7.8
293.21158	4.0
300.99899	0.8
309.20752	0.7
389.24466	0.6
405.75140	0.7
415.29468	0.6
461.20392	0.9
509.27798	1.0
527.28412	3.5
528.28760	1.0
737.41467	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	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81499	1.1
59.01385	16.3
61.98833	2.2
62.18619	1.1
71.01391	6.9
71.41177	1.8
71.41525	2.1
73.02937	1.9
78.95914	2.5
81.03455	2.9
83.05042	3.6
85.02982	1.3
87.00894	1.6
89.02464	6.6
95.01424	1.8
96.96014	12.1
96.96960	2.2
97.02959	7.3
97.06607	1.9
99.00885	2.5
101.02440	9.1
109.06602	37.9
110.03784	1.6
111.08231	1.6
113.02460	4.4
119.03511	2.2
121.06553	1.7
123.04515	3.7
135.08185	4.0
142.02707	1.6
161.04570	2.7
161.09718	2.8
161.71211	1.3
163.11307	19.5
171.10321	2.4
179.05661	1.5
181.12358	4.1
185.11890	1.5
189.09259	2.1
195.13876	9.1
197.11749	1.4
207.10272	95.8
208.10588	6.8
209.11809	17.8
211.13387	11.6
223.13373	5.2
224.13925	1.4
225.11353	35.3
226.11734	2.0
227.12927	3.1
235.08185	5.6
253.09300	25.3
263.96854	1.5
275.20093	8.1
277.21710	2.8
279.23254	3.3
289.18127	2.5
291.19769	12.4
292.19946	1.5
293.21255	100.0
294.21619	10.5
299.14969	2.5
300.99857	6.5
307.19168	2.8
347.97852	1.3
443.19165	3.8
461.20419	10.0
719.39441	1.9
737.41046	38.8
738.41034	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	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42575	0.5
59.01384	5.8
61.31834	0.6
61.98820	0.7
69.03460	3.3
70.11917	1.7
71.01391	4.0
71.05038	1.6
72.11603	0.5
73.02953	1.4
78.95906	1.0
80.27471	0.6
83.01402	0.6
83.45531	0.6
85.02972	1.6
87.00893	1.2
89.02452	3.2
95.01402	0.6
96.96030	2.6
97.06591	0.9
101.02466	3.6
109.06603	0.7
113.02483	2.2
119.03523	0.6
123.08162	1.0
125.09736	2.5
148.30482	0.6
148.31839	0.5
151.11282	2.1
152.99715	0.8
153.12895	1.4
161.04530	0.8
161.09764	2.6
169.12337	1.0
171.10391	0.7
179.10779	6.9
195.10320	0.8
197.11842	83.2
198.12192	4.9
205.08720	1.2
213.11230	0.6
223.09798	2.4
235.08180	0.9
241.10861	4.1
253.09323	4.4
277.21744	31.8
278.22079	3.6
279.23273	2.5
334.63715	0.6
427.70041	0.6
459.18777	1.5
477.19910	3.4
719.40192	1.4
737.41217	100.0
738.41486	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	737.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	1.2
59.01382	5.2
61.98820	1.3
69.03468	5.1
71.01389	5.5
71.05018	1.6
72.99342	1.0
73.02966	1.2
75.00871	1.4
78.95924	0.9
81.03445	0.8
83.03555	0.7
85.02948	2.0
87.00874	1.0
87.25529	0.6
88.92060	0.6
89.02441	2.4
98.20737	1.4
99.00869	0.8
101.02451	3.0
113.02483	2.9
114.68658	0.6
123.08163	1.3
125.09740	1.7
137.09750	0.7
151.11295	3.1
153.12799	0.7
161.04533	0.9
161.09727	4.7
169.12360	1.0
179.10785	8.8
181.89899	0.7
194.65311	0.7
197.11844	41.0
198.12172	2.1
209.11830	4.0
223.09773	1.6
225.11301	1.3
241.10811	1.7
253.09428	3.0
277.21750	54.5
278.22137	5.3
279.23279	2.6
356.29355	0.5
377.42657	0.6
427.85092	0.7
459.18533	0.7
469.42111	0.6
477.19647	1.3
574.74585	0.7
737.41217	100.0
738.41473	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	737.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.5
57.03439	1.2
59.01104	2.2
59.01389	30.7
61.94601	1.1
61.98845	3.3
71.01392	30.5
72.99318	1.4
73.02960	3.1
73.25778	1.3
75.00821	1.3
78.95889	1.3
81.03465	1.8
83.01403	3.6
85.02981	6.7
87.00871	6.9
89.02456	25.9
95.01413	1.9
96.96027	1.8
97.02963	4.3
101.02467	18.6
103.00420	2.3
109.06625	3.5
111.00876	1.5
113.02461	11.8
117.03475	3.6
119.03510	6.1
119.05037	1.4
125.02457	7.7
143.03491	3.0
145.02953	13.1
161.04538	6.0
163.11264	2.4
179.05626	4.7
207.10271	9.8
209.11836	23.3
211.07468	1.3
211.13344	7.4
225.11380	2.6
227.12906	3.5
229.07257	1.8
235.08253	13.0
253.09302	5.1
275.20309	1.4
279.23315	90.7
280.23703	9.5
287.07794	3.6
291.19653	16.5
292.20044	1.7
293.21262	8.5
305.08694	3.2
397.13547	100.0
398.13660	6.5
415.14639	30.9
416.14908	3.3
655.36780	7.4
656.37042	2.5
677.37238	1.8
690.78967	1.5
734.44556	1.3
737.41370	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	736.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30526	0.2
56.45383	0.2
59.01381	0.4
61.98839	100.0
62.98562	0.2
64.14957	0.2
65.02541	0.2
68.91898	0.2
69.32858	0.6
69.33270	0.8
71.43645	0.2
78.95942	0.2
96.96041	0.6
98.11169	0.2
100.52314	0.2
101.58321	0.2
103.94849	0.2
127.63186	0.2
168.61044	0.2
209.11827	0.5
211.13419	1.7
212.13783	1.2
213.14023	0.5
277.21689	0.3
279.23270	0.5
291.19907	0.4
298.85107	0.2
300.99966	0.4
361.52261	0.2
394.32245	0.2
725.27972	0.2
736.37701	0.2
769.67188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.3
61.98838	100.0
62.22776	0.8
62.49613	0.8
62.98547	1.4
63.99269	1.2
70.82881	0.7
71.01407	1.3
71.57166	1.3
72.63416	0.7
78.95910	1.4
79.95730	1.0
80.96518	4.4
81.13451	0.7
88.98798	0.9
96.96026	6.4
101.02482	1.1
108.62523	0.8
125.02453	1.3
161.13277	0.8
164.98640	0.9
169.01489	0.9
176.34737	0.7
180.96228	0.7
183.53377	0.7
197.11856	2.8
209.11848	5.8
211.13474	2.8
215.96645	0.7
223.13483	2.7
225.00784	1.6
227.12936	0.8
233.11823	0.8
237.67590	0.7
253.09354	0.9
291.19907	0.8
300.99979	1.1
459.22278	1.2
481.46524	0.9
651.33868	1.1
737.34155	6.1
738.35217	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	736.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30526	0.2
56.45383	0.2
59.01381	0.4
61.98839	100.0
62.98562	0.2
64.14957	0.2
65.02541	0.2
68.91898	0.2
69.32858	0.6
69.33270	0.8
71.43645	0.2
78.95942	0.2
96.96041	0.6
98.11169	0.2
100.52314	0.2
101.58321	0.2
103.94849	0.2
127.63186	0.2
168.61044	0.2
209.11827	0.5
211.13419	1.7
212.13783	1.2
213.14023	0.5
277.21689	0.3
279.23270	0.5
291.19907	0.4
298.85107	0.2
300.99966	0.4
361.52261	0.2
394.32245	0.2
725.27972	0.2
736.37701	0.2
769.67188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09453	0.1
59.79851	0.1
60.99311	0.3
61.50410	0.1
61.98837	100.0
62.98546	0.2
65.05266	0.1
68.53071	0.1
78.20810	0.1
82.95425	0.1
84.95197	0.1
87.00916	0.3
88.00404	0.1
88.98824	1.4
89.02460	0.1
96.96037	0.2
119.05042	0.2
125.02435	0.1
171.57674	0.1
211.65009	0.1
241.74516	0.1
300.99875	0.1
329.08646	0.1
464.44354	0.1
537.39111	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.8
61.20958	0.4
61.98837	100.0
65.81728	0.4
71.01396	2.2
71.26610	0.5
73.02950	0.6
73.45699	0.3
78.95918	0.3
85.02982	0.7
89.02469	1.5
96.96037	0.9
101.02456	1.2
110.11590	0.4
113.02441	0.8
113.09799	0.4
125.02431	0.4
143.03574	0.4
143.92986	0.3
154.96429	0.4
155.59854	0.3
169.06288	0.4
179.05708	0.4
207.10289	0.6
209.11911	0.6
211.13551	1.7
225.11334	1.7
235.08382	0.6
253.09264	0.5
277.21677	3.2
278.22098	2.2
279.23331	0.8
289.18149	0.5
291.19766	0.4
293.21356	1.2
300.99887	0.9
397.13443	3.0
398.13940	2.7
407.49130	0.4
415.14651	1.1
416.15109	0.9
461.20319	0.4
542.05237	0.4
571.73956	0.4
594.97473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	6.7
59.61963	1.8
61.98536	3.6
61.98839	64.0
80.05068	4.9
80.96529	4.4
88.98812	8.4
95.37012	2.0
96.96015	11.9
106.06647	3.5
107.03776	3.8
122.06134	31.9
125.02466	5.8
134.06097	7.5
137.02458	3.3
152.07173	41.6
160.06435	2.5
163.04054	2.7
166.05074	2.1
169.01462	5.9
174.05566	3.5
188.07137	4.4
209.11864	2.2
213.10403	10.2
225.10143	2.3
237.10497	3.9
239.11868	7.0
241.13451	4.9
245.13004	4.2
253.09816	2.9
257.48627	1.9
263.38489	2.0
265.09747	4.7
266.10468	2.7
267.11362	2.4
277.09848	2.5
278.06863	2.6
279.07751	4.1
285.12405	23.1
293.09360	12.9
293.12680	4.1
294.09970	3.4
295.10681	10.1
300.99866	5.3
307.10831	3.6
313.11969	2.9
323.10297	5.0
337.08304	6.9
356.17892	2.0
357.09784	2.0
358.15652	9.8
400.16724	9.7
412.16589	4.6
422.30023	2.0
430.14420	3.0
459.17862	6.2
460.18784	8.9
476.18420	3.3
478.19189	2.3
486.16592	3.0
503.16797	5.6
504.18027	13.4
518.19250	12.1
550.22107	21.2
551.21991	3.4
565.24646	35.1
566.24591	7.0
597.27087	6.2
602.27283	2.1
609.23572	24.9
610.23584	4.3
641.26184	100.0
642.26392	20.5
673.28644	41.2
674.29169	11.4
737.29645	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	735.4327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38850	0.9
55.05602	1.0
58.82874	0.8
59.01378	5.6
61.98830	1.5
69.03468	1.5
69.89841	4.8
71.01389	3.8
78.95918	3.2
89.02448	2.9
96.95998	1.3
101.02456	3.3
109.06610	1.1
112.98531	0.9
113.02450	2.4
161.04585	2.2
167.10776	2.4
179.10747	1.2
179.14407	4.0
195.13924	14.0
205.12344	11.2
223.13397	100.0
224.13756	5.1
225.14806	1.1
235.08224	3.2
253.09325	15.5
255.23424	2.2
275.20193	4.5
291.77161	1.1
293.21246	84.2
294.21625	7.3
301.00134	1.1
351.48923	1.0
429.53577	1.0
459.22403	11.0
460.22641	1.4
499.34567	1.3
735.40894	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
69.22568	0.4
69.32747	3.1
71.01373	0.6
87.00872	0.4
96.96030	2.0
98.20662	0.7
107.01357	0.7
117.03545	0.5
119.85206	0.3
120.44379	0.3
123.00900	0.6
125.02458	3.8
129.03452	0.4
145.02948	1.2
148.23715	0.4
150.05571	0.4
163.04068	0.7
165.01926	0.6
169.01465	4.6
173.02432	1.7
185.02507	2.1
199.00317	0.4
201.01976	2.4
213.80219	0.4
217.01465	0.8
229.01401	3.8
245.00804	1.9
247.02493	0.5
257.00888	1.5
273.00400	0.7
283.99628	2.7
285.00192	0.6
299.99139	2.9
300.99924	100.0
302.00238	8.3
458.03043	1.5
458.53305	1.1
459.03360	0.5
513.26941	0.7
645.09473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
68.17542	0.2
71.56609	0.4
96.96010	1.0
98.92707	0.3
107.01380	0.5
123.00845	0.6
125.02446	1.5
125.75935	0.3
129.03468	0.4
139.61363	0.3
145.02965	1.2
157.02997	0.6
163.03963	0.5
169.01405	1.9
173.02493	1.3
185.02455	1.9
189.01952	0.3
201.01936	1.8
216.96318	0.3
217.01329	0.5
224.95375	0.3
229.01399	2.8
245.00912	1.6
247.02440	0.7
257.00912	1.7
258.01544	0.3
273.00403	0.7
275.01953	0.4
283.99625	2.8
299.99142	2.7
300.99908	100.0
302.00259	8.0
302.03690	0.4
664.68073	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41678	0.1
61.98838	100.0
62.98544	0.1
68.99583	0.1
70.76144	0.3
72.30816	0.1
80.64882	0.1
87.63849	0.1
88.98835	0.2
96.96025	1.0
101.02563	0.1
109.95652	0.1
112.98609	0.2
146.81085	0.1
171.12842	0.1
209.11900	0.2
211.13286	0.1
213.55551	0.1
538.64679	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11391	0.2
54.94268	0.2
55.71506	0.2
59.01387	7.6
61.98525	0.2
61.98837	1.2
69.03445	0.4
71.01388	2.2
71.57066	0.2
73.02975	0.2
78.95928	0.3
81.03472	0.2
83.01389	0.3
83.05019	0.3
85.02939	0.3
87.00887	0.3
88.98795	0.3
89.02436	0.9
96.96027	0.4
101.02467	1.2
109.06616	0.2
113.02484	0.9
113.35959	0.2
117.51292	0.2
119.03534	0.4
119.05028	0.2
121.02976	1.1
125.02425	0.2
143.03511	0.2
145.02992	0.8
155.10890	0.3
161.04558	0.7
165.12903	0.3
167.14426	0.5
179.05641	0.3
181.75452	0.2
183.13933	5.9
183.15576	0.3
184.14246	0.4
193.12355	1.6
207.10307	0.6
209.11913	0.3
211.13426	100.0
212.13759	6.5
225.11311	0.3
227.13039	0.2
235.08278	1.4
253.09329	3.2
267.27728	0.2
277.21753	0.2
309.81555	0.2
333.77682	0.2
387.25214	0.3
405.26352	0.2
428.14627	0.2
429.21393	1.2
447.22403	8.9
448.22705	0.8
623.34393	2.4
624.34705	0.5
641.35339	1.1
655.33594	0.3
673.37592	0.6
674.37592	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11413	2.2
59.01379	5.2
60.99305	4.8
61.98837	45.9
70.08012	4.6
70.08401	5.1
71.01381	3.7
73.02949	2.1
78.95940	2.2
82.95415	11.0
83.05025	4.0
84.95122	4.2
88.98812	29.1
96.96035	21.7
101.02475	2.9
109.02951	2.9
120.08205	3.7
122.06138	7.2
125.02460	4.9
149.09877	2.2
150.05705	2.4
151.04042	2.5
152.07193	9.7
163.11308	4.7
165.12871	3.9
169.01443	7.1
171.10310	2.8
209.11841	100.0
210.12187	6.2
215.15701	2.4
227.12859	12.8
253.09271	6.9
271.06149	2.6
279.11252	3.3
300.99814	5.7
427.72818	2.8
520.21356	2.9
611.25024	18.6
612.24933	5.2
643.27771	13.5
720.33093	2.8
743.65857	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	733.3661
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15183	1.7
54.96708	1.5
57.03428	1.6
59.01384	25.9
61.98835	5.8
63.42892	1.9
66.59485	1.8
69.36845	11.6
71.01392	46.0
72.99327	2.0
78.95907	9.0
83.05045	3.8
85.02954	1.9
87.00937	1.7
89.02450	4.1
96.96002	4.5
96.96970	4.2
97.02952	3.3
99.00882	2.9
101.02455	5.6
109.06599	8.8
113.02438	4.0
125.09744	1.7
161.04529	2.3
163.11317	4.2
171.10272	4.7
183.13916	9.5
193.12323	2.0
199.13393	6.1
201.11423	3.2
205.07092	1.8
207.10300	26.5
209.11874	16.6
211.13422	100.0
212.13777	5.9
225.11382	13.0
227.12888	15.0
235.08279	3.2
253.09309	10.7
293.21237	6.0
294.21542	3.9
373.23511	2.0
383.22086	3.3
390.91119	1.7
401.23441	5.5
419.24588	2.6
447.22342	2.8
461.20386	4.5
463.22354	3.1
466.17804	1.7
637.31909	5.4
655.33264	7.5
656.33466	6.4
673.35083	2.3
733.41895	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	733.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.84278	1.1
60.99010	1.4
60.99314	23.1
61.98537	1.3
61.98836	14.3
69.37011	9.2
76.40633	0.9
80.05046	1.1
82.95437	5.6
88.98816	100.0
92.70305	1.1
93.08030	1.0
94.06622	2.0
96.96043	1.6
106.06580	1.5
107.03760	5.0
108.04555	1.0
120.08201	12.6
121.04060	1.0
122.06136	42.2
124.07734	1.4
125.02406	1.3
132.04543	1.2
134.06113	3.9
139.02753	1.5
142.35805	1.0
152.07178	50.6
160.04004	1.4
164.07210	1.6
169.01456	1.6
179.92577	1.0
185.42764	1.2
190.05077	3.0
209.11833	3.9
213.64673	1.0
214.40678	1.3
221.10687	1.0
223.08789	2.8
224.09566	2.6
225.10304	1.6
235.12335	1.6
236.09369	1.2
237.10393	5.5
238.10909	2.4
239.11800	4.3
245.12955	2.6
249.10234	1.4
251.08217	1.2
251.11913	3.8
263.08163	3.6
264.09094	5.2
265.09729	4.6
271.10834	2.0
276.09186	1.1
277.09735	3.0
278.10620	3.0
279.08438	2.0
279.11404	24.8
280.11795	3.1
281.12964	1.3
291.11349	6.2
292.12076	2.6
295.10828	2.7
311.13947	1.1
313.11978	1.5
322.09659	1.4
323.10321	5.4
324.11032	1.5
325.11813	1.9
355.12784	1.3
360.17099	1.7
402.18216	6.1
403.18521	1.8
414.18680	1.7
416.20074	2.2
417.20605	1.8
443.18454	1.1
444.19583	7.0
445.20059	2.3
448.18753	5.3
460.18362	1.3
461.19354	1.4
483.63513	1.2
488.18179	10.0
489.18912	5.5
490.19363	1.3
520.13489	2.2
520.20862	31.7
521.21112	6.6
567.26184	15.9
568.26489	2.5
611.25116	70.5
612.25507	16.5
643.27753	71.8
644.28070	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	733.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.7
60.50292	0.9
69.03477	1.1
71.01397	4.0
71.56381	1.2
75.38752	1.0
79.95742	1.6
83.01411	0.9
85.02958	4.0
85.56052	1.2
96.96022	41.1
98.95613	4.1
101.02467	2.3
107.01415	4.0
108.02192	17.8
109.02984	3.2
111.00850	1.6
113.02496	1.7
123.00899	7.9
125.02464	21.8
132.04131	0.9
133.05074	1.1
137.02489	1.0
139.00388	3.9
140.01109	1.8
151.00365	5.6
152.01149	15.1
153.01952	8.3
163.03993	1.2
168.00667	6.2
169.01442	38.4
170.01823	2.2
181.05040	2.8
186.77986	0.9
211.02496	22.7
212.02879	1.5
218.46741	1.1
241.03629	1.1
251.26537	1.0
261.00583	4.6
271.04617	39.9
272.04977	2.9
285.06152	23.3
286.06528	2.2
300.99918	6.1
302.00266	1.8
303.00476	1.6
313.05762	5.0
330.10062	1.0
331.06717	10.5
377.62708	1.0
387.09354	18.3
388.09631	1.5
404.67828	1.1
429.10410	5.8
447.11462	100.0
448.11853	11.4
465.06659	5.9
633.07336	1.3
635.08600	9.9
636.08673	1.6
675.06189	1.2
758.44550	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16692	0.5
98.20730	1.4
115.46510	0.5
117.54198	0.5
119.04988	0.5
133.02985	0.6
145.02994	1.4
163.04024	1.3
169.01389	0.5
173.02432	1.4
185.02408	1.5
195.22823	0.5
201.01987	2.6
229.01329	3.5
229.37688	0.7
242.62306	0.5
245.00923	1.4
257.00919	1.8
283.99658	2.7
285.00385	0.7
285.04050	0.9
299.99094	2.4
300.99915	100.0
302.00262	6.9
320.18411	0.5
454.50021	0.5
558.87598	0.5
634.47302	0.6
679.73676	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88293	0.2
67.06962	0.2
69.03474	0.2
69.74889	1.0
71.01401	0.3
74.68285	0.2
79.95751	3.4
96.96021	100.0
97.95947	0.4
107.01409	0.7
110.28426	0.2
121.03104	0.2
123.00893	0.5
125.02460	6.6
139.00346	0.3
140.01120	0.4
143.03577	0.2
151.00378	0.4
167.03435	0.2
168.00604	0.5
169.01439	9.4
170.01831	0.4
211.02477	0.7
271.04584	0.6
295.04504	0.4
300.99899	0.3
306.73267	0.2
313.05682	1.9
370.68774	0.2
423.05902	0.3
465.06641	1.4
483.07620	0.4
635.08899	13.4
636.09393	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	733.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32870	0.8
59.01376	0.7
69.20023	7.4
71.69929	0.7
75.77389	0.8
77.39095	0.7
79.41171	0.7
93.26048	0.8
96.96028	1.5
121.02961	1.2
125.02473	3.5
145.02887	0.8
160.01741	0.8
165.05632	0.9
169.01413	6.8
195.06790	0.7
200.01157	1.0
201.01863	0.9
216.00618	1.7
242.99277	1.3
243.99974	2.3
271.99847	0.8
285.04059	9.7
286.04498	1.1
298.98364	1.5
299.99121	97.0
300.99615	9.7
315.01480	100.0
316.01810	8.5
417.08438	3.8
737.36035	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3457
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.3
61.98837	100.0
75.00881	0.5
78.95936	0.2
88.98830	0.5
96.96023	1.0
158.55922	0.2
171.10295	0.4
197.46089	0.3
209.11787	0.5
210.12294	0.3
211.13417	0.8
285.16956	0.2
301.00006	0.4
345.55911	0.2
472.53888	0.2
519.48883	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23441	0.5
59.01377	1.5
61.98829	1.2
62.11790	0.5
63.68312	0.5
69.03482	0.5
71.03874	1.1
78.95913	35.8
79.95742	3.7
81.03761	0.5
96.96013	100.0
96.96964	46.9
117.03461	2.3
119.05015	1.7
120.86643	0.5
124.60088	0.5
128.89398	0.5
145.02974	7.6
145.81654	0.5
159.87224	0.5
163.03999	0.9
209.11844	6.1
211.13409	7.0
212.13785	0.9
253.09283	0.5
269.16830	0.5
414.10434	0.5
417.48859	0.5
447.22385	0.8
633.38104	1.6
655.36658	0.7
671.32886	0.6
731.35065	5.1
732.35785	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
64.19151	0.7
70.77790	1.4
70.78127	0.8
73.05141	0.7
88.02806	0.6
95.01392	0.9
96.96001	1.5
97.66904	0.6
123.00890	2.3
125.02477	4.2
145.02948	1.1
150.68436	0.6
157.02954	0.8
168.33647	0.7
169.01431	3.7
173.02458	1.3
175.03877	1.3
185.02441	3.0
191.03459	0.7
201.01939	2.2
203.03497	2.3
229.01440	5.8
231.02977	2.5
245.00966	2.3
249.04048	2.7
257.00931	5.2
258.01486	1.3
273.00510	1.0
275.01956	11.6
276.02399	1.2
283.99670	2.3
299.99072	1.3
300.99918	100.0
302.00311	7.3
319.43164	0.7
380.30017	0.7
463.05295	2.1
549.15576	0.7
633.07367	61.4
634.07800	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	731.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10410	0.5
56.55303	0.5
70.06610	0.4
73.57333	0.5
74.03159	0.4
74.45399	0.4
79.95752	4.5
83.24599	0.5
95.01360	0.6
96.96021	100.0
97.95977	0.5
98.19900	0.8
99.46780	0.5
123.00865	0.7
125.02479	0.8
129.66357	0.5
145.02975	0.9
163.76245	0.4
170.36005	0.4
173.02353	0.9
175.04016	0.6
185.02467	0.9
189.01961	0.7
201.01958	1.3
203.03531	1.2
217.01355	0.6
219.03004	0.5
229.01405	2.7
245.00854	2.3
247.02437	0.6
249.03996	1.3
257.00937	2.2
258.01639	0.8
273.00372	3.7
274.01172	1.7
275.01984	6.7
283.99643	0.8
299.99365	1.1
300.99911	40.6
302.00220	3.2
463.05188	0.9
633.07361	45.8
634.07629	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	731.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20372	0.2
65.37096	0.3
79.95748	4.5
95.01393	0.5
96.96022	100.0
97.95947	0.5
98.53336	0.3
123.00858	0.5
125.02451	0.9
132.94597	0.3
133.80817	0.3
139.00403	0.3
156.18347	0.3
164.08255	0.3
169.01463	0.6
173.02460	0.4
175.04025	0.5
185.02441	0.7
201.02007	0.7
203.03537	1.1
229.01448	1.5
231.03049	0.7
235.77031	0.3
245.00960	1.0
249.03996	1.3
257.00848	1.6
273.00449	0.3
275.02020	4.0
283.99640	0.5
299.99103	0.7
300.99902	29.7
302.00259	2.5
463.05273	0.5
633.07367	28.0
634.07819	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	730.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.7
61.98838	100.0
65.54890	0.3
69.97678	0.3
80.96523	0.5
81.14124	0.2
106.45392	0.3
107.14602	0.3
171.10312	1.0
172.10687	0.9
173.10774	0.4
229.16684	0.3
277.21924	1.0
278.22208	1.0
279.22601	0.9
364.06610	0.3
731.37427	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.4
61.98835	100.0
73.15045	0.2
80.96502	0.3
98.20701	0.7
101.27045	0.2
154.80350	0.2
171.10310	0.8
172.10680	0.3
277.21759	0.5
278.22141	0.4
287.98901	0.3
320.95840	0.2
328.50381	0.2
731.37079	0.6
763.25977	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	80.9
68.12937	32.3
70.69105	68.6
76.72078	25.6
81.81782	25.0
94.57845	23.4
106.97265	26.5
113.20647	27.1
121.37936	29.9
124.75493	33.6
136.75261	34.1
197.11882	100.0
219.20816	31.5
277.21606	41.2
388.67709	27.0
549.15466	27.9
729.39709	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	729.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	11.9
60.61105	3.3
61.98841	30.9
63.05559	3.3
65.60316	3.5
71.01375	10.4
71.56715	4.3
77.81931	3.2
78.95901	7.7
83.05045	5.1
84.01404	3.8
84.49816	3.3
88.98809	4.9
96.96027	78.3
96.96656	5.3
96.96959	8.2
101.02470	4.0
106.53219	3.3
109.06628	5.2
167.10786	5.6
169.01431	5.7
175.58594	3.8
186.78719	3.2
195.13921	7.4
197.11815	9.0
201.11288	19.8
205.12297	10.5
205.97739	3.2
207.10211	5.7
209.11835	86.6
210.12155	7.2
211.13402	18.4
223.13408	100.0
224.13727	4.5
225.11325	4.6
227.12900	14.5
235.08112	6.3
253.09290	14.2
277.93695	3.5
299.99207	3.8
300.99960	10.5
309.20752	12.4
459.22076	18.4
464.03198	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	729.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39881	0.1
55.18715	0.1
59.01405	0.2
60.74775	0.1
61.98831	0.8
69.28869	0.1
69.29175	1.4
79.95747	3.5
88.98817	0.4
96.96024	100.0
97.95950	0.4
98.20638	0.3
120.08220	0.3
122.03749	0.2
122.06102	0.7
129.77252	0.1
138.64099	0.2
147.04469	0.1
165.05550	0.3
179.10742	0.2
208.88071	0.1
225.16577	0.1
231.56998	0.1
277.09875	0.2
291.11462	0.2
292.12225	0.3
293.12970	0.3
335.10519	0.2
361.16507	1.5
388.82434	0.2
476.18314	0.3
508.20975	0.8
545.53607	0.2
599.25177	0.9
631.27740	2.0
632.28265	0.3
729.29401	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.4
61.98835	2.1
69.26485	0.9
71.01376	0.2
78.95901	0.2
79.95749	3.3
96.96022	100.0
97.95966	0.5
120.08214	0.3
122.06133	0.5
125.02435	0.2
141.99973	0.1
164.04889	0.1
169.01466	0.2
195.06580	0.1
208.33919	0.1
209.11894	0.5
227.12886	0.2
251.11942	0.2
269.04556	0.1
277.09839	0.2
291.11459	0.4
292.12213	0.4
293.12967	0.4
300.99768	0.2
310.87558	0.1
335.10446	0.1
336.11261	0.1
337.11826	0.2
414.18423	0.2
435.18329	0.1
476.18228	0.2
487.33786	0.2
488.34998	0.4
508.21106	0.6
599.25305	1.0
600.25665	0.2
631.27728	1.7
632.27905	0.3
660.57117	0.1
723.60382	0.1
729.34619	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	84.6
61.98839	16.7
69.07779	0.6
71.01400	1.3
71.13847	1.1
72.48972	0.6
72.99328	0.8
73.02950	0.9
74.47884	0.6
76.44182	0.6
77.19436	0.6
78.95926	1.2
79.95751	0.6
80.91714	1.4
85.02992	1.1
87.04527	0.7
88.98799	1.0
92.30354	0.6
93.03482	0.7
96.96027	12.8
99.04572	0.7
101.02460	1.2
107.01421	1.6
111.18226	0.6
121.02967	2.0
122.03778	1.9
123.00892	3.2
125.02470	4.0
136.01711	0.7
137.02505	0.7
144.68770	0.6
149.02435	4.1
150.03246	11.8
151.00394	14.0
165.05609	15.0
166.02744	59.6
167.03091	2.6
169.01488	3.7
179.10818	1.1
180.04208	0.9
181.05096	100.0
182.05441	4.7
195.06664	16.2
196.06963	0.7
209.11890	2.8
211.13437	1.1
225.11472	1.2
227.12967	1.3
253.09216	1.7
300.99878	2.0
329.10239	2.3
329.14032	1.9
373.52686	0.6
377.12531	0.8
445.20471	0.7
505.20969	1.0
523.21802	0.9
531.33356	1.0
691.36749	0.7
729.31897	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	727.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	13.9
61.98856	0.5
69.01656	0.4
69.39484	0.3
71.01376	1.8
73.02968	0.4
78.95927	0.5
85.02972	0.6
89.02467	1.0
96.72038	0.3
98.19874	0.7
101.02415	1.5
108.06456	0.3
113.02462	1.0
125.09737	1.2
127.11310	1.8
140.56332	0.3
152.99579	0.4
153.09212	0.6
161.04541	0.6
171.10284	100.0
172.10609	4.4
202.65425	0.3
209.11830	0.6
235.08185	1.7
253.09314	5.0
254.09653	0.4
255.23405	0.4
271.22702	0.5
277.21738	50.5
278.22025	4.3
367.91684	0.3
407.19418	2.3
455.35162	0.5
456.36053	0.3
512.47614	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80853	0.1
54.90845	0.1
57.44594	0.1
59.01385	2.4
60.01708	0.3
61.01829	0.2
61.98837	100.0
62.98557	0.2
69.27383	0.3
69.27791	0.7
79.78556	0.1
94.55029	0.1
96.96003	0.3
119.05099	0.1
125.02448	0.2
133.07700	0.1
169.01476	0.2
197.53053	0.1
298.18185	0.1
300.99951	0.3
350.85843	0.1
486.32697	0.2
487.33832	0.2
488.33591	0.3
503.34085	0.5
504.34195	2.2
505.34476	2.8
506.34738	3.4
507.35236	0.2
668.39722	0.2
700.39905	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	727.428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77631	0.4
53.58812	0.4
53.66475	0.5
59.01384	17.9
71.01393	2.1
73.02966	0.5
78.95925	0.4
83.01401	0.4
85.02954	0.8
89.02460	1.4
89.37006	0.4
101.02461	2.4
113.02467	1.3
125.09753	0.6
127.11319	0.9
145.81706	0.3
153.09273	0.5
161.04637	0.7
166.64734	0.3
171.10283	89.3
172.10637	3.8
209.11812	1.4
210.12155	0.9
235.08258	3.7
236.08763	0.4
253.09308	8.3
254.09734	0.7
259.20435	0.4
270.70532	0.4
277.21741	100.0
278.22083	11.1
279.23233	0.9
280.23682	1.3
281.24628	0.5
357.40845	0.4
407.19193	0.8
513.30853	1.0
527.37354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	3.6
59.01386	51.8
61.98839	71.8
69.20811	9.3
69.21232	12.3
71.01378	13.2
72.99294	2.9
73.02950	2.7
75.00872	8.5
78.95894	2.6
79.95744	3.2
82.95435	2.7
83.05065	3.0
85.02976	6.2
87.00908	2.2
88.98827	5.3
89.02456	10.2
96.96023	100.0
96.96986	4.5
101.02431	9.8
109.06605	2.7
112.98632	2.3
113.02440	5.9
119.03541	3.5
121.02998	3.6
125.02458	5.7
137.02454	2.8
151.04025	2.6
160.52406	2.0
161.04630	4.2
163.11179	2.5
165.05598	4.3
169.01395	7.2
171.10281	9.3
179.05544	3.7
181.12373	2.3
185.11899	4.7
193.07864	2.4
199.13322	3.0
201.11378	2.1
207.10312	8.6
209.11847	31.3
211.13443	16.3
225.11282	11.5
227.12877	9.5
245.00642	1.9
253.06651	4.5
253.09306	84.2
254.09622	3.7
285.04166	4.2
287.01889	2.6
295.10580	2.4
298.98495	2.1
299.99362	2.2
300.99908	7.7
307.17334	2.4
329.10495	2.6
341.10156	3.9
375.18243	10.0
455.26581	30.6
456.26855	4.4
492.52979	3.2
505.34964	6.0
550.79388	2.5
586.42908	2.1
634.50177	2.1
655.33350	2.9
691.35626	9.1
727.32996	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	727.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.1
57.03462	5.2
58.00602	1.3
59.01385	31.6
65.03978	1.5
67.01886	3.1
68.99809	2.0
69.03460	7.5
71.01390	17.8
71.32716	1.6
71.33035	1.3
72.99325	3.0
73.02952	12.6
81.03457	4.8
83.01395	5.1
83.05025	2.6
85.02962	60.5
86.03256	1.8
87.00887	100.0
88.01234	2.0
93.03475	6.5
95.01404	23.8
95.05177	1.1
97.02965	28.9
99.00893	2.6
99.04539	3.7
101.02442	2.6
103.04023	8.6
107.05006	1.6
109.02957	9.7
111.00900	8.5
112.00515	1.1
113.02460	19.7
115.00366	9.5
115.04025	1.7
125.02457	3.8
127.04037	16.6
129.01974	1.4
137.02458	5.2
139.00395	16.1
139.03981	2.5
141.05617	1.2
145.05099	5.2
155.03526	2.2
157.01439	11.8
169.05066	3.9
171.02974	2.6
173.04559	4.3
175.02493	59.2
176.02782	1.8
181.01480	2.3
193.01569	1.4
199.02499	39.1
217.03522	21.9
241.03476	2.0
276.85477	1.0
283.29227	1.2
285.06064	2.5
300.99969	1.9
303.07248	21.3
321.08286	7.4
345.08356	7.9
387.09323	17.0
388.09595	1.2
395.47440	1.2
405.10455	7.6
563.12640	3.2
623.14996	8.5
685.18073	2.3
709.18561	19.0
710.18475	2.9
727.19415	19.2
728.19489	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	725.4126
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.1
61.06587	0.3
61.98843	2.8
63.43595	0.3
69.25457	2.2
71.01372	0.7
71.74160	0.3
75.00869	0.9
88.98817	0.4
89.02468	0.3
96.96038	1.4
101.02462	0.5
125.02472	0.4
137.13634	0.3
169.01393	0.5
175.04022	0.3
204.25552	0.3
209.11800	0.2
227.12796	0.3
233.69208	0.3
249.18370	0.3
250.59511	0.2
300.99911	0.3
312.99936	0.5
328.02356	0.7
343.04639	1.1
423.00400	0.6
453.30042	0.3
455.31702	1.3
457.66837	0.2
503.33835	100.0
504.34167	17.1
504.41809	0.4
545.34943	1.8
601.31744	0.3
665.38953	1.0
725.41858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.6
61.98838	15.2
71.01391	4.9
72.99321	3.3
73.02953	0.6
75.00879	100.0
75.26195	0.3
76.01228	1.2
79.95757	0.3
81.03447	0.9
83.05043	1.1
85.02958	0.6
87.00912	0.4
88.98801	0.7
89.02469	1.0
96.96013	2.2
97.02982	0.8
98.19855	0.6
98.59550	0.3
101.02448	2.0
109.06607	4.8
113.02447	0.6
116.92881	0.5
119.03516	0.4
119.05067	0.5
120.47651	0.3
121.02949	0.7
121.06604	0.6
125.02509	0.6
135.08145	0.6
137.02473	1.0
145.02966	0.6
161.04556	0.3
163.11334	3.1
164.11655	0.3
165.12840	0.5
168.07224	0.3
169.01318	0.4
171.10262	1.0
181.12364	0.9
185.11908	0.5
189.09119	0.4
199.09731	0.4
201.11366	0.3
207.10283	12.5
208.10632	0.9
209.11845	28.1
210.12090	1.6
210.79483	0.3
225.11337	7.3
226.11629	0.5
227.12889	5.2
228.13269	0.4
235.08307	0.8
247.02451	0.4
248.03009	0.4
253.09229	3.7
273.00500	0.3
282.93796	0.4
300.99982	2.4
302.00195	0.8
312.86835	0.3
338.51395	0.4
379.71631	0.4
399.21637	0.6
417.22791	0.5
443.18900	0.5
461.20313	2.2
488.33978	0.4
503.34024	1.8
595.99768	0.5
635.30634	0.8
653.31958	0.5
671.23431	0.4
671.32440	1.9
672.33618	1.2
694.18671	0.6
726.21796	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	33.7
69.30730	0.8
69.31147	2.7
79.03314	0.4
85.46996	0.3
89.02458	0.5
95.60542	0.3
98.19914	0.7
101.02433	0.8
113.02436	0.7
116.89312	0.3
117.41034	0.3
299.63843	0.3
421.31302	0.4
441.33868	1.5
457.32971	0.5
459.35226	1.7
485.32739	8.7
486.32944	1.1
503.33810	100.0
504.34180	17.8
545.34778	1.4
665.39185	4.1
666.39087	1.0
725.41852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.69412	0.2
59.01386	30.9
60.01724	0.4
61.98835	0.5
69.25887	2.3
71.01385	0.6
71.05029	0.6
73.02969	0.4
77.87666	0.2
78.27016	0.2
85.02954	0.3
89.02455	0.4
90.74256	0.2
95.01425	0.3
95.25617	0.2
96.96046	0.3
98.20676	0.5
100.65111	0.2
100.65837	0.3
101.02471	1.1
104.77966	0.3
113.02486	0.8
119.03535	0.6
125.02428	0.2
145.03075	0.3
160.39075	0.2
161.04602	0.4
169.01514	0.4
211.99591	0.2
233.00980	0.4
285.04025	0.4
301.00043	0.5
327.21912	0.3
377.28333	0.3
379.30276	0.3
409.31235	0.4
421.31055	1.0
423.29181	0.4
427.31714	0.3
435.29205	0.3
439.32150	0.3
443.31934	0.7
453.30139	2.4
454.30344	0.5
459.34753	0.5
481.92941	0.3
485.32770	6.8
486.33316	1.4
503.33829	100.0
504.34198	18.2
545.34985	0.6
665.39160	1.1
725.41394	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33110	0.4
58.00590	0.5
59.01386	22.9
60.38298	0.4
61.98836	0.7
71.01395	6.2
71.57058	0.7
72.99316	0.8
73.02937	0.5
85.02957	1.4
89.02451	7.0
95.01426	0.6
96.96016	1.8
101.02448	3.8
113.02448	2.7
119.03522	3.5
123.00896	0.4
123.04450	0.5
125.02498	1.3
131.03487	0.6
143.03485	1.0
145.02991	0.9
161.02419	0.4
161.04559	1.7
169.01414	1.4
175.04036	0.5
179.05638	4.6
189.02014	0.6
269.04767	0.7
275.02014	0.6
285.04175	0.8
300.99936	3.6
341.10471	1.1
425.30804	0.5
485.32663	1.3
489.51404	0.5
503.33826	100.0
504.34164	17.4
545.34448	2.1
586.92999	0.5
665.39258	1.2
725.40930	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	725.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	24.2
60.01715	0.3
71.01383	1.0
71.56741	0.5
73.02980	0.3
73.80204	0.3
85.02953	0.6
89.02444	0.6
90.12457	0.3
92.12643	0.3
96.96030	1.7
98.95611	0.6
99.00910	0.3
101.02454	1.4
106.42163	0.3
113.02490	1.4
113.05700	0.3
113.14888	0.3
119.03505	0.7
125.02448	0.5
137.02480	0.7
151.04092	0.3
161.04633	0.5
164.43813	0.3
165.01901	0.9
169.01410	0.9
197.02493	0.3
209.00894	1.2
269.00851	0.6
269.04428	0.6
275.01898	0.3
284.94791	0.3
297.00336	0.5
300.99933	5.7
302.00214	4.3
303.00418	3.2
323.99106	0.6
324.99927	5.8
326.00229	0.5
327.64258	0.3
352.99335	1.8
409.30841	0.4
425.30576	0.6
427.31909	0.6
437.30313	0.4
439.32214	0.3
472.01471	0.3
503.33820	100.0
504.34164	18.8
517.35339	0.7
545.35138	1.5
546.35095	0.5
629.57654	0.3
665.38928	1.0
707.05298	1.3
725.06335	3.0
725.40698	0.6
726.06982	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33110	0.4
58.00590	0.5
59.01386	22.9
60.38298	0.4
61.98836	0.7
71.01395	6.2
71.57058	0.7
72.99316	0.8
73.02937	0.5
85.02957	1.4
89.02451	7.0
95.01426	0.6
96.96016	1.8
101.02448	3.8
113.02448	2.7
119.03522	3.5
123.00896	0.4
123.04450	0.5
125.02498	1.3
131.03487	0.6
143.03485	1.0
145.02991	0.9
161.02419	0.4
161.04559	1.7
169.01414	1.4
175.04036	0.5
179.05638	4.6
189.02014	0.6
269.04767	0.7
275.02014	0.6
285.04175	0.8
300.99936	3.6
341.10471	1.1
425.30804	0.5
485.32663	1.3
489.51404	0.5
503.33826	100.0
504.34164	17.4
545.34448	2.1
586.92999	0.5
665.39258	1.2
725.40930	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	725.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	40.6
60.01708	1.1
60.99324	1.4
61.98841	18.8
65.19479	1.1
65.53020	1.1
67.01897	1.4
68.99868	1.5
69.03462	2.6
69.69832	7.0
71.01392	5.2
72.99323	2.0
73.02943	2.3
75.00895	6.5
77.88011	0.9
78.95919	1.6
79.01872	1.9
79.88631	0.9
81.03471	1.1
83.01390	2.0
83.58625	1.1
85.02970	2.7
87.00912	1.5
88.98814	1.6
89.02457	3.8
90.49655	1.2
95.00884	1.0
95.01401	6.5
96.96011	7.5
97.02941	3.0
98.19924	1.1
101.02454	4.6
107.01410	19.2
111.00872	3.6
112.57295	1.0
113.02444	4.6
116.92858	3.6
117.03494	2.5
119.03482	3.1
119.05033	4.4
121.02930	1.6
123.00911	22.3
124.01625	3.5
125.02459	81.0
126.02785	2.5
135.04564	1.3
136.98816	3.9
137.02438	2.4
137.21562	1.2
139.00414	9.8
140.01189	7.6
141.01878	1.6
145.02943	9.8
147.04515	1.5
149.02438	1.4
150.03178	1.1
151.00356	5.2
153.02003	1.4
157.06625	1.1
161.02423	1.2
161.04572	1.3
163.04045	5.3
165.05592	1.4
166.99919	6.6
168.00682	10.5
169.01447	87.9
170.01793	3.0
171.10304	1.6
175.03979	1.7
179.03496	1.1
181.05112	2.5
193.01430	2.3
195.06668	1.2
209.11835	2.1
211.02504	1.5
211.06291	1.3
229.05089	1.9
249.04013	2.0
299.99084	1.3
300.99924	5.0
302.00146	2.0
307.08246	5.0
313.05692	1.2
384.75333	1.4
385.08981	1.4
387.10748	1.8
401.15887	4.2
403.09967	8.0
408.29596	1.4
421.11441	18.1
422.11566	1.5
455.31586	4.4
456.32117	13.8
457.32678	3.5
458.33652	3.2
459.34579	3.0
501.32269	27.9
502.32623	93.6
503.33676	100.0
504.33789	1.4
544.33655	2.8
545.34790	3.4
555.11310	22.1
556.11499	1.7
563.21118	2.5
573.12518	35.9
574.12750	3.9
663.22766	2.3
665.38544	1.3
725.13574	74.5
726.13446	14.0
753.13922	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26530	0.2
55.01889	0.3
56.53162	0.2
59.01383	3.7
66.15120	0.2
66.27814	0.2
71.01383	2.7
73.02953	0.6
78.15594	0.2
80.02673	0.9
81.03449	1.0
83.01379	0.4
83.05032	3.9
83.05537	0.2
83.50473	0.2
84.02171	1.0
85.02967	0.8
86.00131	0.2
87.00872	0.5
87.16266	0.2
89.02451	2.0
92.48395	0.2
95.01425	0.4
95.05038	0.6
95.78119	0.2
97.02983	0.2
97.06572	0.2
98.19917	0.3
98.61492	0.2
99.00855	0.3
99.04509	0.2
101.02449	2.5
103.04004	0.2
109.06563	0.2
113.02454	1.3
119.03504	0.5
125.06106	0.5
135.08165	0.7
143.03531	0.6
145.05141	0.3
147.11847	0.3
161.04544	1.0
163.11316	3.6
164.11575	0.3
165.12854	2.3
165.51450	0.2
179.05626	0.3
181.12421	0.6
191.10713	1.1
191.12172	0.2
192.17349	0.2
199.13300	0.2
209.11833	100.0
210.12181	6.1
223.01450	0.2
227.12895	10.2
228.13211	0.8
233.22867	0.3
235.08228	2.9
253.09293	8.1
254.09729	0.3
259.20587	0.2
275.20169	0.2
277.21729	72.3
278.22073	8.2
287.60352	0.2
350.68469	0.2
445.20798	0.8
527.94635	0.2
537.96185	0.2
723.43176	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73980	0.2
55.01884	0.3
56.87467	0.2
57.03481	0.4
58.00615	0.3
59.01386	4.6
69.03462	0.2
70.86749	0.4
71.01390	3.4
71.01779	0.3
73.02961	1.0
73.63214	0.2
80.02699	0.8
81.03481	0.8
83.01398	0.6
83.05029	3.2
84.02204	0.8
85.02969	0.9
87.00903	1.0
89.02446	1.7
89.59528	0.2
95.01399	0.4
95.05033	0.5
101.02457	3.0
113.02483	1.7
119.03519	0.5
125.06084	0.4
133.05086	0.4
135.08171	0.3
145.05064	0.7
147.11885	0.3
159.12323	0.2
161.04529	1.1
163.11324	2.9
164.06743	0.2
165.12869	1.6
172.54257	0.2
178.94504	0.2
179.05649	0.2
181.12378	0.6
191.10826	0.7
201.92627	0.2
209.11850	75.7
210.12204	5.1
227.12891	8.5
228.13210	0.5
233.22758	0.3
235.08249	5.8
235.10660	0.3
236.08543	0.3
253.09314	9.5
254.09778	0.3
275.20157	0.3
277.21738	100.0
278.22083	9.6
293.84662	0.2
375.02502	0.2
452.55350	0.2
463.21887	0.3
513.30664	0.3
754.00317	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.1
57.03442	0.1
58.00624	0.2
59.01386	3.1
69.03479	0.2
70.05424	0.4
71.01392	2.4
71.05009	0.2
73.02969	0.4
77.00182	0.1
80.02671	1.0
81.03471	1.1
83.01381	0.5
83.05035	4.6
84.02182	0.6
85.02953	0.7
87.00911	0.3
89.02454	1.7
93.03448	0.1
95.01423	0.2
95.05026	0.6
96.24226	0.1
97.02950	0.1
98.19875	0.1
99.00903	0.1
101.02455	2.0
107.05034	0.1
107.21925	0.1
109.06602	0.2
113.02470	1.0
119.03534	0.5
123.52276	0.1
125.02523	0.1
125.06135	0.5
125.51644	0.1
131.03481	0.1
135.08194	0.5
143.03577	0.2
145.05017	0.1
147.11839	0.2
161.04616	0.6
162.11285	0.1
163.11317	3.4
164.11595	0.1
165.12872	2.2
166.13263	0.3
179.05650	0.4
181.12430	0.6
191.10783	0.9
192.11296	0.1
197.44226	0.1
199.13452	0.2
207.10336	0.1
209.11855	100.0
210.12187	6.5
227.12915	10.0
228.13164	0.7
235.08224	1.1
253.09308	7.4
254.09680	0.3
257.04907	0.1
259.20639	0.2
275.20071	0.2
277.21744	48.4
278.22104	5.3
329.23273	0.1
441.89355	0.1
445.20938	0.7
446.21683	0.1
463.21680	0.2
655.58014	0.1
723.43164	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.5
61.98827	0.5
64.14187	0.3
65.08563	0.3
69.30686	3.0
71.01394	2.3
73.02948	2.9
85.02935	0.7
89.02464	1.5
96.96028	0.8
98.40277	0.3
101.02441	1.9
105.49921	0.4
113.02454	1.1
117.03445	0.5
119.03513	1.7
119.05018	0.4
125.02457	0.6
131.65027	0.3
145.02969	2.4
146.03230	0.4
150.03203	0.6
151.00345	0.5
163.03996	0.4
165.05609	0.4
166.02736	1.6
167.03307	0.4
169.01430	0.7
179.07109	0.3
181.05070	1.5
250.00505	0.3
300.99973	0.9
307.08310	1.4
393.28195	0.5
407.29739	1.8
409.31305	0.6
423.29010	1.6
425.30838	1.4
437.30560	1.0
439.28079	0.5
455.31680	35.9
456.31976	4.9
457.33615	2.1
501.32266	100.0
502.32611	14.9
503.15652	1.1
543.33466	2.9
544.33746	0.6
573.34180	0.9
663.37506	0.5
685.21350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	19.4
59.45765	5.5
60.88517	7.5
61.98835	100.0
63.87903	5.7
67.04783	5.1
68.55497	5.5
70.11780	12.1
70.12177	11.5
71.01386	12.1
80.91672	9.0
80.96510	8.2
85.05611	6.4
88.98788	10.6
96.17422	6.5
96.96003	24.1
101.02446	6.0
109.06566	6.8
112.98765	7.2
116.98420	6.2
117.31850	5.4
121.02969	6.4
142.99898	27.0
163.11295	10.1
169.85310	5.2
173.00926	18.3
207.10220	30.0
211.13405	58.9
225.11301	14.1
233.11647	12.1
235.08061	5.5
237.14946	6.0
244.98601	6.6
253.09285	7.8
369.23123	6.7
383.22397	10.5
401.23151	8.6
461.20090	10.2
501.32147	43.8
502.32602	11.5
575.48407	7.4
619.32562	7.4
623.01501	7.2
637.32111	40.4
638.32501	7.8
655.33350	43.2
696.11108	6.4
723.33167	32.4
724.34204	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	723.121
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77340	0.5
69.35780	4.2
70.11446	0.5
96.96032	3.9
103.50944	0.5
125.02423	0.6
145.02972	1.1
157.02914	0.7
169.01411	1.0
173.02423	1.9
185.02443	2.0
201.01917	1.9
229.01430	3.1
245.00897	1.6
257.00818	1.0
258.15091	0.6
265.24686	0.6
268.55914	0.6
273.00330	0.8
283.99631	2.8
299.99179	2.4
300.99915	100.0
302.00223	9.0
385.42233	0.6
386.24826	0.7
406.27197	0.6
501.31943	0.8
723.24957	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.65081	0.4
58.00596	0.5
59.01388	7.7
69.89680	1.8
71.01385	4.5
73.02964	0.8
80.02695	0.5
81.03472	1.1
81.79920	0.4
83.01396	0.9
83.05042	1.2
85.02970	1.0
87.00890	1.3
89.02454	2.6
97.02952	4.2
99.00894	1.4
101.02462	4.4
107.05049	0.6
109.06597	15.0
110.03754	1.3
111.79065	0.4
113.02460	2.4
119.03515	0.9
121.06588	1.1
123.04588	0.5
125.09706	0.6
129.26233	0.4
135.08127	2.0
136.05290	1.1
142.02715	1.2
145.05110	0.9
161.04596	1.4
161.09718	1.0
163.11307	8.8
163.12578	0.8
164.11594	0.6
179.10785	1.0
181.12386	2.6
189.09230	2.1
206.54449	0.4
207.10275	52.5
208.10640	3.2
209.11839	1.8
225.11342	17.2
226.11639	1.1
231.44707	0.5
235.08218	5.2
253.09303	10.8
254.09561	0.7
259.20645	0.6
277.21735	100.0
278.22131	9.2
299.15109	0.6
387.29053	0.5
441.33600	0.5
443.19162	3.1
461.20303	4.3
523.77435	0.4
559.36377	0.6
703.40375	0.9
721.41675	23.5
722.41907	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
57.03454	0.5
58.00586	0.3
59.01384	11.6
61.98831	0.3
69.03458	0.6
70.57328	0.8
71.01392	6.5
72.99318	0.4
73.02958	1.1
75.00929	0.2
80.02695	1.3
81.03465	2.8
83.01409	1.2
83.05031	3.1
85.02962	1.6
87.00880	1.1
89.02467	3.7
93.03461	0.6
95.05048	0.9
97.02962	6.9
97.06623	0.4
99.00887	1.7
101.02460	4.6
106.04243	0.7
107.05048	0.9
109.06606	34.4
110.03748	1.4
110.06950	1.0
111.00888	0.3
113.02464	2.3
119.03528	1.3
121.06615	2.0
123.04567	0.8
125.09752	0.3
133.05150	0.4
133.06625	0.4
135.08188	4.5
136.05301	1.3
142.02759	1.9
143.03516	0.3
145.10278	0.6
161.04576	1.9
161.09767	2.1
163.11310	19.0
164.11682	0.8
165.09267	0.4
179.05656	0.7
179.10818	0.5
181.12372	4.5
189.09218	3.3
197.11858	0.3
207.10283	100.0
208.10631	6.1
209.11896	1.5
225.11340	36.7
226.11684	1.9
233.22856	0.4
235.08200	3.0
243.12378	0.8
249.97160	0.2
253.09322	13.6
254.09712	0.6
268.50455	0.2
275.20233	0.3
277.21744	76.9
278.22101	7.2
281.13913	0.8
299.15060	1.2
340.12048	0.3
404.52145	0.3
423.32483	0.5
425.18286	0.3
441.33954	1.7
442.34100	0.4
443.19229	5.8
444.19638	0.4
461.20316	12.9
462.20593	1.4
467.31796	0.6
485.32999	0.9
527.16650	0.3
554.24243	0.3
703.40485	0.9
721.41754	32.1
722.42065	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	720.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50311	0.1
58.44473	0.2
59.01382	0.2
61.98837	100.0
62.98544	0.2
70.29549	0.4
70.29907	0.2
71.01434	0.1
86.06050	0.1
88.98843	0.2
96.96037	0.7
97.90123	0.1
98.19958	0.2
125.02473	0.2
134.04755	0.1
195.96231	0.1
209.11882	0.3
211.13460	0.6
212.13927	0.2
217.44267	0.1
241.14668	0.1
251.60233	0.1
316.21762	0.1
385.84882	0.2
402.39499	0.1
458.55145	0.2
720.29889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92395	0.9
59.01384	8.6
60.99317	18.7
61.98834	14.0
71.01395	2.8
72.99316	1.9
78.95850	1.3
80.96528	2.8
82.95419	2.0
85.02962	1.1
86.17769	1.4
88.98815	100.0
89.02484	1.2
96.96024	7.4
97.42149	1.0
98.19897	3.9
101.02446	1.5
107.03844	1.0
110.06127	1.3
119.05023	2.0
120.08221	7.1
121.03002	1.2
122.06127	13.7
123.00926	2.1
123.01781	1.1
125.02440	3.6
151.00322	1.6
163.03978	2.5
165.05577	2.2
166.02657	1.8
169.01414	4.4
171.10229	1.4
174.05551	1.9
181.05086	1.9
197.11774	1.5
203.05919	1.9
209.11826	4.3
210.12102	1.3
230.55753	1.3
237.10486	1.7
251.11852	7.2
253.09285	1.1
263.08118	1.6
263.11850	1.2
264.09076	1.7
265.09705	1.3
277.09766	4.5
278.10519	3.0
285.03824	2.3
291.11325	9.4
292.12173	10.0
293.12997	6.7
295.10834	1.2
300.99860	4.0
311.10175	1.3
324.11172	1.2
325.15576	1.7
335.10306	2.6
336.11026	4.0
337.11774	2.4
372.17154	3.5
402.18188	1.8
414.18234	3.3
418.17758	1.8
432.19336	2.9
433.20053	1.6
442.46045	1.2
451.28558	6.3
455.31641	1.2
458.16653	1.4
459.18002	1.8
469.29529	2.5
476.18280	5.6
477.18842	3.3
485.32996	1.3
499.30725	33.4
500.31259	3.2
508.14139	1.8
508.21033	22.4
509.21539	4.3
537.24536	1.7
555.25977	4.1
581.24274	2.8
599.25122	25.1
600.25531	4.2
613.26501	2.4
631.27667	44.4
632.28400	7.9
649.39917	5.0
659.36328	5.7
689.32733	2.6
721.31598	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	719.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
55.14833	0.3
57.03447	0.4
59.01392	3.0
61.98840	10.7
61.99163	0.6
70.81952	0.8
71.01382	3.9
73.02962	0.7
73.80685	0.3
80.02689	1.0
81.03473	1.5
81.75102	0.3
82.95428	0.5
83.01408	2.1
83.05038	4.8
84.02169	2.0
85.02954	1.0
86.38842	0.3
87.00863	0.5
88.98830	1.0
89.02446	1.9
93.03455	0.4
95.01392	0.4
95.05048	1.1
96.96001	2.0
97.03002	0.5
97.06630	0.5
101.02454	2.7
107.01411	0.3
109.06647	0.4
111.04510	0.3
111.08157	0.3
112.98561	0.7
113.02479	1.3
116.92870	0.4
119.03545	0.6
125.02460	0.4
125.06116	0.5
125.09726	2.8
127.11277	0.8
135.08167	0.8
147.11815	0.6
152.48460	0.3
156.71794	0.3
161.04588	1.0
163.11330	3.9
164.11557	0.4
165.05705	0.3
165.12880	2.8
169.01401	0.6
169.35918	0.3
171.10297	2.0
181.12375	1.0
182.12978	0.4
191.10815	2.5
200.45529	0.3
207.10297	0.4
209.11848	100.0
210.12184	6.3
210.14175	0.3
223.13426	0.6
226.12140	0.6
227.10712	0.7
227.12912	10.2
227.15166	0.6
228.13220	0.7
235.08231	3.1
239.12964	0.5
241.14441	1.3
243.16052	0.9
253.09309	12.3
254.09698	0.6
273.17102	84.7
274.17429	7.0
300.99905	0.7
445.20844	1.3
465.28659	1.4
466.29260	0.4
483.29272	0.3
509.26001	0.9
523.98840	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64310	1.2
54.78238	1.2
59.01384	9.0
61.98836	100.0
66.08491	1.3
69.03470	1.9
71.01382	5.0
71.05007	1.4
71.56786	1.5
73.02944	1.3
73.11079	1.1
78.95906	2.7
83.01415	1.5
87.00886	1.9
89.02457	3.4
95.91115	1.2
96.96027	3.6
97.02946	2.5
101.02444	3.4
113.02422	1.9
121.03000	1.8
125.02460	2.0
161.04532	1.7
163.11293	2.5
165.12938	1.2
169.01584	1.3
169.12367	3.6
171.10287	1.4
179.10741	1.8
183.13928	5.8
185.11847	3.1
195.14082	1.3
197.11844	46.1
198.12286	1.9
199.13414	11.8
207.10205	9.8
208.10687	1.5
209.11879	6.9
211.13409	74.4
212.13808	5.6
219.40332	1.4
226.11925	1.7
227.12895	20.0
228.13246	2.0
235.08305	2.2
239.12892	18.8
240.13339	1.3
253.09332	9.8
255.23384	1.9
271.15460	4.0
273.17105	39.5
274.17490	2.1
300.99982	2.4
433.20813	4.9
447.22452	4.5
453.03754	2.1
463.21811	2.5
609.32971	2.3
627.34326	2.5
719.38422	4.5
720.41064	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	718.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
60.95893	0.7
61.98836	7.1
69.44238	0.6
78.95908	12.5
83.05048	2.0
96.22073	0.7
97.43869	0.7
122.00114	1.3
140.01189	5.2
152.99619	1.1
163.11313	1.2
165.12854	0.9
196.03842	2.7
200.76692	0.9
201.15276	0.8
208.90334	0.6
209.11841	26.8
210.12152	1.9
210.69214	0.7
212.50269	0.7
219.00839	0.7
227.12906	6.0
229.12250	0.7
277.21713	1.9
279.23312	100.0
280.23697	8.4
406.16467	0.8
424.17044	0.8
443.86734	0.7
456.20160	2.5
686.40314	10.5
687.40918	2.4
718.43054	27.9
719.43634	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	718.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29976	0.9
54.10797	0.8
58.31107	0.8
61.98846	2.1
70.53836	1.8
70.54176	1.1
77.31479	0.8
78.95919	20.0
80.02665	2.3
81.03456	2.6
83.05041	8.0
84.02177	1.9
96.96975	1.1
122.00156	2.4
140.01201	7.5
145.02876	1.1
152.99620	1.1
163.11295	5.6
165.12854	2.3
181.12425	2.2
191.10883	1.3
196.03816	4.0
209.11848	100.0
210.12247	4.5
227.12914	25.8
228.13200	1.2
259.15488	2.4
279.23312	58.4
280.23721	4.9
395.63751	0.9
476.27975	4.0
686.40314	16.3
687.41272	2.7
718.43109	49.1
719.43402	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39323	0.4
69.22575	0.5
72.67641	0.6
89.46690	0.5
98.67649	0.5
128.98674	0.6
133.91832	0.6
145.02956	1.4
157.02921	1.2
161.02470	0.7
163.04117	0.6
169.01381	0.6
173.02429	1.3
185.02495	2.8
201.01973	2.5
223.87352	0.6
226.99963	0.6
229.01370	4.4
245.00862	2.1
257.00897	2.2
283.99622	3.2
299.99057	2.7
300.99921	100.0
302.00284	8.2
352.27237	0.6
417.08084	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.9
57.03428	0.6
59.01389	6.7
61.98838	37.1
64.91606	0.6
67.33189	0.6
69.03459	4.2
71.01390	7.8
71.05019	1.0
71.57667	0.9
73.02959	1.2
79.95738	1.7
80.02670	0.9
80.96548	3.2
81.03447	1.4
82.95414	0.9
83.01403	1.4
83.05044	4.9
84.02180	1.5
85.02966	1.2
87.00871	1.2
88.98798	0.8
89.02439	3.6
93.03493	0.7
94.98118	1.2
95.01360	0.8
95.05021	1.2
96.96030	5.6
97.02945	0.7
99.00927	0.9
101.02448	5.2
107.01376	0.7
109.06555	0.8
111.04550	0.7
113.02447	2.5
117.03457	0.6
119.04987	1.0
123.08176	1.2
125.02438	2.6
125.09734	2.4
135.08185	0.8
145.02968	1.5
151.00462	0.7
151.11279	2.8
152.03375	0.7
153.12915	1.5
161.04588	1.3
161.09750	4.5
163.04010	1.7
163.11320	5.2
165.12888	2.1
169.01413	1.7
171.10262	1.0
179.10799	8.7
181.12425	1.0
191.10706	0.6
197.11859	73.2
198.12213	4.0
207.10312	0.9
209.11856	60.5
210.12132	3.5
223.09680	1.0
225.00786	1.0
227.12866	4.2
235.08246	0.9
241.10887	4.9
253.09427	2.9
275.71451	0.6
287.81091	0.6
297.90472	0.6
300.99890	1.7
387.16357	0.7
459.19360	0.8
477.19696	2.0
497.28918	0.8
519.32794	0.8
525.28027	0.7
657.34955	1.2
687.32373	100.0
688.32715	20.6
719.35211	21.9
720.35370	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	718.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10491	0.1
52.50183	0.1
58.85014	0.1
59.01389	0.2
61.98836	100.0
62.05238	0.1
71.01385	0.2
73.66088	0.1
78.95929	0.3
96.96039	0.3
125.02454	0.2
169.01498	0.2
197.11891	0.5
199.13472	0.4
207.10344	0.3
209.11873	0.4
211.13371	1.3
227.12941	0.5
239.12964	0.4
253.09512	0.2
273.17126	1.1
301.00003	0.2
329.28177	0.1
383.37064	0.1
453.03845	0.2
718.39447	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01430	0.1
54.57069	0.2
61.98839	100.0
67.39828	0.2
70.05338	0.2
73.93465	0.2
84.71577	0.2
96.96040	0.3
98.19884	0.6
118.34218	0.1
121.03047	0.2
125.02479	0.2
211.13504	0.4
273.00424	0.2
273.17273	0.2
301.00049	0.5
304.65878	0.2
319.04819	0.2
382.57587	0.2
453.03976	0.3
463.24329	0.2
484.49158	0.2
487.34888	0.2
562.59149	0.2
590.42798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.4
60.13532	1.4
61.98837	35.2
65.57615	1.5
71.01397	3.4
71.03626	2.3
81.03482	1.5
82.95434	4.0
83.05038	3.7
88.98809	1.8
89.02432	2.1
96.36166	1.3
96.96025	6.0
97.54651	1.4
101.02442	3.5
112.28363	1.5
113.02453	2.0
125.02481	2.3
163.11310	3.3
175.09959	1.5
183.13905	6.4
209.11827	72.1
210.12175	4.4
211.13406	100.0
212.13782	6.2
227.12929	13.3
235.08350	2.1
253.09346	7.3
271.15750	1.7
328.66788	1.4
447.22400	7.8
504.59695	1.8
595.25183	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	716.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
61.98849	3.1
69.04971	1.1
78.95919	18.7
80.02673	2.9
81.03487	1.4
83.05041	10.4
84.02164	1.8
94.69608	1.1
96.96095	1.1
103.41578	1.1
122.00142	1.8
140.01218	11.3
142.74524	1.2
152.99554	1.4
163.11301	7.9
163.74266	1.2
165.12866	3.1
196.03769	3.4
209.11835	100.0
210.12190	6.6
227.12910	26.1
228.13144	2.2
249.51749	1.3
277.21750	52.1
278.22089	4.7
322.25967	1.2
474.26718	6.8
475.25815	1.4
684.38776	16.3
685.39087	3.2
716.41418	43.1
717.41895	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	716.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.6
61.98834	6.0
69.73634	4.0
69.74046	2.0
72.06141	1.0
74.45503	1.0
78.95913	18.7
83.05038	3.0
92.16567	1.0
119.05016	3.1
120.28730	1.1
121.02956	9.9
122.00095	1.6
140.01202	7.5
145.02940	3.5
152.99562	1.2
163.11319	1.6
165.12827	1.1
193.37769	1.3
196.03848	2.3
209.11832	34.0
210.12096	2.6
227.12860	6.7
250.81784	1.2
275.20059	1.4
277.21735	100.0
278.22128	10.2
300.99936	2.1
359.74216	1.0
406.16251	1.2
456.19812	3.1
496.76855	1.2
541.11115	1.3
617.38562	1.6
657.38000	8.4
684.39203	12.0
716.41455	34.9
717.42316	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	713.2668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	42.9
59.01688	2.3
60.01039	1.1
65.80018	1.3
69.71206	5.4
69.71604	2.3
70.37106	1.2
71.01401	8.6
78.95912	9.6
85.02950	3.8
89.02455	8.5
96.96038	2.1
101.02428	5.8
113.02441	4.8
116.53092	1.2
119.03540	4.7
123.00899	1.6
123.91290	1.1
125.02407	3.0
145.02963	7.6
147.08107	1.1
163.11310	28.7
164.11717	1.4
169.01447	2.8
300.99826	4.6
387.16702	100.0
388.17163	10.1
398.17984	1.1
572.66846	1.3
614.05103	1.3
734.32367	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	713.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01364	21.7
61.98841	69.0
69.74538	23.1
69.74928	20.1
71.01385	18.6
78.91898	67.6
88.98792	14.4
89.02465	27.6
98.20568	12.6
101.02465	14.5
117.03474	16.3
125.02447	9.3
145.02965	66.4
185.99638	9.3
198.75734	9.8
235.08215	11.3
279.23300	73.5
284.46136	9.3
291.63736	8.9
397.13535	100.0
415.14511	38.5
655.36346	20.4
713.34692	82.5
714.35260	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	713.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87851	0.1
59.01387	0.5
61.61232	0.2
61.98838	4.0
71.56001	0.3
72.99313	0.2
78.43295	0.1
78.95901	0.5
79.95747	3.7
96.96021	100.0
97.95950	0.4
106.29984	0.2
112.98492	0.2
116.49045	0.2
120.08227	0.3
122.06138	0.7
125.02494	0.2
169.01471	0.3
186.93108	0.2
197.11848	0.3
209.11818	1.3
211.13402	1.0
212.51936	0.2
227.12901	0.3
240.34700	0.2
249.14896	0.3
251.11981	0.4
272.99908	0.2
277.09906	0.3
278.10828	0.2
291.11441	0.6
292.12140	0.6
293.12762	0.3
300.99802	0.3
335.10544	0.2
460.18753	0.5
492.21414	1.4
493.22150	0.2
498.13660	0.2
508.48801	0.2
530.16174	0.3
583.25732	0.8
615.28387	2.4
616.28967	0.4
653.23126	0.5
713.33752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52813	0.0
59.01385	1.6
60.01714	0.2
61.01815	0.1
61.98835	100.0
62.98547	0.2
63.99266	0.1
69.25327	0.3
71.01411	0.1
89.02457	0.0
96.96036	0.1
101.02459	0.1
113.02523	0.1
123.08257	0.0
156.72183	0.0
197.59959	0.0
267.47748	0.0
364.01721	0.0
418.92340	0.0
471.80945	0.0
487.34341	0.5
488.34674	1.7
489.35004	1.9
490.35275	2.5
491.35919	0.1
513.18170	0.0
652.40698	0.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.3
60.01721	0.2
61.01811	0.2
61.98838	100.0
62.98544	0.3
69.55938	1.2
107.51381	0.2
230.44774	0.2
244.69783	0.2
257.08389	0.1
487.34610	0.4
488.34668	1.7
489.35034	1.4
490.35229	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	712.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43617	0.1
59.01385	1.6
60.01704	0.2
61.01811	0.2
61.53714	0.1
61.98839	100.0
62.98534	0.2
71.02108	0.3
139.98904	0.1
157.18961	0.1
183.08586	0.1
185.15732	0.1
228.77174	0.1
487.34454	0.5
488.34726	1.5
489.34967	1.5
490.35239	2.1
490.41879	0.2
533.68011	0.1
568.42963	0.2
652.40704	0.2
721.70142	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	712.0643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	17.2
59.01644	2.9
69.03453	4.6
71.01394	8.8
71.56559	4.0
72.99285	2.5
89.02445	6.4
95.01389	16.8
97.02957	3.2
107.01407	3.5
117.03468	3.3
121.02982	2.9
122.07485	2.2
123.00900	38.9
125.02465	52.7
133.02988	6.1
135.04601	3.2
137.02464	2.9
139.00424	2.8
145.02983	13.6
147.04573	5.3
159.04564	4.1
160.06389	3.3
161.02496	15.7
161.07205	15.3
162.07550	7.0
163.00372	5.0
163.04053	9.2
165.01949	7.7
166.99884	46.2
169.01447	73.1
172.01620	2.8
173.02496	16.0
175.04036	7.3
175.08777	11.3
176.09081	6.4
177.09303	3.9
185.02411	3.3
189.02010	16.8
189.06718	32.2
190.02689	7.0
190.07050	11.4
191.03511	12.0
191.07259	3.3
201.01918	16.4
203.03522	7.4
203.08229	9.7
204.08696	3.2
205.01497	5.2
209.00772	4.9
209.04504	3.9
216.00783	4.2
217.01469	20.9
218.02037	3.6
219.03035	6.4
221.01042	3.0
222.01805	3.2
226.99768	3.7
229.01477	14.4
231.02986	5.2
233.00862	4.1
242.99373	5.7
243.02965	3.4
244.00133	5.3
245.00900	46.3
246.01387	4.7
247.02493	27.6
248.03123	3.6
250.59041	3.0
257.00891	11.1
261.00577	6.3
263.01770	3.1
270.98892	15.8
271.01617	2.6
271.99438	4.5
273.00421	83.5
274.01038	9.1
275.01883	15.2
291.01587	7.8
298.98404	26.7
299.01544	4.8
299.99152	18.6
300.99905	96.5
302.00229	8.4
312.99945	3.7
315.01373	4.7
316.99384	7.5
323.12439	26.1
324.12689	18.6
325.13013	12.9
343.01007	3.7
389.05823	3.2
405.04697	5.5
417.04605	5.0
433.03925	5.9
435.05801	3.3
443.02716	9.2
445.04135	100.0
446.04556	8.8
461.03613	31.7
462.04089	4.5
463.05252	62.2
464.05615	6.3
468.06802	5.3
469.07346	6.7
479.04550	4.0
569.05518	3.8
613.04718	55.6
614.05042	6.0
631.05560	30.4
632.06262	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	711.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02308	0.3
52.66344	0.3
57.03436	0.5
59.01387	14.4
59.01690	0.7
61.98845	0.7
69.03448	0.5
71.01379	1.8
71.04902	0.7
72.99320	0.3
73.02941	0.9
73.59450	0.2
78.95896	0.3
85.02972	0.7
87.00860	0.6
87.05632	0.3
88.98817	1.8
89.02453	3.1
93.03484	0.4
95.01399	0.3
96.96030	4.8
96.96951	0.3
98.95580	0.5
101.02443	2.2
103.00304	0.2
107.01392	0.4
113.02473	1.5
114.53938	0.3
116.92826	0.4
117.03484	0.4
119.03502	1.7
119.05013	0.8
121.02987	0.4
123.00895	0.6
125.02470	2.6
134.03735	0.3
135.04539	3.7
137.02405	0.5
139.00398	0.3
145.02945	0.9
146.08231	1.1
151.00427	0.3
161.02420	0.4
161.04572	0.6
163.03969	0.5
165.01891	0.4
165.05727	0.3
169.01459	2.9
175.04016	1.0
179.03500	3.4
179.05566	1.0
179.07092	0.5
191.03497	0.3
195.06731	0.5
203.03546	0.8
223.68637	0.3
237.04016	0.4
247.02429	0.9
275.01794	0.3
277.12357	1.0
298.98181	0.4
299.98932	0.7
300.99942	2.3
314.00586	0.4
405.13492	0.3
439.92123	0.3
445.33215	1.2
489.32260	100.0
490.32623	15.3
503.33884	1.5
531.33173	1.0
549.19055	0.4
651.37726	0.7
664.74927	0.3
673.22437	0.4
711.23767	1.0
711.39233	1.5
712.39606	0.4
712.93713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22749	1.4
59.01376	9.8
61.98836	100.0
69.44244	11.8
71.01376	5.2
72.99313	3.0
75.00858	5.3
78.95930	1.7
83.01418	2.0
85.02980	2.5
88.98793	2.2
89.02443	4.3
96.96024	18.4
97.32869	1.8
101.02448	4.4
123.04556	1.7
125.02439	2.8
138.01973	1.7
145.02953	3.5
152.03513	1.6
161.04572	1.9
163.04153	1.8
179.10878	1.8
197.11870	3.4
201.11366	7.3
207.10223	2.2
209.11876	22.9
209.15228	1.7
210.12111	3.1
211.13406	28.5
212.13675	2.6
225.11409	2.0
227.12917	7.4
234.52847	1.5
235.08287	2.2
253.09216	4.4
300.99899	7.1
307.08185	2.3
310.82504	1.9
335.06525	1.7
341.10339	1.7
343.11865	4.8
348.69965	1.4
353.56812	1.6
401.22351	1.6
445.20663	1.6
447.22162	5.6
463.22095	2.2
487.33780	2.6
488.34433	4.3
489.32767	6.9
631.33386	3.5
637.32318	2.4
639.33600	2.8
655.32770	2.3
711.33136	10.2
712.34833	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	711.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88228	0.8
55.74222	0.7
59.01384	3.4
61.98837	100.0
71.01402	2.0
71.56622	1.2
75.33775	0.7
96.96034	5.8
99.00813	0.8
101.02509	0.9
112.93374	0.7
119.78954	0.7
125.02395	1.6
131.09953	0.9
138.02031	1.2
138.03156	0.8
141.16252	0.8
145.03220	0.9
166.44427	0.9
169.01503	2.3
197.11847	11.6
209.11841	13.6
210.12112	1.2
211.13406	8.1
225.11365	0.9
227.13043	4.6
235.08206	1.7
253.09375	1.2
278.54089	0.8
300.99939	1.1
433.20911	1.7
488.34363	1.7
489.34698	1.4
625.32605	1.0
639.33807	1.4
655.33148	1.3
711.33441	4.5
712.33112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77234	0.6
59.01387	100.0
59.22567	0.5
60.01726	0.6
61.98838	43.7
71.01400	1.3
75.08789	0.5
78.95905	0.9
79.95764	0.6
80.84058	0.5
83.05068	0.7
85.02952	0.8
87.00928	0.6
88.98817	1.3
89.02480	1.1
96.96024	5.5
98.19882	1.4
101.02476	0.8
113.02492	1.3
116.92949	0.6
121.02983	1.1
123.04593	0.7
124.06731	0.6
125.02443	1.2
135.04536	0.6
136.01697	4.7
137.02469	1.6
147.04579	0.9
151.04025	6.0
169.01489	1.2
174.01518	0.5
179.10817	0.7
209.11862	14.7
210.12231	2.3
211.13394	1.9
227.12849	4.0
228.13348	0.7
235.08165	0.6
241.66260	0.5
253.09383	0.9
269.08350	3.3
283.09979	0.7
285.04398	0.6
299.09390	2.3
301.00037	1.2
311.09351	3.9
314.11612	4.7
322.43564	0.5
326.11569	3.4
327.12054	0.6
329.13962	20.5
330.14429	2.2
341.13934	10.7
342.14410	1.7
343.11945	10.2
344.12448	1.1
379.01498	0.6
445.20847	0.9
487.34052	2.8
488.34537	6.4
489.35510	6.5
711.32202	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	710.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.7
61.98836	100.0
69.28960	0.9
69.29388	0.5
82.12121	0.1
85.02972	0.2
96.96028	0.4
98.19918	0.2
113.02499	0.2
122.06140	0.4
125.02482	0.3
135.68408	0.1
152.07208	0.5
169.01436	0.2
199.24512	0.1
209.11958	0.2
225.84364	0.1
285.04068	0.2
285.12527	0.3
321.55875	0.1
430.13699	0.1
440.32831	0.2
441.32840	0.2
460.18707	0.2
473.32965	0.4
474.33173	1.2
475.33353	1.2
476.33667	0.9
477.33878	0.2
487.34390	0.7
488.34683	1.9
489.35583	0.4
511.25787	0.5
565.24713	0.2
566.24988	0.3
641.26862	0.6
642.26288	0.7
674.29419	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77234	0.6
59.01387	100.0
59.22567	0.5
60.01726	0.6
61.98838	43.7
71.01400	1.3
75.08789	0.5
78.95905	0.9
79.95764	0.6
80.84058	0.5
83.05068	0.7
85.02952	0.8
87.00928	0.6
88.98817	1.3
89.02480	1.1
96.96024	5.5
98.19882	1.4
101.02476	0.8
113.02492	1.3
116.92949	0.6
121.02983	1.1
123.04593	0.7
124.06731	0.6
125.02443	1.2
135.04536	0.6
136.01697	4.7
137.02469	1.6
147.04579	0.9
151.04025	6.0
169.01489	1.2
174.01518	0.5
179.10817	0.7
209.11862	14.7
210.12231	2.3
211.13394	1.9
227.12849	4.0
228.13348	0.7
235.08165	0.6
241.66260	0.5
253.09383	0.9
269.08350	3.3
283.09979	0.7
285.04398	0.6
299.09390	2.3
301.00037	1.2
311.09351	3.9
314.11612	4.7
322.43564	0.5
326.11569	3.4
327.12054	0.6
329.13962	20.5
330.14429	2.2
341.13934	10.7
342.14410	1.7
343.11945	10.2
344.12448	1.1
379.01498	0.6
445.20847	0.9
487.34052	2.8
488.34537	6.4
489.35510	6.5
711.32202	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	710.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13421	0.1
59.01383	1.9
60.01703	0.1
61.98837	100.0
65.87563	0.2
69.42815	1.1
71.01391	0.1
89.02470	0.2
96.96030	0.3
98.19893	0.2
98.66606	0.1
101.02518	0.2
122.06142	0.3
125.02499	0.2
135.40735	0.1
137.13269	0.1
152.07227	0.5
154.91132	0.1
169.01511	0.2
179.10756	0.2
181.07303	0.2
209.11884	0.2
213.10342	0.1
245.33925	0.2
285.12421	0.2
358.15613	0.2
439.32593	0.2
440.32727	0.2
441.32761	0.3
473.32770	0.3
474.33112	1.2
475.33347	0.8
476.33517	0.9
487.34525	0.9
488.34720	2.4
489.35541	0.2
511.25836	0.5
551.22156	0.2
566.25049	0.2
610.23743	0.3
641.26508	0.4
642.26447	0.9
674.29688	0.5
744.01324	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	710.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47392	0.1
54.53225	0.1
59.01386	1.2
60.01705	0.1
60.66773	0.1
61.98837	100.0
69.65133	0.1
70.97301	0.2
71.01408	0.1
78.88012	0.1
96.96038	0.5
102.54173	0.1
113.02525	0.1
116.92850	0.2
138.02025	0.2
152.03606	0.2
155.85110	0.1
162.95064	0.1
169.01437	0.2
209.11880	0.6
211.13426	0.7
225.11241	0.2
227.13004	0.2
300.38797	0.1
372.86511	0.1
447.22815	0.2
456.32565	0.1
485.32782	0.2
486.33218	1.0
487.33682	1.6
488.34308	1.9
489.34219	0.2
504.68344	0.2
610.24200	0.1
711.33746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3768
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62374	0.1
59.01388	2.6
60.01702	0.1
61.01826	0.2
61.98837	100.0
64.37047	0.1
71.01417	0.2
75.00867	0.3
76.42454	0.1
87.86029	0.1
96.96015	0.4
101.02436	0.2
113.02486	0.1
145.03023	0.1
154.18596	0.2
160.34128	0.2
209.11850	0.9
210.12233	0.3
211.13412	0.2
227.12953	0.4
255.37851	0.1
291.45404	0.1
300.99850	0.2
343.12024	0.2
358.30927	0.1
485.33191	0.4
486.33099	1.5
487.33862	2.9
488.34418	4.2
489.34238	0.2
711.33026	0.2
744.78326	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	710.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13421	0.1
59.01383	1.9
60.01703	0.1
61.98837	100.0
65.87563	0.2
69.42815	1.1
71.01391	0.1
89.02470	0.2
96.96030	0.3
98.19893	0.2
98.66606	0.1
101.02518	0.2
122.06142	0.3
125.02499	0.2
135.40735	0.1
137.13269	0.1
152.07227	0.5
154.91132	0.1
169.01511	0.2
179.10756	0.2
181.07303	0.2
209.11884	0.2
213.10342	0.1
245.33925	0.2
285.12421	0.2
358.15613	0.2
439.32593	0.2
440.32727	0.2
441.32761	0.3
473.32770	0.3
474.33112	1.2
475.33347	0.8
476.33517	0.9
487.34525	0.9
488.34720	2.4
489.35541	0.2
511.25836	0.5
551.22156	0.2
566.25049	0.2
610.23743	0.3
641.26508	0.4
642.26447	0.9
674.29688	0.5
744.01324	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	709.4175
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.3
60.01692	0.6
60.83088	0.5
60.99316	4.9
61.98837	26.6
71.01383	2.1
85.02974	0.7
87.00895	0.6
88.98818	23.8
89.02457	5.5
92.95210	0.4
96.96023	4.4
98.20607	0.9
101.02451	1.2
109.06579	0.9
113.02475	1.3
119.03460	0.8
125.02490	0.8
126.87434	0.5
138.02031	0.7
151.07587	0.5
152.03555	1.0
161.09695	0.7
169.01465	0.8
171.10278	1.6
193.08568	0.6
207.10362	2.7
209.11877	3.9
211.13388	4.8
225.11363	2.0
225.43800	0.5
227.12930	2.0
253.09363	0.9
300.99963	2.0
393.31631	0.6
401.23389	0.7
447.22916	0.5
457.32761	0.8
461.20432	0.6
469.33218	5.4
470.33603	0.9
486.33105	0.8
487.34363	100.0
488.34662	18.8
511.36346	0.6
529.35498	1.0
635.30621	0.8
637.31946	2.5
638.32922	0.7
641.26544	0.5
649.39551	2.5
653.32721	0.5
655.32465	1.4
655.42023	0.7
673.42163	0.7
709.31140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27253	0.5
59.01385	42.8
60.01720	0.7
61.85494	0.5
61.98837	24.3
69.75973	0.5
71.01397	2.9
72.99319	0.9
73.02949	1.5
75.00877	2.4
81.90717	0.5
83.05083	0.7
85.02984	0.6
86.86387	0.5
87.00849	0.5
88.98825	2.3
89.02464	1.2
92.19458	0.6
95.01453	0.7
96.96004	3.2
101.02450	3.5
109.06604	1.1
113.02448	1.9
119.03535	1.7
119.05112	0.6
121.02914	0.5
125.02430	0.9
138.01987	3.4
152.03603	1.3
154.47418	0.5
161.04579	1.1
163.11223	0.7
169.01483	1.6
171.10301	1.4
175.04039	0.5
199.13292	0.5
207.10320	2.7
209.11833	2.2
211.13406	6.3
225.11356	1.9
227.12915	1.0
235.08342	0.8
253.09241	1.3
264.46942	0.6
300.99902	1.6
324.79883	0.6
339.33987	0.6
391.30402	0.7
405.31897	0.8
407.33176	0.6
423.32523	0.9
425.34564	1.3
443.35229	4.0
467.57339	0.6
485.32715	1.3
486.32971	1.7
487.34344	100.0
488.34695	14.9
529.35071	0.9
629.39362	4.7
630.39600	0.9
637.32715	2.1
649.39520	3.5
655.33746	1.5
709.30530	0.9
709.42261	4.6
710.41748	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	709.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21529	0.6
57.03444	1.9
59.01386	6.7
59.54544	0.6
61.94399	0.6
61.98819	1.5
64.12156	0.6
69.03454	0.7
71.01386	4.9
72.99363	0.7
73.02961	1.4
78.95910	3.8
81.03458	0.7
83.01395	0.8
83.05012	1.4
83.18560	0.7
85.02951	2.2
87.00858	1.0
89.02470	3.2
95.05016	1.4
97.06610	6.2
101.02464	4.8
112.90390	0.7
113.02469	3.0
114.68183	0.7
125.09774	0.9
151.11307	16.0
152.11635	1.1
152.99614	4.1
161.04584	1.4
165.14598	0.7
169.12361	58.3
170.12686	2.6
195.10303	4.6
201.11354	4.0
209.11743	4.1
211.13397	1.2
213.11354	7.7
225.14940	1.9
229.12509	0.7
235.08305	1.3
253.09390	3.9
253.21809	0.8
277.21744	57.9
278.21988	4.7
279.23148	0.9
321.48709	0.6
348.01361	0.6
431.19464	3.3
449.20392	4.1
455.16754	0.8
473.17963	3.8
587.07709	0.7
691.38495	0.9
709.41638	100.0
710.41919	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	709.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19441	0.2
54.78881	0.2
59.01385	19.5
61.98532	0.4
61.98839	4.9
71.01373	0.6
75.00857	0.3
76.74226	0.2
78.95914	0.4
83.05016	0.6
86.45236	0.2
88.98792	0.3
89.02459	0.4
95.01347	0.3
95.33131	0.2
96.96017	2.8
101.02448	0.7
107.01445	0.3
113.02480	0.5
115.00346	0.2
118.20078	0.2
119.03471	0.3
123.00885	0.2
125.02431	0.9
135.04475	0.3
138.01971	1.3
145.03015	0.3
150.06824	0.3
169.01416	1.4
179.10735	0.3
215.07486	0.3
300.99948	0.9
391.30515	0.3
393.27649	0.3
407.33282	1.0
409.31287	0.9
415.32373	0.4
423.32855	0.4
425.34473	1.8
426.34695	0.4
427.32086	1.5
428.32462	0.3
441.34219	1.6
443.35342	1.2
444.35611	0.3
457.33414	0.3
469.33368	1.6
487.34387	100.0
488.34695	16.0
501.32349	0.9
501.87534	0.2
509.34634	0.3
511.36362	0.4
618.98560	0.3
621.03424	0.2
649.39728	0.7
650.56403	0.3
709.23523	0.2
709.40509	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
57.03447	1.5
59.01385	7.3
61.98826	0.6
71.01398	6.2
71.46774	0.6
72.02630	0.4
73.02953	1.7
78.95909	1.8
83.01386	1.0
83.05025	1.0
85.02947	0.8
86.97874	0.5
87.00869	0.7
89.02448	4.6
89.14277	0.4
89.70322	0.4
91.04041	0.6
91.80062	0.5
95.05051	0.7
97.06603	3.2
99.00983	0.5
101.02440	5.5
105.01485	0.6
113.02476	1.8
119.03510	1.0
133.10265	0.6
133.74138	0.5
151.11304	14.6
152.11633	0.7
152.99620	3.0
161.04556	1.8
161.29237	0.5
169.12354	100.0
170.12706	4.9
179.05638	0.6
195.10295	2.6
201.11336	2.1
209.11900	2.9
213.11351	13.3
214.11690	0.8
225.14969	0.8
235.08281	1.2
253.09258	4.4
253.21646	0.6
275.59787	0.5
277.21738	26.6
278.22052	2.8
291.78793	0.5
293.10861	0.5
431.19168	3.3
449.20367	8.0
450.20245	1.3
450.26328	0.6
473.17859	2.2
709.41644	93.8
710.42029	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	709.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45378	2.0
64.55798	1.7
71.01392	9.9
78.95930	1.9
78.98599	6.0
79.95744	11.0
80.96526	80.9
85.02975	2.5
94.98100	15.7
101.02434	2.5
122.97589	2.9
134.97612	5.6
148.99144	6.8
152.98643	5.0
164.98622	14.8
171.10309	2.4
206.99590	2.7
211.13390	2.9
225.00746	18.4
255.23320	3.0
308.42407	1.8
325.83945	1.8
362.76413	1.8
537.27972	2.3
567.71747	2.1
574.77209	1.9
589.63226	2.0
666.71747	2.1
709.38434	100.0
710.38806	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	38.5
61.98838	33.7
63.65324	0.6
69.25874	6.1
71.01384	3.8
73.02947	1.0
78.95950	0.6
85.02967	1.5
88.98845	1.6
89.02469	1.6
93.96671	0.6
95.01411	0.8
96.96015	4.9
101.02460	5.5
112.46447	0.8
113.02489	2.4
117.01797	0.6
117.03474	0.8
119.03556	2.5
119.05125	0.7
125.02518	1.5
137.02544	0.7
138.01962	4.1
145.02962	2.3
152.07147	0.8
161.04590	1.3
169.01472	1.7
178.56908	0.7
179.10818	1.1
223.17073	0.7
300.99866	1.3
307.08371	1.2
311.22534	1.2
357.15503	0.8
485.32504	3.2
486.33078	3.4
487.34521	100.0
488.34821	15.3
488.41711	0.9
497.32846	1.0
501.36600	0.7
503.33948	1.0
511.25519	5.2
511.36520	0.9
529.35449	3.9
535.25824	0.9
596.23627	0.7
641.26648	1.3
649.40070	1.1
709.40588	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	709.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	13.8
61.98830	7.8
62.35554	4.1
70.29938	7.5
70.30331	6.7
71.01391	4.9
72.51259	3.2
77.69521	3.2
79.24425	3.0
79.31780	3.2
101.02434	6.3
119.04993	3.9
121.02956	10.8
127.67604	3.3
145.02989	6.6
171.10298	6.3
173.24487	3.5
183.13890	5.9
199.09804	17.9
207.10216	8.4
211.13417	100.0
235.80426	3.6
236.53436	4.7
253.09308	6.2
253.33299	3.7
447.22366	10.1
487.34079	6.5
709.34961	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	709.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	26.0
59.82976	1.1
61.98838	15.4
66.30191	1.2
68.00828	1.1
83.05027	2.7
90.46634	1.1
94.39428	1.3
101.02479	1.5
111.08806	1.1
145.22388	1.3
156.00197	1.3
163.11317	2.4
209.11845	100.0
210.12196	4.9
227.12914	27.4
228.13290	2.1
235.08200	2.1
253.09386	6.7
389.04404	1.7
445.20926	4.5
485.32605	2.2
486.33029	4.8
487.34271	59.6
488.34744	6.1
654.09875	1.7
709.31952	18.8
710.32257	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	709.3214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.3
57.04834	1.2
59.01382	19.0
60.51618	1.2
61.98835	12.7
69.21472	8.9
69.21899	4.4
71.01400	10.5
73.02962	1.7
75.00870	2.0
78.95921	2.3
81.03453	2.2
83.01436	1.6
83.05029	1.6
85.02959	1.9
87.00887	2.6
89.02460	4.0
96.96014	3.5
97.02962	2.8
98.19879	2.8
101.02478	6.7
109.06602	13.3
110.53613	1.2
111.00849	1.2
113.02463	3.9
119.03529	1.7
121.06623	2.1
125.02494	2.0
125.06001	1.3
125.96120	1.3
128.14093	1.1
142.02730	1.6
145.05081	2.1
161.04628	3.2
161.09859	1.4
163.11337	9.2
169.01387	1.7
171.10307	2.0
176.32097	1.2
179.05659	1.6
181.12312	2.9
183.13922	24.7
185.11806	1.4
193.12294	1.7
199.09779	1.6
199.13406	1.7
207.10284	46.2
208.10622	1.6
209.11832	12.9
211.13419	100.0
212.13718	5.7
225.11337	24.3
227.12958	2.9
235.08231	5.4
243.12457	1.6
253.09250	9.0
300.99841	2.7
321.06750	1.3
339.22906	1.6
355.23148	1.3
373.23898	3.8
383.22339	3.4
391.24860	3.5
392.24734	1.4
401.23343	8.4
419.24554	5.2
443.19330	2.3
447.22397	2.5
461.20386	12.6
487.34415	11.1
536.76959	1.9
609.32813	2.1
611.30664	2.1
629.31183	2.0
637.32214	13.2
638.32635	1.5
655.33380	16.8
656.34045	5.3
673.34473	2.3
709.31543	1.8
717.24725	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	709.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00593	1.2
59.01387	25.8
59.55980	0.4
69.27419	2.2
69.27843	1.0
71.01390	5.4
72.99306	1.8
83.01374	0.6
89.02464	5.1
101.02451	3.6
117.03545	0.4
119.03520	0.8
119.05042	0.7
121.23109	0.3
122.97031	0.4
123.00887	0.3
125.02458	1.3
145.02986	0.9
145.07724	0.5
146.04964	0.5
159.05653	0.4
160.06433	7.2
161.07222	38.0
162.07538	1.3
163.03928	0.4
169.01457	1.2
175.08781	27.2
176.09138	1.4
187.08691	0.6
189.06715	68.3
190.07053	3.6
199.08911	0.4
201.10394	0.6
203.08287	27.4
204.08569	1.5
217.09807	0.7
229.09735	0.6
245.09372	0.6
295.13080	0.4
300.99969	1.3
302.03503	0.6
305.11389	1.2
307.08273	0.4
323.12506	100.0
324.12814	8.4
361.82822	0.3
691.19592	0.4
709.19763	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17427	0.3
53.04306	0.3
59.01105	0.4
59.01389	4.4
60.20523	0.3
63.17262	0.3
69.03458	0.4
70.53511	0.9
71.01385	2.9
73.02965	0.8
78.95930	0.3
83.01383	0.4
85.02946	0.9
87.00873	0.9
89.02442	2.6
94.76711	0.3
97.02953	0.4
97.25397	0.3
101.02464	2.5
113.02452	1.6
119.03515	0.6
145.05090	0.6
161.04570	1.2
167.14345	0.5
177.18492	0.3
179.05626	0.3
183.13921	6.0
193.12411	1.8
196.24632	0.3
211.13409	95.7
212.13748	5.6
235.08266	4.7
253.09311	9.4
259.20712	0.6
275.23346	0.3
277.21741	100.0
278.22086	8.1
290.76123	0.3
295.11771	0.3
323.23740	0.3
429.21338	1.0
447.22394	2.8
513.31555	0.3
690.65607	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.438
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
63.31073	0.3
69.55757	2.4
71.01395	3.3
73.02945	0.8
78.95937	0.7
83.01395	0.4
83.05053	0.3
85.02948	0.8
87.00882	0.6
87.34406	0.4
89.02467	2.3
101.02467	2.7
113.02469	1.1
119.03513	0.5
144.52483	0.4
145.05016	0.4
152.99596	1.4
155.77530	0.3
161.04507	1.7
167.14478	0.4
174.28290	0.3
179.05559	0.5
183.13931	5.7
193.12358	1.4
211.13417	96.7
212.13768	6.0
225.11356	0.8
235.08263	4.6
253.09322	10.4
277.21744	100.0
278.22101	9.2
278.28598	0.5
279.23285	0.8
429.21240	0.7
447.22696	2.3
448.22733	0.5
453.15341	0.9
513.30371	0.6
587.57568	0.4
639.41840	0.4
662.57666	0.4
707.37329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11371	0.2
58.00579	0.2
59.01387	3.4
67.74822	0.2
71.01381	2.5
73.02956	0.5
75.83321	0.2
78.95908	0.4
83.01391	0.2
83.05043	0.3
85.02962	0.8
87.00888	0.7
89.02457	2.0
91.41874	0.2
101.02451	2.5
113.02475	1.4
119.03508	0.7
124.14108	0.2
133.05135	0.3
133.67119	0.2
143.03462	0.4
145.05096	0.4
152.99603	0.9
161.04578	1.1
165.12885	0.4
165.32535	0.2
166.13135	0.3
167.10866	0.3
167.14456	0.5
179.05658	0.5
181.12346	0.3
183.13916	5.7
184.14247	0.3
193.12323	1.8
207.10217	0.3
211.13416	100.0
212.13748	6.1
225.11365	0.3
229.00095	0.2
233.22786	0.4
235.08275	3.6
253.09312	8.2
254.09663	0.4
258.33084	0.2
259.20599	0.3
275.20309	0.3
277.21744	85.5
278.22089	7.6
429.21381	0.7
430.34143	0.2
447.22366	2.6
453.15540	0.5
471.15771	0.3
502.24936	0.2
513.30719	0.3
707.37360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05371	0.2
54.54803	0.2
59.01384	25.7
61.98830	1.2
67.77308	0.2
71.01389	0.7
73.02964	0.2
77.78606	0.2
81.04028	0.2
85.02996	0.3
88.98824	0.3
89.02460	0.5
96.96021	0.4
98.19913	0.3
98.74513	0.2
101.02466	1.0
113.02479	0.6
119.03517	0.5
161.04599	0.3
209.11832	0.6
212.21768	0.2
221.06534	0.2
261.99329	0.2
267.95117	0.2
371.52307	0.2
379.29865	0.2
409.30896	0.3
437.30719	1.8
453.30151	0.2
455.31671	5.4
456.32141	0.9
465.75586	0.2
485.32751	100.0
486.33096	14.9
497.32794	0.5
499.34683	0.4
527.33508	0.3
647.37726	0.6
648.38458	0.3
707.39899	0.8
708.40881	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91039	0.2
55.67866	0.2
59.01385	41.8
60.01725	0.4
61.98839	1.5
62.32513	0.2
71.01393	1.0
71.05043	0.5
80.96535	0.3
85.03019	0.2
85.52407	0.2
88.98863	0.2
89.02487	0.7
96.96028	0.6
98.19760	0.3
98.95618	0.3
101.02448	1.6
110.89365	0.2
112.83842	0.2
113.02477	0.9
119.03516	0.7
119.04999	0.2
151.22420	0.2
161.04613	0.7
184.28516	0.2
209.11839	0.5
221.06616	0.2
232.12146	0.2
360.37677	0.2
391.30191	1.0
437.30566	0.9
438.31100	0.3
439.32123	2.1
440.32394	0.2
441.33661	0.5
455.31256	0.3
479.31775	1.5
485.32745	100.0
486.33093	14.6
499.34332	0.3
513.82556	0.2
527.34106	0.2
560.84229	0.3
609.83105	0.2
647.38367	1.3
648.38361	0.3
707.29913	0.6
707.40277	0.7
708.41315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4019
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	59.0
61.98837	47.3
71.01387	5.3
71.56174	2.2
72.99345	2.8
75.00880	2.1
78.95911	2.9
85.02950	1.4
87.00851	1.4
88.98831	2.9
89.02462	4.1
95.05013	1.3
96.96032	3.5
101.02448	3.3
102.63977	1.3
113.02433	1.9
113.35295	1.1
119.03505	1.9
125.02464	1.8
169.01488	3.4
171.10291	1.7
199.13257	1.1
207.10277	1.1
209.11871	1.1
211.13538	1.3
217.61598	1.1
300.99979	3.6
407.29633	2.3
409.31168	2.4
439.32132	1.5
441.33728	1.6
442.86615	1.2
454.61713	1.4
455.31653	3.1
467.31659	4.1
485.32800	100.0
486.33221	15.5
509.34647	1.5
645.38300	1.3
647.38257	1.3
653.31268	1.6
707.39185	2.6
730.42487	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88242	0.2
56.29960	0.2
59.01385	3.2
61.98837	100.0
62.55335	0.2
62.98558	0.2
66.14378	0.2
69.30990	1.2
69.31409	0.6
71.01399	0.7
72.99322	0.4
73.02942	0.3
75.00885	0.6
78.95924	0.2
81.03468	0.3
83.05037	0.5
85.02970	0.3
85.77216	0.2
87.00911	0.4
88.98828	0.8
89.02458	0.5
96.96012	1.1
101.02468	0.7
113.02443	0.3
119.03584	0.3
125.02462	0.4
148.11975	0.2
161.04546	0.3
165.12845	0.5
166.13222	0.3
183.13925	5.2
184.14264	2.0
209.11861	6.2
210.12167	3.0
211.13466	0.3
225.11378	0.5
227.12984	1.0
228.13358	0.4
253.09367	0.3
277.61685	0.2
285.04102	0.5
454.30746	0.7
455.31461	0.3
472.31604	0.3
483.31274	1.0
484.31665	2.7
485.32816	5.2
509.35242	0.3
515.94989	0.2
634.40912	0.3
673.34607	0.6
674.34790	7.5
675.35419	0.8
706.37988	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	6.8
61.98835	32.4
77.44723	1.6
80.05038	2.4
86.78705	1.7
94.06642	4.2
96.36035	1.6
107.03765	9.1
110.35312	1.4
116.62962	1.5
120.08204	21.5
122.06136	74.1
123.06446	1.8
125.02409	1.5
132.04576	2.6
134.06108	9.6
139.02708	1.9
152.07190	80.7
153.07532	3.0
160.04030	2.7
174.05508	2.1
179.70351	1.6
190.05040	3.1
209.11868	20.1
210.12181	6.4
223.08693	4.2
224.09581	1.9
225.10271	2.1
227.12669	1.5
237.10361	13.4
238.11102	4.1
239.11914	7.5
245.12895	3.7
251.08272	3.2
251.11943	8.4
263.08319	3.7
264.09012	10.0
265.09790	7.9
267.11310	1.6
276.09070	1.8
277.09802	4.8
278.10660	3.0
279.08466	2.6
279.11395	32.9
280.11923	4.7
281.13019	1.7
291.11304	8.5
292.12018	3.6
293.12665	1.6
295.10876	5.5
305.09235	1.9
323.10464	11.4
323.14066	2.5
324.11166	2.6
325.11731	3.7
388.16724	2.4
402.18353	9.2
403.18842	2.2
404.19547	2.0
444.19403	11.1
445.19775	4.3
448.18503	7.0
461.19092	2.2
485.32819	18.3
488.18289	16.3
489.19171	9.9
520.20911	44.0
521.20892	7.1
534.72095	2.3
567.26349	19.5
568.26251	4.5
611.25104	100.0
612.25391	18.2
643.27753	86.5
644.27838	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	705.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	20.1
61.98540	4.6
61.98840	82.7
71.01391	67.7
71.56993	3.7
73.02956	3.8
75.08160	3.5
78.95900	8.2
79.54283	3.4
80.96507	4.6
89.02450	7.0
95.04948	3.5
96.96020	17.3
97.02950	4.3
99.00916	5.5
100.22083	4.0
101.02431	6.7
108.05458	3.9
109.06596	11.1
113.02471	5.4
119.05003	4.1
125.09795	4.7
150.69293	4.1
163.11372	8.4
181.12376	8.7
183.13824	4.7
190.46434	4.2
191.19746	3.8
197.11858	37.3
199.13441	8.6
207.10297	41.0
209.11821	19.8
211.13416	100.0
211.15430	6.8
212.13707	11.2
225.11366	29.3
227.12910	12.3
243.12434	4.6
253.09320	11.5
269.26157	3.6
272.87051	4.2
273.17087	8.9
274.17377	9.6
419.24814	4.5
423.23569	4.2
433.21017	4.5
437.30441	5.2
455.25598	3.9
461.20209	7.5
483.31946	31.8
605.01752	3.9
623.28900	5.2
637.32410	4.8
655.33734	6.7
656.33508	4.5
673.34448	12.9
705.37518	24.1
706.37567	5.7
738.14209	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	705.3706
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.1
59.03593	0.7
61.98835	8.4
62.84084	0.7
69.46032	0.9
70.39765	1.6
70.40171	2.6
71.01379	2.4
73.02942	0.9
74.66556	0.8
76.51344	0.8
77.54201	0.9
79.99168	1.0
80.02707	1.3
81.03467	1.5
83.05019	4.7
83.64175	0.8
84.02154	1.1
87.00867	1.1
88.98825	1.5
89.02456	1.9
96.95987	4.0
99.00900	1.0
101.02455	2.1
113.02464	1.4
119.03537	0.9
119.05027	0.9
121.02940	0.8
125.02454	1.3
161.04552	1.4
163.11301	3.6
165.12840	2.4
169.01460	1.8
171.10370	0.9
181.28554	0.8
209.11852	100.0
210.12181	5.9
225.11314	0.9
227.12920	15.6
228.13249	0.8
235.08266	2.2
253.09335	6.6
259.15494	2.9
300.99698	1.0
303.04651	0.9
326.49527	0.9
351.80759	0.9
439.32492	0.8
445.20694	1.7
483.31281	8.1
637.33057	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.8
58.53547	0.4
59.01389	5.9
59.86667	0.4
61.98836	100.0
66.42740	0.4
71.01389	3.4
71.56384	0.7
72.99319	0.6
73.02950	0.9
80.96547	1.0
81.03484	0.9
83.01415	0.5
83.05018	3.1
84.02166	0.8
85.02967	1.0
88.98843	0.5
89.02446	2.0
95.05029	0.4
96.96043	2.0
99.00896	0.5
101.02448	2.8
111.08201	0.6
113.02472	1.5
118.85875	0.4
119.03524	0.8
122.06081	0.4
125.02493	0.9
143.03458	0.6
161.04640	0.8
163.11288	2.1
165.12854	4.8
169.01512	0.8
169.10336	0.5
179.05620	0.6
183.13918	34.1
184.14288	1.9
185.09814	0.5
191.10869	1.0
197.11861	0.6
198.12189	0.4
209.11844	35.4
210.12221	2.4
211.13428	1.3
225.11380	0.8
227.12891	5.6
235.08324	1.5
253.09370	3.2
300.99933	0.9
347.15192	0.6
421.31421	0.5
423.29324	0.5
439.32620	1.0
445.20969	1.1
453.29901	2.6
463.22052	1.2
469.33188	0.6
471.35696	0.5
483.31265	12.4
484.31552	2.1
542.70190	0.4
633.40704	1.4
673.34412	40.4
674.34686	8.2
705.37598	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	705.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68070	3.6
59.01374	9.3
61.98536	6.4
61.98837	100.0
70.69730	4.1
70.70069	7.0
71.01405	17.1
80.96506	7.6
83.05073	3.1
85.02956	3.2
89.02456	5.5
94.98103	3.9
96.96004	10.9
99.20479	3.5
101.02427	4.2
121.02029	3.2
141.59918	3.2
144.06306	4.1
163.11325	4.3
199.13368	4.4
207.10242	13.1
209.11874	47.9
210.12231	3.5
211.13408	20.9
221.91119	3.8
223.13390	65.9
225.11342	7.8
226.93150	3.5
227.12823	20.6
235.08144	5.4
253.09276	9.7
300.99713	4.0
304.23618	3.7
402.36234	3.4
441.21518	3.8
459.22226	19.1
483.31027	9.8
500.06128	4.6
541.52545	3.6
651.33875	6.1
673.33954	7.9
705.32080	37.8
706.32196	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	704.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58106	0.2
52.89505	0.2
61.98837	100.0
62.98549	0.3
70.46999	0.2
70.47322	0.5
78.95925	0.2
83.05123	0.2
94.04824	0.2
107.02589	0.2
211.13362	1.7
212.13715	1.1
213.14082	0.6
238.94406	0.2
251.84741	0.2
450.23093	0.2
582.95471	0.2
673.56622	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.80855	0.1
61.98838	100.0
62.98533	0.3
66.21481	0.1
69.74476	0.8
82.35872	0.1
92.96127	0.1
96.96054	0.2
98.19930	0.1
101.54644	0.1
124.05818	0.1
133.28088	0.1
184.19315	0.2
187.19186	0.1
211.13451	0.2
217.71664	0.1
326.66986	0.1
368.41864	0.1
411.37344	0.1
475.03403	0.1
610.60413	0.2
683.86023	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40041	0.2
58.83107	0.2
61.53571	0.2
61.98837	100.0
69.32635	1.6
78.95923	0.6
89.81925	0.2
95.57455	0.2
96.96030	0.2
98.54631	0.2
138.82877	0.2
152.99567	0.2
175.10887	0.2
197.52205	0.2
201.78955	0.2
211.13432	0.5
377.33585	0.2
427.01596	0.2
531.91919	0.2
704.42542	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06404	0.6
50.09215	0.6
50.78094	0.6
59.01392	3.3
61.98836	42.5
70.06493	1.0
70.06891	1.9
71.01395	1.6
71.34191	0.6
78.95910	6.3
79.95754	2.6
80.05071	2.0
88.98816	1.8
90.14343	0.6
96.90669	0.6
96.96020	100.0
96.96918	6.9
98.95624	0.8
99.00917	0.8
107.03806	0.7
114.32972	0.7
120.04545	0.8
122.06130	6.6
125.02493	1.1
134.06129	2.6
140.44499	0.7
152.07187	10.6
160.04042	0.7
160.06448	1.3
166.99680	0.5
171.10277	0.6
183.13942	2.0
197.11746	0.6
207.10307	1.2
209.11815	5.5
210.12112	1.2
211.13321	1.3
213.10381	6.4
225.10783	0.6
239.11949	3.8
241.13495	3.4
241.16376	0.6
245.13042	1.7
251.11844	0.8
285.12436	13.1
293.13040	2.8
295.10861	1.3
313.12024	1.1
323.10455	2.1
343.13416	0.8
347.15112	1.8
355.13040	0.9
357.14728	0.8
358.15549	3.8
384.13647	1.3
400.16388	3.1
412.16663	1.4
444.30438	0.7
483.31219	2.5
491.23956	0.7
506.31903	0.9
519.43457	0.8
523.23425	1.3
565.24567	13.6
566.25177	2.9
609.23584	23.3
610.23944	4.2
641.26068	12.4
642.26758	1.5
673.34076	3.5
704.36188	0.9
705.38831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	17.1
66.02573	16.4
69.59778	100.0
72.48344	13.5
78.95905	25.8
79.36484	12.9
79.99951	12.1
84.02563	15.3
111.78193	14.0
152.99573	19.0
179.33904	13.8
190.16881	16.3
207.10513	14.2
222.67682	14.7
241.14507	18.5
255.23331	31.4
277.21725	55.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28851	8.3
53.26428	9.5
55.89334	7.8
57.39625	8.2
59.01390	18.3
61.98830	14.0
65.89981	7.4
70.06693	21.2
70.07085	26.8
70.31249	8.3
78.95908	11.1
86.28796	8.7
98.19950	8.2
109.06592	25.4
138.80070	8.4
162.79042	8.1
163.11325	16.1
171.10339	19.1
172.21399	8.0
177.75273	9.1
207.10213	34.2
253.09424	11.7
255.23309	11.6
277.21744	100.0
278.22122	14.6
332.85925	9.8
433.65985	9.3
483.90689	8.9
488.61221	9.5
530.23505	10.0
709.93597	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	703.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94092	1.0
59.01387	12.6
61.98837	15.9
64.63270	1.2
71.01396	7.3
71.56870	1.6
72.99294	2.0
73.02944	1.4
78.95927	2.6
79.95723	2.1
80.02682	1.4
81.03468	4.7
83.05035	9.1
84.02148	1.4
85.02953	3.3
87.00891	2.0
88.98808	1.3
89.02457	6.7
95.05046	1.6
96.96022	41.8
96.96958	2.6
97.02978	5.7
99.00864	1.5
101.02435	5.4
107.01418	1.2
107.05032	1.6
109.06599	22.9
113.02460	3.3
115.04115	1.3
119.03522	1.7
121.06590	1.9
123.00858	1.4
125.02467	4.3
125.09734	1.7
135.08174	3.0
136.05292	1.7
142.02753	2.6
145.02960	1.2
161.04488	2.0
161.09792	2.1
163.11305	19.5
164.11604	1.0
165.12819	2.3
169.01431	4.2
171.10291	2.0
179.05637	1.4
181.12361	3.9
185.11775	1.5
197.11946	1.4
201.11241	1.8
207.10281	60.5
208.10597	3.5
209.11853	100.0
210.12152	4.6
211.13364	5.5
211.99380	1.3
225.09253	1.6
225.11342	25.2
227.12889	14.5
235.08159	2.7
237.14909	1.6
243.12282	1.4
253.09305	9.3
259.15515	1.4
263.12851	1.2
265.14456	2.1
273.17151	2.7
285.03864	1.4
299.14917	1.5
300.99692	2.0
314.36884	1.2
343.11920	1.1
399.21597	4.1
405.17136	1.3
417.22775	4.1
418.22968	1.7
443.19373	2.5
461.20135	8.0
481.29263	1.6
493.11905	1.3
503.33890	1.5
505.35278	8.4
622.46265	1.2
635.30975	13.2
636.30750	2.8
653.31659	13.3
654.32098	3.1
671.32935	24.5
672.33905	5.7
703.36102	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	703.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37238	0.8
53.33067	0.6
57.50701	0.7
58.55877	0.6
59.01376	1.8
61.98836	1.3
61.99133	0.6
64.89590	0.6
65.00331	0.8
65.29659	0.6
66.91513	0.6
66.92574	0.5
67.01884	2.6
69.03445	0.7
71.01378	2.2
72.99310	1.0
76.66971	0.6
79.01905	1.6
81.03481	1.0
81.91563	0.6
83.01407	1.6
85.02986	0.7
87.00867	0.7
89.02442	2.0
95.01398	6.9
96.96018	3.8
97.02951	1.1
99.04528	0.7
100.35581	0.6
107.01408	10.2
109.02950	2.4
109.06567	1.5
110.00104	1.2
111.00905	5.3
118.11660	0.6
119.05095	0.6
121.02959	2.4
123.00904	18.8
123.04510	1.1
123.08154	2.6
123.54202	0.6
124.01700	6.7
125.02458	23.4
127.00367	2.2
133.43845	0.6
135.04550	1.7
135.08156	1.0
136.98843	4.7
137.02446	4.1
138.03223	1.4
138.06873	0.8
139.00385	9.4
139.04024	10.0
140.01195	8.5
141.01927	1.0
145.03041	0.9
145.05074	2.0
150.03241	1.1
150.06898	6.6
151.00366	2.0
151.04037	1.5
152.01189	2.1
153.01965	3.5
153.05608	2.6
153.09206	3.6
154.02638	0.8
154.09550	1.2
154.99895	0.7
157.81798	0.7
161.02469	1.1
161.06189	0.7
163.07666	1.8
164.08437	0.9
165.01927	1.8
165.05574	1.2
166.02751	1.3
166.99875	5.3
167.03546	3.6
168.00659	16.6
169.01450	32.0
170.01825	1.3
175.04002	0.8
177.05571	0.7
179.10835	2.5
181.01440	4.9
181.05098	1.1
182.02289	3.4
183.01370	1.4
183.02994	27.1
184.03235	1.0
184.31329	0.7
187.09755	3.2
188.10138	2.0
189.05598	0.8
191.03407	0.9
193.05005	0.7
195.06665	1.2
197.04555	5.1
207.06587	0.8
217.10838	8.6
218.11165	4.3
221.08206	0.7
231.12277	1.0
285.03894	0.8
300.99875	1.8
322.21103	0.6
324.07925	1.0
333.08160	0.8
343.11728	1.0
364.94070	0.6
415.02359	0.6
485.16525	0.9
493.47491	0.7
503.33667	2.3
505.35303	0.7
511.12561	2.2
511.32706	1.1
525.14136	1.5
526.14691	10.8
527.15112	1.5
540.16345	0.8
541.17188	100.0
541.34052	2.6
542.09210	0.8
542.17535	12.7
560.14722	0.7
702.38153	7.7
703.22443	68.5
703.38739	22.5
704.22614	13.4
704.35638	0.8
704.40356	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.189
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	5.6
67.01884	4.4
69.03498	1.7
71.01379	6.1
72.99326	1.8
78.95899	1.5
79.01878	3.9
81.03425	1.5
85.02937	1.6
89.02444	1.7
95.01402	6.7
96.96011	4.5
97.02957	3.1
101.02435	3.2
107.01411	13.4
109.02943	1.9
111.00858	3.8
113.02463	3.3
119.04964	1.3
121.02953	4.2
122.03717	1.9
123.00005	2.2
123.00902	37.4
123.04523	2.5
124.01691	2.2
124.29418	1.3
125.02463	65.5
126.02755	2.2
133.02927	4.0
134.03767	13.2
135.04608	2.6
136.98866	2.3
137.02440	4.2
139.00392	9.6
139.03995	3.0
140.01118	5.3
141.01923	4.1
145.02914	2.1
147.04475	4.6
148.05258	2.0
149.02469	6.9
149.06036	4.4
150.03227	20.7
151.00406	15.4
151.03918	3.1
153.01979	1.6
160.01651	6.3
161.02397	3.9
165.01979	2.3
165.04347	2.0
165.05602	23.8
166.99829	3.6
168.00679	10.9
169.01442	73.5
170.01743	1.6
175.03999	9.2
176.04826	10.3
177.01898	3.1
178.02690	5.8
179.03564	2.1
181.01443	2.1
182.02260	1.6
183.02974	6.0
184.26863	1.2
191.07155	10.8
193.01302	1.6
193.05046	14.9
195.06631	5.4
211.02463	8.4
220.03699	2.5
221.04572	1.6
235.06113	10.6
245.00597	1.3
253.03593	1.8
271.65219	1.4
295.07980	2.8
299.98999	2.1
300.99915	8.7
313.05563	2.7
323.07724	2.8
341.10168	1.9
389.12332	3.7
431.13260	1.8
453.04028	1.6
454.04559	2.1
505.09909	2.5
506.10654	27.8
507.11432	16.2
541.13354	5.1
561.12360	4.5
579.13452	1.8
655.16644	7.3
685.17755	10.7
686.18304	2.4
703.18750	100.0
704.19104	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	701.376
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.6
59.01384	2.0
61.98831	0.5
66.19030	0.5
67.64365	0.5
69.49820	0.5
69.53962	3.4
71.01398	1.3
71.05016	0.6
73.02963	1.0
81.03466	0.5
83.05038	0.7
87.00912	0.7
89.02460	0.9
95.05042	1.4
96.96022	3.1
97.06599	10.5
98.95635	0.6
99.04543	2.8
107.01414	0.5
109.06593	2.4
111.04550	0.7
111.08170	4.1
113.09805	0.6
117.03447	0.7
119.04999	0.6
123.00920	0.6
123.08179	31.7
124.08514	1.3
125.02460	4.4
127.11307	0.7
133.02972	5.6
134.03738	0.5
135.04541	4.4
135.08153	2.3
137.02412	1.0
137.09779	1.3
138.06917	1.0
139.11293	0.5
141.09242	13.4
145.02985	1.9
147.04480	0.5
149.02518	0.6
149.06102	1.1
149.09737	5.5
150.03252	1.4
150.06879	10.9
151.00412	1.5
151.07735	1.0
153.09224	5.9
161.02486	11.0
162.02771	0.8
163.07671	5.7
164.08414	2.0
165.05565	1.2
166.02724	3.4
167.03481	1.1
167.10800	4.5
169.01428	7.5
170.01704	0.6
175.03978	0.6
177.05531	1.0
177.09161	0.7
178.10057	0.6
179.03462	3.0
179.10788	5.0
181.05043	2.1
184.17130	0.5
187.09778	100.0
188.10141	3.9
217.10812	14.2
218.11073	0.9
231.12399	24.7
232.12697	1.7
300.99902	1.6
306.18399	1.5
307.18933	0.9
320.19971	1.3
323.07816	6.1
333.08417	0.5
336.19479	1.9
350.20996	8.8
351.21747	10.4
352.22037	0.6
359.15405	0.5
473.32178	0.5
503.33990	9.2
504.33829	1.4
513.27185	4.0
519.15063	10.2
519.22174	0.9
520.15601	1.2
520.30548	0.7
521.31134	1.5
683.36829	2.1
701.37610	69.0
702.21387	0.7
702.24164	0.9
702.37817	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	701.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.2
59.01386	6.3
61.98835	0.5
68.03589	0.1
69.03460	0.4
69.45042	1.3
71.01382	1.1
71.13141	0.2
73.02966	0.3
78.95945	0.2
82.18739	0.2
83.05019	0.3
85.02942	0.4
87.00893	0.4
89.02466	1.0
93.03445	0.2
100.55160	0.2
101.02454	1.5
113.02458	0.8
119.03539	0.2
145.02882	0.3
145.05038	0.2
155.10873	0.2
161.04568	0.8
165.12755	0.2
167.10852	0.3
167.14406	0.7
171.10335	0.3
179.05598	0.2
183.13921	6.0
184.14307	0.3
193.12355	1.7
199.43710	0.2
207.10289	0.5
211.13409	100.0
212.13760	5.3
235.08253	1.3
238.60626	0.2
239.12935	0.2
253.09300	3.5
254.09576	0.2
271.15445	0.8
301.00122	0.2
335.95245	0.2
348.57526	0.2
357.76709	0.2
369.47974	0.2
387.25424	0.2
405.26703	0.3
429.21191	1.1
447.22357	7.2
448.22720	0.6
455.72446	0.2
470.46213	0.2
585.54272	0.2
623.34137	1.2
641.35443	0.6
723.30719	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26601	0.9
57.03435	2.1
59.01364	3.5
61.63768	0.8
64.20929	0.8
64.27368	0.8
68.69775	0.8
71.01383	2.0
71.05016	1.0
71.20820	1.8
73.02943	1.4
73.25129	0.8
75.00878	0.9
81.03452	1.3
82.95442	0.9
85.02927	1.3
87.00883	1.7
89.02470	1.4
95.05001	1.1
96.86737	0.9
96.96021	4.5
97.06588	7.2
99.04536	4.3
107.01376	1.3
107.42281	0.9
109.02898	1.1
109.06606	6.9
111.04470	1.2
111.08154	2.3
119.05012	1.1
119.06968	0.8
123.00920	1.7
123.08179	23.5
125.02467	7.4
135.08185	6.1
137.06013	0.8
137.09613	0.8
138.06844	2.9
141.09235	9.7
145.02939	2.7
145.05081	8.0
149.09718	2.3
150.06879	17.7
151.00369	1.1
151.04080	0.8
151.07544	1.0
153.09230	11.8
159.87166	0.8
161.02434	0.8
163.03992	1.6
163.07677	5.3
164.08423	3.6
167.10803	1.7
168.00546	0.8
169.01459	10.1
173.08197	1.1
178.09999	1.1
179.10812	8.9
187.09781	57.5
188.10117	1.8
197.02269	2.0
205.70328	0.9
211.13385	1.7
217.10828	37.0
218.11172	2.0
221.00768	0.9
231.12396	12.0
285.03937	1.5
300.99933	3.9
307.18958	1.0
320.19913	1.7
321.20688	2.1
333.08136	2.4
336.19489	2.3
350.21045	1.6
351.21808	8.4
393.26761	1.6
395.16724	0.9
397.13632	1.0
501.32297	0.9
503.33807	31.2
504.34027	4.3
516.92969	0.9
521.31299	2.8
539.32153	2.1
683.36609	3.0
701.37585	100.0
702.37994	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	701.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.0
59.01395	0.8
67.31152	0.6
71.01366	0.8
89.02460	0.7
96.95996	2.3
97.06571	1.6
97.22243	0.7
99.04533	0.7
123.08178	6.2
125.02440	2.2
139.13463	0.8
141.04486	0.7
141.09215	2.7
145.02957	1.2
145.05077	1.0
148.19310	0.7
150.06879	5.4
153.09195	0.8
161.02388	1.0
169.01404	3.0
173.08289	0.7
179.10750	2.6
187.09772	17.5
197.02290	5.4
209.14153	0.7
211.50726	0.6
217.10782	2.7
231.12405	4.7
285.58444	0.8
300.99780	1.1
351.21719	3.6
409.31067	5.0
421.31311	2.4
441.33740	2.0
453.30273	3.2
457.33142	1.8
473.32813	0.8
485.32495	1.7
503.33835	100.0
504.34207	14.1
701.37317	34.4
702.37805	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	701.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70995	0.4
54.99175	0.4
59.01394	1.0
61.98827	0.7
69.32657	1.2
69.33067	2.9
71.05039	0.5
73.88570	0.7
74.70126	0.4
77.08496	0.5
88.98810	0.8
96.96015	1.6
119.05000	0.6
121.02955	0.5
123.04560	0.8
125.02445	1.9
137.02461	0.5
145.02985	0.7
150.03206	0.5
150.06892	4.2
151.00349	0.6
163.07639	0.9
164.08456	1.1
167.03514	2.5
169.01437	1.8
177.05571	0.5
179.10773	2.3
186.04358	0.4
193.93115	0.5
197.02254	7.4
203.09244	1.4
248.87035	0.5
299.99219	1.1
300.99939	1.5
329.19727	0.6
439.32651	0.5
443.31448	0.6
459.34689	0.9
485.32721	8.4
486.33118	1.3
497.24786	0.5
498.41730	0.5
503.33826	100.0
504.34210	14.9
509.31125	1.3
510.51498	0.6
539.32056	1.6
701.37134	40.0
702.37445	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	701.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
59.99282	1.7
61.98835	4.0
71.57402	2.3
78.95903	2.6
83.72962	2.0
96.96018	2.1
116.48087	2.0
161.02533	2.3
170.01125	2.2
176.19206	2.0
187.03905	2.2
304.12894	2.1
438.13358	2.6
481.15192	33.8
482.15512	9.1
495.16837	12.3
497.18405	5.4
498.19598	2.5
514.15173	3.0
530.80444	2.1
539.15741	2.5
540.16534	8.2
554.18024	3.1
555.18951	55.5
556.19220	13.2
572.15497	21.3
573.16388	2.0
586.17395	7.1
609.19757	3.2
627.20447	3.0
641.22516	29.9
642.23016	7.4
701.24780	67.1
702.25195	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	701.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17632	0.8
59.01383	5.1
62.10238	0.7
64.42134	0.8
67.01887	1.3
69.03452	1.5
69.23056	7.4
71.01388	5.5
73.02962	1.4
75.31172	0.7
78.95911	1.8
79.01890	0.9
83.01431	1.3
85.02966	1.4
89.02460	2.5
95.01389	1.9
96.96021	8.2
96.96980	2.1
97.02967	1.9
101.02446	3.3
107.01397	12.0
109.02975	1.1
113.02441	2.4
117.03495	1.3
119.04996	1.6
121.02924	1.8
123.00890	14.2
123.04520	1.7
125.02459	55.3
126.02782	2.5
129.41214	0.8
133.02965	3.9
134.21121	0.7
135.04536	2.2
135.11806	3.2
136.98975	1.4
137.02473	2.4
139.00391	5.0
140.01123	0.8
140.51628	0.8
141.01971	1.6
145.02956	1.3
149.02420	1.5
151.00371	10.0
152.01144	1.5
153.01933	0.9
159.11914	1.9
161.02466	7.0
161.09737	8.2
163.00385	1.5
165.02000	0.9
165.05576	2.1
167.03531	2.4
168.00655	2.9
169.01439	100.0
170.00482	0.8
170.01726	5.0
171.01807	0.9
175.03990	1.6
177.05672	0.8
177.12865	1.7
179.03609	0.8
179.10786	8.6
180.11145	0.8
181.07147	2.0
183.02972	0.9
191.03508	1.2
193.01425	1.4
193.12335	1.3
203.10809	1.1
205.08708	1.8
211.02493	5.3
221.11816	1.6
223.09778	2.7
225.11124	0.8
229.05052	1.1
265.10791	2.7
268.03787	1.9
269.04568	13.4
269.08661	1.8
275.01962	1.8
285.04050	16.2
286.04370	5.2
287.04559	1.7
300.99915	9.5
302.00269	2.8
313.05759	2.0
323.07693	1.6
385.15182	1.7
387.16599	4.8
447.09619	1.5
453.04193	1.0
453.54037	1.2
482.92133	0.9
493.17050	2.3
495.18045	1.2
503.33652	8.3
509.21719	2.5
515.44818	0.9
519.15094	11.4
521.21722	2.6
537.16022	8.5
538.16663	2.2
539.17029	9.7
701.23163	59.3
701.36920	5.0
702.23395	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	701.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53758	0.7
56.25810	0.6
59.01379	3.2
67.01878	0.9
69.03468	1.7
71.01387	4.6
71.57253	1.1
72.99306	1.2
73.02947	1.2
78.95906	1.2
79.01909	2.3
83.01405	1.1
85.02950	1.3
87.00916	1.0
89.02459	1.6
93.03455	1.0
95.01406	3.2
96.96015	4.1
97.02953	2.3
101.00367	0.8
101.02463	3.4
107.01406	11.6
111.00863	1.1
111.47749	0.7
113.02457	1.9
117.03462	1.4
118.25935	0.6
121.02956	1.3
123.00902	17.2
123.04502	0.8
125.02459	56.2
126.02769	2.2
133.02943	2.9
135.04553	3.0
135.11783	2.3
137.02440	1.2
139.00406	4.8
140.01158	1.3
141.01961	1.2
145.03030	0.8
149.02406	1.5
150.03226	1.4
150.06831	1.2
151.00398	9.4
151.04048	0.7
152.00856	0.7
153.01860	1.4
159.08052	0.9
159.11804	0.9
161.02457	8.7
161.09749	5.8
162.03075	0.7
163.04033	1.2
163.06149	1.2
165.01953	1.5
165.05595	1.4
167.03499	1.8
168.00645	2.6
168.03674	0.8
169.01437	100.0
170.01759	4.7
171.02003	0.8
177.05579	0.8
177.12872	1.4
179.03496	1.2
179.10805	8.3
181.07175	3.1
193.01579	0.9
203.10765	2.4
205.08682	1.4
211.02451	6.3
221.11821	1.6
223.09723	2.1
235.08073	0.7
253.03589	0.8
265.10794	2.6
268.03888	1.0
269.04578	14.6
270.04807	1.0
280.25485	0.7
285.04013	3.4
286.04367	1.1
300.99786	2.2
313.05774	1.5
315.07159	0.7
323.07773	2.8
337.09161	1.0
385.14993	1.4
387.16550	3.2
431.10107	1.2
493.17145	1.4
503.33481	5.2
519.15100	11.9
520.15344	1.9
537.16028	7.2
539.17450	4.4
565.60101	0.8
698.97980	0.9
701.23169	65.9
701.36688	4.6
702.23602	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	701.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
66.91534	0.9
69.80422	1.7
69.80819	3.4
71.26325	1.0
79.95761	4.9
96.96023	100.0
119.04963	1.3
125.02457	19.0
137.02435	2.7
145.02983	2.4
149.02440	1.5
151.00357	1.1
155.13416	1.2
157.02934	1.1
163.03999	1.5
169.01448	28.2
170.01825	1.9
173.02469	1.3
185.02353	1.5
201.01895	1.4
219.67264	1.0
229.01463	2.1
249.08272	1.1
257.01056	1.9
260.11127	1.0
283.99744	2.0
299.98965	3.0
300.99911	82.5
302.00281	6.8
306.67416	1.4
399.13016	1.1
433.07678	1.8
603.09723	4.0
701.13397	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56012	1.8
58.00585	2.3
59.01112	3.1
59.01389	41.0
65.27816	1.5
70.74699	3.3
71.01397	35.5
73.02945	5.8
78.95913	8.8
82.90203	1.8
85.02948	7.4
87.00892	14.3
89.02458	50.0
95.01395	2.5
96.96996	2.7
101.02459	37.9
108.90199	6.2
110.89912	4.3
113.02460	22.4
113.74406	1.8
119.03535	11.2
125.02461	3.7
131.03522	4.0
143.03487	8.3
149.04546	2.7
161.04599	8.9
161.35478	1.9
161.37575	1.6
179.05629	34.3
201.11703	2.0
203.05661	4.4
221.06612	11.3
225.80475	2.0
281.09055	3.0
323.09863	2.3
335.23334	1.8
341.10916	25.6
358.71875	2.4
383.11969	53.1
384.12354	4.9
413.12778	3.3
443.14056	17.1
480.28268	1.8
485.15091	12.0
503.16089	4.1
539.14050	6.3
638.36432	2.0
646.69067	2.0
665.21497	100.0
666.21997	14.3
701.19165	35.9
702.19562	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	699.214
Annotation	Welloside
Peak:m/z	Relative Intensity
51.21510	1.0
58.71074	0.9
59.01391	7.0
67.01888	1.8
71.01389	7.6
71.56570	2.0
73.02949	1.4
78.95902	1.0
79.01917	1.9
81.03459	1.4
83.01414	1.5
83.05033	1.3
85.02955	3.8
87.04528	1.6
89.02457	3.3
93.03455	1.7
95.01394	3.4
96.96024	3.7
96.96997	0.9
97.02956	2.0
101.02467	2.4
107.01396	12.5
109.02949	1.3
111.00909	1.6
113.02480	3.0
121.02963	1.3
123.00901	23.7
123.04481	0.9
125.02454	61.9
133.02968	2.9
135.11789	1.2
137.02431	2.7
139.00400	4.9
141.02023	1.9
142.70322	0.8
145.02937	2.1
149.02368	1.4
151.00380	14.6
153.01929	1.4
159.11761	1.3
161.02446	2.9
161.09724	9.4
163.03981	1.2
165.01932	2.1
166.99838	1.2
167.03500	2.1
168.00713	5.4
169.01439	88.1
170.01801	3.6
175.04005	2.6
177.12828	1.6
179.03630	1.0
179.10762	8.2
193.01447	2.2
203.10832	2.8
205.08694	1.9
211.02467	10.2
221.11865	2.9
223.09775	3.5
245.00894	1.1
253.03543	1.6
265.10788	1.8
271.04642	1.7
276.83014	1.0
285.04083	34.6
286.04340	3.7
300.99908	11.0
302.00150	1.4
313.05743	5.0
325.12811	3.0
331.06668	3.5
357.10040	1.6
385.15012	11.0
447.09274	2.0
493.17297	11.5
519.15100	21.7
520.15155	3.6
537.16150	100.0
538.16394	11.9
579.17169	2.2
699.21552	22.2
700.21594	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	699.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.28830	0.5
57.03451	0.5
59.01376	1.5
61.98829	1.3
69.23682	4.6
71.01381	1.6
73.02947	2.0
78.95906	0.6
91.61124	0.4
92.77878	0.5
93.26384	0.4
95.01485	0.5
95.52122	0.4
96.96019	3.4
103.57866	0.4
107.01393	0.9
117.03494	1.2
119.05030	2.1
121.02964	2.5
121.66386	0.4
123.00850	0.7
123.04647	0.5
125.02435	1.9
134.48158	0.4
137.06084	0.5
145.02989	4.3
146.03296	1.0
150.03238	0.7
160.01746	0.6
161.02365	1.0
163.03999	1.0
165.05566	1.6
169.01447	3.1
175.02513	0.4
175.04001	1.2
181.04895	0.5
186.38400	0.4
195.06604	1.1
197.02248	1.9
209.04465	0.7
219.99141	0.5
247.02501	1.4
285.04001	1.6
300.99875	2.7
302.00162	0.6
307.08044	0.6
337.09470	1.1
407.29544	1.3
423.29080	1.2
425.30939	1.0
437.30585	1.0
455.31680	30.4
456.32068	3.9
457.33511	1.2
499.31036	0.7
501.32272	100.0
502.32620	16.9
563.07996	0.5
680.41058	0.5
699.25507	2.1
699.35571	5.5
700.35919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65733	1.3
57.03435	2.9
59.01386	23.9
61.98842	8.8
65.25159	1.1
68.99825	1.9
71.01392	27.2
71.56711	2.0
72.99277	1.7
78.95918	1.5
83.01391	6.4
85.02956	4.8
87.00850	1.6
96.96033	2.8
99.00892	18.5
104.72029	1.0
111.00896	10.0
112.98829	47.0
115.00422	2.0
121.02956	2.7
124.98796	4.9
125.17548	1.0
126.68697	1.2
129.01932	3.6
142.99881	65.6
145.01457	1.8
171.10281	2.7
173.00940	100.0
174.01256	3.2
204.01978	1.5
211.13432	3.3
221.27592	1.2
222.67169	1.3
301.00003	2.4
341.71899	1.3
475.34195	4.0
487.34366	7.3
488.34930	1.9
499.30179	1.9
697.25458	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	696.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26878	0.5
55.53055	0.4
58.30389	0.4
61.98836	100.0
69.31351	3.1
78.56168	0.4
78.95900	0.5
96.96033	0.5
101.49992	0.5
105.26141	0.4
172.19568	0.5
180.79469	0.4
201.52278	0.4
243.89275	0.4
624.18762	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.397
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.8
61.24828	0.2
61.98837	100.0
63.99267	0.2
67.18382	0.2
71.01400	0.3
73.01118	0.2
78.95936	0.2
81.13703	0.2
83.53856	0.2
85.03003	0.3
96.96010	1.6
125.02462	0.4
169.01447	0.5
211.13437	0.3
212.13966	0.3
226.55353	0.2
234.91055	0.2
262.43408	0.2
301.00223	0.3
318.48141	0.2
343.75964	0.2
472.35403	0.3
473.35757	0.3
474.36227	0.4
489.34879	0.3
499.31165	0.4
634.16870	0.2
696.21045	0.2
696.34454	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79956	0.5
59.01386	19.3
61.98838	16.7
64.32779	0.6
65.23219	0.6
67.34735	0.7
68.99598	1.4
71.01405	2.1
71.55838	0.6
71.56351	1.1
72.99335	0.8
75.00884	5.6
78.95927	1.1
82.95432	0.8
88.98816	0.9
93.03540	0.6
94.84213	0.6
96.53953	0.6
96.95998	3.8
96.96966	0.8
101.02461	1.7
112.98578	2.1
116.92853	1.3
125.02484	1.2
143.00284	0.6
161.04648	0.7
162.45937	0.7
165.05641	1.2
169.01486	1.6
175.04039	0.6
209.11876	0.8
211.13446	0.7
300.99957	1.0
413.34460	2.6
473.36511	100.0
474.36789	14.8
495.36917	0.8
523.69110	0.7
635.41541	0.8
636.41498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.3755
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	100.0
71.57365	0.2
84.64133	0.2
133.07260	0.2
144.62347	0.2
145.03036	0.3
162.01161	0.2
179.49417	0.2
245.41769	0.2
678.41187	0.2
697.36871	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01726	1.0
63.53979	0.3
63.71194	0.3
78.78870	0.4
78.95913	12.1
80.70305	0.4
97.13541	0.4
102.29266	0.4
152.99615	0.7
157.92371	0.4
205.16069	1.1
277.21741	0.4
279.23367	0.8
308.75714	0.4
315.37195	0.4
345.84744	0.4
378.18021	0.5
432.44815	0.4
623.62646	0.4
627.76862	0.4
653.30042	0.6
695.31213	46.4
696.31555	9.6
696.43506	0.6
715.32581	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.4021
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	29.4
60.99314	0.7
61.95523	0.2
61.98839	3.3
69.82357	0.7
69.82762	0.4
71.01393	1.0
72.40971	0.2
72.99294	0.2
73.02940	0.4
78.91930	0.2
83.42413	0.2
85.02964	0.3
87.00869	0.2
88.98817	3.1
89.02448	0.8
96.96018	0.9
101.02473	1.3
108.02219	0.2
113.02429	0.5
119.03531	0.4
122.80952	0.2
124.70023	0.2
125.02428	0.4
137.02472	0.2
138.01987	3.2
139.02345	0.4
161.04578	0.3
169.01390	0.4
179.03601	0.3
249.15009	0.3
285.04016	0.4
327.21741	0.3
435.36304	0.2
473.32751	100.0
474.33102	16.3
481.26834	0.3
487.33994	0.7
515.34070	0.3
635.38385	0.6
695.40399	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98827	1.2
64.38968	0.9
78.95914	17.7
80.02674	2.6
81.03473	2.4
83.05039	7.9
84.02183	1.9
90.30505	0.9
96.96988	0.8
98.19862	1.7
122.00134	1.2
135.08156	1.5
140.01160	6.7
163.11284	7.9
165.12839	3.7
179.08212	0.9
190.33261	0.9
191.10747	1.7
196.03793	4.4
197.11786	1.1
199.13420	11.7
209.11842	100.0
210.12221	5.1
227.10738	1.7
227.12910	26.9
228.13260	2.2
229.49240	0.9
248.14056	0.9
253.09360	1.3
255.23322	57.3
256.23676	3.7
259.15530	1.0
277.21783	9.2
325.46835	1.0
371.51013	1.0
452.27866	4.2
662.40552	16.5
663.40930	2.9
665.52405	1.1
694.42993	53.3
695.43408	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	694.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	8.6
61.98835	59.7
71.01376	3.7
78.79131	1.8
89.02495	2.6
89.22787	2.1
96.96016	6.7
98.98096	2.0
105.05885	2.5
107.03719	3.6
110.06089	5.3
112.23361	1.9
117.95486	1.8
120.08201	25.8
121.02991	2.0
122.06129	47.5
125.02471	4.8
144.04552	2.5
145.02957	3.1
153.15915	1.9
162.05466	1.8
169.01385	5.4
174.05605	3.4
187.06396	2.0
203.05873	4.5
223.08607	2.2
237.10263	2.3
239.11742	1.9
245.86955	1.9
249.10446	2.1
250.11076	2.7
251.11916	17.5
263.08194	3.5
263.11877	2.8
264.09076	2.8
265.13440	2.9
276.09042	3.0
277.09714	15.8
278.10449	7.5
279.11319	5.2
283.10776	3.1
291.11417	24.7
292.12140	29.9
293.12976	16.1
294.13589	2.4
301.00034	3.5
320.14767	2.3
324.11023	3.7
335.10382	7.4
336.11227	10.7
337.11966	5.9
360.17368	5.6
372.17255	6.5
374.18805	4.4
385.14255	2.0
386.14877	2.1
402.18271	4.7
414.18152	7.9
415.19229	3.3
418.17450	5.3
432.19257	5.7
433.19861	2.3
436.18634	3.2
458.17218	5.2
459.17963	4.8
471.31024	8.7
472.31555	14.1
473.32336	3.1
476.18219	14.7
477.18875	8.1
478.19138	2.3
490.19974	4.1
495.23889	2.3
503.33905	2.5
508.20877	62.3
509.21329	10.0
537.24884	6.4
555.26239	11.7
575.99622	2.7
581.24225	5.2
599.25116	68.9
600.25281	11.6
613.26343	3.7
631.27747	100.0
632.27948	18.9
659.36371	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	693.423
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79310	0.7
57.76014	0.6
59.01385	100.0
60.01719	0.9
61.98837	10.7
62.55182	0.6
63.17731	0.7
70.11956	2.9
71.01398	2.2
76.83502	0.6
77.04782	0.6
78.95890	0.9
85.02955	1.0
89.02458	1.2
96.96014	3.1
96.96989	0.8
101.02469	2.0
113.02475	0.7
116.92848	0.7
119.05104	0.6
125.02463	1.0
137.02496	1.9
138.02036	1.9
157.47102	0.7
163.33318	0.6
169.01477	1.7
169.12404	1.4
170.12761	0.7
171.10384	0.8
175.04001	0.7
177.09230	1.0
207.10240	1.3
209.11847	3.3
210.12190	0.8
211.13416	4.0
225.11267	0.8
227.12955	0.7
237.09148	0.7
247.09662	0.6
249.11058	0.6
301.00204	0.7
391.25253	0.8
401.23715	0.8
425.30792	1.5
453.30475	0.7
471.24228	1.4
471.31131	39.4
472.31610	5.9
487.34332	67.4
488.34653	9.5
495.37079	2.5
497.32199	0.6
501.36075	1.0
529.35632	2.6
613.39514	11.5
614.40076	1.7
619.30933	0.8
637.32104	3.0
638.32825	1.3
639.33142	1.3
655.33905	0.9
656.10229	0.7
657.42834	0.8
661.33990	2.6
690.60742	0.7
693.41101	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	693.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27673	0.3
58.67161	0.3
59.01386	26.5
61.98837	13.8
70.97273	0.5
70.97594	0.4
71.01376	1.0
78.31918	0.3
78.66620	0.3
78.95949	0.4
80.71188	0.3
83.23402	0.3
88.98811	0.3
89.02457	0.7
96.44565	0.3
96.96034	0.9
101.02444	1.1
113.02471	0.5
119.03531	0.6
122.06135	1.2
143.04796	0.3
152.07191	1.7
152.70206	0.3
161.04596	0.4
169.01440	0.5
177.09198	0.4
179.05614	0.4
188.01376	0.3
209.11870	3.2
211.13394	3.9
224.09546	0.4
227.12888	1.0
230.98125	0.3
253.09337	0.5
300.99866	0.4
305.09552	0.6
315.52997	0.3
319.05991	0.4
334.69849	0.3
349.39218	0.3
351.16574	0.3
373.67960	0.3
447.22406	0.7
470.16257	0.3
470.33563	0.5
471.34833	100.0
472.35178	15.0
485.36746	0.5
495.36902	0.8
534.22589	1.7
535.21997	0.4
633.39551	0.7
657.29413	1.8
658.29559	0.3
693.42328	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67815	2.2
54.21173	2.1
59.01397	11.9
59.44777	2.7
61.98835	20.1
66.31253	2.8
71.01371	3.5
77.59556	2.5
82.19775	2.9
83.05070	2.4
183.13963	5.2
193.40768	2.3
209.11859	83.8
210.12189	5.8
211.13412	100.0
212.13768	8.0
227.12915	24.1
235.08324	5.4
253.09300	11.2
289.38718	3.0
308.36279	3.0
445.20813	7.3
447.22501	15.8
471.34186	3.9
598.91150	2.7
639.33783	3.9
693.32660	29.5
694.33612	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	693.4226
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33689	0.3
58.92366	0.3
59.01387	31.5
60.01694	0.4
61.98836	1.7
71.01392	0.3
80.79596	0.3
88.53684	0.3
89.02480	0.4
96.96023	0.4
101.02444	1.0
119.03581	0.4
148.97618	0.3
169.01416	0.3
171.10272	1.0
186.60831	0.3
207.10124	0.4
209.11815	1.1
211.13419	3.2
393.31802	0.4
395.02515	0.4
471.34836	100.0
472.35181	14.3
472.42081	0.5
629.84424	0.3
633.40021	1.2
656.42395	0.3
693.42670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14085	2.0
57.59429	1.7
59.01382	24.1
61.98832	13.4
62.75550	1.8
68.72916	1.6
70.86383	1.9
70.86707	4.7
90.49064	1.9
105.12599	1.8
108.85486	1.8
113.02475	3.0
138.26413	1.7
155.79700	2.1
183.13890	3.1
193.12283	2.6
209.11856	59.1
210.12282	2.3
211.13420	100.0
212.13745	6.5
227.12859	16.2
235.08298	6.0
249.14874	2.0
253.09247	7.1
302.51526	2.8
401.59293	1.9
425.31427	2.0
445.20563	3.4
447.22391	17.2
448.22977	2.6
471.35025	47.7
472.34985	6.6
621.33081	2.7
693.32489	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	691.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01386	32.5
59.37552	0.4
61.43951	0.3
61.98838	5.3
69.03464	0.5
71.01391	11.6
71.05019	0.6
72.99323	0.6
73.02951	0.8
74.25936	0.4
78.95916	0.8
83.01398	0.5
83.05009	0.6
85.02963	1.1
87.00891	0.6
88.98795	0.5
89.02460	5.9
95.01393	0.6
96.96036	2.0
97.02921	0.7
97.06586	0.5
101.02445	4.5
109.06573	0.5
113.02457	3.8
116.21883	0.3
119.03517	3.2
121.59068	0.5
125.02432	1.0
133.22000	0.4
138.02029	0.5
141.61998	0.3
143.03482	1.0
161.04553	1.2
163.04086	0.4
169.01457	0.6
171.10284	3.8
172.10655	0.4
179.05602	2.4
183.13936	0.8
195.13885	1.6
199.09764	0.6
201.11337	1.3
207.10266	1.2
209.11862	1.6
211.13416	6.4
223.13434	1.4
225.11394	0.5
227.12874	0.4
235.08223	1.1
253.09337	1.1
275.20264	1.0
293.21268	19.7
294.21616	2.1
300.99915	0.5
397.13531	4.7
407.29544	0.7
415.14603	5.4
423.32690	4.4
424.32870	0.7
439.28531	0.6
469.33273	100.0
470.33600	16.1
613.38379	0.7
619.32196	0.7
631.38660	1.1
637.32623	0.5
691.35730	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06580	1.7
60.45336	1.9
67.29320	1.7
70.79362	3.9
76.97036	1.7
78.95917	50.1
80.02687	2.4
81.03460	1.7
83.05017	8.2
96.96967	2.7
110.68427	1.7
130.83168	1.6
152.98376	3.7
152.99602	62.0
163.11269	7.9
165.12840	3.7
171.00574	5.8
199.13358	1.9
209.11861	100.0
210.12122	6.4
227.03255	5.7
227.12921	12.4
229.18166	1.7
245.88361	1.7
253.21776	16.9
277.21652	6.6
278.24490	1.7
297.56723	1.8
354.57620	1.9
363.12103	6.4
406.98108	1.7
413.21005	3.6
437.15915	4.3
455.16922	85.0
456.17206	7.5
691.38232	71.0
692.38507	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	691.355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23289	1.4
57.03463	1.9
59.01381	15.6
61.98834	33.1
68.99574	2.2
69.03458	1.8
70.37912	1.5
71.01390	21.8
71.56227	1.7
73.02975	2.2
75.00874	2.2
78.14662	1.6
78.95921	2.6
81.03448	2.5
83.01392	1.8
83.05034	5.3
85.02950	3.6
87.00877	2.0
88.98797	2.2
89.02446	8.8
91.47420	1.6
95.05038	2.4
96.96024	9.4
97.06609	5.2
101.02457	7.3
109.06615	4.0
111.04482	1.9
112.98627	1.4
113.02454	5.6
113.18513	1.9
125.02443	3.1
125.09697	2.9
138.01997	5.1
145.05211	1.6
147.64386	2.0
148.92293	1.6
151.11284	14.6
161.04523	3.0
163.11275	5.9
165.12846	2.2
169.01408	3.5
169.12360	79.4
170.12721	3.5
171.10262	10.6
179.05566	2.2
183.13934	2.5
195.10289	2.3
207.10243	7.9
209.11858	51.7
210.12122	2.7
211.13397	32.2
213.11359	8.0
225.11348	5.7
227.12924	6.2
235.08333	3.8
253.09247	8.9
280.92517	1.9
293.21292	4.5
300.99872	3.7
366.45541	1.6
373.23828	1.8
383.22134	2.4
391.25214	2.2
401.23373	5.2
419.24414	3.4
423.29297	2.5
431.19308	3.5
449.20309	5.4
469.29605	3.8
493.35474	2.6
609.32874	3.3
619.31122	4.6
637.32404	32.5
638.32422	5.7
655.32672	9.2
659.32904	100.0
660.33496	17.4
691.36340	12.2
709.83820	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	691.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95773	7.2
56.67908	7.3
61.98826	17.2
64.99069	8.2
69.44911	64.0
89.91243	7.5
109.06598	15.6
181.15459	8.0
207.10309	49.5
211.13408	100.0
225.11345	25.2
241.47162	11.0
253.09291	12.6
337.76956	9.0
383.22305	9.9
393.28787	8.3
401.23157	15.0
441.77243	8.0
461.20535	19.6
637.32562	53.3
638.31873	13.4
655.33130	50.1
656.34100	10.0
691.30646	23.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01076	2.3
59.01386	18.2
61.98828	16.9
69.35874	17.3
70.50125	2.8
71.01385	27.8
73.02988	3.1
85.02959	3.5
87.00901	4.1
89.02486	5.0
96.96043	5.2
97.02947	3.0
101.02462	8.2
101.35159	2.6
109.06613	10.6
111.68765	3.2
113.02466	4.3
117.21107	2.4
121.06640	3.0
125.09739	3.1
138.01952	4.0
161.04552	2.8
163.11288	4.0
171.10307	13.8
177.09155	3.6
179.05605	5.1
183.13904	7.1
185.11772	3.2
193.32797	2.9
201.11263	3.1
207.10272	28.9
209.11867	11.7
211.13408	74.5
212.13921	2.7
225.11288	18.1
235.08226	8.2
242.29747	2.5
251.12654	2.5
253.09377	9.3
283.29947	2.8
293.21664	3.2
335.96915	2.8
373.23874	4.3
375.21878	3.3
381.72223	2.8
383.22314	8.4
401.23450	23.6
402.23895	3.0
419.24368	8.8
447.22382	7.4
461.20361	7.7
469.33749	4.3
493.35352	3.5
609.32861	7.5
611.30829	6.0
619.31476	15.2
620.31738	3.2
637.32281	100.0
638.32520	17.8
655.33209	40.5
656.33350	6.3
691.31329	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	691.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.1
60.56324	1.3
60.82776	1.3
67.01888	4.2
69.34200	10.6
70.40678	1.1
71.01394	6.6
72.99325	3.2
73.02934	1.5
76.14782	1.3
79.01891	3.8
83.01402	3.1
84.07358	1.6
85.02956	3.4
87.00887	2.9
93.03469	1.4
95.01382	8.0
96.96020	17.6
97.02937	1.5
98.19810	2.4
101.02464	2.8
107.01390	14.8
110.00097	1.8
111.00903	9.6
113.02483	2.4
121.02928	2.1
122.03737	3.0
123.00902	35.8
123.04565	2.8
124.01680	5.0
125.02462	63.2
126.02797	1.9
127.00417	3.3
136.01663	2.0
136.98831	5.1
139.00388	17.9
139.04024	1.9
140.01172	12.0
141.01961	3.1
149.02461	5.1
150.03256	19.7
151.00400	21.9
151.04027	5.2
153.01915	2.1
164.04796	2.6
165.05571	12.9
166.02740	26.0
166.06052	1.5
166.99837	9.7
167.03479	6.5
168.00658	26.4
169.01439	88.8
170.01823	3.4
177.04039	5.0
180.04439	1.5
181.01558	1.7
181.05086	15.5
183.03027	7.6
207.02893	1.3
210.01793	1.3
210.57413	1.2
211.02435	9.9
225.04079	3.1
241.03775	2.5
271.04742	4.0
275.02039	3.5
285.06305	1.4
297.06165	1.5
300.99918	2.0
313.05670	20.9
327.07080	1.9
329.05179	4.3
383.50015	1.2
387.16788	2.6
491.11850	7.9
493.13623	1.8
494.14258	28.3
495.14896	6.4
509.12817	40.3
510.13245	6.1
523.14508	1.7
539.18451	4.2
549.16644	7.4
553.60413	1.4
643.20245	9.5
644.21600	1.8
655.20813	3.7
673.21509	21.2
674.20917	3.3
691.21820	100.0
692.22101	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	691.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.3
63.72384	0.8
67.01904	1.0
69.03468	1.3
71.01404	3.7
79.01908	1.1
82.94097	0.7
83.01415	0.8
85.02950	1.2
87.00901	0.9
89.09488	0.7
95.01387	2.2
96.96021	1.3
97.02964	1.4
99.00866	1.1
101.02457	1.4
107.01407	10.8
109.03003	1.0
111.00886	3.0
111.35385	0.7
113.02438	2.1
114.90813	0.8
121.02961	4.2
122.03707	0.9
123.00897	13.2
123.04494	0.9
124.01688	1.6
125.02467	62.8
126.02774	1.9
127.00369	1.5
136.98822	1.8
137.02432	1.8
139.00410	4.9
139.04045	1.7
140.01157	3.5
141.01857	1.0
149.02477	9.8
150.03275	6.3
151.00404	8.8
151.04060	1.9
152.00826	0.7
161.02435	0.9
162.03200	1.0
164.04797	2.4
165.05585	7.0
166.06375	8.2
167.07112	2.1
168.00641	5.4
169.01445	79.6
170.01744	3.5
177.05556	0.8
181.08704	2.6
183.03020	5.0
193.01488	1.0
195.06607	0.8
211.02486	1.9
229.01366	1.3
229.15306	1.1
241.03485	1.9
275.02051	1.0
297.06226	0.8
300.99945	8.3
302.00281	3.0
303.00482	3.5
305.04379	1.3
311.70432	0.9
313.05682	23.1
314.06003	1.6
314.11594	2.6
327.07236	2.4
329.14020	3.6
366.53372	1.0
392.03751	1.0
393.37027	0.8
491.12009	1.0
493.13901	1.3
509.12955	8.2
644.01672	0.9
678.53326	1.0
691.22473	100.0
692.22766	18.2
721.98083	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.51726	1.0
59.01371	4.7
67.01870	3.9
68.99763	1.5
69.03448	1.8
71.01395	5.9
71.56720	2.1
72.33660	1.1
72.99310	1.5
74.44842	1.0
79.01878	2.8
83.01373	1.6
85.02918	1.4
93.03397	1.3
95.01406	5.8
96.96027	35.0
97.02940	2.2
101.02429	2.1
107.01408	14.1
108.02168	1.4
111.00888	6.2
113.02438	1.6
121.02953	2.4
122.03715	2.9
123.00900	27.6
123.04526	2.2
124.01609	3.5
125.02464	76.0
125.24621	1.1
126.02831	1.3
127.00355	1.9
136.01630	1.9
136.98795	4.4
137.02451	1.2
139.00404	11.2
139.03998	1.9
140.01175	9.8
141.01891	3.0
145.02945	1.4
149.02423	4.6
150.02216	1.4
150.03250	19.8
151.00383	23.3
151.03938	5.0
152.01065	1.9
153.01947	2.0
162.03221	2.0
163.11227	1.7
164.04811	2.2
165.05580	13.7
166.02733	42.3
166.06317	1.5
166.99811	3.5
167.03503	6.7
167.99402	1.4
168.00673	17.4
169.01447	100.0
170.01743	3.0
177.04034	3.2
180.04254	1.6
181.05080	20.1
183.02995	5.8
195.06526	2.8
211.02495	8.5
223.02492	1.0
225.03958	1.6
232.08536	1.3
241.03482	3.0
271.04541	1.9
275.01910	4.5
297.05954	1.4
300.99713	2.6
313.02328	1.8
313.05652	30.1
327.07343	2.1
353.78226	1.2
373.08725	1.3
387.16458	2.7
415.02100	1.3
442.27588	1.2
491.12030	12.8
493.13065	1.9
494.14285	14.5
495.14575	3.0
509.13025	61.0
510.13419	5.5
539.17914	7.1
549.15741	4.6
593.14954	1.6
643.20313	2.5
673.21246	11.6
674.21100	1.3
691.19678	82.0
692.20441	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	691.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	57.0
61.98838	5.3
67.01865	1.0
71.01387	13.8
71.57058	1.3
72.99321	1.4
77.46816	1.2
82.03786	1.0
83.01382	1.4
85.02958	3.3
89.02456	12.8
95.01395	3.2
96.96015	12.1
98.06086	1.1
99.00913	1.5
101.02448	9.8
103.93926	1.0
107.01392	5.7
111.00854	2.6
113.02470	7.3
119.03497	6.0
121.02898	0.9
123.00904	10.7
124.01673	2.5
125.02465	33.8
127.00442	1.1
136.98781	1.6
139.00380	4.7
140.01146	5.0
149.02425	1.0
151.00409	5.8
160.37350	1.1
163.03973	1.3
163.11317	6.4
166.99799	1.2
168.00626	4.3
168.06674	1.4
169.01445	34.3
170.01912	1.2
177.55801	1.2
207.10283	18.7
211.02495	8.7
224.51744	1.1
225.11288	1.6
247.02423	1.4
271.04654	7.2
285.04352	1.1
300.99939	5.3
305.18393	0.9
313.05707	3.0
387.16660	50.2
388.16891	4.4
479.15677	7.2
521.16473	4.7
538.20233	1.8
539.17633	79.8
540.17908	10.7
631.16840	2.8
691.18829	100.0
692.19183	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	691.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98952	0.6
59.01396	1.4
65.03949	0.7
71.01382	1.4
89.02452	0.7
93.03477	3.2
95.04992	0.9
96.96024	1.5
101.02430	1.2
109.02952	3.5
117.03490	1.0
121.02971	1.0
123.00858	1.8
124.01708	0.8
125.02439	1.9
133.02898	0.8
135.04504	0.6
137.02463	10.5
139.04030	25.6
145.02933	1.8
147.04536	1.8
153.02000	1.1
157.02980	1.9
159.04553	1.1
161.02406	1.1
163.04016	0.7
165.01955	12.5
166.02313	0.8
173.02443	3.0
175.03972	3.7
177.01904	1.0
182.02242	0.8
183.03006	9.8
185.02469	4.6
186.02963	0.7
187.04041	0.8
187.33688	0.7
191.03505	1.9
201.01968	6.2
202.02594	0.6
203.03497	9.3
205.01369	0.6
207.03035	0.7
209.00926	26.9
210.01221	1.1
210.45682	0.7
213.01933	1.6
217.01424	1.3
218.02328	1.1
219.02995	2.3
225.04018	1.6
227.01895	4.9
229.01439	15.5
229.03671	1.2
230.01912	0.9
231.03046	6.1
232.03439	0.9
245.00949	2.3
247.02449	2.3
249.04044	12.3
257.00912	12.7
258.01657	5.1
273.00342	1.7
274.01175	2.2
275.01999	91.6
276.02280	6.5
283.99567	2.5
285.06189	1.9
299.99075	3.0
300.99915	100.0
302.00290	6.1
319.01221	1.2
327.07144	3.6
345.08209	2.1
353.05402	1.1
371.06110	3.9
372.06558	0.7
389.07104	3.5
419.06271	5.8
437.07373	3.8
438.07562	0.8
481.06079	0.9
603.10236	3.2
629.07520	5.1
630.08234	0.7
647.08868	7.1
648.09668	1.1
673.07104	0.7
691.07806	10.7
692.08179	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	9.5
61.98841	59.3
70.11996	7.2
71.01376	4.8
78.95882	2.3
80.05049	2.5
83.05009	2.3
89.02460	1.8
101.02434	2.6
102.57157	2.2
105.89352	2.0
108.08215	5.6
112.44169	1.9
120.08204	20.8
121.05344	4.9
122.06142	27.5
134.06102	2.9
136.07704	97.3
137.08023	3.7
160.04033	3.8
183.13911	4.3
190.05106	2.6
193.49951	2.1
204.83675	2.5
207.10207	3.9
209.11862	51.3
210.12183	22.3
211.13414	58.3
212.13748	26.9
223.08791	6.3
225.11128	2.0
227.12863	7.1
228.13297	5.3
229.13426	3.1
235.08377	2.0
237.10405	6.0
238.11169	4.1
239.11877	6.7
251.08266	2.9
251.11943	5.2
253.09344	3.9
263.08298	5.5
264.09030	7.4
265.09833	2.2
271.10977	2.4
277.09888	2.8
278.10599	4.8
279.11414	31.4
280.11862	4.9
291.11499	7.7
292.12097	2.4
297.12280	2.1
305.09305	2.0
315.09109	2.1
323.10446	4.2
359.41971	2.2
360.06610	2.3
386.18866	7.5
388.20535	3.0
400.20706	2.7
401.21161	2.7
428.19861	14.6
429.20410	2.7
432.19348	7.3
433.19824	2.4
447.22379	3.2
448.22806	2.4
455.18457	2.9
468.31555	3.5
469.33124	6.0
472.18741	17.9
473.19473	12.6
504.21533	43.6
505.21796	6.6
551.26733	22.1
552.26733	3.4
595.25653	100.0
596.26001	20.8
627.28308	48.8
628.29016	9.2
637.32275	2.8
655.32953	4.5
690.35236	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40358	24.2
58.92541	25.4
59.01369	27.6
59.78798	24.9
61.98837	86.2
62.09700	24.5
71.01409	52.9
71.56906	27.8
71.57327	49.8
71.57696	31.3
121.02975	86.5
171.10306	50.1
209.11842	100.0
211.13406	94.4
223.13358	35.5
443.19312	30.7
487.28491	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	689.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
58.66101	7.9
59.01387	13.5
59.33717	9.1
61.98827	25.1
67.13028	8.4
71.01381	13.3
71.62901	11.7
86.86552	8.4
89.02408	10.9
96.96004	11.0
101.02412	9.7
101.74075	8.5
116.37652	9.6
159.00136	7.6
175.10884	8.3
193.76247	8.6
198.97949	8.6
255.23271	32.1
335.08340	9.5
396.21140	8.4
397.13574	100.0
415.14566	18.4
653.37640	12.7
689.35455	61.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94822	0.9
59.01399	2.2
62.40929	1.0
69.03430	1.2
71.01373	2.9
71.56620	1.1
72.99315	1.2
79.01888	1.4
81.03436	1.5
83.01385	1.6
89.02457	1.4
95.01390	2.7
96.96048	1.1
97.02975	2.7
101.02480	1.8
107.01405	9.0
109.02939	1.4
111.00888	3.6
114.56524	0.9
123.00903	11.4
123.04614	1.1
124.01660	3.4
125.02464	43.1
126.02819	1.5
127.00362	1.0
136.05283	1.0
136.98822	1.4
137.02400	1.5
139.00397	5.2
139.03949	1.5
140.01212	4.8
148.82205	1.1
151.00380	6.9
151.04080	0.9
153.01929	1.0
161.09703	1.2
163.04050	1.2
165.01859	1.1
165.05602	1.4
168.00682	7.6
169.01448	54.8
170.01743	1.8
179.03499	1.5
195.06564	1.0
211.02484	5.4
214.44684	0.9
229.01396	1.0
237.04057	1.2
271.04581	2.2
273.00290	1.3
275.01968	1.2
285.64856	1.0
295.04617	1.6
299.99164	1.5
301.00021	9.2
313.05682	2.3
328.87006	1.1
369.95190	0.9
519.18890	6.5
537.19763	7.1
609.32959	1.1
689.20898	100.0
690.21106	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	689.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
61.98832	1.4
62.62288	0.4
67.01900	0.4
69.03465	1.9
69.41703	1.5
69.42133	1.4
71.01393	1.5
79.01905	1.0
81.03464	0.9
83.01390	0.8
85.02968	0.7
89.02456	0.7
90.70834	0.4
95.01426	1.0
96.96023	1.8
97.02988	2.1
97.06630	0.5
99.60949	0.5
101.02425	0.7
107.01421	3.1
109.06596	0.4
113.02463	0.4
119.99792	0.3
123.00125	0.4
123.00922	1.9
124.01682	0.7
125.02461	66.0
126.02802	1.6
132.09126	0.3
137.02541	0.6
139.00421	0.5
140.01268	0.4
140.39088	0.4
150.06837	0.7
151.00391	1.0
151.07234	0.4
163.04050	0.5
163.11256	0.8
168.00606	0.7
169.01450	100.0
170.01814	2.8
171.10297	4.4
179.10800	1.8
193.01430	0.7
201.11307	0.6
207.10307	0.9
209.11858	8.6
211.02544	0.7
223.09828	1.0
225.11263	2.4
227.12926	1.3
253.09277	1.3
259.10840	1.0
263.13013	0.4
274.13281	0.6
296.52463	0.4
300.99963	1.1
313.05505	0.5
324.99902	0.7
333.14655	1.7
367.13928	0.8
475.15948	0.9
506.31705	0.4
519.15131	5.3
520.15887	0.6
537.16187	2.6
601.05267	0.4
635.31238	0.6
688.39557	2.4
689.17053	9.0
689.40405	0.6
690.17963	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	689.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.5
57.18013	0.4
59.01385	1.8
61.65878	0.4
61.98836	3.0
65.18982	0.4
69.03466	2.0
71.01392	2.3
73.02922	0.6
77.78756	0.4
79.01895	0.7
81.03476	0.8
83.05025	0.8
85.02979	1.0
86.66776	0.3
88.98818	0.7
89.02480	0.5
95.01406	1.1
96.96037	2.8
97.02982	1.8
99.00928	0.4
101.02485	1.2
107.01405	5.2
109.06638	0.4
111.00898	0.8
113.02473	0.8
116.92888	0.4
117.03441	0.4
119.05033	0.6
120.04597	1.1
121.03012	0.9
122.06132	0.5
123.00912	3.6
123.04527	0.4
123.69869	0.3
124.01636	0.6
125.02466	63.8
126.02801	1.7
129.49419	0.3
132.29895	0.4
137.02454	0.7
138.05640	0.6
139.00415	0.9
145.02975	1.3
149.02548	0.5
150.03230	0.5
150.05641	0.5
150.06906	0.7
151.00427	2.0
151.04037	0.9
151.07399	0.5
152.07210	0.4
160.04094	0.5
161.09749	1.0
163.04091	0.7
163.11378	0.6
165.02000	0.5
165.05589	1.0
165.21204	0.4
167.03499	0.4
168.00751	0.9
169.01447	100.0
170.01805	4.0
171.10278	6.6
179.03523	0.5
179.10774	3.8
180.11145	0.4
193.01526	0.8
195.06557	0.5
201.11307	0.7
207.10226	0.9
209.11844	9.7
210.12073	0.5
211.02499	2.0
223.09840	2.6
225.11346	3.1
227.12878	1.9
227.14819	0.4
241.05194	0.7
253.09413	1.3
256.07584	0.5
271.04611	0.5
271.09842	0.8
285.04062	0.5
293.09399	1.1
295.10834	0.5
299.99246	0.5
300.99957	1.9
307.08221	0.6
313.05789	0.9
321.08838	0.5
339.09891	0.6
361.16611	0.5
367.13998	2.3
375.26926	0.4
385.15207	0.6
435.49030	0.4
475.16238	1.3
488.34714	1.2
489.26355	0.4
489.35669	3.3
490.36163	1.5
493.17191	0.6
519.15155	13.0
520.15576	1.8
526.34387	0.5
537.16077	6.1
581.23749	0.6
627.24133	0.5
639.24854	0.8
657.25592	1.0
688.38904	1.9
689.17444	6.4
689.31860	1.7
689.39960	0.7
690.17804	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	689.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98849	0.7
67.01900	0.4
69.03468	1.5
71.01398	1.1
79.01900	0.6
80.71130	0.3
81.03473	0.6
83.01410	0.3
83.05026	0.5
85.02954	0.5
89.02489	0.3
95.01408	0.8
96.96037	1.1
97.02959	1.2
98.19952	0.8
100.41415	0.3
101.02444	0.7
107.01410	2.8
108.36900	0.4
121.02938	0.6
123.00912	1.8
124.01663	0.5
125.02458	60.3
126.02787	2.0
135.11816	0.4
137.02455	0.4
139.00418	0.8
150.06870	0.7
151.00398	0.8
153.02028	0.4
168.00598	0.4
169.01437	100.0
170.01788	3.6
171.10289	3.4
172.10641	0.4
179.10764	1.6
193.01489	0.5
201.11362	0.4
207.10318	0.8
209.11850	6.5
211.02536	0.9
213.47881	0.3
223.09692	0.8
225.11417	2.2
227.12933	1.4
245.14140	0.4
253.09322	1.1
257.13156	0.5
259.10913	0.9
274.13043	0.4
300.99957	1.3
313.05896	0.4
333.14493	2.1
361.16385	0.6
367.13696	0.7
393.06787	0.3
421.30762	0.3
475.16153	0.8
519.15057	6.4
520.15436	0.5
537.16260	2.1
645.17920	0.5
657.22400	0.4
688.39581	2.0
689.17096	8.9
689.40552	0.7
690.17279	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	689.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
69.32077	3.6
69.32483	11.5
87.83952	1.6
95.31174	1.5
96.96024	3.5
110.19262	1.7
125.02451	4.9
126.95898	2.1
154.49513	1.5
169.01474	4.6
189.02002	1.6
201.01903	3.0
228.53198	1.7
229.01413	3.0
283.99652	3.5
299.99216	3.4
300.99918	100.0
302.00256	4.4
386.06125	1.7
689.21173	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	689.136
Annotation	Unknow
Peak:m/z	Relative Intensity
63.64727	1.2
64.10432	1.1
66.99368	1.0
67.18816	1.0
72.08597	1.2
76.71401	1.3
79.45317	1.2
82.72500	1.1
84.22425	1.1
96.96012	1.1
123.00875	1.1
125.02410	1.7
125.73404	1.1
138.12213	1.1
145.02977	2.2
169.01443	1.4
183.12392	1.1
185.02481	3.2
201.01886	2.0
226.85652	1.2
229.01410	5.3
245.00835	1.7
257.00845	2.5
283.99567	2.0
299.99203	1.9
300.99924	100.0
302.00211	7.1
460.26971	1.1
649.05005	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23595	0.2
59.01383	0.3
61.98835	1.5
65.23990	0.2
78.95914	5.1
79.95744	3.1
93.30812	0.2
94.92522	0.3
96.92215	0.7
96.96025	100.0
96.96927	7.9
97.95924	0.3
98.20660	0.5
103.39874	0.2
124.99894	0.2
153.11470	0.2
160.22119	0.2
186.18896	0.2
233.33096	0.2
336.22101	0.2
590.39905	0.3
628.33929	0.7
652.39063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.1
59.01381	3.4
60.67183	0.6
61.98836	4.9
68.30048	0.6
69.03456	0.7
70.87161	1.3
71.01381	3.6
71.05034	1.0
73.02961	1.4
73.43591	0.6
74.59601	0.6
78.95915	5.5
79.95751	1.2
81.03482	0.7
83.01398	0.7
85.02975	2.4
87.00909	1.9
88.98788	1.2
89.02480	1.0
93.03474	1.2
95.01412	1.2
96.96022	46.2
96.96939	5.3
97.03016	1.0
99.00890	0.7
99.04540	1.7
101.02473	2.1
107.01413	1.9
109.02944	1.2
113.02486	1.4
117.03482	7.5
118.03839	2.3
119.05038	4.5
121.02958	7.9
123.00904	2.5
123.04579	1.3
125.02473	15.6
126.02798	1.0
133.02994	1.3
135.08192	0.9
136.01750	0.8
137.02499	1.3
139.00423	0.8
139.04012	1.0
145.02966	23.7
146.03293	9.8
146.04364	0.7
147.03522	2.3
149.02489	1.4
149.06015	4.0
150.03230	2.6
150.06883	35.7
151.00401	5.0
151.03891	1.5
151.07307	1.3
152.00807	1.8
153.01965	0.7
154.01526	0.6
161.09760	2.1
163.04041	4.4
163.07683	8.4
164.04478	1.0
164.08437	6.3
165.01869	0.7
165.05626	4.1
166.02737	10.3
166.06052	0.9
167.03096	4.6
167.06015	0.6
168.00697	1.4
168.03134	0.7
169.01425	19.2
173.02631	0.7
175.04062	1.0
176.08398	1.0
177.02013	0.7
177.05595	0.6
177.09215	1.1
178.10048	1.8
179.10793	16.2
180.11092	1.0
181.05115	7.3
182.05414	3.0
183.05591	1.4
191.03625	0.7
193.08661	0.7
195.06660	1.4
211.02481	0.9
213.05548	1.0
229.01535	0.9
231.02510	0.6
241.05084	5.3
256.07489	3.7
257.00922	1.2
265.14484	0.7
271.09766	8.4
272.10114	1.5
275.02087	2.6
284.03290	1.7
285.04065	6.6
286.04630	3.7
299.05646	0.9
299.99170	1.2
300.99924	17.2
302.00458	1.6
307.08273	4.9
308.08493	4.5
309.08762	3.8
313.05933	0.7
319.12119	1.0
343.24835	0.8
345.22852	2.6
367.14041	1.0
373.26117	1.1
446.30392	1.1
461.32855	1.9
464.31430	5.2
476.18607	0.7
478.33075	1.6
479.33780	7.7
480.34875	0.9
489.17966	1.4
489.32449	0.8
503.15823	3.1
504.15915	6.1
505.16226	13.1
506.16504	1.1
506.32791	2.6
507.33273	8.3
508.33936	1.1
524.33374	1.3
525.34387	18.1
526.34637	2.9
624.13446	4.7
639.23883	1.5
687.20660	2.7
687.40002	100.0
688.22571	1.5
688.40491	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	687.368
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15360	4.9
59.01385	7.4
61.35802	4.1
61.98825	7.4
71.46588	6.5
73.58085	4.7
80.96524	11.4
96.96009	9.2
117.03454	20.8
119.05019	16.0
121.02171	5.8
121.02979	67.0
121.68198	5.4
135.31017	4.4
145.02957	80.7
163.04054	7.6
170.22530	5.6
181.05026	15.1
209.11823	8.1
211.13542	7.0
317.04086	4.5
355.32040	4.7
460.56961	4.7
469.33173	7.9
474.90643	5.0
487.34128	7.2
540.90588	4.7
633.38013	100.0
634.38379	18.0
651.38519	18.3
652.39923	6.1
687.31000	19.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3969
Annotation	CHEBI:69613
Peak:m/z	Relative Intensity
57.03446	1.1
59.01376	1.1
61.98838	0.6
62.30904	0.4
67.01882	0.4
69.26766	3.8
71.01401	1.5
85.02970	1.3
87.00912	0.7
96.96040	1.4
98.19845	0.7
101.02450	0.6
107.01393	1.3
109.06592	0.5
117.03506	0.8
122.56339	0.5
123.00896	2.8
123.04523	0.5
123.08178	1.1
125.02452	6.8
135.08179	1.3
136.01700	0.8
136.05322	0.5
137.09708	0.8
139.00403	0.7
145.03017	0.6
149.06094	4.9
150.06874	42.1
151.00403	1.7
151.04057	0.5
151.07321	1.3
151.65010	0.4
152.04788	0.4
153.09283	0.5
155.10783	1.0
161.09741	1.0
162.06906	0.7
163.07666	8.2
164.08427	7.4
168.00681	0.5
169.01445	12.2
170.01718	0.6
171.10339	0.8
176.08508	0.8
177.09206	1.0
178.10068	2.2
179.10785	18.7
180.11192	1.4
187.09666	0.5
193.08812	0.5
211.02545	1.2
213.05627	1.0
224.64992	0.5
241.05069	5.8
256.07394	3.6
271.09775	8.8
272.10098	0.6
313.05670	0.9
319.12000	2.0
343.25024	1.1
345.22885	4.3
346.23358	0.5
351.36884	0.5
373.25946	1.5
410.24658	0.5
446.29874	0.9
461.33026	0.7
464.31448	5.0
465.31998	0.8
478.32971	1.2
479.33759	8.3
480.34488	0.8
487.34277	0.8
506.32770	2.2
507.33231	3.6
508.33704	0.6
524.33087	2.5
525.34314	26.7
526.34717	3.0
679.82434	0.5
687.40076	100.0
688.40497	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	687.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	5.6
61.98803	3.7
69.03439	3.5
70.57653	2.2
70.58015	2.2
71.01396	5.6
71.04983	1.9
83.04991	4.7
85.02930	1.6
87.00869	1.2
89.02406	3.3
95.05010	1.8
96.12015	1.1
96.95952	1.8
97.02933	1.4
97.06522	1.4
101.02443	2.5
113.02422	3.1
117.78848	1.1
121.36040	0.9
123.08127	1.9
125.02398	1.6
125.09692	3.0
145.02821	1.1
151.11273	2.1
153.12787	2.5
161.04575	1.2
161.09639	4.7
163.11217	3.5
165.12840	2.0
169.01460	1.6
179.10809	7.9
184.25478	1.0
197.02182	2.5
197.11838	57.6
198.12111	2.4
199.01930	2.0
209.11841	52.8
210.12070	2.0
223.09668	1.6
227.12979	5.1
241.10641	3.4
253.09189	3.6
261.29645	1.2
263.31213	1.2
459.18399	1.2
477.19308	2.5
487.34283	27.0
488.34183	4.6
489.35876	73.2
490.36328	10.4
687.31738	100.0
688.32056	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	687.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	1.5
59.01379	6.1
61.98838	4.5
68.99819	4.7
69.03464	1.5
71.01387	14.7
71.05005	1.0
72.99302	1.9
73.02937	1.4
80.02679	1.4
81.03457	1.8
83.01424	1.3
83.05036	8.2
84.02195	1.2
85.02959	3.9
87.00864	2.0
89.02458	3.1
95.05050	1.6
96.96020	4.6
97.02937	1.6
97.06571	1.9
98.20731	2.4
101.02438	4.8
107.05009	1.2
109.02917	1.1
109.06594	3.4
110.03770	1.2
111.04535	7.5
111.08163	2.1
113.02419	2.9
115.27521	0.9
117.14258	0.9
119.03491	1.3
121.02965	1.6
123.00893	1.2
123.08168	1.6
125.02485	1.3
125.06076	1.4
125.09715	4.8
135.08179	2.5
136.53246	1.0
137.09665	0.9
149.09724	0.9
151.11264	2.5
153.09195	1.5
160.68942	1.0
161.04547	1.8
161.09677	5.1
163.07620	0.9
163.11290	5.7
165.09213	0.9
165.12830	1.7
169.01375	0.9
171.10291	45.6
172.10565	1.6
177.09189	3.5
179.10771	7.2
181.12398	0.9
185.02713	1.1
185.11754	3.2
197.11813	3.6
199.09785	1.6
205.08722	11.1
207.10342	4.3
209.11850	100.0
210.12236	7.5
211.13280	2.8
213.11360	2.4
221.11847	2.6
223.09790	28.0
223.13275	1.8
224.10056	1.7
225.11348	4.3
227.12904	18.1
228.13351	1.5
235.08200	3.5
237.14870	1.0
239.12822	1.5
241.10809	3.4
241.14369	2.3
253.09300	11.0
279.12228	1.0
327.12372	1.1
367.47464	0.9
405.17621	1.3
445.20874	2.1
459.18723	4.9
461.20023	1.0
487.34058	1.4
489.35895	3.6
581.30310	1.3
633.28925	1.3
651.30231	4.2
652.29419	1.0
669.31171	7.2
670.31500	1.3
687.32391	14.7
688.32794	2.8
697.43878	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
65.71805	4.9
68.62823	4.2
69.41294	19.3
69.41712	16.6
78.95914	26.1
80.57009	5.5
80.73490	5.2
93.43439	4.8
98.19896	8.4
104.97686	4.3
152.99564	21.9
155.65201	4.4
156.92667	4.5
255.23306	23.1
293.89380	5.2
295.22827	8.2
303.09146	17.3
352.18381	4.5
419.12250	36.2
429.89389	5.2
687.24640	100.0
687.46124	10.4
688.24738	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	685.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55907	0.4
59.01377	0.8
61.98845	0.5
65.84028	0.4
67.82674	0.4
67.93501	0.5
69.63092	3.0
69.63499	1.0
71.01369	0.5
72.99301	0.4
83.05052	0.5
84.31586	0.4
84.73136	0.4
85.02952	0.5
87.00865	0.8
89.02462	0.4
97.06609	1.0
99.04526	0.6
113.06057	0.5
123.08186	0.9
149.06085	1.5
150.06882	35.0
151.07300	1.7
157.08733	0.4
162.06866	1.1
163.07664	7.3
164.08446	7.0
165.08936	0.6
171.10371	0.5
177.09196	0.8
178.09975	1.6
179.10785	19.6
180.11153	0.9
187.09666	0.5
219.36133	0.5
221.11809	0.5
229.10776	0.7
285.04166	1.1
297.20911	0.4
320.19977	1.6
335.22360	1.2
341.23239	1.0
343.21313	3.6
350.20963	1.5
351.21506	2.2
363.14026	0.6
364.22470	2.4
386.12137	0.5
441.30319	1.0
444.28830	0.8
459.31198	1.2
462.29764	2.2
477.32162	6.3
478.32501	0.7
504.31195	0.7
505.31552	2.8
513.27240	1.4
522.31915	2.0
523.32751	24.6
524.33215	4.0
685.38062	100.0
686.38373	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	685.3809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50323	0.4
57.03456	0.6
59.01376	1.2
61.98834	2.1
62.33939	0.3
68.18243	0.3
69.03500	0.4
70.31879	1.3
71.01395	0.7
73.02955	0.4
78.95921	0.4
80.35894	0.3
85.02962	1.0
87.00871	0.7
88.98809	0.7
89.02459	0.5
90.31134	0.4
96.96020	1.7
97.06586	0.8
98.19999	0.5
99.04502	0.5
101.02464	0.4
103.72282	0.4
111.08162	0.6
113.02509	0.3
116.92838	0.5
117.03449	1.4
119.05031	4.0
120.05389	0.4
121.02941	0.6
123.00857	0.5
123.08152	1.3
125.02473	2.2
133.02919	0.5
135.08168	1.0
136.05353	0.6
137.09743	0.4
141.09206	0.4
145.02985	2.9
146.03275	0.8
147.03484	0.3
149.06082	1.7
150.06880	35.8
151.00348	0.6
151.07326	1.5
155.10742	0.5
157.08638	0.4
161.09729	0.7
162.06908	0.7
163.04030	4.1
163.07651	6.0
164.08426	6.9
165.05574	0.5
165.09085	0.6
169.01424	2.4
171.10242	0.5
176.08461	0.8
177.09142	1.0
178.09990	1.6
179.10796	16.8
180.11086	0.8
187.09674	0.4
229.10931	0.8
246.22455	0.4
257.13913	0.8
285.04153	0.7
292.20645	0.5
300.99811	0.5
306.18863	0.4
307.08252	0.7
308.08545	0.6
313.20206	0.6
320.20010	1.8
321.20557	0.5
327.52472	0.4
335.22391	0.6
341.23358	1.0
343.21246	4.0
364.22559	1.4
393.08011	0.6
439.27350	0.4
441.30389	0.4
459.31235	0.8
462.29883	1.8
476.31155	0.7
477.32169	4.8
478.32813	0.6
487.34476	0.5
493.31635	0.9
504.30826	1.2
505.31750	3.0
522.31763	2.6
523.32739	22.8
524.33209	3.9
685.38098	100.0
686.38483	18.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.375
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74216	1.4
57.67353	1.4
59.01376	5.9
61.98840	30.8
67.96616	1.6
69.03472	3.2
69.25561	16.8
71.01399	6.5
73.02964	4.1
78.95912	3.1
79.28911	1.7
81.73792	1.4
83.01401	1.9
87.00881	1.9
88.98820	4.5
96.96026	35.4
96.96973	3.7
97.02986	1.5
98.20670	3.0
101.02480	2.6
107.01386	4.4
109.02971	2.1
113.02602	2.0
117.03485	3.4
119.05035	23.2
120.05341	1.7
121.02956	2.3
123.00887	5.5
125.02451	14.6
131.44711	1.5
133.03046	1.8
137.02435	4.1
138.01976	3.2
139.00352	1.7
145.02988	7.0
151.00313	3.6
151.04012	4.6
151.46925	1.6
154.99127	1.5
161.02464	1.7
163.04036	13.5
165.01947	2.1
169.01434	21.4
179.10811	2.3
181.38077	1.4
197.02226	8.2
204.65211	1.9
209.11829	3.1
232.09567	1.8
284.03314	4.0
285.04050	12.3
300.99814	2.9
343.11713	3.2
377.21811	5.4
435.13626	1.8
439.32263	3.0
473.32953	3.6
474.32938	1.7
485.32776	33.3
486.33145	7.3
487.34906	100.0
488.35464	13.5
499.96176	1.7
503.34244	2.4
685.36774	33.3
686.36499	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	685.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76784	2.2
57.50771	2.4
59.01370	8.0
60.48665	2.9
61.98837	32.2
71.01377	5.4
71.56047	2.8
71.56411	2.8
78.95900	5.9
83.05010	3.6
85.02975	5.7
88.98775	3.3
96.96036	13.5
101.02445	5.7
108.02081	2.5
109.02968	2.4
125.02436	3.7
127.72908	2.7
137.06195	2.6
143.40576	2.4
145.02985	5.0
152.99594	2.6
169.01454	5.0
171.10266	5.4
177.12779	3.6
197.02245	8.2
199.02151	2.4
209.11847	24.6
221.11865	13.2
223.13370	6.5
225.11322	4.1
227.13011	3.5
239.12946	4.6
255.23296	3.5
285.04047	4.6
307.08109	3.4
341.10147	3.3
405.31720	4.5
443.35306	11.5
444.35620	2.9
485.33087	15.0
486.32352	3.7
487.34442	100.0
488.34775	12.5
651.49567	3.1
685.37128	65.3
686.37799	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	685.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
69.35040	0.7
69.35444	1.9
71.01389	1.6
83.01395	0.4
85.02963	0.8
93.03481	0.8
96.96026	1.1
101.02435	0.7
109.02962	0.4
113.02482	0.5
117.03483	28.5
118.03815	1.0
119.05045	13.6
120.05419	0.5
121.02965	5.4
122.03742	1.0
123.00883	0.4
123.04544	0.4
125.02518	0.6
131.05029	0.4
135.04567	0.6
136.01678	0.7
139.00400	0.5
145.02971	100.0
146.03307	5.2
147.04578	0.5
149.02460	14.6
150.03249	6.9
151.03951	0.7
152.01070	0.4
153.01898	0.4
159.04532	0.7
161.06094	1.4
162.03261	0.4
163.04030	11.7
163.05424	0.6
164.04819	3.0
164.30371	0.3
165.05586	6.1
166.06372	10.6
167.07138	2.8
169.01433	0.7
175.04099	0.4
179.07140	0.6
180.04300	0.4
181.08722	3.4
185.06334	0.3
187.04028	1.3
195.06583	1.6
203.07025	0.4
205.05098	0.7
247.06107	0.8
300.99881	0.4
307.08252	59.9
308.08597	4.5
314.11606	5.2
315.12149	0.6
329.13974	10.6
330.14413	0.8
377.16202	0.9
421.12131	0.3
503.15665	9.7
504.15768	1.0
514.53082	0.3
685.25055	24.7
686.25385	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	685.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01367	1.1
61.98832	1.1
71.01389	1.9
78.95893	0.6
81.03453	0.5
82.77499	0.4
85.02953	0.9
87.00866	0.4
93.03465	1.2
95.01405	0.5
96.96015	1.6
98.20636	1.1
101.02434	0.6
101.13839	0.4
102.86521	0.4
107.01381	3.1
108.02231	0.5
109.02914	0.7
117.03474	25.5
118.03809	0.7
119.05035	12.5
120.05336	0.5
121.02962	2.7
122.03761	2.5
123.00892	3.0
123.04549	1.2
125.02425	2.7
131.05089	0.4
133.06676	0.4
134.03723	0.8
135.04550	1.0
136.01678	1.0
137.02435	0.5
145.02965	100.0
146.03296	4.9
147.04536	0.8
149.02470	3.9
150.03236	13.7
150.06886	0.4
151.00377	12.3
151.03954	1.4
152.06859	0.4
153.01917	0.5
160.01729	0.7
161.02493	0.6
161.04633	0.4
161.06073	0.9
163.02649	0.5
163.04012	12.1
164.04483	1.0
165.05589	10.5
165.06912	0.8
166.02724	43.1
167.03337	3.2
168.00658	0.6
169.01392	3.2
175.04005	1.6
177.05580	0.7
179.10701	0.4
180.04298	0.8
180.60959	0.4
181.05070	31.1
182.05428	1.6
187.03970	1.4
195.06593	2.5
205.05011	0.6
247.06049	0.6
284.03232	1.0
285.04071	3.7
299.05640	0.7
300.99963	0.9
307.08237	37.4
308.08621	2.7
314.08011	0.7
315.08383	0.5
329.10312	1.3
337.09259	1.5
347.15060	1.5
489.17798	2.0
491.18716	0.5
503.15619	52.5
504.15915	7.0
543.18842	1.6
623.13367	3.1
637.22968	4.8
638.23480	0.6
649.23492	0.9
667.24261	1.8
668.24420	0.6
672.32294	0.5
685.22699	5.1
685.37543	1.0
686.22681	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	685.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
59.01383	4.9
61.98830	7.9
63.68008	1.2
66.00192	1.3
69.26952	3.2
69.27372	9.9
71.01379	4.7
78.95898	1.9
79.79502	1.4
81.03454	1.5
85.02943	2.8
87.00882	1.5
88.98792	1.8
93.03457	2.0
96.96015	29.4
96.96977	2.3
98.19913	2.4
98.95591	4.8
101.02423	1.8
102.63308	1.3
107.00713	1.4
107.01400	3.6
109.02970	2.5
111.79526	1.2
115.48115	1.3
115.53881	1.2
117.03492	26.5
119.05049	15.6
121.02935	3.6
122.03745	1.9
123.00876	5.1
123.04530	1.9
123.08154	3.6
124.04011	1.4
125.02468	16.9
133.02905	1.9
135.04462	1.6
137.02419	2.1
145.02966	100.0
146.03294	4.7
149.02431	3.8
150.03239	13.1
150.06865	12.3
151.00406	16.8
151.04002	2.2
152.01045	1.7
153.01904	2.0
159.04507	1.6
161.02393	2.2
161.06108	2.3
162.03329	1.5
163.04019	15.3
163.07643	4.6
164.04401	1.4
164.08421	3.4
165.05586	13.7
166.02731	59.9
167.03426	6.3
169.01443	18.4
170.01764	2.0
175.03978	2.9
179.10812	3.9
181.05078	48.8
182.05389	1.4
185.59932	1.4
187.09828	9.7
195.06606	4.8
209.11899	2.1
215.12901	1.7
247.06052	1.9
281.06540	1.3
285.04080	11.7
286.04373	1.4
300.99768	5.7
307.08267	60.9
308.08624	3.0
403.12430	2.3
429.23331	1.5
484.99023	1.5
487.34116	3.9
503.15582	37.0
504.15771	4.6
505.31876	3.0
512.47003	1.3
523.21454	1.5
523.32568	3.0
623.20007	2.3
667.37097	2.4
685.21497	10.5
685.38629	36.4
686.20520	2.4
686.38422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.215
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
59.01383	4.9
61.98830	7.9
63.68008	1.2
66.00192	1.3
69.26952	3.2
69.27372	9.9
71.01379	4.7
78.95898	1.9
79.79502	1.4
81.03454	1.5
85.02943	2.8
87.00882	1.5
88.98792	1.8
93.03457	2.0
96.96015	29.4
96.96977	2.3
98.19913	2.4
98.95591	4.8
101.02423	1.8
102.63308	1.3
107.00713	1.4
107.01400	3.6
109.02970	2.5
111.79526	1.2
115.48115	1.3
115.53881	1.2
117.03492	26.5
119.05049	15.6
121.02935	3.6
122.03745	1.9
123.00876	5.1
123.04530	1.9
123.08154	3.6
124.04011	1.4
125.02468	16.9
133.02905	1.9
135.04462	1.6
137.02419	2.1
145.02966	100.0
146.03294	4.7
149.02431	3.8
150.03239	13.1
150.06865	12.3
151.00406	16.8
151.04002	2.2
152.01045	1.7
153.01904	2.0
159.04507	1.6
161.02393	2.2
161.06108	2.3
162.03329	1.5
163.04019	15.3
163.07643	4.6
164.04401	1.4
164.08421	3.4
165.05586	13.7
166.02731	59.9
167.03426	6.3
169.01443	18.4
170.01764	2.0
175.03978	2.9
179.10812	3.9
181.05078	48.8
182.05389	1.4
185.59932	1.4
187.09828	9.7
195.06606	4.8
209.11899	2.1
215.12901	1.7
247.06052	1.9
281.06540	1.3
285.04080	11.7
286.04373	1.4
300.99768	5.7
307.08267	60.9
308.08624	3.0
403.12430	2.3
429.23331	1.5
484.99023	1.5
487.34116	3.9
503.15582	37.0
504.15771	4.6
505.31876	3.0
512.47003	1.3
523.21454	1.5
523.32568	3.0
623.20007	2.3
667.37097	2.4
685.21497	10.5
685.38629	36.4
686.20520	2.4
686.38422	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80097	0.5
59.01389	0.9
61.98846	0.9
63.85981	0.4
67.96129	0.4
69.53821	1.5
69.54246	1.7
70.33096	0.4
71.01397	1.5
72.05869	0.4
73.02956	0.5
76.60620	0.4
85.02951	0.8
87.00867	0.7
90.75572	0.4
93.03468	1.1
95.01431	0.9
96.96021	2.2
101.02453	0.9
107.01395	3.3
117.03478	26.1
118.03816	1.0
119.05038	12.6
120.05345	0.6
121.02953	2.1
122.03738	1.8
123.00889	3.0
123.04499	0.8
125.02451	1.6
136.01685	0.7
137.02461	0.7
145.02966	100.0
146.03294	4.4
147.04474	0.5
149.02443	2.4
150.03239	12.7
150.06850	0.5
151.00392	16.2
151.03957	1.4
159.04449	0.6
161.06120	1.4
162.03239	0.6
163.04028	12.0
165.05577	11.6
166.02727	61.1
167.03484	5.8
169.01399	1.4
173.40868	0.5
177.05576	0.9
181.05078	47.7
182.05380	1.9
187.03961	1.1
195.06606	3.9
202.74384	0.4
205.05112	1.0
210.38789	0.6
217.04845	0.4
229.89873	0.5
247.06076	1.0
275.81119	0.5
285.03900	0.8
286.04416	0.6
307.08240	62.3
308.08682	3.8
329.10471	0.5
503.15613	45.0
504.15860	5.5
523.33002	0.6
535.08881	0.5
573.26019	0.5
595.12573	0.6
685.21375	9.4
685.37866	1.7
686.21527	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	685.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73920	0.4
55.01859	0.4
57.03423	0.6
59.01393	1.2
61.98833	1.2
69.35928	3.8
71.01392	2.2
71.69551	0.5
73.02954	0.5
78.95902	0.5
85.02956	1.1
93.03468	1.0
96.96016	1.7
101.02464	1.2
107.01401	3.0
108.02260	0.6
109.02958	0.5
111.00893	0.6
113.02464	1.4
117.03484	27.6
118.03734	0.5
119.05044	14.7
120.05376	0.6
121.02976	2.4
122.03745	2.0
123.00896	3.4
123.04536	1.2
125.02470	3.1
132.02158	0.7
134.03748	0.6
135.04506	0.4
136.01707	0.9
137.02454	1.3
145.02971	100.0
146.03314	4.7
147.04556	0.6
149.02451	4.1
149.06100	0.5
150.03241	11.7
150.06894	0.8
151.00386	14.0
151.03935	1.7
152.00804	0.7
153.01906	0.5
159.04568	0.8
160.01740	0.7
161.02480	0.6
161.04700	0.5
161.06122	1.2
162.03238	0.8
163.04016	13.1
164.04643	0.6
165.05594	11.1
165.06909	0.8
166.02734	48.7
167.03462	3.4
169.01411	2.8
175.03998	1.2
177.05557	0.9
180.04306	1.2
181.05089	32.1
182.05424	1.1
187.04083	1.0
189.29060	0.4
195.06624	3.0
205.05066	0.5
247.06105	0.6
284.03391	1.2
285.04132	3.5
299.05621	0.8
300.99878	1.0
307.08249	40.4
308.08661	2.9
314.08093	0.7
329.10455	1.4
330.64169	0.5
337.09174	2.4
347.14969	1.6
377.16022	0.8
404.00168	0.5
474.56360	0.5
489.17923	1.7
493.04837	0.4
502.20520	0.5
503.15628	55.0
504.15802	7.2
543.18835	1.4
594.06567	0.5
623.13074	3.4
636.59552	0.5
637.23077	4.5
638.22943	0.6
649.23499	1.7
667.24377	1.5
685.22327	4.9
685.38153	1.0
686.22473	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28637	1.9
55.01879	3.9
57.03453	10.1
59.01384	22.4
67.01900	4.1
68.99803	2.0
69.03444	11.4
71.01393	24.1
71.55178	2.0
71.55553	2.3
72.99316	3.9
73.02946	15.3
74.17382	2.3
81.03483	2.6
83.01380	12.5
85.02960	92.2
86.03283	3.2
87.00884	100.0
88.27071	2.1
95.01393	22.3
97.02962	32.0
103.04008	9.4
109.02959	5.9
111.00901	25.5
113.02448	44.0
115.00379	16.7
118.75278	2.1
124.53246	2.3
127.04021	8.4
129.01941	3.7
139.00400	25.7
155.03529	5.4
157.01430	32.7
158.01636	2.8
163.06180	3.3
173.04521	6.7
175.02502	51.6
175.03992	4.0
184.49193	2.2
198.25320	2.1
199.02449	6.8
217.03555	40.8
230.02101	2.3
247.02382	2.5
259.04520	6.5
269.61447	2.3
285.06015	4.5
303.07324	24.0
321.08258	8.5
345.08304	22.3
363.09128	4.9
372.80115	2.4
453.87451	2.2
479.10214	3.4
521.11548	20.4
581.13763	14.0
625.16534	4.5
667.17230	18.4
685.18420	44.8
686.18555	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	683.4015
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.5
59.01389	4.8
59.69701	0.8
61.98835	1.7
69.03443	1.0
71.01392	5.1
73.02929	1.5
81.03481	0.8
83.05038	0.9
85.02950	1.9
87.00877	1.7
89.02455	1.5
95.01367	0.9
95.05031	1.4
97.06605	15.6
101.02456	4.3
113.02440	1.9
123.08177	9.2
125.09737	81.7
126.10061	2.1
143.10751	1.2
145.05063	1.0
161.04556	1.6
169.08659	2.2
187.09772	35.4
188.10028	1.8
229.04532	0.8
233.22186	0.8
235.08292	2.7
241.40669	0.8
253.09265	3.2
275.20282	0.9
277.21744	41.0
278.22107	4.2
349.72281	0.8
405.17981	4.8
405.22397	0.7
423.18713	6.1
424.18854	1.1
683.40143	100.0
684.40424	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	683.358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	6.9
61.98838	2.0
66.37241	1.4
69.41026	1.5
71.01390	2.7
71.57519	2.4
82.48257	1.6
83.26525	1.7
91.42216	1.6
96.96019	1.8
145.02911	2.6
146.56105	1.5
165.79387	1.5
171.10297	27.1
173.00945	4.3
221.15431	2.9
233.15497	2.9
235.08157	3.3
253.09303	2.8
268.09650	1.5
293.21289	9.3
300.99908	5.2
387.25156	4.7
388.45966	1.8
391.30420	1.8
396.11469	1.5
405.26364	3.4
406.69366	1.6
409.31000	5.0
421.30856	2.2
441.33676	2.4
485.32761	100.0
486.33112	16.1
524.68463	1.5
623.34369	12.8
633.35095	1.7
647.36334	2.0
683.35565	28.6
684.36060	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	683.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98839	2.6
69.24884	1.4
69.92616	1.2
71.57546	1.9
73.47548	1.2
101.99915	1.3
115.77228	1.4
136.27934	1.3
171.10213	2.2
194.92877	2.0
219.49521	1.5
230.60187	1.7
338.87222	1.3
399.92624	1.7
409.30920	4.1
483.31342	3.8
485.32745	100.0
486.33160	16.4
641.26373	2.7
647.36896	2.1
683.25226	2.2
683.35846	27.4
683.46771	2.9
684.35919	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	683.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42825	0.7
52.08558	0.8
57.03453	5.0
59.01377	6.1
59.83611	0.8
61.98830	2.0
71.01405	4.7
76.55548	0.9
77.63367	0.9
78.95903	1.4
83.05048	1.5
89.02456	3.3
95.05047	1.6
97.06602	12.4
101.02439	3.1
113.02440	2.2
119.03516	1.1
123.08183	7.2
125.09742	100.0
125.49902	1.0
126.10051	4.0
126.39254	0.9
143.10779	1.6
152.40738	0.8
152.99577	1.0
161.04585	0.8
169.08746	2.8
180.72749	0.9
187.09796	67.7
188.10091	3.3
253.09267	1.3
277.21747	12.7
278.22055	1.1
377.89130	0.8
405.17786	4.9
423.13535	1.6
423.18808	19.1
424.18878	1.5
508.36533	0.9
683.40143	89.4
684.40521	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07277	0.6
59.01352	1.1
61.98836	7.1
92.65247	0.8
96.96014	2.4
98.19844	1.1
108.54324	0.6
110.39944	0.7
125.02441	0.9
130.57565	0.6
160.22891	0.7
169.01346	1.3
197.02223	8.0
229.31004	0.7
285.04080	0.9
375.13385	0.7
391.29971	2.8
439.32263	5.7
440.32379	1.3
441.34064	1.1
483.30914	1.1
485.32770	100.0
486.33133	13.8
683.35828	27.7
684.36621	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	683.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26926	0.4
59.01382	0.7
61.98839	3.7
70.29849	1.7
71.01382	0.4
78.95885	0.5
89.34932	0.4
96.96020	1.5
105.26525	0.4
110.29488	0.4
117.51074	0.4
126.39258	0.4
128.17897	0.5
132.48076	0.4
197.02252	6.0
209.11833	0.5
221.11745	0.5
268.01315	0.4
301.00162	0.4
360.37137	0.5
437.30853	1.8
438.31317	0.5
455.31683	5.9
456.32101	1.0
483.30817	0.8
485.32751	100.0
486.33069	14.9
667.66821	0.5
683.35730	13.0
684.36328	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	683.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.2
61.98834	26.6
69.24746	10.0
69.25167	6.4
69.32904	1.6
71.01389	4.9
72.99345	2.0
73.02960	4.3
77.40193	1.6
85.02944	2.3
85.47898	1.5
88.98828	6.1
89.02395	1.9
96.96017	11.5
98.68841	1.7
98.95584	1.8
111.04583	1.7
113.02431	2.5
119.05035	3.4
121.02960	2.2
122.06139	4.2
123.00835	1.9
125.02450	10.4
137.09729	2.1
141.09230	2.8
151.00427	2.2
169.01462	13.5
197.02232	8.4
221.07314	1.8
241.16328	1.7
285.04111	2.9
300.99945	3.2
402.08151	1.8
439.32339	5.7
485.32770	100.0
486.32938	16.1
574.75464	2.4
603.40985	2.5
613.26239	3.1
629.38959	4.2
645.28442	5.9
647.29303	4.0
647.39801	3.7
651.20288	2.1
683.36554	19.8
684.36047	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	683.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41689	0.5
57.03450	0.7
59.01377	1.6
61.98831	1.5
66.66653	0.5
71.01374	0.6
71.18606	0.6
73.02949	1.7
96.96021	1.8
110.73818	0.6
114.42909	0.5
122.29152	0.6
123.00923	0.7
125.02409	1.2
155.43274	0.5
169.01440	1.2
173.84468	0.6
181.12358	0.6
197.02225	4.7
203.44130	0.5
255.15945	3.1
258.81140	0.6
312.48199	0.6
321.20706	0.8
379.29752	1.1
391.30148	1.9
401.28442	0.8
409.25858	0.6
409.31149	10.4
410.31525	1.7
419.29822	0.5
421.31104	3.9
439.32147	16.5
440.32449	2.1
441.33600	1.8
455.31638	1.9
473.32751	100.0
474.33115	15.0
475.33203	0.8
485.32492	1.8
517.31818	3.1
521.30591	0.7
624.86365	0.6
683.35681	11.7
684.36249	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	1.0
57.47764	0.6
59.01379	0.8
60.51005	0.6
61.98829	2.0
71.01392	1.5
73.02966	4.2
73.45495	0.6
91.98937	0.7
96.95995	1.5
101.02432	0.7
119.05041	16.1
123.00829	0.7
125.02448	1.5
138.46141	0.6
151.03902	0.6
163.04025	12.0
169.01494	1.0
197.02249	5.6
220.22163	0.7
249.12158	0.7
255.16025	2.4
301.00015	0.7
375.27399	0.9
407.29562	4.3
419.29971	0.6
439.32446	1.3
485.32770	100.0
486.33136	15.3
539.67603	0.8
568.16510	0.6
683.25458	0.7
683.35876	18.0
684.36346	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	683.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.0
61.98826	5.9
70.30640	1.2
71.01364	1.3
88.78014	1.2
95.96886	1.4
96.96025	9.5
121.02930	2.1
121.38833	1.2
125.02468	2.2
141.09216	3.1
169.01395	2.4
197.02263	8.9
198.44426	1.2
210.73705	1.3
327.49106	1.2
336.40002	1.8
439.32333	10.1
440.32352	1.8
485.32748	100.0
486.33154	15.0
629.39026	2.9
645.27521	1.6
647.39313	1.6
683.35657	21.5
684.35907	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24174	0.4
57.03434	1.5
59.01384	1.9
59.99781	0.4
61.98841	4.0
65.78619	0.4
71.01388	1.1
71.57750	0.4
72.99343	0.3
73.02952	3.8
78.95908	0.4
87.00902	0.5
88.98810	1.4
89.02422	0.5
96.96024	2.9
101.02453	0.9
107.01344	0.5
113.02457	0.7
119.05032	12.0
120.05358	0.4
123.00850	0.6
124.01688	0.5
125.02436	2.2
137.02408	0.8
139.00386	0.6
145.02946	1.0
151.00337	0.5
152.03577	0.5
161.02435	0.7
163.02756	0.6
163.04028	8.8
165.05563	0.5
169.01392	3.0
197.02235	6.1
226.92583	0.4
255.15939	2.8
256.16660	0.4
285.04071	1.3
300.99863	1.1
334.46124	0.4
375.27182	0.9
389.28409	0.9
391.17654	0.6
392.27280	0.7
407.29596	3.7
408.29791	0.6
439.32233	1.0
483.31351	0.4
485.32742	100.0
486.33099	14.7
623.37030	0.4
683.25421	0.7
683.35901	17.6
684.36139	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	679.407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41225	0.2
59.01385	32.9
60.01728	0.3
61.98834	6.9
82.50124	0.2
84.67736	0.2
96.96017	0.6
98.19839	0.4
105.21983	0.2
137.59088	0.2
145.02930	0.2
148.09930	0.2
190.91667	0.2
191.05603	0.3
276.35025	0.2
285.04147	0.3
487.34311	100.0
488.34637	14.3
619.38318	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91365	1.4
53.90261	1.4
56.70535	1.2
59.92373	1.4
61.98835	100.0
97.96857	1.7
98.19880	4.7
185.11757	2.8
229.18852	1.7
277.21777	1.6
333.71356	1.5
596.92731	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	682.382
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15038	0.2
59.01384	2.6
60.01726	0.2
61.98836	100.0
64.36263	0.2
71.01390	0.3
71.57515	0.2
75.50982	0.2
78.95896	0.2
88.98837	0.2
89.02482	0.2
90.30492	0.2
96.95979	1.2
101.02496	0.3
119.05055	0.3
125.02470	0.7
134.69980	0.2
137.11168	0.2
140.01202	0.2
151.94781	0.2
152.37164	0.2
169.01434	0.9
197.02290	0.3
199.13460	0.2
209.11868	1.1
211.13406	1.6
227.12897	0.3
258.36551	0.2
269.04633	0.4
279.06879	0.2
483.31519	0.5
484.31812	0.6
485.32748	1.9
487.34540	0.4
488.34692	1.6
489.34973	2.4
490.35388	2.6
503.34329	0.6
614.78717	0.2
646.29858	0.2
650.33154	0.3
682.35815	0.7
683.35095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73802	0.2
59.01385	2.7
61.01810	0.4
61.98836	100.0
62.98550	0.3
71.01389	0.4
71.27728	0.2
71.56169	0.3
73.02981	0.3
75.00894	0.3
78.95935	0.2
83.05016	0.3
96.96017	0.9
97.85194	0.2
111.85202	0.2
121.65592	0.2
125.02467	0.2
127.04091	0.3
139.07669	0.2
151.28802	0.2
153.45285	0.2
165.05612	0.2
174.09755	0.2
209.16710	0.2
281.68509	0.2
301.00168	0.2
485.33176	0.4
487.34406	0.5
488.34671	2.0
489.34912	2.3
490.35294	2.5
621.38922	0.2
646.39252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	14.7
61.98838	100.0
70.02464	2.5
70.97430	4.5
71.01385	5.0
77.69205	2.4
96.96018	7.2
99.16612	2.3
100.84025	3.0
104.73662	2.9
105.70187	2.4
110.07930	2.5
122.06142	2.9
125.02436	7.3
145.02953	3.6
152.07211	5.7
169.01410	11.1
191.27312	2.7
197.11847	51.8
201.17662	2.5
209.11827	80.1
210.12143	6.4
227.12973	15.5
239.11804	2.6
253.09369	8.0
285.04047	3.7
433.20825	3.3
445.20441	6.0
479.37170	6.4
541.21411	2.6
609.23102	3.5
618.47235	6.2
619.47107	5.8
647.18713	7.7
679.11835	3.5
679.29858	20.8
680.31055	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	679.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26882	0.2
54.83581	0.2
59.01386	40.1
60.01724	0.3
61.98838	1.1
97.50683	0.3
97.94987	0.2
103.11348	0.2
109.53572	0.2
125.02460	0.3
129.76979	0.2
171.41277	0.2
188.36079	0.2
191.05711	0.2
197.11864	0.7
207.47417	0.3
209.11882	0.6
243.28069	0.3
405.28366	0.3
421.31161	0.9
433.20880	0.3
439.28189	0.4
453.84607	0.3
457.33536	0.4
467.31760	0.5
485.32532	0.7
487.34314	100.0
488.34668	15.7
619.38586	4.3
620.38916	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33085	0.1
59.01385	2.5
61.98833	8.9
65.08464	0.1
67.01894	0.3
69.03465	1.3
70.49309	0.1
71.01385	0.6
72.99338	0.2
74.38507	0.2
79.01914	0.5
81.03465	0.6
83.01400	0.3
85.02978	0.3
87.00893	0.2
88.92194	0.1
91.42540	0.1
93.03462	2.4
95.01393	0.7
96.96021	1.4
96.96961	0.2
97.02962	1.3
98.20751	0.3
101.02468	0.2
107.01395	8.1
111.00909	0.2
113.02422	0.2
119.05029	0.3
123.00887	1.6
124.01684	0.4
125.02456	54.3
126.02812	1.2
132.25819	0.1
135.04547	0.1
139.00421	0.3
141.01907	0.2
145.02939	0.2
151.00377	0.5
163.03963	0.2
169.01437	100.0
170.01788	2.9
187.21532	0.2
211.02557	0.2
213.05623	1.2
229.61946	0.2
285.04041	0.4
292.86896	0.2
300.99658	0.2
325.51508	0.2
358.02396	0.2
371.11316	0.2
457.28058	0.2
481.29321	0.2
485.32922	0.2
486.33261	0.6
487.34265	6.3
492.21603	0.2
493.21655	0.2
509.10971	2.0
510.10919	0.4
527.12000	1.2
540.26605	0.2
616.27960	0.2
679.13257	1.5
680.13086	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	14.6
61.98837	100.0
71.56711	1.3
71.57077	1.3
87.74834	0.9
94.89121	0.9
96.96009	3.3
120.08232	7.5
122.06148	13.0
124.07687	1.4
125.02451	4.0
134.06105	1.3
136.07663	1.1
144.04503	1.3
169.01450	5.1
172.03787	1.0
224.85803	0.9
233.11598	1.2
237.10201	1.5
251.11847	7.8
263.08395	2.0
263.11761	1.0
264.08981	1.1
266.10583	1.5
273.80338	1.1
277.09937	6.1
278.10623	2.8
279.11319	1.4
291.11469	8.7
292.12149	9.9
293.12915	7.4
295.10944	1.4
300.99908	2.3
324.11258	1.5
335.10382	3.1
336.11090	4.0
337.11871	3.0
374.18808	4.0
416.19580	5.9
417.20526	2.0
420.19382	2.4
421.01337	1.0
460.18811	7.4
461.19617	4.5
479.37140	1.6
487.34317	38.2
492.21494	33.6
493.21518	4.9
539.26886	5.6
583.25623	20.1
584.25867	2.0
615.28296	31.6
616.28668	5.4
619.38367	1.5
679.13147	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	677.496
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02973	0.3
59.01383	0.4
61.98840	0.4
65.49935	0.1
65.64314	0.1
69.03465	0.2
69.53250	1.1
69.53644	0.3
69.73158	0.2
71.01384	0.5
78.81744	0.2
78.95930	0.2
80.05085	0.2
81.03468	7.8
83.05035	17.9
84.05358	0.4
94.11227	0.2
95.01440	0.2
96.96030	1.6
98.19890	0.3
100.07686	0.3
101.02440	0.3
107.01424	0.3
107.06152	0.4
108.04579	0.8
109.02923	0.2
113.02406	0.2
122.06093	0.2
123.00918	0.4
125.02467	1.9
125.07240	1.2
126.05648	0.2
129.05655	0.2
136.01564	0.2
137.02448	0.4
139.00392	0.2
143.08281	0.5
151.00441	0.2
163.00398	0.3
164.09427	0.2
165.01970	0.5
165.05649	0.2
168.15092	0.2
168.34702	0.2
169.01434	1.9
170.01900	0.2
175.02559	0.2
175.04021	0.4
177.01927	0.2
180.04385	0.3
186.15962	0.2
191.03394	0.3
193.01369	0.2
195.06627	0.5
207.15018	1.4
210.05421	0.3
219.03046	0.3
220.04170	0.1
222.16086	0.2
224.17662	2.5
225.07687	0.7
225.16104	12.8
226.16476	0.7
229.01384	0.2
242.18735	0.9
245.00780	0.2
247.02481	0.5
257.00873	0.2
268.03802	0.3
269.04678	0.4
273.00452	0.3
275.01929	0.2
285.04068	0.8
291.20853	0.2
299.99365	0.3
300.99969	1.4
302.00238	0.3
309.22021	0.9
324.26630	0.5
333.23019	0.9
341.29266	1.2
351.24200	0.4
367.27197	1.0
377.21521	0.2
385.28210	0.3
433.31778	1.4
434.32407	0.2
439.04211	0.4
450.34473	1.9
451.32898	6.8
452.33167	0.7
461.03604	0.5
476.32037	0.2
515.21271	0.5
525.12689	0.2
550.43616	0.7
559.39655	0.4
565.44421	0.4
593.01953	0.2
593.43970	0.6
659.48572	1.4
677.49731	100.0
678.50055	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	677.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41532	4.0
55.63548	3.9
59.01389	5.1
61.98827	6.1
68.61369	4.3
69.48679	14.8
69.49113	17.6
100.23003	5.1
141.23808	5.5
145.02974	24.2
166.97479	5.1
201.02100	4.9
211.13399	100.0
212.13763	6.6
253.18320	5.6
300.99915	14.1
447.22397	13.9
677.33771	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	677.2951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.90209	7.5
57.13160	7.7
58.42441	7.7
59.01385	16.9
61.03469	8.7
61.98837	100.0
79.43328	7.6
88.09058	8.3
96.96023	16.4
99.00916	8.2
101.02473	14.0
112.42487	7.9
125.02506	11.9
169.01445	11.7
197.11818	56.9
207.10347	26.1
211.13382	16.3
220.14214	9.6
225.11469	10.7
226.11635	8.4
233.11630	13.5
274.64618	8.1
300.99902	16.0
387.21475	10.6
479.37433	31.9
485.32764	25.4
503.33694	17.8
623.30280	44.5
641.32397	28.5
677.29901	12.3
677.40143	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21629	5.8
59.01390	12.9
61.98840	26.5
70.70873	10.4
71.01356	5.6
75.00873	5.5
92.96812	5.3
96.96008	11.1
106.51306	5.4
127.70432	5.9
211.13402	100.0
212.13675	10.0
300.99863	14.5
345.58813	6.1
417.34689	7.2
447.22299	22.1
479.37344	8.9
623.34198	31.7
641.35028	15.3
677.33551	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	675.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.7
57.03453	1.5
58.00601	2.1
59.01387	49.3
61.98841	0.6
65.21977	0.4
68.99834	0.7
69.03468	2.6
70.70921	0.7
71.01390	43.5
72.01726	0.4
72.99319	3.4
73.02953	7.0
75.00880	1.1
78.95914	0.4
81.03471	1.7
83.01396	5.4
83.05034	0.8
85.02959	9.4
86.00080	0.4
87.00884	9.7
87.04540	0.4
89.02454	39.6
90.02771	0.4
91.04047	0.9
95.01387	3.4
97.02958	8.2
99.00881	2.4
99.04526	0.6
101.02457	35.5
102.02807	0.8
103.00411	0.3
103.04020	0.6
109.02985	1.1
111.00933	0.7
111.04531	1.3
112.01667	0.5
113.02464	16.6
115.04023	1.1
119.03516	12.8
119.04187	0.3
121.02965	0.8
123.04578	0.4
124.01686	0.5
125.02461	14.7
126.02856	0.4
127.04028	0.8
131.03554	1.7
133.05078	1.0
139.04047	1.4
141.01959	0.7
143.03513	6.9
149.04573	1.3
151.04050	0.5
161.04570	8.3
167.03555	0.6
169.05098	0.9
171.02991	0.4
179.05630	6.8
181.05006	0.5
185.04611	0.7
203.05678	0.6
217.07137	0.8
219.05081	0.4
221.06642	2.4
233.22820	0.5
235.08255	16.0
236.08630	0.5
244.00261	0.4
245.06680	1.0
253.09276	3.2
259.20551	0.4
263.07788	1.3
275.20309	0.7
277.09402	1.5
277.21741	100.0
278.22070	7.7
287.07825	4.1
291.23413	0.4
305.08798	4.1
323.09827	2.2
361.11505	0.6
379.12662	0.8
397.13519	84.1
398.13849	5.3
415.14606	37.6
415.20383	0.7
416.14862	2.7
469.33194	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.36
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.0
57.03457	1.9
58.00591	2.4
58.40664	0.4
59.01387	57.7
60.01734	0.5
62.49895	0.3
68.99818	1.0
69.03468	2.0
69.43387	1.0
69.43810	1.6
71.01390	40.2
72.01735	0.4
72.99318	2.3
73.02957	7.4
75.00870	0.7
81.03458	2.1
83.01395	5.5
83.05042	0.7
85.02960	8.9
85.03474	0.6
86.00148	0.5
87.00887	10.1
89.02456	39.4
90.02836	0.5
91.04038	0.9
93.03469	0.7
95.01392	2.9
97.02959	6.6
99.00897	2.4
99.04587	0.4
101.02454	33.9
102.02810	0.8
103.00347	0.5
103.04021	0.5
109.02959	0.8
111.04552	1.6
113.02461	18.8
114.02808	0.7
115.04037	0.7
119.03518	12.3
121.02953	0.5
124.01685	0.5
125.02463	13.8
127.04055	0.6
127.07626	0.4
129.01984	0.5
131.03510	1.9
133.05078	1.5
135.04384	0.4
137.02458	0.4
139.04008	1.5
141.01994	0.5
142.02675	0.3
143.03523	6.3
149.04558	0.8
157.05081	0.4
159.86426	0.3
161.04576	8.3
167.03459	0.8
169.05104	0.7
171.03114	0.5
179.05634	7.5
185.04565	1.1
199.06137	0.9
203.05659	0.8
217.07143	1.1
219.05011	0.4
221.06693	2.9
233.22798	0.5
235.08246	15.4
236.08615	0.6
245.06807	0.8
253.09323	3.5
256.70148	0.4
263.07733	1.9
275.20126	0.6
277.09485	1.1
277.21741	100.0
278.22092	8.1
287.07828	3.3
305.08783	3.9
323.10056	1.8
361.11496	0.7
379.12442	0.9
397.13535	86.5
398.13889	6.7
415.14609	34.9
416.14737	2.8
467.82303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65688	5.5
51.35128	6.4
59.01390	42.1
61.98833	60.2
69.52504	6.7
71.01394	15.0
78.95898	9.2
81.47154	6.0
82.03074	7.2
83.05042	8.3
89.02473	10.9
94.49300	6.6
94.52872	6.2
96.96007	44.0
98.19902	13.1
99.00874	7.5
101.02460	12.8
113.02516	8.3
145.02907	9.1
148.44090	7.8
163.11351	13.0
169.12305	7.3
171.10324	61.9
172.10593	7.6
179.78619	7.5
194.78468	6.7
197.11873	100.0
207.10265	27.6
209.11865	92.2
210.12248	19.7
211.13446	22.5
225.11324	8.8
227.12914	23.3
235.08296	8.9
253.09245	23.6
300.99796	9.6
357.08575	8.5
421.96204	8.0
458.58084	7.1
471.34875	26.8
472.35059	32.4
498.35962	9.5
615.29352	13.0
621.32806	17.0
639.33350	13.4
675.32794	22.0
680.40405	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	675.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55286	0.6
59.01400	0.8
60.55149	0.5
67.01881	1.3
69.03480	1.3
69.45338	4.3
71.01375	3.5
79.01877	1.1
79.07587	0.6
81.03461	1.0
83.01400	0.8
84.73807	0.5
85.02950	1.9
91.80692	0.6
93.03450	1.0
95.01396	1.9
96.96022	4.0
97.02946	1.4
101.02444	1.6
107.01402	10.2
109.02979	2.7
111.00878	2.3
113.02448	1.4
121.02965	3.5
122.03742	2.0
123.00904	13.9
124.01644	2.1
125.02460	48.7
126.02787	1.0
127.00394	0.8
136.98796	1.6
137.02457	1.1
138.03262	0.8
139.00383	5.3
139.03973	1.3
140.01189	3.5
141.01938	1.8
147.04529	1.6
149.02419	0.8
150.03168	0.5
151.00366	8.8
153.01926	2.5
155.10855	1.4
165.05574	4.7
167.03560	0.8
168.00630	4.4
169.01447	63.9
170.01775	1.7
179.03403	0.7
179.07100	2.5
182.02190	0.6
183.02968	4.1
199.09731	1.9
200.84630	0.6
211.02403	1.5
225.04111	0.6
240.34894	0.6
241.03773	1.0
241.10962	0.8
253.03595	0.9
262.31329	0.7
297.06122	1.9
300.99869	1.7
313.05673	14.8
314.06155	0.7
327.07108	1.3
336.27664	0.7
346.14233	1.3
347.15005	5.1
361.16678	5.3
362.16940	0.9
513.15710	2.7
610.10150	0.7
675.22986	100.0
676.12500	1.3
676.23340	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	675.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.9
61.98831	6.3
65.02097	1.6
69.38729	4.2
69.39144	9.2
71.01380	6.0
78.95906	1.9
79.49697	1.5
83.01392	2.5
85.02946	1.9
88.98792	4.4
89.02437	2.5
95.01392	1.9
96.96021	14.2
97.06566	1.5
99.54379	1.5
101.02425	2.8
106.06624	2.3
107.01431	9.0
108.02170	2.2
109.02958	3.5
111.00887	5.4
112.98657	1.6
113.80235	1.6
119.05068	2.2
121.02945	3.7
122.06168	2.2
123.00903	14.4
124.01598	1.7
125.02465	29.3
127.00333	1.8
127.99024	1.5
133.02943	12.2
137.02451	2.6
138.01991	14.0
138.03049	2.4
139.00385	4.5
140.01131	4.6
141.01938	2.5
145.02936	2.8
149.02415	3.3
150.03224	5.0
150.05611	1.8
150.06831	1.6
151.00368	12.5
151.03984	2.5
152.07178	2.1
153.01942	2.8
161.02475	2.4
163.04021	3.6
165.05608	6.7
166.02621	1.8
166.99850	2.1
168.00667	4.5
169.01433	33.8
175.04012	5.4
183.13982	5.3
186.12834	1.8
201.05568	3.7
211.02428	2.0
217.05043	2.3
227.12898	14.8
241.05106	2.7
271.04468	2.4
273.14893	1.8
275.02054	1.7
285.04095	100.0
286.04437	8.2
299.99091	5.6
300.27847	1.7
300.99939	21.3
307.04526	2.7
327.25473	1.8
338.08630	1.9
361.12885	5.6
389.17807	2.4
477.11569	3.9
485.07855	2.1
512.36987	2.0
523.18127	1.6
671.43250	1.8
675.10876	2.5
675.23279	10.6
675.36005	81.2
676.36267	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	675.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.8
59.01368	2.4
61.98824	2.4
66.99744	0.5
67.01900	1.1
68.99523	0.7
69.03473	1.3
71.01382	3.4
71.57623	0.8
72.99340	0.9
73.02955	0.8
74.65166	0.6
78.69451	0.5
79.01891	1.2
81.03481	1.1
83.01392	1.3
85.02958	1.8
87.00902	0.6
95.01393	1.8
96.96028	5.1
97.02960	1.5
99.00899	0.5
101.02438	1.9
107.01396	9.9
107.05000	0.6
109.02948	1.3
111.00920	3.7
113.02470	0.8
121.03042	0.6
122.06128	0.9
123.00898	12.3
124.01643	2.3
125.02460	39.5
127.00377	0.7
136.01627	0.9
136.98831	1.8
137.02466	1.9
137.09750	0.8
139.00372	5.4
140.01158	4.3
141.01910	1.4
145.02931	0.8
147.04552	0.7
151.00372	8.2
151.03987	1.3
152.07193	0.8
153.01959	2.1
161.02596	0.7
163.03998	1.4
165.01959	1.1
165.05515	0.8
166.99866	0.9
167.03511	0.7
168.00670	7.2
169.01439	46.8
170.01759	1.4
175.04018	0.9
179.03476	0.9
193.05017	0.7
209.15559	0.7
211.02513	1.7
237.04031	1.2
275.02008	0.8
281.06552	0.7
295.04602	1.2
299.98917	0.7
300.99826	2.6
313.05649	1.5
385.03043	0.7
423.61273	0.6
458.03217	0.7
505.20639	7.5
523.22052	12.3
524.22083	2.4
545.29956	0.9
582.58484	0.6
657.35236	0.7
675.23022	100.0
676.23169	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	675.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.4
58.64738	0.4
59.01391	4.1
64.36290	0.4
71.01401	2.6
71.12879	0.6
85.02956	6.2
87.00885	1.3
88.30918	0.4
89.02473	1.8
93.03445	1.9
95.01398	0.5
101.02483	0.8
107.01421	0.4
109.02930	0.5
111.04522	0.7
113.02454	0.9
114.23808	0.4
119.03520	0.8
123.00895	4.2
125.02456	5.2
127.04016	1.8
129.68275	0.4
139.00372	0.8
139.78430	0.4
148.40366	0.4
151.00378	4.3
168.00664	1.1
169.01447	14.9
170.01755	0.6
171.03032	0.5
173.04526	1.2
191.05626	100.0
192.05927	2.7
211.02451	3.2
225.06244	0.5
271.04642	2.7
331.06729	33.2
332.07074	2.5
343.06693	31.5
344.07025	2.2
355.87796	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.9
61.98831	6.3
65.02097	1.6
69.38729	4.2
69.39144	9.2
71.01380	6.0
78.95906	1.9
79.49697	1.5
83.01392	2.5
85.02946	1.9
88.98792	4.4
89.02437	2.5
95.01392	1.9
96.96021	14.2
97.06566	1.5
99.54379	1.5
101.02425	2.8
106.06624	2.3
107.01431	9.0
108.02170	2.2
109.02958	3.5
111.00887	5.4
112.98657	1.6
113.80235	1.6
119.05068	2.2
121.02945	3.7
122.06168	2.2
123.00903	14.4
124.01598	1.7
125.02465	29.3
127.00333	1.8
127.99024	1.5
133.02943	12.2
137.02451	2.6
138.01991	14.0
138.03049	2.4
139.00385	4.5
140.01131	4.6
141.01938	2.5
145.02936	2.8
149.02415	3.3
150.03224	5.0
150.05611	1.8
150.06831	1.6
151.00368	12.5
151.03984	2.5
152.07178	2.1
153.01942	2.8
161.02475	2.4
163.04021	3.6
165.05608	6.7
166.02621	1.8
166.99850	2.1
168.00667	4.5
169.01433	33.8
175.04012	5.4
183.13982	5.3
186.12834	1.8
201.05568	3.7
211.02428	2.0
217.05043	2.3
227.12898	14.8
241.05106	2.7
271.04468	2.4
273.14893	1.8
275.02054	1.7
285.04095	100.0
286.04437	8.2
299.99091	5.6
300.27847	1.7
300.99939	21.3
307.04526	2.7
327.25473	1.8
338.08630	1.9
361.12885	5.6
389.17807	2.4
477.11569	3.9
485.07855	2.1
512.36987	2.0
523.18127	1.6
671.43250	1.8
675.10876	2.5
675.23279	10.6
675.36005	81.2
676.36267	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	673.3811
Annotation	TRICHODEPSIPEPTIDE B
Peak:m/z	Relative Intensity
54.42891	0.6
57.03437	0.9
59.01369	2.3
61.98832	4.4
63.84092	0.7
69.32901	6.2
71.01376	2.3
73.02930	1.0
78.79270	0.7
82.95420	1.2
85.02936	1.0
87.00912	1.0
89.02441	1.2
93.03476	1.1
96.96034	8.1
97.06608	1.0
98.19923	1.2
99.04566	0.7
101.02409	1.0
107.01386	1.7
109.02948	0.9
109.06620	0.9
111.00880	1.1
111.04523	1.0
113.02441	1.2
121.06629	0.8
122.03763	0.8
123.00874	2.2
123.04499	1.0
123.08157	1.2
124.01652	0.7
125.02459	6.8
126.85863	0.7
127.10313	0.8
135.04494	1.4
135.08197	1.2
136.05313	33.9
137.02397	2.1
137.05891	0.7
139.00356	1.2
145.02963	1.7
147.08156	1.2
149.06093	6.4
150.03230	0.7
150.06885	11.5
151.00304	1.3
151.03996	1.2
153.01903	0.8
160.03970	0.8
162.06879	0.9
163.04002	1.0
163.07637	6.5
164.08481	4.0
165.05560	1.1
165.09216	28.9
166.09502	1.4
167.03532	0.8
168.00644	1.0
169.01454	8.1
171.10214	0.9
177.09175	0.9
179.10812	5.5
195.06746	1.0
199.42668	0.8
209.11768	4.4
211.02460	1.4
227.12904	1.0
257.08051	1.0
261.00201	0.8
263.93643	0.7
271.04581	1.2
285.04102	1.1
291.40564	0.7
300.99826	2.3
343.25116	0.9
345.22736	5.2
354.78906	0.9
447.30939	1.1
450.29947	1.7
464.31540	0.9
465.32278	10.9
466.32501	1.1
477.95441	0.7
483.07788	1.1
493.31357	3.8
496.33810	1.3
503.47937	0.7
510.36591	6.5
511.16226	1.0
511.32858	21.6
512.33240	2.5
641.22394	1.5
673.19897	4.3
673.38074	100.0
674.21118	1.6
674.38269	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	673.3805
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22787	0.3
59.01387	2.1
61.98821	1.5
68.86106	0.4
69.03461	0.6
71.01395	3.0
71.57069	0.4
73.02974	0.7
78.95912	0.8
83.05045	1.1
85.02946	0.6
87.00877	0.4
88.34678	0.3
89.02447	1.3
94.40067	0.4
96.96037	0.7
101.02438	1.5
113.02462	0.5
121.02950	2.5
141.61732	0.5
145.02965	0.8
145.05078	0.5
161.04555	0.8
163.11281	0.8
167.14458	0.6
171.10289	1.2
179.05559	0.6
183.13898	5.5
184.14153	0.4
185.11850	0.5
186.29662	0.4
193.12337	1.6
199.13492	1.4
207.10274	1.4
209.11845	5.6
211.13412	100.0
212.13770	4.6
225.11351	1.4
227.12883	3.0
235.08307	1.6
253.09303	4.1
267.68857	0.4
387.25757	0.4
419.23761	0.5
429.21390	1.1
430.21979	0.4
447.22403	6.5
461.20697	0.4
463.22147	0.5
570.17590	0.5
602.16187	0.9
623.34802	0.7
641.35687	0.6
655.33716	0.7
673.36371	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	673.3439
Annotation	Unknow
Peak:m/z	Relative Intensity
56.52243	1.2
57.03451	1.7
58.00602	1.4
59.01382	10.0
61.98838	3.5
69.03458	1.5
69.44475	8.5
71.01389	45.5
71.05051	1.3
73.02953	3.5
78.95906	3.2
81.03445	2.2
83.01402	1.6
83.05035	3.9
84.02171	1.8
85.02953	2.2
87.00893	1.5
89.02439	4.5
95.01435	1.7
95.05029	1.2
96.96033	1.9
97.02942	2.4
98.20641	2.0
99.00877	3.3
101.02434	8.7
103.72581	1.1
109.06598	6.8
113.02464	5.0
119.03516	2.1
125.09750	2.5
135.08160	2.0
145.02959	3.6
145.05098	2.3
161.04564	2.2
163.11311	8.0
165.12877	3.1
171.10306	8.5
172.10616	1.3
181.12350	6.0
183.13887	11.0
185.11873	2.6
193.12358	2.9
199.13391	20.8
201.11388	6.2
207.10277	24.3
208.10475	1.1
209.11855	48.9
210.12144	3.3
211.13409	100.0
212.13780	5.1
225.11363	17.9
227.12910	55.2
228.13199	3.3
235.08220	4.7
247.13528	1.6
253.09306	11.5
265.14539	1.2
270.77255	1.2
357.23941	1.5
383.22229	1.7
391.25131	2.1
401.23291	5.3
419.24252	3.3
443.19537	2.1
447.22559	1.9
461.20355	4.8
463.21838	9.4
602.16058	2.7
635.39276	4.0
637.32135	8.0
637.41724	1.8
655.33337	9.2
656.33838	3.2
673.34277	16.1
674.34601	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	673.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.9
58.00615	1.4
59.01381	8.1
60.15142	1.0
61.98846	2.3
63.60689	1.0
69.03464	1.3
71.01389	47.2
73.02961	3.5
78.95924	2.9
80.23266	0.9
81.03478	2.2
83.01384	1.5
83.05046	4.4
85.02973	4.2
87.00878	3.3
89.02448	5.1
95.01376	1.9
95.05001	2.1
95.77404	1.0
97.02960	3.6
98.19748	2.0
99.00890	3.3
99.90141	1.0
101.02454	7.7
109.06577	6.8
110.03780	1.2
113.02467	3.9
119.03496	1.3
119.05071	1.1
121.52665	0.9
123.08167	1.1
125.02438	1.8
125.09739	1.9
129.95529	0.9
142.02669	2.1
145.05083	2.1
146.01630	1.1
152.99620	1.8
155.10721	1.3
155.14317	1.0
161.04555	2.0
161.09758	1.1
163.11299	8.6
165.12851	2.2
171.10281	8.1
179.05710	1.2
181.12363	7.0
183.13889	12.8
185.11864	1.6
190.72997	1.1
193.12315	2.5
199.09776	1.0
199.13397	21.2
200.13742	1.6
201.11397	7.5
207.10277	27.2
209.11847	55.4
210.12148	4.3
211.13414	100.0
212.13693	5.5
225.11359	19.8
227.12907	56.4
228.13293	2.6
229.14426	1.5
235.08284	5.5
243.12396	2.3
247.13414	2.5
249.14998	1.1
253.09300	15.2
265.14453	2.2
275.38983	1.1
297.57333	1.0
338.00897	1.2
343.01483	1.0
373.23813	1.6
375.25613	1.3
383.22198	3.2
391.24731	2.3
401.23245	6.2
419.24289	4.2
443.19495	1.7
445.20764	2.4
447.22498	1.9
461.20178	4.5
462.21106	1.6
463.21945	9.0
602.16547	1.5
635.39160	2.2
637.31995	6.5
638.32825	1.6
655.33276	11.0
656.33844	2.9
673.34528	19.5
674.34729	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	673.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00589	0.2
59.01380	1.7
59.89208	0.2
71.01384	1.4
71.05019	0.2
71.20795	0.3
73.02944	0.4
80.02692	1.0
81.03477	0.9
83.05038	3.9
84.02191	0.7
85.02966	0.4
85.21749	0.2
87.00861	0.4
89.02450	1.2
95.05038	0.3
101.02451	1.5
109.06651	0.3
113.02476	0.7
119.03558	0.3
125.02420	0.2
125.06068	0.3
125.09726	0.3
135.08174	0.6
143.03540	0.3
147.11795	0.3
161.04581	0.6
163.11308	3.4
165.12842	2.3
169.01474	0.2
171.10295	2.5
181.12421	0.5
185.11917	0.4
191.10837	0.8
209.11847	100.0
210.12192	5.6
221.11839	0.4
223.13527	0.2
227.12907	13.0
228.13150	0.9
235.08253	1.6
239.12689	0.2
247.13478	1.2
253.09317	5.4
254.09550	0.2
265.14389	0.4
327.92300	0.2
370.74289	0.2
419.24689	0.2
445.20810	0.7
637.32587	0.6
655.32886	0.3
673.34119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3446
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.2
59.01382	1.9
61.18933	0.1
61.98840	0.2
69.56171	0.1
71.01392	1.8
71.05040	0.2
72.99306	0.2
73.00162	0.1
73.02952	0.5
78.63844	0.1
79.31791	0.2
80.02692	1.0
81.03476	1.1
83.01385	0.5
83.05032	4.3
84.02176	0.7
85.02972	0.4
88.98820	0.6
89.02454	1.3
93.03468	0.2
95.05043	0.6
101.02454	1.6
105.92442	0.1
109.06624	0.2
113.02464	1.0
119.03532	0.3
122.06125	0.3
123.00954	0.2
125.02440	0.2
125.06108	0.6
125.09704	0.3
135.08177	0.7
143.03548	0.2
145.05087	0.2
150.06786	0.3
151.07559	0.2
152.07249	0.2
161.04694	0.7
163.11310	3.6
164.11632	0.2
165.12865	2.2
171.10280	2.4
181.12360	0.6
185.11897	0.2
191.10771	1.1
199.13435	0.5
207.10298	0.2
209.11841	100.0
210.12183	6.0
221.11824	0.3
227.12906	13.4
228.13229	0.9
235.08221	1.8
247.13397	1.1
253.09315	5.6
265.14557	0.3
349.95898	0.2
401.23538	0.4
414.54169	0.2
419.24365	0.3
437.25702	0.2
445.20755	0.6
456.59607	0.2
463.21744	0.2
470.38037	0.2
611.30688	0.3
637.31891	0.7
638.33392	0.3
641.26337	0.3
655.33472	0.2
656.33856	0.2
673.41504	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	7.5
59.72541	1.6
61.98831	1.9
71.01378	2.0
71.05334	3.8
72.67754	1.8
80.05077	12.2
85.02973	2.3
94.06632	2.7
96.96011	5.2
104.05051	4.0
106.06654	4.5
107.03774	13.0
111.32453	1.9
122.06133	82.6
123.06477	2.2
125.02502	2.3
132.04536	3.2
134.06133	18.3
135.04570	2.5
136.07704	3.1
139.02702	3.3
146.06134	2.5
148.04034	4.0
150.05627	2.2
152.07184	100.0
153.07483	4.3
160.04048	2.9
160.06367	3.5
161.04765	2.6
162.05470	1.8
174.04149	1.7
174.05586	5.8
179.10780	4.6
180.06650	3.1
186.05833	1.7
187.92343	1.7
188.07153	7.0
190.05107	1.8
199.13409	3.2
209.11816	17.3
210.12270	1.6
211.08745	4.7
213.10374	13.2
223.08641	3.2
224.09535	3.1
225.10329	8.0
226.10999	4.1
227.13057	8.3
236.09482	2.5
237.10304	5.3
239.08257	2.5
239.11917	19.9
241.13530	8.6
245.12898	8.2
250.07443	4.4
251.08240	5.1
251.11873	4.2
252.08987	4.3
253.09860	10.9
254.10550	2.1
263.08438	2.6
264.09012	2.3
265.06445	2.2
265.09790	9.9
266.10611	2.0
267.11313	5.0
277.09811	4.8
278.06943	6.8
278.10617	5.3
279.07739	8.8
279.11148	3.7
285.04227	3.3
285.12463	33.4
286.12564	2.0
293.09293	23.4
293.12967	9.2
293.15906	1.9
294.09958	8.9
295.10858	18.2
296.11328	1.7
306.09982	1.9
307.10965	9.5
311.10324	2.2
313.11877	6.1
323.10297	6.4
325.11890	5.8
332.17410	2.5
337.08282	12.0
338.08878	1.9
339.09778	4.0
340.14624	1.9
342.12305	4.1
343.13266	2.9
344.13858	1.8
355.12936	6.4
356.13675	2.2
356.17575	3.3
357.14481	3.2
358.15628	14.8
359.16275	3.7
370.11801	2.7
384.13519	5.0
385.14172	2.5
389.17566	2.0
400.16733	18.2
401.17221	1.8
412.16614	6.5
417.16998	4.1
418.17450	2.4
426.13794	1.8
431.18570	4.7
432.19424	9.2
444.15720	2.1
458.17145	2.2
459.17819	6.1
460.18878	12.9
463.17355	5.6
474.20313	6.2
475.20923	2.0
476.18268	3.7
478.19943	10.9
497.25507	4.2
503.16882	6.7
504.17801	14.2
505.17776	1.9
511.25870	4.1
518.19397	26.6
519.19458	4.6
521.25836	2.8
523.23578	12.2
524.24475	2.4
535.19458	3.2
536.20477	7.2
550.21942	45.9
551.22278	7.1
565.24530	64.0
566.24835	9.2
597.26984	7.2
598.27588	3.1
609.23578	60.7
610.23877	10.1
637.31696	1.9
641.26221	72.9
642.26324	14.9
673.28717	60.4
674.29199	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	673.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	7.5
59.31791	1.1
59.37678	1.0
61.98832	6.8
69.22010	12.1
71.01385	4.1
73.02941	1.5
78.53326	1.2
80.05061	3.9
83.05033	2.6
89.02449	2.5
93.58842	1.2
94.06634	2.1
96.96051	1.8
98.19859	2.3
101.02478	2.2
104.05103	1.9
106.06626	3.7
107.03772	6.6
113.02418	1.4
120.04536	1.6
122.06134	46.6
123.00833	1.4
123.06414	1.8
130.06706	1.5
132.04564	2.2
134.06134	11.4
136.07686	1.5
143.16615	1.3
148.04047	3.1
150.05600	1.9
152.07191	63.1
153.07486	2.5
160.04042	2.2
160.06453	1.8
163.11317	2.9
165.12782	1.5
165.60620	1.2
169.01479	1.5
171.10272	4.9
174.05580	1.9
178.67393	1.3
180.06642	3.2
185.11816	1.4
186.05566	1.8
188.07178	7.8
190.05127	1.3
199.13365	5.2
207.10211	2.8
209.11858	56.6
210.12173	3.0
211.08731	1.9
211.13509	8.3
213.10323	9.3
223.08778	1.9
225.10345	3.5
226.11098	2.4
227.12950	18.5
228.13200	1.3
235.08510	4.3
237.06566	1.4
237.10394	4.7
239.08168	1.4
239.11903	5.7
241.13380	5.6
245.12881	6.7
249.06682	1.6
249.10329	2.4
250.07535	6.7
251.08170	3.8
251.11725	1.5
252.08911	1.6
253.09566	9.3
263.08179	3.5
264.08951	2.1
265.06110	2.4
265.09833	11.8
266.10440	3.7
267.11423	4.2
269.04703	1.5
277.09830	4.0
278.06955	11.9
278.10535	3.9
279.07715	11.8
279.11337	4.6
280.12000	1.3
285.12451	17.2
291.07944	1.4
291.11133	1.4
292.08417	1.8
293.09372	42.4
293.12946	4.3
294.10098	15.1
295.10873	16.2
296.11554	1.9
305.09610	1.3
306.10162	6.8
307.10944	6.7
308.11514	1.5
309.12442	4.2
311.10382	1.6
313.11908	2.5
319.07245	1.6
323.10406	6.1
325.11963	1.3
337.08319	31.5
338.08789	4.8
350.09137	2.1
351.09915	1.8
355.13095	2.5
358.15619	4.6
370.11823	1.5
382.15646	1.2
400.16577	6.7
401.17468	2.0
412.16751	2.6
416.15961	1.5
417.16510	1.7
430.13669	3.0
431.18689	3.0
432.19302	2.2
442.17407	2.0
444.15649	5.1
458.17166	3.2
459.18170	8.4
460.19031	8.6
461.19339	2.2
462.16852	3.1
463.16754	1.4
474.20407	11.0
475.20987	1.4
476.18283	2.9
497.25458	1.5
503.17126	9.6
504.17682	17.4
505.18073	2.6
518.19379	72.3
519.19568	11.1
523.23340	1.7
535.19550	4.6
536.20190	3.5
550.22003	100.0
551.22473	14.5
565.24646	40.1
566.24988	9.0
597.26959	5.3
598.27380	1.4
609.23639	22.5
610.23969	4.7
641.26276	72.2
642.26611	13.0
655.33099	1.8
673.28284	13.8
674.28711	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	673.2887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45017	0.9
58.03995	0.9
58.62304	0.9
59.01385	3.8
61.98834	4.1
70.86832	2.0
71.01390	2.9
81.03458	1.1
83.05035	4.1
84.02203	1.4
89.02459	1.6
90.54703	0.8
94.06635	3.8
96.96063	1.2
98.20493	1.1
101.02468	2.1
106.06629	1.3
107.03795	6.8
109.06625	1.1
113.02489	1.4
119.62374	0.9
121.44523	0.9
122.06141	39.9
123.06516	1.2
124.07668	1.8
125.02440	1.4
125.06110	0.8
128.50458	0.9
134.06145	4.5
139.02815	2.2
150.05647	2.2
150.06799	0.9
152.07193	58.1
153.07545	1.6
161.04584	1.2
163.11276	3.8
165.12836	2.5
171.10263	4.1
177.09209	1.0
185.11795	1.1
199.13364	2.8
207.10330	1.8
208.10085	1.3
209.11853	100.0
210.12254	5.7
211.13422	3.6
223.12463	3.5
225.11299	2.1
227.12910	19.7
228.13206	1.8
235.08412	3.0
236.09648	1.8
237.10333	2.3
248.09663	1.9
249.06717	0.9
249.10330	4.0
250.10777	1.3
251.11917	7.6
253.09306	6.9
256.92191	1.2
263.08316	3.2
263.11880	1.8
264.09024	3.3
265.09811	1.3
277.09756	3.5
278.10669	9.0
279.11383	8.9
281.09244	2.4
291.11285	1.7
295.10809	2.6
307.10907	1.7
309.12442	3.9
310.13257	16.0
311.13510	2.1
322.13306	1.2
342.12482	1.0
354.12122	2.1
398.14511	1.5
400.16479	2.9
412.16525	1.2
413.17313	2.3
415.19141	1.7
416.20068	1.4
432.19321	1.2
442.17996	2.6
442.24792	1.0
443.18594	5.4
444.19339	2.2
446.17221	1.2
460.19290	1.3
463.21567	1.1
474.20367	4.0
475.20996	6.6
496.75842	1.2
518.19238	3.5
519.20148	56.5
520.20569	8.5
550.21948	3.1
551.22125	1.8
565.24323	4.4
566.25092	1.2
597.27222	6.7
609.23462	2.2
637.32483	3.3
641.26233	52.5
642.26611	9.3
655.33038	1.8
673.28052	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	673.2882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.5
70.69888	3.3
75.04581	1.0
80.05064	8.0
80.52522	1.0
94.06633	3.8
97.36882	1.1
104.05083	3.0
106.06638	4.7
107.03789	8.3
120.04535	2.6
120.08192	1.4
121.05369	1.7
122.06129	48.2
128.04471	1.1
132.04581	2.3
134.06139	12.9
136.07680	1.5
139.02742	2.4
142.07036	1.0
148.03964	2.7
150.05626	1.1
152.07188	63.4
160.04018	3.3
160.06415	2.9
160.07645	1.7
169.01436	1.2
173.04839	1.4
174.05597	4.4
180.06757	1.5
188.07193	7.2
209.11847	3.9
211.08850	2.0
213.10298	13.5
225.10312	5.5
226.11168	2.8
227.12805	1.4
235.08693	1.5
237.10318	3.9
239.11905	13.4
241.13501	8.9
245.12930	8.4
249.10349	2.6
250.07559	3.2
251.08156	4.0
251.11902	3.5
252.08990	2.2
253.09792	6.2
263.08255	2.3
265.06030	1.5
265.09808	8.2
267.11441	5.3
269.13168	1.2
277.09781	2.8
278.07059	5.0
278.10593	3.7
279.07779	6.9
279.11115	2.4
280.08615	1.3
285.12451	31.0
286.12711	2.2
286.60724	1.4
293.09341	17.0
293.12997	7.7
294.10199	6.5
295.10870	16.4
296.11371	1.6
306.10226	2.9
307.10770	6.4
309.12405	3.5
313.11963	3.9
321.08905	1.6
323.10400	7.6
325.12024	1.9
328.11005	1.4
337.08344	13.7
339.09720	1.8
355.13165	2.9
356.17706	1.4
357.14728	2.1
358.15540	9.4
359.16003	1.9
370.11838	2.5
384.13354	3.3
398.15280	1.7
400.16656	11.1
401.17188	2.4
412.16534	4.3
432.19385	3.5
444.15778	2.8
458.17261	2.4
459.17810	5.0
460.18625	8.4
462.16785	1.5
463.17471	1.9
474.20468	7.8
475.21384	1.3
476.18500	4.6
486.16327	2.3
503.17062	4.4
504.17819	21.3
505.18106	3.2
518.19385	26.4
519.19800	5.4
523.23425	4.8
527.79816	1.3
536.20587	3.8
550.21979	33.5
551.22430	5.7
565.24561	77.7
566.24957	13.7
597.27203	9.6
598.27448	2.4
609.23547	44.7
610.23956	10.2
641.26196	100.0
642.26538	19.8
673.28601	15.8
674.29510	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	673.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	1.4
59.01389	10.0
61.98815	4.0
65.79843	1.2
69.33544	13.7
69.44506	1.4
71.01378	5.8
73.02959	1.7
77.71986	1.2
80.05070	10.3
83.05029	2.5
85.02949	2.8
89.02443	3.8
94.06613	5.0
96.96025	8.3
98.19914	2.3
101.02418	5.1
104.05045	5.6
106.06618	6.0
107.03780	10.9
113.02433	2.7
117.83716	1.4
119.05042	2.1
120.04530	3.0
121.02929	3.0
121.05322	2.2
122.06138	78.7
123.00840	2.6
123.06464	1.8
125.02426	3.6
132.04575	2.4
134.06134	20.4
135.04556	2.1
136.07654	3.9
137.02480	1.6
138.01918	1.4
139.02800	2.3
145.02991	1.8
146.06056	1.6
148.04027	4.8
149.45992	1.5
150.05580	4.0
152.07185	100.0
153.07504	3.5
160.03996	2.8
160.06407	3.4
161.04602	3.3
162.05576	1.7
163.03963	2.0
163.11314	2.0
164.07086	1.5
165.01894	3.4
169.01492	8.1
174.05528	6.3
177.09166	2.9
179.10799	8.5
180.06601	1.8
188.07239	8.3
190.05092	2.9
195.53719	1.6
199.13509	6.8
209.09895	2.4
209.11858	46.8
210.12105	3.7
211.08618	4.4
213.10376	12.9
223.08801	2.8
224.09467	3.0
225.10327	7.3
227.12982	24.3
228.13347	1.7
235.08659	3.2
237.10229	3.7
237.14815	1.5
239.08243	3.2
239.11934	23.9
241.13542	11.0
245.12999	10.9
249.06665	2.7
249.10184	2.1
250.07407	5.6
251.08192	4.8
251.11787	4.7
252.09018	3.2
253.09654	13.3
263.08252	3.3
265.09802	11.9
266.10440	4.5
267.11353	6.9
269.12842	2.1
271.04648	1.6
277.09714	3.2
278.06903	7.0
278.10474	5.2
279.07639	10.4
279.11182	4.1
280.08301	2.4
285.03949	5.5
285.12482	38.2
286.12698	2.0
291.07718	2.0
293.09232	24.2
293.12875	8.1
294.10056	9.3
295.10901	26.9
296.11215	2.2
300.99878	4.2
305.15854	1.4
306.10165	2.6
307.10825	7.5
309.12436	3.5
313.11890	5.4
323.10428	10.0
325.11847	4.9
328.11035	1.8
332.17484	2.4
337.08273	12.7
338.08862	3.3
339.09756	3.4
340.14648	1.8
342.12344	2.6
343.13144	3.4
344.14203	2.2
347.26657	1.7
355.12802	4.4
356.13574	1.8
356.17581	3.5
357.14725	3.5
358.15695	15.5
359.15884	1.9
370.11798	2.8
384.13144	5.3
385.14047	1.7
393.31805	1.5
399.15735	1.8
400.16745	18.9
401.17004	2.2
404.15829	1.7
412.16498	5.6
417.16870	3.2
418.17517	1.8
419.18710	3.1
419.23944	1.9
423.73117	1.6
432.19373	8.7
433.19040	2.1
458.16824	2.9
459.17923	6.9
460.18692	11.6
462.16821	2.9
463.17249	8.6
473.28525	1.6
474.20605	8.7
475.19510	2.8
475.33771	3.3
476.18344	2.4
477.18518	1.9
478.19705	8.5
486.16907	2.2
497.25275	4.2
503.16574	5.5
504.17932	16.8
511.25180	8.1
511.36374	2.5
518.19342	30.4
519.19611	5.3
521.25574	3.3
523.23566	11.0
535.19794	3.9
536.20355	10.3
545.56116	1.7
550.21973	48.6
551.22650	7.4
565.24615	67.4
566.24792	9.2
568.22827	3.8
597.27435	9.3
609.23566	58.0
610.24060	9.8
641.26215	77.2
642.26520	13.5
673.28546	61.6
674.29059	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	673.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90906	0.5
54.08820	0.4
54.09186	0.5
59.01390	1.0
62.44802	0.6
62.75732	0.5
65.00326	0.7
67.01913	1.2
69.03467	1.0
71.01404	2.8
71.02037	1.2
72.99335	0.6
73.95310	0.5
74.64192	0.5
75.98732	0.5
79.01888	0.8
80.62148	0.5
81.03482	0.6
83.01401	1.2
85.02985	1.2
85.62081	0.4
95.01402	2.5
96.96059	0.7
97.02967	1.3
99.17281	0.6
101.02447	1.8
107.01404	12.9
111.00898	2.5
111.35171	0.5
113.02465	1.1
117.28326	0.5
121.02969	1.5
123.00912	11.7
124.01657	2.3
125.02461	57.0
126.02796	1.6
136.98831	1.7
137.02512	0.8
138.03268	0.5
139.00385	5.2
139.04015	1.2
139.59135	0.7
140.01176	4.2
141.01955	1.4
141.47284	0.5
144.73898	0.5
147.04501	0.6
149.02405	0.7
151.00377	8.0
153.01990	0.7
166.99931	0.7
168.00665	3.8
169.01440	72.5
170.01761	2.3
175.07735	1.0
183.02989	3.1
184.20470	0.6
211.02513	1.6
211.06258	0.6
223.02429	0.7
241.03493	0.9
253.03497	0.8
269.08188	3.7
281.08197	0.9
283.09766	2.3
297.06088	1.1
299.09283	1.6
300.10037	1.0
301.00122	0.5
311.09299	2.4
312.10138	0.9
313.05679	19.0
313.09351	1.0
313.16299	0.5
314.06079	0.9
314.11499	4.3
315.12308	2.7
325.11041	0.6
326.11548	2.9
327.07220	1.5
329.13998	4.9
673.21399	100.0
674.21741	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	671.4016
Annotation	Guineamide D
Peak:m/z	Relative Intensity
55.80358	0.6
57.03426	0.7
59.01393	0.8
61.98825	1.5
65.61565	0.5
69.23763	5.2
71.01370	1.3
79.12188	0.5
85.02977	1.2
89.02455	0.8
99.04578	0.5
101.02462	0.8
109.06596	0.6
125.02450	0.6
127.11299	0.8
135.08202	0.6
137.09747	0.6
145.02927	0.7
149.06102	5.5
150.06876	36.9
151.07372	1.0
155.10770	0.8
161.09715	0.9
162.06799	0.8
163.07648	11.3
164.08453	5.6
164.47978	0.6
169.01401	0.7
176.08423	1.8
177.09206	0.8
178.09947	2.4
179.10789	10.9
207.10286	1.5
209.11787	3.0
210.12224	0.8
225.11302	1.7
227.12900	0.6
265.21649	0.9
327.25467	1.2
329.23315	5.8
445.33340	0.7
446.34082	0.7
448.31909	8.2
449.32477	1.1
450.78217	0.5
462.33478	1.4
463.34338	10.9
464.34616	1.0
471.60797	0.5
490.33005	1.7
491.33914	2.7
508.34229	2.1
509.34866	26.2
510.35010	3.8
562.33966	0.5
671.40247	100.0
672.40686	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	671.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99568	8.0
53.25378	7.9
59.01388	7.2
61.98840	8.1
69.28674	65.9
70.13922	6.6
72.93596	7.8
75.74053	6.5
78.95911	19.3
79.24260	7.1
89.24744	7.0
89.96254	6.8
96.95993	10.5
117.03519	15.1
119.05054	23.7
121.02982	61.6
129.00827	7.8
145.02980	72.5
152.99626	8.9
163.04021	12.5
184.24731	6.7
252.79027	8.8
255.23367	14.0
301.09033	7.4
308.38080	8.5
314.78156	8.6
496.33688	7.1
497.32791	23.1
589.29590	9.5
617.38416	100.0
618.38965	22.4
635.39240	60.8
635.46478	6.0
636.40338	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	671.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01375	2.6
61.98838	3.1
63.40125	0.6
65.54153	0.5
69.20713	4.9
71.01378	2.5
73.02953	0.9
75.95112	0.5
78.95880	0.9
85.02969	1.1
87.00873	1.7
88.98794	0.9
93.03416	0.7
95.01378	0.7
96.96014	6.9
96.96964	0.6
97.02955	0.7
101.02430	1.2
107.01385	1.3
108.02176	1.1
111.04541	0.8
113.02425	1.0
117.03499	0.8
119.05025	1.0
121.02960	0.8
121.06604	1.0
122.03757	1.1
123.00893	0.8
123.04559	0.7
123.08145	1.3
125.02487	3.3
125.03234	0.5
125.40045	0.6
135.04546	1.4
136.05318	27.6
137.02455	1.4
137.05782	0.6
138.01964	8.1
145.02979	2.4
146.03294	1.3
149.06094	5.6
150.06879	9.8
151.00374	1.0
151.07500	0.7
153.09129	0.6
162.06841	1.8
163.03978	1.1
163.07680	3.8
164.08426	4.3
165.01888	1.1
165.05540	1.0
165.09232	22.3
166.09518	0.9
168.00610	0.6
169.01421	4.0
175.03999	0.9
179.10788	4.9
193.01350	0.7
195.06699	0.6
209.11813	1.2
213.07913	0.7
229.10783	1.0
270.99170	0.6
285.04089	2.7
286.04257	0.9
299.99106	2.0
301.00049	4.4
302.00037	0.9
303.00476	0.6
303.05026	0.7
306.18381	1.6
321.20718	2.5
343.21234	4.9
350.21030	3.7
351.21432	0.7
427.28391	1.9
445.29401	1.7
463.30673	6.5
473.86218	0.7
491.30017	3.4
507.21997	0.7
508.30060	1.9
509.30597	22.6
510.31161	3.2
639.20447	1.2
671.36536	100.0
672.36816	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	671.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01375	2.6
61.98838	3.1
63.40125	0.6
65.54153	0.5
69.20713	4.9
71.01378	2.5
73.02953	0.9
75.95112	0.5
78.95880	0.9
85.02969	1.1
87.00873	1.7
88.98794	0.9
93.03416	0.7
95.01378	0.7
96.96014	6.9
96.96964	0.6
97.02955	0.7
101.02430	1.2
107.01385	1.3
108.02176	1.1
111.04541	0.8
113.02425	1.0
117.03499	0.8
119.05025	1.0
121.02960	0.8
121.06604	1.0
122.03757	1.1
123.00893	0.8
123.04559	0.7
123.08145	1.3
125.02487	3.3
125.03234	0.5
125.40045	0.6
135.04546	1.4
136.05318	27.6
137.02455	1.4
137.05782	0.6
138.01964	8.1
145.02979	2.4
146.03294	1.3
149.06094	5.6
150.06879	9.8
151.00374	1.0
151.07500	0.7
153.09129	0.6
162.06841	1.8
163.03978	1.1
163.07680	3.8
164.08426	4.3
165.01888	1.1
165.05540	1.0
165.09232	22.3
166.09518	0.9
168.00610	0.6
169.01421	4.0
175.03999	0.9
179.10788	4.9
193.01350	0.7
195.06699	0.6
209.11813	1.2
213.07913	0.7
229.10783	1.0
270.99170	0.6
285.04089	2.7
286.04257	0.9
299.99106	2.0
301.00049	4.4
302.00037	0.9
303.00476	0.6
303.05026	0.7
306.18381	1.6
321.20718	2.5
343.21234	4.9
350.21030	3.7
351.21432	0.7
427.28391	1.9
445.29401	1.7
463.30673	6.5
473.86218	0.7
491.30017	3.4
507.21997	0.7
508.30060	1.9
509.30597	22.6
510.31161	3.2
639.20447	1.2
671.36536	100.0
672.36816	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	671.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09332	0.7
55.01896	0.9
57.03474	0.9
59.01386	11.5
61.98843	0.8
62.20761	0.6
65.85374	0.7
70.31438	2.2
70.31799	0.8
70.83481	0.7
71.01392	6.4
71.08272	0.7
73.02966	1.9
80.02689	2.2
81.03468	3.9
83.01398	1.2
83.05041	8.6
84.02180	1.7
84.53574	0.6
85.02967	2.8
87.00888	1.4
89.02444	4.1
93.03462	1.3
95.01398	0.8
95.05042	1.2
97.02957	7.1
97.06609	1.6
99.00883	1.1
101.02438	5.9
109.06602	27.6
110.03742	1.3
110.06931	1.2
113.02457	2.0
119.03533	1.3
121.06616	1.4
122.25055	0.7
123.08241	0.8
125.02467	0.9
125.09743	1.7
135.08147	3.8
136.05154	0.7
142.02730	1.5
151.07738	0.8
161.04581	1.9
161.09731	1.7
163.11311	19.6
165.12837	4.2
171.10294	3.1
179.10782	1.0
181.12422	4.4
185.11903	1.9
187.09850	1.0
189.09270	1.5
191.10782	1.4
207.10286	63.9
208.10651	3.3
209.11847	100.0
210.12218	5.3
213.09563	0.8
223.13316	0.9
225.11340	29.6
226.11667	1.6
227.12907	13.9
231.10176	1.1
235.08286	3.0
238.93860	0.6
245.11780	0.8
247.13527	2.1
249.11293	2.0
253.09319	11.2
263.12860	1.2
265.14465	1.4
299.14706	1.0
333.20163	0.7
352.34027	0.7
356.46710	0.7
373.23788	1.0
381.20966	0.9
388.72394	0.8
389.23340	1.2
399.21753	7.2
400.22430	1.1
407.24622	0.7
417.22794	6.5
435.23712	1.0
443.19159	2.7
445.21005	1.0
461.20435	12.3
473.36331	3.1
627.29553	1.3
635.30750	10.8
636.31207	1.6
653.31879	13.5
654.32190	1.9
671.32794	27.1
672.32941	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	671.2682
Annotation	Kamalachalcone A
Peak:m/z	Relative Intensity
54.83716	5.2
58.40191	5.3
66.23299	5.8
67.47330	5.4
68.15986	5.9
68.73714	5.0
70.56947	7.6
74.96416	7.5
78.95911	18.3
98.19987	6.9
117.99109	5.7
147.40921	4.8
152.99590	20.1
156.37436	5.0
222.71992	6.0
255.23260	9.7
279.23038	7.6
345.80475	5.6
375.09811	5.8
391.22592	6.8
401.78433	6.3
523.17719	7.0
671.26752	100.0
672.27350	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.273
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.4
61.98835	7.9
62.32581	0.4
70.28368	0.4
71.01376	1.0
75.54409	0.4
76.07979	0.4
82.33445	0.5
83.01382	0.8
89.02496	0.5
96.96021	0.8
101.02457	0.6
109.06607	0.9
111.04546	0.5
113.02504	0.5
122.06115	1.5
122.23462	0.4
125.02470	0.7
132.04559	0.8
137.06096	0.5
152.07173	2.3
158.02536	1.0
163.11230	0.9
169.01479	1.4
171.10364	0.5
186.43462	0.4
190.05104	1.4
198.09247	2.2
207.10294	2.5
209.11861	5.6
211.13428	0.8
212.05957	0.7
213.06638	0.6
223.08763	0.5
225.06783	0.7
225.11359	3.3
226.07472	2.4
227.12881	1.0
228.09029	3.4
239.11920	12.2
241.09840	75.5
242.10229	4.2
243.11404	1.7
253.09419	0.6
255.11411	1.2
256.12186	43.6
257.12402	2.8
273.99152	0.5
300.11169	9.5
315.13531	100.0
316.13852	8.7
330.16263	0.9
343.11859	1.6
355.12967	7.2
356.13458	0.8
392.92560	0.5
461.20221	0.7
462.40613	0.5
509.34872	0.6
563.23364	1.3
595.25629	2.8
611.34705	0.6
635.30298	0.8
653.31842	0.8
671.33453	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	671.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
61.98824	2.5
62.09181	2.6
81.66573	2.3
96.96043	2.7
98.20696	3.5
103.34086	2.1
107.01405	6.1
123.00864	6.6
125.02457	71.3
126.02863	2.6
137.02513	3.3
143.03491	3.4
151.00412	4.1
152.04761	2.2
168.00635	4.4
169.01448	100.0
170.01781	6.4
172.05954	2.5
193.01410	4.0
211.02443	6.5
258.44547	2.4
271.04544	5.1
290.51630	2.5
300.99908	3.5
313.05695	26.4
423.05679	3.1
440.04706	4.8
447.09378	3.2
465.07010	7.4
483.07977	5.4
635.08905	88.7
636.09369	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	671.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93148	2.7
55.31922	2.5
59.01381	4.5
69.50648	17.3
71.01408	4.2
89.35406	2.7
92.90007	2.4
95.38772	2.5
107.01402	5.4
109.93658	2.9
123.00909	6.8
125.02464	53.9
127.00340	3.3
169.01434	82.6
193.01471	5.7
209.11301	2.9
211.02548	5.1
293.33115	2.6
295.04932	4.0
297.06418	4.4
300.99829	4.3
313.05807	29.7
394.25854	2.6
465.06793	100.0
466.07025	12.4
508.17242	2.7
635.09052	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	669.3862
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.7
61.98838	100.0
65.07240	0.5
70.08351	0.5
71.01401	1.9
71.28790	0.6
73.02971	0.9
76.71238	0.5
78.95919	0.7
83.01426	0.5
85.02963	1.1
87.00897	0.7
88.98834	0.9
93.32035	0.6
96.96037	1.6
101.02495	0.8
107.01357	0.6
117.03456	3.1
119.05058	1.5
123.00907	1.2
125.02471	3.2
125.09698	0.6
136.05327	0.6
145.02998	7.0
148.56349	0.6
149.06104	1.1
150.06885	22.6
150.08051	1.2
151.00458	1.0
163.04048	1.1
163.07646	4.1
164.08440	5.3
165.36949	0.6
169.01477	4.8
171.10321	2.2
177.09212	0.7
179.10806	11.8
201.16481	0.6
207.10229	0.8
225.11426	0.8
268.03711	0.7
269.04587	3.8
327.21817	8.0
328.22104	1.2
363.22479	0.7
364.22647	0.7
471.31421	1.9
487.33923	1.2
489.32538	2.6
506.32751	2.0
507.33224	13.8
508.33810	2.0
607.20874	1.7
650.46997	0.7
669.21075	1.7
669.38885	45.2
670.39319	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	669.3825
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.98837	100.0
68.71911	0.1
69.28544	1.3
71.01403	0.3
78.95967	0.2
88.98833	0.3
89.02457	0.3
96.96033	1.3
96.96983	0.1
101.02433	0.2
107.01414	0.2
113.02426	0.2
119.05094	0.2
119.57622	0.2
121.02967	0.2
123.00932	0.3
125.02444	0.8
138.01956	0.2
145.02911	0.2
147.04453	0.2
150.06926	0.3
151.00426	0.2
161.02438	0.2
163.04053	0.2
166.02782	0.3
169.01476	1.1
225.11400	0.3
247.41386	0.2
269.04651	0.3
285.03961	0.2
315.60513	0.1
341.22620	0.2
471.31531	0.3
507.33569	0.5
575.20490	0.2
605.53528	0.2
627.65784	0.2
669.29395	0.3
669.39008	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3865
Annotation	Ajugasalicioside F
Peak:m/z	Relative Intensity
57.03470	0.7
59.01382	1.5
60.04786	0.3
61.98840	3.6
67.38175	0.3
71.01385	1.2
73.02960	0.5
74.99092	0.3
75.00909	0.3
78.95930	0.6
83.01425	0.4
83.05045	0.4
85.02982	0.9
87.00885	0.7
88.98830	0.7
89.02448	0.6
96.96025	1.5
99.04533	0.8
101.02472	1.0
109.06599	0.4
111.08118	0.3
113.02473	0.7
116.92860	0.5
121.06618	0.5
123.00916	0.6
123.04414	0.4
125.02467	1.7
125.09766	0.7
135.08180	0.5
136.05371	0.6
137.06116	0.4
139.00267	0.3
145.02931	0.4
149.06104	5.0
150.06879	45.8
151.07211	1.6
155.10754	0.4
157.08682	0.6
159.04587	0.3
161.02348	0.5
161.09753	0.8
162.06839	0.5
163.07663	10.0
164.08437	8.2
165.09026	0.3
169.01440	2.2
169.12343	0.5
171.10301	1.5
176.08418	1.0
177.09163	0.8
178.10020	2.7
179.10793	17.5
180.11169	1.0
186.85257	0.3
187.41998	0.3
207.10225	0.5
209.11815	0.6
211.02432	0.4
212.97583	0.3
216.09563	0.3
225.11223	0.4
263.20410	0.4
281.21286	0.7
325.23798	1.0
327.21805	9.9
328.22049	0.9
364.22287	0.5
428.29489	1.0
443.31512	1.0
446.30472	6.4
447.30988	0.8
460.32062	1.1
461.32806	7.5
462.33231	1.1
488.31467	1.2
489.32300	3.5
490.32474	0.6
492.30902	0.4
506.32645	4.1
507.33264	29.5
508.33728	3.8
521.35291	0.3
541.35962	0.3
549.34436	0.8
568.26544	0.4
601.23920	0.3
633.28864	0.3
669.38678	100.0
670.39050	16.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.9
61.98845	6.6
70.79092	0.7
70.79459	2.4
71.01402	2.9
78.95923	2.3
81.03486	1.0
83.01380	0.8
85.02956	1.1
89.02460	1.3
96.20842	0.8
96.96027	1.6
101.02436	1.4
107.01432	0.9
109.06597	2.6
113.02495	0.8
121.02945	1.0
123.00741	1.0
125.02443	2.6
125.04179	0.9
125.09737	1.2
131.64487	0.9
163.11337	1.5
169.01454	3.2
171.00534	0.8
174.27655	0.8
175.11212	0.9
185.11800	0.9
189.64503	0.8
197.02240	7.2
206.69395	0.8
207.10309	4.9
209.11827	3.4
211.13467	1.8
223.13431	0.9
225.11304	3.5
227.12872	1.0
253.09296	1.7
263.83215	0.9
299.99335	0.8
300.99887	1.9
301.23209	0.9
341.10443	1.0
397.20404	0.9
415.21365	1.7
457.33264	2.6
469.33508	4.8
470.33820	0.9
471.34872	100.0
472.35141	13.3
487.34491	2.2
489.35800	8.9
490.36182	1.2
607.27606	1.2
625.28418	3.7
651.30273	4.9
652.30658	1.0
669.38818	17.6
670.37128	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	669.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
59.22829	0.8
61.98838	5.2
63.41080	0.8
64.62096	0.8
70.57504	2.6
71.01356	1.4
78.95901	1.1
96.96028	1.4
101.02420	0.9
115.47311	0.9
121.02975	1.1
125.02466	1.0
169.01500	1.6
184.83539	0.8
185.23984	0.9
197.02240	9.8
199.13425	1.0
202.41359	0.8
207.10233	1.0
209.11867	3.5
211.13445	1.2
223.13342	2.1
225.11249	1.0
227.12823	1.6
234.33456	0.9
237.23203	0.9
281.01758	0.9
300.99927	1.8
459.88129	1.1
469.33224	2.4
471.34851	100.0
472.35291	12.8
487.34338	5.0
488.34146	1.4
489.35358	1.3
669.38110	24.5
670.38544	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	669.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
58.91355	0.7
59.01395	4.9
61.98828	2.3
69.03471	2.2
71.01398	5.2
71.57514	0.9
73.02954	1.1
80.02677	1.0
80.69876	0.8
81.03484	1.2
83.01357	0.9
83.05022	4.6
85.02950	1.1
87.00858	1.0
89.02427	2.9
97.14584	0.9
101.02434	2.5
109.06583	1.1
113.02448	2.5
121.02959	1.1
138.07178	0.9
161.04533	1.4
163.11288	4.7
165.12820	2.4
167.10782	1.7
171.10255	2.4
179.05450	0.8
179.10762	1.3
179.14423	2.5
191.10847	1.1
195.13948	7.8
197.02220	6.0
205.12337	7.5
209.11855	100.0
210.12263	5.5
211.13356	1.0
223.13414	83.5
224.13791	4.3
227.12883	15.0
228.13283	1.1
235.08260	2.9
239.17319	0.9
253.09299	9.4
261.14957	2.2
445.20731	1.5
452.86151	1.1
459.22345	6.8
469.33292	1.6
471.34851	63.0
472.35342	7.4
633.32788	1.1
651.33545	1.1
669.38135	12.9
670.37927	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38407	1.0
54.83095	1.0
56.75277	0.9
57.28264	1.0
59.01400	1.0
61.98824	2.5
69.50320	6.8
69.50726	1.8
76.69575	1.0
78.95900	2.2
91.18511	1.0
117.03473	17.1
117.09692	1.0
119.05029	14.2
119.10166	0.8
121.02965	1.3
145.02966	66.0
146.03282	1.5
152.99547	1.2
157.20906	1.0
163.04015	7.6
171.10252	4.8
172.10596	2.1
277.21823	2.9
279.19305	1.2
284.05661	1.1
300.99725	1.6
315.53049	1.2
425.30417	1.2
506.90292	1.1
513.32458	3.5
556.72766	1.1
633.37976	100.0
634.38367	18.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18385	0.7
69.39130	2.4
69.39565	3.0
78.95921	0.9
82.61646	0.7
117.02657	1.3
117.03476	19.0
118.03763	0.6
119.05029	3.5
133.17892	0.7
145.02971	100.0
146.03384	4.3
163.04062	2.5
203.87657	0.7
255.23351	0.7
321.58551	0.8
469.33221	1.0
513.32361	0.9
587.07477	0.8
633.37988	86.9
634.38312	17.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96413	1.7
75.94335	1.1
78.95914	49.4
89.56551	1.2
94.93639	2.6
98.19899	3.5
125.44775	1.3
141.04602	1.1
149.00105	26.8
181.21204	1.1
194.98885	48.0
205.15979	20.4
206.16493	1.4
217.20049	1.3
255.23291	1.2
285.12582	3.7
350.67368	1.3
355.16797	7.7
371.14896	1.4
372.71338	1.2
401.15579	100.0
402.15976	7.5
429.57309	1.4
463.11047	2.3
490.48282	1.3
657.52588	1.2
669.27917	89.0
670.27887	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09911	0.4
57.03485	0.6
59.01388	4.4
61.98828	1.9
69.03474	1.4
69.39995	2.8
71.01387	3.2
71.05030	0.6
72.66401	0.3
73.02962	0.6
78.95934	0.4
80.02701	1.0
81.03481	1.2
83.01387	0.7
83.05043	5.3
84.02193	0.9
85.02968	0.9
87.00908	0.5
89.02469	2.1
91.14385	0.3
93.03485	0.6
95.05051	0.8
96.96048	0.7
97.02981	0.4
101.02468	2.4
105.30333	0.4
109.06631	0.4
113.02485	1.7
119.03493	0.6
121.02991	0.6
125.02468	0.7
125.06096	0.6
125.09766	0.4
135.08176	0.7
145.05202	0.4
161.04575	1.4
163.11320	3.4
165.01920	0.5
165.12891	2.3
167.10773	1.5
171.10336	2.0
176.57019	0.4
179.10843	0.6
179.14444	1.6
181.12405	0.5
191.10797	1.4
195.13954	5.2
197.02409	0.4
205.12357	5.4
209.11852	100.0
210.12161	5.0
211.13354	0.8
221.11961	0.4
223.13416	54.1
224.13763	2.8
227.12901	14.4
228.13165	0.5
235.08298	2.3
253.09299	8.3
261.14972	1.6
301.15930	0.4
312.93912	0.5
346.19443	0.3
375.60480	0.4
441.20859	0.6
445.21008	2.0
445.26205	0.4
457.33536	2.1
459.22516	3.7
469.32932	1.4
471.35461	2.1
633.32770	0.6
641.25507	0.4
651.33307	1.0
669.38525	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94781	0.4
51.38996	0.3
59.01407	0.7
61.98836	0.4
69.56252	1.9
71.01380	2.0
73.02950	0.4
84.39754	0.3
85.02966	1.1
93.03479	0.9
96.96034	0.9
101.02450	0.8
108.02174	0.4
109.02967	2.8
111.04514	0.4
113.02486	0.7
117.03483	25.7
118.03822	0.8
119.05041	15.6
121.02981	6.8
122.03753	7.6
123.04572	1.7
124.01634	0.5
129.03450	0.8
134.03708	0.4
135.04556	0.9
136.05305	0.7
137.02457	1.8
145.02971	100.0
146.03278	3.6
147.04564	3.8
149.06125	0.7
150.06828	0.7
154.02698	0.8
159.04536	0.8
160.05350	0.4
161.06068	2.1
163.04028	12.8
163.07655	0.3
164.04471	0.5
165.05592	13.1
168.48653	0.4
169.01450	0.5
173.06119	0.5
175.03979	0.6
179.07164	4.1
179.10667	0.5
187.04036	1.3
223.10017	0.6
247.06230	0.6
298.12045	0.5
300.99924	1.5
307.08261	62.6
308.08612	4.0
313.14764	0.6
315.12479	1.2
346.14142	4.6
347.14999	7.9
348.15216	0.8
361.16608	23.2
362.16827	2.1
410.44308	0.4
669.25549	31.8
670.25916	5.6
695.46576	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.2565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	2.5
61.98833	4.4
63.50928	0.6
71.01384	1.9
72.99336	1.0
77.60558	0.6
78.91886	0.7
78.95915	36.6
83.01423	1.0
85.02937	1.3
87.00885	1.1
88.98844	0.9
90.50038	0.6
93.03426	0.8
95.01411	0.9
96.41824	0.6
96.96026	7.0
96.96970	6.0
98.19873	1.6
101.02436	1.8
107.01384	1.0
109.02984	2.1
113.02456	1.4
116.92808	0.6
117.03475	10.7
119.05041	9.2
120.05418	0.7
121.02957	6.1
122.03747	3.1
123.00887	1.2
123.04530	1.1
124.01669	1.6
125.00085	0.8
125.02466	4.7
133.02985	0.8
135.04535	1.5
136.01608	0.8
136.05367	0.6
137.02463	3.9
139.02304	0.9
145.02975	53.9
146.03305	2.5
147.04533	2.3
149.06184	0.9
150.03143	0.7
150.06889	10.7
151.02289	1.3
152.99640	3.9
157.02960	1.0
160.01677	1.4
161.02411	1.0
161.05997	0.9
163.04056	8.6
163.07683	2.1
164.08469	1.2
165.01959	0.9
165.05562	7.9
167.01155	0.7
169.01431	5.6
171.00674	10.3
172.01622	1.2
173.02438	1.1
175.04008	0.8
177.09138	0.7
179.07187	2.5
179.10818	4.5
185.02492	2.5
191.03413	0.7
197.02823	0.9
199.09756	0.8
200.01192	1.8
201.01929	1.9
205.04996	0.9
213.02202	3.1
216.00604	2.8
219.03009	0.7
220.07585	0.6
228.00658	1.0
229.01553	4.7
242.99268	0.8
244.00134	2.4
245.00903	2.4
251.09302	0.8
257.00928	2.1
264.30023	0.7
270.98840	1.2
271.99582	1.3
273.00415	1.0
275.01993	1.6
282.99020	0.8
283.99771	3.0
285.00424	2.9
285.04059	1.1
294.11154	11.4
298.98300	1.5
299.95523	0.7
299.99142	45.5
300.99902	100.0
302.00272	8.4
307.08261	31.9
308.08560	2.6
320.19647	0.8
343.11960	0.7
346.14252	2.3
347.15186	3.2
361.16586	11.5
362.16800	1.0
374.17499	4.4
427.28983	0.8
445.04315	1.4
458.53326	0.8
462.29837	0.9
463.30417	1.0
497.28348	1.1
507.09335	4.0
625.16193	1.6
633.07465	2.2
634.07062	0.9
669.14679	29.9
669.26068	14.4
669.35016	10.4
670.14972	6.0
670.26178	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	669.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73716	0.8
59.01378	3.3
59.91496	0.7
61.98835	7.3
64.48779	0.8
67.01908	1.1
69.03480	1.2
71.01382	5.1
71.57384	1.5
72.99326	1.4
73.02947	1.5
74.69322	0.7
78.95907	2.5
79.01890	1.4
83.01358	0.9
85.02946	1.6
88.98821	1.7
89.02441	1.4
93.03474	1.3
95.01402	3.1
96.32675	0.8
96.96027	11.9
96.96971	1.5
97.02956	1.4
101.02445	1.7
103.04010	2.3
107.01413	11.8
108.02200	0.9
109.02946	1.8
111.00885	1.8
113.02467	2.6
116.92851	1.2
117.03499	1.4
120.08210	1.8
121.02983	10.0
122.06113	2.5
123.00101	1.4
123.00906	13.6
124.01756	0.8
125.02463	59.8
126.02817	1.4
127.00410	0.8
135.04538	1.2
135.08231	0.8
136.01649	1.2
136.98822	1.9
137.02449	3.5
138.01994	2.8
138.03197	0.9
139.00444	5.5
139.03995	1.9
140.01178	3.9
143.03493	1.0
145.02985	6.0
149.02402	1.1
150.02994	0.8
150.06903	1.3
151.00409	7.3
151.03961	1.3
160.01659	0.9
163.03998	2.3
163.07690	0.9
165.01862	1.1
165.05594	1.0
165.31471	0.8
168.00685	4.4
169.01443	69.4
170.01776	2.0
170.31770	0.8
175.03951	1.1
176.04715	1.0
179.03571	1.5
179.10834	1.5
181.01422	1.4
182.02155	2.0
183.02980	1.6
197.04558	2.2
211.02487	1.9
269.04520	3.1
285.04199	5.3
286.04544	1.1
292.12225	1.0
293.12811	1.3
299.99225	1.8
300.99930	2.6
313.05704	19.1
340.09497	7.6
341.10352	1.9
355.11813	2.4
458.44064	1.1
507.33548	2.0
508.20840	1.2
555.52405	1.0
599.25122	2.5
610.77441	1.0
631.27692	5.6
632.27753	1.2
633.28314	1.4
637.20416	1.0
669.18256	100.0
670.18628	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.1467
Annotation	Alterporriol D
Peak:m/z	Relative Intensity
55.01886	1.2
59.01369	2.7
60.44353	0.7
60.99309	0.8
61.98823	3.5
67.01904	1.0
69.03427	0.9
71.01391	4.6
71.56819	0.8
71.98710	0.8
72.99308	1.0
74.72198	0.7
76.26637	0.7
78.95902	1.7
83.01403	4.2
85.02951	1.3
88.98806	5.1
93.03441	3.3
95.01404	1.3
96.96031	5.3
97.02937	0.9
98.95564	1.1
99.00844	1.2
101.02423	1.9
101.10255	0.7
106.04253	0.8
107.01406	11.0
108.02127	0.9
109.02947	3.4
111.00872	1.7
113.02480	1.3
113.86812	0.8
114.63620	0.7
117.03480	1.2
120.99603	0.8
121.02942	5.2
123.00895	9.6
123.04499	1.2
124.01655	1.7
125.02460	47.8
131.05020	1.2
133.02933	1.4
133.06548	1.5
135.04538	2.3
136.01602	1.2
137.02458	75.1
138.02765	2.9
139.00351	3.1
140.01134	2.0
141.01979	1.4
143.04971	1.8
145.02928	2.2
146.03694	1.9
150.03287	1.0
151.00398	7.2
153.01923	1.2
158.03830	0.8
159.04504	6.8
160.05312	5.0
161.02419	2.5
161.06096	14.8
165.05537	0.9
168.00676	2.7
169.01437	74.6
170.01741	1.4
176.04778	2.6
181.01416	2.1
189.05563	9.3
193.01471	1.0
203.24905	0.8
205.05077	4.2
211.02464	2.0
233.04553	2.7
249.29001	0.8
253.03439	0.8
269.04578	2.1
281.08228	1.9
285.04028	2.2
299.09207	2.6
299.99054	1.3
300.99860	3.0
302.00439	0.9
311.09213	3.6
313.05661	41.4
314.06061	2.7
355.08224	16.6
412.61148	0.8
517.13318	2.0
579.13947	1.3
625.15356	1.6
639.13019	1.0
669.14636	100.0
670.14990	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	669.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55021	0.6
59.01377	0.9
59.55690	0.6
71.32466	1.1
74.33575	0.6
91.05543	0.7
93.03468	1.0
99.00867	1.0
103.48618	0.5
105.03510	0.8
107.05054	1.9
116.60726	0.5
119.05041	1.7
121.02982	1.8
121.06605	1.9
123.04503	1.0
125.02461	1.6
133.06595	7.0
135.04555	2.7
137.02444	1.6
143.05052	0.8
145.02986	2.3
146.03752	1.3
149.02458	2.4
149.06085	3.3
151.04024	7.3
155.44406	0.5
159.04536	4.9
160.05269	1.0
161.02454	0.8
161.06110	12.6
162.03241	3.3
163.04024	18.4
165.01915	1.8
169.01459	0.7
175.03996	2.0
177.01933	1.1
177.05589	5.6
187.04025	7.4
188.04279	0.7
189.02106	0.8
190.02742	4.6
191.03377	0.7
193.01433	17.8
203.03516	2.8
204.04227	0.7
205.05067	24.3
206.05420	1.4
221.04565	1.2
231.03105	1.0
233.00952	1.3
237.00412	2.3
247.02509	1.1
249.04066	16.5
250.04491	1.0
275.01959	0.8
285.06177	0.7
293.02975	3.0
300.99863	1.0
337.02036	100.0
338.02368	4.6
340.14642	0.6
376.22409	0.7
463.78259	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47230	0.8
59.01111	0.6
59.01383	15.9
61.98817	2.5
66.93079	0.8
71.01391	20.7
83.01377	1.3
83.41866	0.8
85.02972	1.0
88.52478	0.9
89.01929	1.7
89.02454	25.0
95.01405	0.9
96.96021	3.1
98.27577	0.8
101.02455	10.7
103.65845	0.8
113.02459	6.8
119.03527	4.0
131.03461	1.8
143.03531	2.0
149.04533	1.7
149.18283	0.9
151.03242	0.8
161.04552	3.9
165.01617	0.9
178.95030	1.4
179.05650	13.3
229.59071	1.2
283.76205	1.0
319.12183	0.9
487.34332	100.0
488.34753	13.9
569.34875	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22446	0.5
58.00614	0.5
59.01107	0.9
59.01387	13.0
61.98825	0.9
71.01389	15.7
72.99310	0.7
77.35751	0.5
81.59872	0.5
83.01392	0.8
85.02944	1.3
86.77271	0.5
87.00887	0.6
89.02458	18.2
89.03021	1.0
91.78880	0.5
96.96033	2.1
98.19759	0.9
101.02457	8.4
108.10419	0.4
113.02476	4.2
119.03534	2.7
121.02946	1.1
124.66978	0.4
131.03540	1.6
141.01674	0.5
143.03540	2.0
145.02899	0.6
149.04570	1.0
156.91533	0.6
161.04584	1.9
178.89989	0.5
178.95178	0.8
179.05632	9.7
181.07098	0.7
186.82576	0.5
205.97693	0.5
247.02542	0.9
249.61902	0.6
273.00287	0.6
276.21112	0.5
291.01624	0.7
301.00012	0.9
469.17212	0.5
469.33487	0.7
473.32321	1.3
485.32776	3.0
487.34329	100.0
488.34695	14.5
569.34772	1.9
607.27509	1.1
635.72754	0.6
659.12567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.95249	1.3
59.01384	4.2
61.98840	15.4
68.58032	1.5
71.01398	3.1
78.95928	2.7
80.96470	1.3
83.62728	1.5
84.34894	1.3
92.69064	1.4
96.96044	4.5
98.19837	2.3
101.39110	1.4
114.78636	1.2
121.02988	6.5
125.02449	5.0
145.02971	4.0
159.21637	1.5
161.39168	1.5
169.01459	5.3
175.02460	1.6
197.02203	9.1
199.92203	1.6
211.13524	2.0
229.12268	1.4
285.04083	2.2
301.00037	2.3
320.32040	1.4
389.86679	1.4
423.32919	3.4
469.33487	100.0
470.33893	12.4
649.37805	2.1
667.36652	20.4
668.36902	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	667.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78614	0.2
57.44526	0.2
59.01398	0.7
61.98827	0.6
62.81067	0.2
63.62237	0.2
66.88293	0.2
71.01379	1.6
73.02964	0.5
78.95882	0.2
83.01382	0.3
85.02972	0.8
87.00887	0.3
89.02458	0.4
93.03471	1.2
95.01407	0.3
96.36325	0.2
96.96019	2.6
101.02477	0.7
111.00948	0.2
113.02456	0.6
117.03478	32.5
118.03790	1.0
119.05037	15.4
121.02979	1.4
122.03760	0.3
123.00928	0.3
123.04543	0.3
125.02432	1.1
130.08749	0.2
133.02972	0.4
133.06575	0.2
135.04565	0.5
135.33046	0.2
137.02457	2.0
145.02963	100.0
146.03311	3.6
147.04547	0.6
149.02505	0.5
150.03221	0.9
158.03752	0.5
159.04504	1.6
160.05299	3.6
161.02460	0.5
161.06096	2.1
163.04021	11.8
164.04703	0.7
165.01935	0.2
169.01410	1.3
170.01695	0.2
173.06134	0.5
175.04019	0.5
175.07664	2.7
177.05582	0.6
178.06340	0.8
179.03522	0.5
187.04037	1.1
192.08067	0.3
193.08673	0.4
205.05032	0.5
219.06581	0.3
247.02556	0.3
247.06145	0.7
255.10399	0.4
269.08224	3.2
270.08594	0.3
271.09833	0.2
281.08194	0.6
283.09766	1.7
289.07355	0.3
298.12173	0.3
298.33362	0.2
299.09338	2.6
300.99881	0.9
307.08243	43.9
308.08600	2.9
311.09274	3.6
312.09647	0.4
314.11624	4.3
315.12357	3.1
325.10843	0.3
326.11621	2.6
327.12125	0.7
329.10016	0.5
329.13950	9.1
330.14465	0.4
341.13806	1.9
345.13452	2.6
466.45712	0.2
468.38943	0.2
505.16711	0.3
617.98602	0.3
667.23969	32.0
668.24438	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	667.0795
Annotation	Unknow
Peak:m/z	Relative Intensity
69.52297	8.2
69.52700	2.2
71.01402	1.5
72.23013	1.2
79.05562	1.7
85.02989	1.9
91.05579	2.0
105.03476	1.9
107.01414	1.7
107.05029	1.3
113.02508	1.7
119.05009	7.7
121.06615	2.0
123.00922	2.3
125.02466	18.9
131.05046	5.1
133.02991	1.8
133.06664	1.7
134.03752	1.2
135.04527	2.7
137.02493	1.5
147.04520	11.8
149.02451	2.0
149.06102	19.9
159.04573	9.8
161.02533	2.6
162.03244	6.0
163.03970	4.7
164.82040	1.4
165.05551	1.4
169.01437	32.4
173.02483	2.3
175.04012	30.8
175.05522	1.5
176.04771	7.0
177.02061	1.8
177.05589	53.6
177.07130	2.7
178.06125	1.7
178.74567	1.2
189.01988	2.2
190.02768	2.6
191.03526	32.1
193.01547	1.4
193.05096	1.5
195.14813	1.2
203.03516	42.1
204.03857	1.4
205.01535	2.9
209.04549	2.3
217.01382	2.6
219.03026	6.9
220.03752	8.3
221.04604	23.2
231.03137	1.4
235.02527	18.0
247.02509	33.1
265.03546	43.8
266.03897	2.1
275.03040	1.3
277.03622	2.9
279.27789	1.3
291.01465	4.0
321.06146	3.3
330.70236	1.5
331.06680	3.7
379.06671	7.3
409.07773	100.0
410.08203	9.4
423.05536	1.5
453.06757	35.5
454.06912	3.4
549.08844	23.7
550.08881	2.0
579.09949	28.3
580.10571	3.2
593.07666	3.9
623.09180	8.9
667.07709	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	667.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	0.6
60.78529	0.4
71.01398	1.8
71.56727	0.9
85.02950	0.6
89.03913	0.5
93.03463	1.2
96.96025	1.6
101.02441	0.5
109.02958	7.1
109.53549	0.4
110.68273	0.4
117.03481	20.2
119.05042	11.9
123.04612	0.6
125.02469	1.3
131.05186	0.5
137.02452	1.1
145.02974	100.0
146.03333	3.0
159.04532	3.4
163.04037	13.0
169.01416	1.5
173.06042	2.8
187.04062	1.1
189.05641	2.2
191.07141	1.5
203.07164	1.1
205.04970	0.7
213.05577	0.5
240.04300	1.5
241.05081	5.2
242.05341	0.6
247.02480	0.7
255.06606	2.9
269.08261	1.1
271.39102	0.5
299.09277	4.0
300.99869	0.9
307.08258	43.3
308.08575	2.0
313.10931	5.0
329.10446	2.8
343.12003	1.4
344.12698	14.6
345.13229	0.9
359.15027	20.6
360.15262	1.5
521.20245	1.5
667.23975	19.7
668.24316	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	666.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16569	0.2
58.48357	0.1
59.05222	0.2
61.14521	0.2
61.98836	100.0
70.11359	0.3
70.11749	0.3
127.60051	0.2
133.02991	0.6
135.04517	0.2
137.02469	0.2
161.02480	2.2
167.10745	0.1
325.96683	0.1
332.09579	0.1
346.70163	0.2
389.74203	0.2
475.79230	0.2
477.98648	0.2
596.27728	0.2
603.40521	8.2
604.40955	1.5
651.96497	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	666.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
68.92474	0.5
70.56761	1.4
108.16469	0.4
133.02991	1.1
161.02490	2.1
161.28386	0.5
298.26575	0.5
426.64047	0.5
452.01089	0.4
603.40552	8.2
604.41388	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	665.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.0
61.98825	2.0
69.50658	5.6
71.01390	22.7
71.05030	1.1
83.01366	1.5
85.02967	1.9
88.64285	1.0
89.02454	30.2
95.01385	1.1
97.06585	4.7
101.02448	13.4
113.02486	5.5
116.00780	0.9
118.10308	1.1
119.03486	4.7
122.21975	1.0
131.03502	2.7
139.27640	1.0
143.03505	3.4
149.04549	1.5
152.15520	1.1
156.97821	1.4
157.44218	1.1
161.04549	3.6
179.05643	14.8
389.28375	2.3
391.30121	3.0
405.31619	7.0
407.33115	10.3
439.32016	2.0
441.33740	8.4
442.33960	1.5
450.76611	1.1
451.32175	35.7
452.32596	3.3
453.33777	100.0
454.34052	13.9
458.96808	1.1
471.34827	3.3
483.82446	1.1
485.36404	64.1
486.36945	10.5
497.32672	7.3
567.36981	6.2
567.44189	1.2
568.37421	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3916
Annotation	Cyclopassifloside VI
Peak:m/z	Relative Intensity
52.00314	0.6
53.49894	0.6
54.48886	0.7
58.00596	0.8
59.01388	19.9
61.98829	2.0
69.23923	2.6
69.24354	3.1
71.01390	23.7
71.05019	1.0
72.99313	1.2
73.02951	0.6
74.84843	0.6
83.01385	1.2
85.02969	1.7
86.31248	0.6
87.00883	1.4
89.02458	32.2
95.01395	0.7
96.96013	2.6
98.19844	1.4
100.67284	0.6
101.02462	9.1
106.26591	0.6
113.02459	6.6
117.03477	2.7
119.03510	5.0
119.05028	2.1
121.02965	2.0
131.03519	1.5
135.04555	1.1
143.03500	2.3
145.02982	5.5
149.04567	1.9
149.77930	0.6
150.20450	0.6
156.91655	0.7
157.05576	0.6
161.04585	4.0
163.04008	2.8
176.90034	0.7
179.05641	16.4
179.10783	1.0
185.42282	0.6
194.71458	0.6
197.11771	0.8
211.13397	1.0
391.30252	1.1
467.31738	1.1
485.32770	100.0
486.33133	13.4
487.34018	1.6
528.48712	0.7
567.32776	0.8
587.37695	1.4
605.26538	1.4
665.37146	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	665.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44507	0.9
59.01390	5.9
61.98833	10.7
62.93136	0.9
69.03458	2.5
71.01379	6.5
72.99326	1.2
73.02959	2.0
78.95916	2.6
83.01426	1.1
85.02983	2.7
87.00886	1.4
88.98827	2.0
89.02477	2.0
93.03464	1.2
96.96023	10.8
96.96986	1.8
97.06585	1.1
101.02422	5.3
109.02970	3.5
113.02478	3.2
116.92893	1.5
117.03500	6.1
119.05031	3.5
121.02961	4.8
122.03798	1.1
123.00906	1.4
123.04537	3.8
123.08135	1.0
125.02486	4.6
125.09724	7.9
128.21680	1.0
132.02170	2.1
133.02975	31.1
133.32224	1.0
134.03748	1.6
135.04550	18.9
137.02481	5.1
145.02972	17.2
146.03415	1.0
147.04535	2.6
158.36893	1.2
159.04549	1.9
161.02461	100.0
162.02832	3.5
163.04065	3.3
169.01480	7.9
172.92928	1.0
175.03972	2.6
176.04787	10.1
177.05568	2.7
179.03517	12.5
179.10881	1.1
187.09796	4.3
189.05566	2.3
203.03577	2.1
209.11821	4.4
221.04556	4.0
253.08994	1.5
263.05130	1.2
293.08475	1.6
300.99808	1.3
307.08206	9.1
309.07614	2.4
323.07733	47.6
324.08401	1.9
329.10333	1.2
339.08768	1.6
339.12451	2.3
339.52780	1.1
341.10297	27.9
342.10623	2.1
357.09756	2.9
423.18350	1.0
503.15652	2.1
503.32755	11.5
611.64697	1.1
624.00696	1.4
633.31622	8.5
665.18652	29.6
665.27704	1.8
665.36646	3.2
666.19135	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	665.1
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33449	0.4
59.01372	1.6
71.01385	0.9
71.13173	0.5
87.00925	0.4
89.02445	1.6
96.95965	0.5
99.46365	0.3
101.02457	0.5
107.01393	0.6
111.00893	0.5
113.02454	0.5
117.03393	0.4
119.05039	0.5
123.00883	1.3
125.02450	3.9
129.03479	0.4
137.02527	0.5
139.00371	0.4
145.02933	1.4
147.04489	1.2
157.02989	1.1
159.04529	0.8
161.02469	1.2
163.04070	0.9
165.01952	0.6
168.00693	0.6
169.01425	4.0
170.01816	0.5
173.02425	1.8
175.03961	0.7
179.05696	0.6
181.01257	0.4
182.84668	0.4
185.02475	2.7
189.01959	1.1
190.02641	0.6
191.03471	1.6
193.01447	1.8
201.01947	3.2
202.79128	0.4
203.03535	1.6
209.00560	0.5
211.02551	1.7
217.01373	0.8
219.02953	0.5
226.99919	0.5
229.01436	6.4
231.02980	1.7
243.30109	0.4
245.00868	2.2
247.02531	0.9
249.04105	2.1
257.00912	4.4
258.01657	1.2
264.34238	0.4
273.00348	1.2
274.01120	0.6
275.02023	14.2
276.02316	0.9
283.99673	2.8
299.99219	2.6
300.99918	100.0
302.00211	6.1
313.05692	0.4
323.13419	0.5
331.06870	1.9
383.11975	1.3
419.06277	0.5
421.04166	1.0
437.07089	0.8
481.06213	0.6
549.08362	0.5
586.48462	0.4
633.07452	12.0
634.07617	1.7
665.10065	10.5
665.20770	0.8
666.10608	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	663.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
69.36428	5.2
70.61369	0.6
78.95897	0.7
86.40259	0.7
89.06367	0.5
96.96037	3.4
105.03471	1.0
112.02108	0.6
117.03462	1.1
121.02958	1.5
132.02188	8.6
133.02972	6.1
134.03757	6.2
135.04594	0.9
137.02454	1.3
149.06133	0.7
160.01678	52.5
160.84241	0.9
161.02470	8.2
162.83890	1.3
175.04018	57.6
176.04355	1.8
177.01984	0.9
178.02611	1.3
179.03491	0.7
193.05090	3.0
284.44623	0.6
300.99902	0.8
437.30435	0.7
469.33246	2.8
501.35397	0.8
534.29950	1.0
547.30603	2.0
589.35681	1.5
663.39105	100.0
664.39532	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	663.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30006	0.4
59.01370	0.5
61.98837	1.1
70.47310	1.8
77.03969	0.4
83.47990	0.5
105.03466	1.0
117.03457	0.4
119.05091	0.4
123.81625	0.5
132.01230	0.9
132.02190	12.4
133.02991	6.8
134.03757	4.3
137.02515	0.6
149.06078	1.0
160.01677	66.3
161.02013	2.2
175.04019	84.1
176.04382	3.7
177.01979	1.8
178.02684	0.7
193.05058	4.6
194.40152	0.4
223.28398	0.4
331.06891	0.9
389.81366	0.5
421.31290	0.6
425.30859	1.0
428.76019	0.5
437.30789	0.5
455.31558	1.5
469.33273	0.7
478.51877	0.5
487.34406	0.7
564.72083	0.5
589.36096	0.6
621.20148	0.6
648.36816	1.6
663.39093	100.0
664.39459	17.6
688.61182	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.391
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73609	0.4
61.98840	0.4
70.79494	1.1
70.79843	0.4
95.05078	0.5
105.03484	1.1
119.05013	0.6
132.02196	11.5
133.03003	7.3
134.03802	3.9
149.06105	1.1
156.34506	0.4
160.01685	64.5
161.02040	3.0
175.04025	80.8
176.04338	3.0
177.01965	1.3
178.02713	0.5
193.05048	4.1
216.91129	0.4
294.04791	0.4
307.14032	0.4
330.20584	0.5
411.84314	0.5
439.32132	0.8
455.31592	1.4
467.31998	0.7
469.33182	0.7
471.34720	1.4
648.26733	0.6
648.37079	1.3
663.39063	100.0
664.39368	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	663.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	5.3
61.98838	2.2
67.01865	1.2
69.03433	1.7
69.59921	1.3
69.60940	2.5
69.61343	6.1
71.01369	3.0
75.93654	1.2
81.03478	1.4
85.02949	2.2
93.81973	1.2
95.01366	2.2
96.96008	4.7
97.02938	2.1
101.02408	1.6
107.01399	10.0
117.03465	10.6
119.05042	53.4
120.05345	2.2
121.14314	1.4
122.06102	2.6
123.00896	13.8
124.01629	1.7
125.02468	60.0
126.02765	2.1
139.00363	3.8
140.01202	1.4
145.02966	72.6
146.03264	2.4
151.00420	7.3
153.01906	2.0
163.04027	85.4
164.04314	4.5
165.01982	1.5
168.00603	3.7
169.01445	89.7
170.01768	3.4
174.05426	1.3
193.01353	1.5
196.03905	2.2
211.02518	6.5
211.05933	2.0
213.10301	2.3
260.69604	1.4
261.69073	1.3
266.10065	1.5
285.12344	2.0
286.12747	3.7
287.13040	2.2
293.09180	1.4
307.10791	1.7
308.11124	1.9
313.05753	1.3
331.06525	5.7
331.15417	3.9
349.12778	2.1
349.16617	22.7
350.17078	2.1
351.09457	2.2
352.09714	1.9
391.17612	25.9
392.17929	3.0
400.15814	1.6
421.18561	4.6
451.19449	6.2
499.18198	1.9
501.17322	3.6
501.32394	2.5
507.19199	1.6
508.19940	2.6
513.72559	1.4
517.19366	15.0
537.24054	1.8
539.22174	4.3
540.22614	3.7
553.24341	2.0
554.25092	3.3
555.24945	6.8
599.23975	5.2
603.20782	2.3
630.26697	2.3
631.26569	12.4
663.22833	100.0
664.23328	16.4
682.73828	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81542	0.6
59.01383	4.5
61.98819	1.9
67.01888	1.5
69.03474	1.5
69.23180	2.2
69.23598	4.2
71.01388	4.1
72.99336	0.6
73.02953	0.9
79.01874	2.2
81.03484	0.7
83.01389	0.9
85.02940	1.6
95.01392	2.3
96.96025	3.1
97.02949	2.0
101.02457	2.1
107.01406	8.0
111.00912	1.0
113.02458	2.5
117.03474	8.3
119.05037	49.7
120.05373	2.0
121.02946	1.5
122.06147	1.6
123.00902	14.5
124.01638	1.0
125.02460	56.0
126.02795	1.3
139.00352	4.7
140.01163	2.2
141.01877	1.0
142.63701	0.6
145.02966	63.2
146.03276	3.0
151.00377	8.4
151.04065	0.9
152.17006	0.6
153.01926	1.0
163.04024	74.2
164.04340	1.5
167.03574	0.9
168.00670	2.4
169.01440	77.1
170.01744	2.2
177.78195	0.6
183.02853	0.8
185.11884	0.9
193.01395	1.5
203.12866	1.9
205.05136	1.1
211.02516	6.8
253.03488	1.2
271.04529	0.9
313.05676	1.8
331.06714	3.7
331.15509	1.8
337.12823	1.1
349.16580	20.0
350.16870	1.9
363.17929	1.2
363.87442	0.7
391.17633	26.1
392.17828	2.6
421.18564	4.2
451.19885	6.1
499.18295	1.6
501.17685	3.4
501.32010	1.8
511.21835	1.0
517.19220	13.4
518.19617	1.3
603.21472	3.2
631.24530	1.1
663.22974	100.0
664.23346	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51308	0.8
55.01871	1.7
56.92750	0.7
59.01380	8.1
61.98837	10.4
62.63267	0.8
64.63341	0.6
67.01867	0.8
71.01387	11.2
72.99306	0.8
73.02940	1.9
83.01394	4.8
85.02973	4.3
89.02456	2.6
93.03452	2.6
95.01385	1.6
96.96035	5.1
98.19814	1.2
98.66908	0.7
99.00871	1.5
101.02433	7.4
108.02164	1.3
109.02946	2.8
111.00887	1.1
113.02441	6.1
117.03472	23.3
119.03609	1.0
119.05045	12.6
121.02975	5.7
125.02475	1.6
131.05019	2.3
132.05791	0.9
133.06598	2.8
135.04524	0.8
136.01639	1.6
137.02454	92.4
138.02869	1.5
139.15649	0.8
142.91438	0.8
143.05052	2.5
145.02962	95.5
146.03395	3.3
147.04477	1.5
159.04553	7.6
160.05319	8.1
161.02481	0.9
161.04578	3.9
161.06081	18.4
163.04022	15.0
169.01405	1.8
176.04800	2.2
179.07210	0.9
187.03931	2.4
189.05586	11.4
191.03668	1.1
195.13873	3.0
205.05051	5.6
221.58519	0.7
229.50832	1.1
233.04530	2.9
240.08862	1.2
241.09818	1.9
255.11380	1.7
281.08136	2.0
283.10904	16.1
284.11273	1.0
305.16113	7.9
307.08228	100.0
308.08548	6.1
311.09244	2.9
355.08234	49.9
356.08444	3.1
357.19159	5.5
375.20187	7.2
394.17221	0.9
492.17874	1.8
497.75327	0.8
501.31973	2.6
517.13513	2.8
524.20276	1.9
531.07739	0.8
663.17358	8.3
663.36920	2.2
664.17017	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38467	5.8
62.89526	5.6
71.19320	12.1
95.01381	8.6
101.02385	6.5
107.05050	7.2
117.03484	9.5
119.04929	7.5
119.40192	5.6
121.59266	5.7
123.00901	20.8
125.02451	55.2
133.02904	7.5
145.02994	23.9
147.04530	7.7
149.02444	7.0
157.02950	6.9
159.00887	9.7
161.02440	29.7
163.04021	12.9
166.99858	18.9
169.01431	85.1
172.01634	7.4
173.02472	19.4
175.03989	11.5
177.01987	11.4
185.02396	7.9
187.00307	8.4
189.01933	34.1
190.02786	11.7
191.03490	27.2
198.94237	7.5
201.01929	27.0
203.03499	11.4
207.02899	7.0
214.99960	7.6
217.01483	40.0
221.00974	7.6
226.99889	12.4
229.01398	33.4
231.02986	15.6
235.02405	13.1
242.99417	9.7
243.02818	7.7
244.00185	9.2
245.00986	54.6
246.01619	9.6
247.02547	36.5
249.03973	8.3
257.00955	10.0
259.02502	8.0
261.00400	12.4
270.98886	19.7
273.00388	80.3
274.00949	8.1
275.01923	15.4
277.03384	7.8
285.00211	11.5
288.99911	7.9
291.01453	12.1
298.98334	20.0
299.99075	15.2
300.99942	68.3
303.01291	7.3
305.03046	13.1
316.99323	13.0
331.00916	12.5
349.01938	13.9
443.02704	7.4
445.04187	43.8
461.03577	17.9
463.05194	24.4
493.06104	34.2
511.07159	10.1
587.06476	6.5
603.06329	13.9
613.04736	100.0
631.05817	32.7
663.08411	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	663.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32245	1.4
58.46662	1.6
59.01412	1.8
60.33759	1.8
65.00336	2.8
67.01910	2.1
69.03468	2.7
69.91396	5.0
69.91801	2.9
73.15627	1.5
79.01915	1.7
84.55923	1.7
85.02911	1.7
88.19582	1.8
89.03975	1.6
95.01424	10.4
97.03022	1.9
98.19885	2.1
107.01368	6.1
109.02942	2.5
111.00854	1.9
117.03456	6.5
119.05007	2.9
120.30479	1.6
121.02942	3.7
123.00902	21.7
125.02463	68.8
126.02806	1.8
132.02228	1.8
133.02995	8.4
135.04494	2.6
139.00352	3.9
144.02208	1.8
145.02979	19.7
147.00903	1.7
147.04501	6.0
148.01666	2.2
149.02397	4.7
151.00386	3.9
151.04071	1.6
157.02963	3.2
159.04492	4.0
160.01682	4.4
161.02460	21.8
162.03224	4.7
163.00394	3.5
163.04050	9.9
165.01837	1.8
166.99879	22.3
169.01440	100.0
170.01775	3.3
171.00870	5.3
173.02434	17.1
174.03090	2.9
175.03993	6.4
176.01105	2.5
177.01965	8.4
178.99892	9.1
179.03516	2.0
185.02405	3.5
187.00414	4.3
187.04036	4.5
188.01167	2.4
189.01961	24.6
190.02734	17.4
190.99840	3.4
191.03555	15.8
192.00607	2.5
193.01381	2.9
199.00377	5.4
200.01071	5.5
201.01956	24.0
203.03529	10.2
205.01360	3.7
205.05014	2.7
207.02969	3.1
211.02347	2.0
213.01942	4.5
214.99921	4.5
215.03452	3.0
216.00604	4.7
217.01433	39.4
218.02065	5.6
219.03001	4.7
221.00888	3.5
221.04559	1.7
226.99919	8.0
228.00673	7.7
229.01424	20.6
230.02016	3.7
231.03027	7.9
233.00842	3.2
233.04472	2.6
235.02431	5.0
241.01538	1.8
242.02286	1.9
242.99353	6.2
243.02946	3.6
244.00229	8.9
245.00903	46.1
245.03384	2.5
246.01663	9.1
247.02510	20.8
248.02864	2.1
249.04036	4.6
254.99292	5.6
257.00894	7.3
259.02484	6.8
259.99564	2.6
261.00449	6.4
261.04022	4.6
263.01950	4.7
270.98865	15.9
271.99585	6.1
273.00439	96.8
274.00870	7.3
275.01990	11.3
277.03571	4.1
285.00409	1.9
287.02057	6.5
288.99969	4.6
290.00479	1.8
291.01404	11.8
297.75772	1.8
298.98340	19.2
299.99088	15.8
300.99899	48.8
301.03369	3.2
302.00397	4.0
303.01456	6.2
305.03122	20.4
315.01456	2.8
316.99527	8.8
323.04102	2.2
331.00940	13.6
343.01157	2.5
349.01862	9.9
389.05350	3.1
405.04749	6.1
417.04660	4.9
433.04041	6.5
435.05615	3.9
443.02377	5.0
444.97928	2.4
445.04147	46.9
446.04541	4.5
449.06940	2.2
451.05261	5.5
461.03619	16.9
462.03683	2.2
463.05270	26.5
465.06635	6.8
475.05484	2.1
479.04553	6.9
493.06293	43.0
494.06476	3.0
511.07343	8.6
559.07465	2.9
569.06250	2.1
575.07483	2.6
587.06958	2.7
603.06067	9.0
613.04816	21.7
614.05182	2.5
619.09363	2.9
621.28180	2.0
631.06079	10.5
663.09064	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	661.3753
Annotation	Yungensin E
Peak:m/z	Relative Intensity
54.65355	0.6
61.40090	0.7
61.98837	1.5
66.66846	0.6
69.27715	5.9
71.01391	1.0
71.02813	0.6
78.63245	0.8
78.95903	0.9
85.02986	0.7
103.53951	0.6
105.03470	0.9
106.51550	0.6
132.02179	11.2
133.02982	6.8
134.03777	5.3
149.06097	0.9
153.05513	0.7
160.01669	65.7
161.02151	2.3
175.04013	83.2
176.04323	2.8
177.01912	1.8
193.05099	4.1
205.64143	0.8
210.80403	0.7
257.11786	0.7
453.29800	1.3
465.30408	1.2
467.31802	1.1
620.63861	0.7
624.47882	0.8
661.37488	100.0
662.37714	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11355	0.9
53.00301	1.3
55.01899	1.3
57.03436	3.3
58.20407	1.2
59.01380	11.2
61.98829	2.6
63.00048	0.9
67.01894	1.2
68.99813	1.9
71.01391	39.6
71.56733	1.3
72.99320	1.4
73.02933	1.5
75.88838	1.1
78.95915	2.1
79.01932	1.0
83.01397	5.3
85.02954	5.3
87.00879	3.3
88.98833	1.0
89.02414	1.0
96.96033	1.1
99.00274	1.5
99.00893	23.5
101.02438	1.8
111.00882	12.3
112.98824	61.9
115.00368	4.4
124.98826	8.6
129.01921	4.2
142.99878	100.0
144.00212	1.5
145.01453	3.1
146.86819	1.0
171.10287	25.2
172.10588	1.0
173.00928	77.8
174.01198	1.1
183.13858	1.8
211.13419	25.6
212.13803	1.6
348.29877	1.1
391.13828	1.0
447.22391	2.2
455.31564	7.7
487.34311	18.5
488.34772	2.3
601.33734	1.2
660.75848	1.5
661.32202	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	661.36
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.1
55.01880	1.0
57.03439	1.8
59.01375	3.2
61.98833	1.5
71.01386	15.7
71.56372	0.9
72.99305	4.7
73.02945	1.4
75.00877	0.9
78.95902	1.0
83.01395	3.6
85.02968	1.3
87.00889	4.6
88.98810	1.4
92.57695	0.7
96.96004	1.1
96.99317	1.8
99.00893	12.0
100.17815	0.7
101.02429	1.1
111.00880	4.0
112.98820	30.3
115.00390	7.6
124.98820	8.9
129.01935	1.4
140.98309	1.8
142.99873	100.0
144.00230	2.1
145.01442	5.1
154.99866	1.1
172.88100	1.0
173.00916	61.5
174.01297	1.9
180.75911	0.7
251.26588	0.7
300.99670	0.8
469.33170	1.2
487.34283	13.7
488.34781	1.3
541.31628	3.8
601.34430	1.1
661.35352	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	661.2888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.49960	1.6
59.01404	8.0
61.98830	11.6
68.99591	2.2
70.60873	3.4
70.61239	3.0
71.01385	4.6
83.04983	2.2
94.06646	1.9
96.96024	11.6
98.20547	1.8
100.02388	1.6
101.02443	3.0
105.14529	1.6
107.03741	2.9
109.19525	1.5
110.06116	2.6
111.00878	2.2
112.98607	1.7
113.02464	2.0
120.04588	1.7
122.06127	21.4
125.02426	2.9
127.04058	3.5
134.06110	4.4
135.04489	1.7
136.07678	2.0
139.07649	2.1
144.04486	1.5
149.91708	1.7
151.00420	1.7
152.07191	4.2
157.55714	1.5
161.04709	2.1
162.05692	1.9
165.01868	1.8
165.05643	2.8
169.01425	6.3
171.10284	1.5
174.05608	3.6
180.06595	3.1
186.05643	1.7
188.07144	3.4
197.11870	2.1
209.11768	1.8
213.10345	6.3
237.10228	1.9
239.11905	13.5
241.13521	5.0
242.45276	1.9
251.08348	2.5
251.11792	8.6
263.08191	3.2
263.11935	3.4
264.09033	11.2
265.09753	8.7
266.10529	2.3
267.11395	2.4
277.09683	3.5
278.06903	2.1
278.10168	1.6
279.08246	3.0
279.11340	14.6
283.10880	2.3
285.12442	24.9
286.12836	2.0
291.08054	3.5
291.11295	4.8
292.08505	20.4
293.09177	7.3
293.12714	3.4
300.99805	3.3
305.09329	2.6
306.10147	5.3
307.10913	55.9
308.11493	12.5
311.10468	2.9
322.13342	1.8
333.08655	2.5
340.10449	2.9
348.17032	1.8
350.09164	16.3
351.09863	51.2
352.10349	3.3
356.14307	2.3
365.11377	3.5
369.60721	1.7
370.15686	2.9
383.12274	1.8
398.15005	3.9
403.15350	1.6
412.16559	5.0
413.17297	3.7
430.18109	7.6
432.15613	2.4
447.17960	6.1
448.18747	4.8
462.20303	4.6
474.16379	2.9
487.33954	2.0
491.17026	3.4
492.17639	7.0
506.19360	49.1
507.19415	5.6
520.20233	2.4
523.19574	4.4
524.20288	7.3
535.23462	6.8
538.21979	100.0
539.22357	11.7
553.24634	23.6
554.25134	3.5
567.25012	2.1
579.22052	2.4
585.26367	5.9
597.23517	17.9
598.24060	4.1
611.24365	3.1
617.38422	2.9
629.26166	45.8
630.26849	7.4
661.28546	19.7
662.28394	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	661.2884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98574	1.6
52.78547	1.4
59.01372	5.9
61.98824	5.0
69.40200	14.8
71.01367	2.7
94.06588	2.2
95.05034	2.8
96.96001	10.0
98.20664	3.1
101.02448	1.7
101.46821	1.7
107.03729	2.3
108.10062	1.8
109.02937	2.0
110.06123	4.9
120.08183	2.9
122.06135	40.7
125.02427	4.7
127.04024	5.3
134.06137	3.5
139.07645	2.2
151.00432	1.9
152.07190	5.3
169.01440	3.8
197.11862	2.2
209.11702	1.9
225.11308	3.2
225.84920	1.8
248.09583	2.8
249.10291	5.2
251.11800	1.9
252.12674	1.9
261.10297	4.2
262.11139	6.8
263.08417	3.8
263.11816	13.4
264.09152	1.8
264.12531	5.6
265.13257	3.4
275.08215	3.4
276.09036	21.4
277.09729	7.8
278.10611	4.3
281.09125	1.8
285.03842	2.4
285.12296	1.7
290.10541	7.1
291.08179	3.3
291.11438	53.7
292.09180	1.6
292.12070	10.1
293.12845	4.5
294.10269	2.4
295.10767	2.6
295.14517	1.8
296.55725	1.9
301.00217	2.5
307.10587	2.7
308.11606	3.2
310.14468	1.7
321.12427	4.5
322.12900	3.3
323.13998	42.2
324.10977	3.8
324.14343	4.5
354.11829	2.1
356.13736	2.6
357.14581	1.9
358.15485	4.0
370.15677	3.9
371.16504	3.3
372.17191	4.0
374.18771	3.9
384.17493	3.0
385.18091	2.3
386.14856	5.6
386.19281	7.9
398.15027	5.3
400.16965	2.4
401.17575	2.6
404.15848	5.6
412.16736	5.0
413.17502	12.5
414.17996	5.7
416.16113	4.9
418.17331	3.7
430.17703	12.2
431.18420	4.8
432.19180	4.1
434.17139	7.6
444.19540	9.3
445.19849	6.5
448.18457	4.1
450.51584	1.9
461.18484	2.7
462.20374	20.7
463.21048	9.1
477.19052	2.6
489.19128	10.4
506.19073	10.3
507.20099	81.1
508.20276	9.2
523.23871	2.3
535.23413	5.3
538.22009	13.8
539.22681	2.3
553.24799	9.6
567.26587	9.2
585.27130	32.0
586.27246	4.0
597.10767	1.7
597.23334	4.7
599.24371	3.5
611.25000	14.2
612.25525	3.3
629.26202	100.0
630.26569	16.7
661.28436	19.9
661.38104	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	661.2886
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41219	2.0
59.01376	6.1
69.75695	10.0
79.12051	2.0
106.93575	2.1
107.03796	3.1
110.06120	8.8
120.55811	2.0
122.06135	35.9
134.06163	9.7
136.07643	3.9
152.07182	2.5
159.29576	2.3
160.06447	5.4
161.04800	4.7
174.05606	9.3
180.06662	5.9
203.05951	4.4
203.11922	2.1
213.10327	22.3
215.11882	4.1
225.10243	2.5
226.11044	2.3
239.11877	23.6
241.13425	16.7
249.10442	4.2
251.11925	7.3
263.08252	3.7
263.12000	2.1
264.09085	12.9
265.09811	11.2
266.10626	2.6
267.11505	2.9
277.09906	4.2
278.10629	2.1
279.08270	3.4
279.11340	15.5
280.12073	4.8
281.12781	3.7
283.10901	2.6
285.12469	66.9
286.12714	5.0
290.10291	2.2
291.08249	3.1
291.11447	11.9
292.08502	12.3
293.09213	7.9
293.12952	7.8
297.11227	2.2
301.11975	2.2
305.09433	2.4
306.10165	4.7
306.61725	3.0
307.10892	45.6
308.11597	19.3
308.81723	2.0
309.12146	3.3
311.10385	4.1
312.10806	2.3
323.14084	3.3
328.14212	2.7
330.15897	2.5
340.10779	6.2
343.13165	5.2
345.18304	3.2
350.09122	17.0
351.09833	39.3
352.10614	4.0
354.12518	2.8
356.13971	6.0
365.11111	3.2
368.17654	3.0
370.15619	11.0
371.16202	2.6
372.17145	5.4
374.15158	2.3
383.12311	2.6
384.17542	2.8
397.14331	3.2
398.15170	12.5
412.16595	11.6
413.17258	7.9
414.17972	2.6
418.17957	3.7
430.17743	11.3
432.15659	2.3
448.18622	7.4
456.15604	3.2
462.20181	4.5
474.16635	5.6
491.16992	3.5
492.17719	15.7
493.22714	4.8
506.19287	32.6
507.19452	4.9
511.23364	7.0
512.24255	2.7
520.20776	5.6
524.20117	4.3
535.23462	20.4
536.23199	2.9
538.21997	59.7
539.22327	8.1
553.24622	61.6
554.24756	7.5
556.23376	2.7
567.26483	3.1
579.22534	4.8
585.27240	6.9
586.27960	2.3
597.23541	60.6
598.23840	11.3
611.25153	6.1
629.26239	100.0
630.26624	15.4
643.27325	2.5
661.28784	37.4
662.29865	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	661.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01363	10.8
61.98814	7.4
62.85854	3.9
68.12305	3.1
69.59833	19.7
71.01390	5.3
83.05001	2.8
85.34747	2.9
87.58635	3.2
88.54803	2.9
89.02432	5.1
90.99796	3.1
96.96011	26.9
98.19950	5.9
98.95627	4.2
101.02472	3.6
103.99270	3.3
110.06111	13.8
111.00819	3.0
112.98505	3.7
113.02402	4.4
121.02960	4.2
122.06126	55.7
123.00879	3.9
125.02501	15.5
134.06113	11.6
136.07680	4.3
137.02402	4.7
145.02995	3.4
152.07137	3.9
160.06447	4.3
161.04805	4.6
165.01906	11.3
169.01410	17.2
173.99380	3.1
174.05568	13.1
174.21942	3.2
177.01836	3.4
180.06703	6.2
195.06740	3.4
203.05869	4.4
213.10394	23.7
214.10361	2.8
223.06161	4.2
225.10277	3.4
226.11151	4.3
230.11990	3.2
237.10248	4.9
239.08232	5.1
239.11905	39.0
240.12236	4.0
241.13477	16.2
251.08231	4.5
251.11868	8.9
257.12991	3.6
263.08200	4.5
263.11923	4.4
264.09018	12.1
265.09732	13.8
267.11325	12.6
273.00467	3.8
277.09827	5.7
279.08038	3.2
279.11435	18.1
280.11996	7.6
281.09402	3.3
281.12820	6.5
283.10803	8.1
285.12466	78.1
286.12698	4.3
291.07919	6.3
291.11371	12.3
292.08585	13.5
293.09290	12.5
293.12671	5.7
296.11273	3.7
300.99863	12.5
301.11880	10.8
306.10092	7.0
307.10880	46.7
308.11484	17.2
311.10385	8.2
313.11829	4.0
325.11966	4.1
340.10672	9.5
343.12885	5.7
350.09094	9.9
351.09885	28.1
352.10458	6.1
356.13959	7.2
365.11444	4.6
370.15637	18.2
371.16138	4.9
372.16992	10.3
398.15137	21.8
403.15146	3.8
405.86932	3.6
412.16641	12.9
413.17404	14.0
414.18109	3.8
414.99942	3.4
420.19141	5.8
430.17645	11.4
448.18613	9.6
457.16568	3.9
462.20444	5.8
474.16724	6.3
485.25208	5.0
492.17566	9.6
493.22345	6.9
506.19302	25.4
511.23230	17.1
524.20422	12.4
535.23468	25.5
538.21960	62.3
539.22296	4.2
553.24579	75.7
554.24866	8.9
579.22601	9.8
585.27161	10.5
597.23529	78.9
598.23761	10.6
605.09845	3.2
611.24799	5.6
629.15845	5.0
629.26196	100.0
630.26587	15.8
643.27521	7.0
661.28931	79.5
662.28735	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	659.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13875	0.6
59.01385	100.0
61.98842	0.7
69.47169	4.2
122.93217	0.6
270.68747	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08272	1.4
59.01371	5.9
60.97791	1.2
61.98830	1.7
66.32655	1.4
69.03430	1.2
71.01366	3.6
78.95904	1.7
79.48478	1.4
83.01398	1.3
87.00866	1.9
95.01389	1.4
96.96020	20.2
98.26117	1.2
101.02438	1.6
107.01418	1.7
108.02172	1.5
109.02977	1.7
111.00861	2.9
113.02448	1.7
117.03441	2.2
118.94024	1.2
119.04989	1.8
121.02972	2.1
123.00865	4.0
124.01708	1.9
125.02460	16.0
132.02170	2.7
132.67482	1.5
133.02959	2.4
134.03821	1.8
137.02446	4.0
141.01927	1.5
145.02939	3.3
147.91997	1.3
148.01671	3.0
148.44185	1.3
151.00369	3.2
159.04587	1.5
160.01624	2.7
161.02475	9.0
163.00421	6.3
163.04002	5.1
164.01176	2.1
165.01968	7.4
166.02676	1.4
166.99896	1.4
169.01445	21.1
172.01585	2.1
173.02452	2.6
174.03259	2.7
175.04044	3.3
176.01144	3.7
177.01901	3.3
178.99916	2.0
179.03488	2.8
180.04277	3.2
187.00446	8.4
187.04065	3.1
188.01187	5.5
189.01917	10.2
189.27942	1.3
190.02702	5.5
190.99876	2.8
191.03438	4.1
195.06622	3.8
200.01070	2.0
201.01903	5.6
202.02589	1.4
202.99788	3.0
203.03493	4.1
209.00948	2.1
209.08276	2.5
214.99919	13.8
215.03423	2.1
216.00661	13.6
217.01443	23.0
218.02025	1.7
219.02995	3.7
225.07697	3.3
229.01416	5.1
230.02060	2.5
230.99362	12.2
231.02968	4.8
232.00081	3.8
233.00888	1.4
242.99472	6.3
244.00081	5.5
245.00974	6.2
246.01607	1.9
247.02531	7.7
249.03862	1.5
257.00916	3.2
257.98132	4.1
258.01733	8.7
258.98898	3.0
259.02386	4.4
259.99646	17.1
261.00327	4.0
270.98926	3.0
271.99463	1.6
273.00504	6.7
274.01230	6.9
275.01981	12.4
277.03589	4.2
286.98386	18.3
287.01651	2.0
290.00760	1.8
300.99976	9.7
302.00406	5.2
303.01483	23.8
304.02017	1.5
318.00162	8.7
321.02469	1.5
328.99475	2.2
345.99716	4.9
347.00403	12.9
389.01636	6.5
419.02658	4.1
447.05609	2.0
449.03586	6.0
465.06854	1.7
491.04721	50.9
492.05167	4.4
509.05930	14.8
589.08325	2.9
601.04779	4.1
617.07629	3.1
629.50586	1.8
661.06824	100.0
661.17346	5.5
662.07281	13.1
663.71143	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.366
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78697	0.5
56.02969	0.5
57.03443	0.6
58.56693	0.5
59.01379	2.5
59.76436	0.4
61.98839	4.7
64.80992	0.5
65.00317	0.6
67.01905	0.7
69.03442	0.5
71.01385	2.6
72.99300	0.6
73.02968	1.1
79.01894	1.1
83.01404	0.9
83.05031	1.1
85.02945	1.5
87.00816	0.6
89.02456	0.6
93.03460	0.7
95.01410	1.6
96.96024	1.1
101.02460	2.3
107.01409	3.1
107.73785	0.5
111.00898	2.2
113.02467	1.1
119.05057	0.8
121.02892	0.4
122.06141	1.5
123.00903	12.6
125.02461	14.8
127.04034	2.0
136.98813	1.5
137.02457	1.8
139.00401	4.5
140.01180	3.0
141.01927	1.7
145.02885	0.5
150.06856	0.8
151.00406	8.4
152.07187	1.9
153.01978	0.9
165.01904	0.5
168.00674	2.0
169.01443	17.0
183.82127	0.5
185.11906	1.1
197.11790	0.5
209.11876	2.8
210.12234	0.4
211.02522	0.9
211.13452	0.6
213.11195	0.5
242.92174	0.5
285.04059	1.6
313.05841	1.1
460.18866	0.5
496.36929	1.2
497.30530	0.6
497.37604	1.3
504.17691	0.6
536.20367	1.1
583.25677	1.1
600.84802	0.5
627.24512	2.1
659.36530	100.0
660.36932	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	659.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05997	0.8
57.03439	2.2
57.81298	0.7
59.01138	0.9
59.01390	7.8
61.98837	9.7
62.73099	0.7
71.01396	6.9
71.55556	0.9
71.55909	1.0
73.02955	1.9
81.03465	1.7
81.51046	0.9
83.01411	1.7
83.05037	5.8
84.02171	0.8
85.02964	2.2
87.00879	1.5
88.98864	1.0
89.02451	3.6
95.05010	1.2
95.79961	0.9
96.96015	6.2
97.06599	4.5
101.02448	5.6
109.02959	1.0
112.98541	1.4
113.02468	3.8
125.02478	2.1
125.06113	1.1
125.09741	1.4
135.08142	1.0
137.02444	2.3
138.01962	2.3
141.23584	0.9
145.02943	1.2
151.00475	1.2
151.11293	16.4
152.07184	1.3
161.04587	3.1
163.11292	3.6
165.12845	2.1
169.01451	2.3
169.12349	82.8
170.12686	3.9
179.05731	1.2
183.13918	1.0
185.12018	1.1
195.10291	3.2
197.11887	1.1
209.11833	68.3
210.12177	5.8
210.81265	1.1
211.13536	6.7
212.13741	3.2
213.11362	12.7
213.13351	1.1
213.14262	0.9
225.15007	1.4
227.12976	7.7
235.08188	2.8
253.09344	5.6
259.63828	0.9
271.59082	1.0
285.04062	10.1
300.99771	1.8
355.12796	1.1
431.19186	2.8
449.20398	10.1
460.18512	1.1
488.34967	2.3
489.34778	5.3
548.12482	0.9
627.24976	2.0
641.31549	3.4
659.32916	100.0
660.33289	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	659.3653
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40005	0.3
55.01864	0.4
57.03448	0.4
59.01384	2.6
61.98834	3.9
67.01886	0.9
68.83831	0.3
68.99826	0.4
69.03447	0.7
71.01382	2.5
72.99306	0.7
73.02956	0.7
74.33337	0.3
74.61300	0.3
79.01883	1.0
80.05058	0.6
81.34948	0.3
83.01389	1.1
85.02952	1.4
87.00885	0.7
87.76391	0.3
88.98784	0.4
89.02446	0.5
89.04853	0.3
93.03467	1.2
93.80936	0.3
95.01394	2.4
96.96021	6.9
97.02926	0.6
99.00880	0.4
101.02458	1.7
107.01418	3.3
107.03799	0.4
109.02962	0.8
110.00097	0.4
110.55365	0.3
111.00886	1.9
113.02496	0.8
116.92882	0.9
122.06135	2.7
123.00902	13.5
123.04521	0.5
124.01677	0.8
125.02460	15.8
126.02766	0.4
127.00419	0.8
129.01039	0.3
133.02948	0.4
134.06114	0.7
136.98801	1.1
137.02449	2.6
138.05655	0.3
139.00380	4.5
139.04039	0.4
140.01189	3.1
141.01910	1.3
149.02380	0.6
150.05615	0.6
151.00378	8.6
151.04018	0.6
152.07175	2.7
153.01932	0.6
163.04021	0.8
165.01923	0.3
167.03471	0.4
168.00659	3.0
169.01431	18.1
170.01772	0.5
171.10394	0.4
174.05719	0.4
179.03453	0.4
181.05188	0.6
185.11853	0.4
188.07166	0.8
191.03508	0.4
209.11894	1.7
211.02481	2.9
215.07155	0.8
246.40756	0.4
251.08286	0.5
253.09648	0.5
267.11630	0.3
271.04623	1.5
285.03998	1.2
289.07257	0.7
295.10818	2.0
300.99783	0.8
301.07175	1.5
307.10974	0.8
313.05646	1.2
327.36234	0.3
460.18948	1.9
461.18723	0.6
504.17892	4.9
505.18277	0.7
536.20270	2.9
583.25110	0.5
606.84912	0.4
609.23370	0.8
627.24194	1.4
641.25220	0.5
659.36499	100.0
660.36847	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.321
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.8
61.98820	40.3
71.57304	29.8
74.61497	20.3
109.72629	21.7
142.75803	21.1
152.99619	21.1
153.04962	22.0
224.41977	23.0
283.49396	19.8
298.08011	19.8
387.25333	31.5
531.58417	26.9
587.32971	46.8
614.47839	21.1
623.34650	100.0
631.31702	24.8
659.32684	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	659.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65376	0.8
55.31621	0.8
57.61682	0.8
57.66071	0.7
59.01385	5.8
59.22663	0.8
61.98832	12.7
65.00351	1.1
68.99557	1.4
69.58163	0.8
71.01381	2.8
72.99310	0.8
78.95924	1.2
80.05079	1.6
83.01381	1.4
83.05033	1.1
85.02950	1.4
88.98801	0.8
89.02460	1.0
93.21450	0.8
94.06628	1.1
96.96010	6.2
96.96991	0.7
101.02457	2.0
104.05061	1.5
107.01389	3.4
107.03766	3.7
108.04589	1.0
111.00884	1.9
112.98569	1.7
113.02437	1.8
122.06133	22.5
123.00890	3.4
123.06415	1.2
124.07668	1.0
125.02457	6.2
127.04059	1.3
132.04543	2.2
133.02971	7.8
134.06163	4.7
135.50641	1.1
136.07703	13.6
138.01984	6.7
139.00414	1.5
139.02795	1.3
145.02980	1.1
146.06116	1.0
149.02469	1.3
150.05589	1.2
150.06793	1.3
151.00380	6.0
152.07185	29.6
164.03491	0.8
164.07042	0.8
169.01414	7.1
171.10295	0.9
175.04010	3.0
176.03549	1.0
179.10669	1.2
180.06685	2.7
185.11751	0.9
188.07127	1.8
190.05168	6.0
199.03955	1.9
201.01871	1.0
209.11960	5.9
210.12187	2.5
211.13588	3.8
212.13751	3.1
213.10332	0.8
213.14015	1.4
217.05006	1.1
225.10165	1.1
227.12819	1.8
228.08990	0.9
239.11911	3.9
241.09857	22.2
242.10248	1.5
243.11530	1.3
245.12907	1.1
249.06750	0.8
249.10062	1.0
251.08220	1.0
252.08989	1.3
253.09630	3.8
254.10582	3.9
255.11383	2.0
256.12186	9.1
257.12869	1.7
263.08301	1.6
267.11392	2.0
277.09872	1.6
278.10574	3.1
279.11179	1.8
285.04071	100.0
286.04404	6.5
291.11563	1.5
295.10852	5.6
296.11331	1.3
300.11121	2.9
300.99847	2.1
303.13446	2.0
307.10977	2.7
313.12000	1.1
315.13513	26.2
316.13843	1.9
319.13113	1.9
323.10410	1.5
329.23413	2.4
339.13742	1.1
341.11438	1.0
355.13000	12.5
356.13562	1.7
376.16473	1.0
389.17471	3.3
401.17300	0.9
419.18268	6.3
420.19019	1.2
460.18750	6.9
461.19495	1.4
463.17639	5.2
476.18225	1.3
487.17407	1.4
492.17688	1.8
495.36609	1.0
496.37289	2.8
497.36908	1.4
504.17743	17.5
505.18185	2.2
524.20245	2.0
536.20184	10.5
537.20465	1.0
541.24542	1.3
565.24359	2.4
583.25592	2.4
585.23547	17.5
586.23688	2.0
609.23566	6.0
615.39728	1.1
627.24573	5.4
628.24976	1.1
641.26471	1.6
659.13525	1.0
659.26837	3.1
659.36603	21.2
660.36737	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	659.273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65376	0.8
55.31621	0.8
57.61682	0.8
57.66071	0.7
59.01385	5.8
59.22663	0.8
61.98832	12.7
65.00351	1.1
68.99557	1.4
69.58163	0.8
71.01381	2.8
72.99310	0.8
78.95924	1.2
80.05079	1.6
83.01381	1.4
83.05033	1.1
85.02950	1.4
88.98801	0.8
89.02460	1.0
93.21450	0.8
94.06628	1.1
96.96010	6.2
96.96991	0.7
101.02457	2.0
104.05061	1.5
107.01389	3.4
107.03766	3.7
108.04589	1.0
111.00884	1.9
112.98569	1.7
113.02437	1.8
122.06133	22.5
123.00890	3.4
123.06415	1.2
124.07668	1.0
125.02457	6.2
127.04059	1.3
132.04543	2.2
133.02971	7.8
134.06163	4.7
135.50641	1.1
136.07703	13.6
138.01984	6.7
139.00414	1.5
139.02795	1.3
145.02980	1.1
146.06116	1.0
149.02469	1.3
150.05589	1.2
150.06793	1.3
151.00380	6.0
152.07185	29.6
164.03491	0.8
164.07042	0.8
169.01414	7.1
171.10295	0.9
175.04010	3.0
176.03549	1.0
179.10669	1.2
180.06685	2.7
185.11751	0.9
188.07127	1.8
190.05168	6.0
199.03955	1.9
201.01871	1.0
209.11960	5.9
210.12187	2.5
211.13588	3.8
212.13751	3.1
213.10332	0.8
213.14015	1.4
217.05006	1.1
225.10165	1.1
227.12819	1.8
228.08990	0.9
239.11911	3.9
241.09857	22.2
242.10248	1.5
243.11530	1.3
245.12907	1.1
249.06750	0.8
249.10062	1.0
251.08220	1.0
252.08989	1.3
253.09630	3.8
254.10582	3.9
255.11383	2.0
256.12186	9.1
257.12869	1.7
263.08301	1.6
267.11392	2.0
277.09872	1.6
278.10574	3.1
279.11179	1.8
285.04071	100.0
286.04404	6.5
291.11563	1.5
295.10852	5.6
296.11331	1.3
300.11121	2.9
300.99847	2.1
303.13446	2.0
307.10977	2.7
313.12000	1.1
315.13513	26.2
316.13843	1.9
319.13113	1.9
323.10410	1.5
329.23413	2.4
339.13742	1.1
341.11438	1.0
355.13000	12.5
356.13562	1.7
376.16473	1.0
389.17471	3.3
401.17300	0.9
419.18268	6.3
420.19019	1.2
460.18750	6.9
461.19495	1.4
463.17639	5.2
476.18225	1.3
487.17407	1.4
492.17688	1.8
495.36609	1.0
496.37289	2.8
497.36908	1.4
504.17743	17.5
505.18185	2.2
524.20245	2.0
536.20184	10.5
537.20465	1.0
541.24542	1.3
565.24359	2.4
583.25592	2.4
585.23547	17.5
586.23688	2.0
609.23566	6.0
615.39728	1.1
627.24573	5.4
628.24976	1.1
641.26471	1.6
659.13525	1.0
659.26837	3.1
659.36603	21.2
660.36737	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	659.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04923	1.3
59.01385	13.7
61.98833	9.4
69.35142	12.4
71.01402	1.9
72.99332	1.4
73.02894	2.0
80.05067	7.7
84.34232	1.3
85.03004	1.6
89.47733	1.5
93.03460	3.0
94.06638	2.6
96.96027	13.9
98.20692	2.9
99.32761	1.4
101.02451	2.7
104.05086	4.3
106.06628	3.3
107.01405	3.7
107.03756	3.3
108.04585	2.6
111.00863	3.3
116.92950	2.3
120.04561	3.6
120.08273	2.5
121.05354	1.9
122.06133	34.6
123.00134	1.6
123.00880	8.2
124.01698	2.0
124.07702	1.9
125.02447	12.3
132.04544	2.3
134.06174	9.4
136.04070	2.1
137.02382	1.9
138.05571	3.4
139.00403	3.6
139.02676	2.1
139.24927	1.6
145.02998	1.8
148.04012	2.9
150.05501	3.3
151.00356	6.5
151.04018	1.8
152.07187	45.3
153.07518	1.8
160.03999	1.7
160.06358	1.6
161.04781	1.5
166.46997	1.4
168.00589	2.6
169.01405	16.6
174.05627	6.4
178.07463	2.2
188.07213	1.8
190.05139	3.3
209.11816	2.8
213.10298	12.2
231.11395	21.2
237.10278	2.1
239.11917	8.2
241.13440	21.4
243.11259	2.0
245.12932	6.3
251.11890	2.6
257.13040	12.4
259.14529	3.5
265.09769	2.9
267.11349	2.3
279.11319	3.9
285.03806	2.0
285.12424	3.4
291.07697	2.4
295.10919	8.1
297.12567	1.7
300.99887	5.5
303.13519	79.8
304.13754	4.7
306.09973	2.1
311.13898	7.2
313.11923	6.2
323.10352	11.8
324.99936	3.3
325.11935	2.6
339.09921	2.1
342.12424	2.1
343.13058	2.4
344.14050	2.0
350.09189	4.4
355.12924	6.5
358.15616	4.8
362.14795	2.0
370.11475	2.0
375.15884	4.4
376.16702	23.1
377.17087	1.9
400.16653	3.1
402.14459	4.3
418.17654	12.3
430.17651	4.3
460.18997	3.2
461.18903	1.9
504.17621	10.7
505.18790	1.8
536.20361	6.3
539.22809	3.0
541.24579	16.5
542.25085	2.0
565.24426	9.0
583.25635	75.2
584.25897	9.5
586.24115	3.5
599.24963	2.1
609.23376	3.3
617.61334	1.6
627.24603	100.0
628.25061	15.6
659.14288	3.8
659.26947	27.1
659.36523	55.7
660.27240	4.0
660.37079	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	659.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68233	0.5
59.01379	2.5
61.98831	2.1
63.77900	0.5
66.87415	0.5
71.56857	0.8
80.05070	24.2
94.06620	2.1
96.50877	0.5
96.96027	1.2
106.06620	4.5
107.03809	2.7
120.04576	0.9
120.08208	0.8
121.05309	0.8
122.06141	17.4
124.07686	2.1
134.06149	6.8
139.02808	1.2
152.07188	26.9
153.07507	0.8
160.06407	1.1
164.07137	2.1
170.88396	5.3
171.78630	0.6
211.13557	3.0
212.13744	0.9
213.10344	7.6
217.13519	0.9
225.10335	1.2
226.11203	0.9
227.12029	1.9
239.11935	18.2
240.12314	0.7
241.13518	4.6
243.11424	0.8
245.12971	18.4
246.13365	0.8
251.12021	2.7
253.13499	1.9
267.11462	1.7
267.14850	1.0
271.14386	0.8
277.13098	0.7
283.10852	1.1
285.12479	22.1
286.12726	1.2
293.12769	0.8
295.14600	1.8
297.12332	0.8
316.14600	5.5
317.15329	0.9
330.16272	1.6
331.16797	2.0
332.17691	11.7
333.17941	1.2
339.13467	1.9
342.12598	0.8
344.13965	0.6
344.17688	2.5
358.15494	2.1
359.16293	0.7
372.17197	1.5
373.17905	1.3
374.18622	1.7
378.70050	0.6
386.18796	1.9
416.16180	0.7
417.16867	1.0
418.17755	1.3
469.26639	1.2
487.34442	0.7
497.25641	7.7
498.25800	0.9
508.82642	0.6
541.24713	6.1
555.26123	1.5
565.24866	1.0
583.25665	100.0
584.25989	16.7
659.22821	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94927	1.4
59.01373	6.9
61.98833	8.8
65.04861	1.5
71.01389	3.6
72.35181	1.5
73.90257	1.6
80.05068	4.7
83.01379	2.6
85.02950	1.9
88.98827	1.8
90.97558	1.7
93.36045	1.4
94.06628	4.9
95.01358	1.9
96.96021	5.6
97.02990	1.6
101.02454	3.3
107.01440	3.2
107.03767	7.2
111.00906	2.8
112.98564	1.9
113.02509	1.8
120.08215	2.3
122.06134	74.5
123.00890	12.1
124.07703	2.4
125.02460	12.4
134.06142	4.6
135.04533	1.6
136.07738	5.4
137.02448	2.6
138.05638	2.2
139.00401	3.6
139.02780	1.8
149.04874	1.8
149.81822	1.6
150.05640	3.2
150.06825	3.1
151.00385	7.3
152.07190	84.6
153.07547	3.4
163.07579	2.4
166.82697	1.6
168.00703	2.9
169.01459	17.6
195.10397	1.6
208.10127	3.4
209.11929	2.9
211.02341	1.8
212.91425	1.6
223.08821	4.6
223.12399	6.9
224.09473	2.0
234.08057	1.9
236.09579	3.1
237.10359	4.7
238.11168	2.5
239.11885	3.8
240.09030	2.3
241.09897	1.8
245.12807	2.2
249.10376	6.6
251.11882	25.5
252.12694	28.5
253.09814	2.8
253.13379	9.5
257.12878	3.7
258.13159	2.9
265.09900	1.9
265.13342	1.9
267.11334	2.4
277.09863	2.0
278.10565	4.3
280.08505	3.3
285.04147	2.0
295.10895	8.6
296.11633	5.0
299.99118	41.6
300.99786	18.0
301.11865	2.4
302.12164	3.4
303.12711	3.5
310.71426	1.6
332.17853	2.7
338.93271	1.7
372.17297	3.8
374.18985	8.0
384.17160	2.1
386.18756	3.4
387.19839	3.1
402.18213	2.8
416.19998	8.6
417.20587	12.4
442.17517	2.0
443.18341	2.4
460.18793	12.0
461.19577	59.5
462.20041	5.3
486.16641	1.7
492.21542	15.0
495.36801	2.5
496.37045	2.9
497.37903	2.1
504.17926	11.0
505.18179	6.0
518.19177	2.0
536.20605	7.2
539.26685	18.7
540.26947	4.2
565.24481	5.0
583.25659	100.0
584.26178	16.0
609.23236	4.1
615.28259	10.2
615.37164	2.3
626.12872	1.7
627.24646	28.9
628.24695	4.4
641.25500	1.7
659.18872	22.2
659.36633	57.9
660.20013	4.1
660.37024	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	659.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34655	1.1
59.01388	11.4
61.98840	8.1
64.48406	1.2
69.35847	8.4
71.01385	3.0
80.05054	8.5
82.42773	1.0
89.02451	1.7
93.03480	2.8
94.06628	3.3
96.96014	11.0
98.20582	2.4
101.02455	1.1
104.05102	1.5
106.06657	2.9
107.01383	1.9
107.03773	4.9
108.04528	1.4
111.00902	1.7
119.05045	1.5
120.04538	4.7
120.08202	3.5
121.05383	1.7
122.06140	36.5
123.00887	4.0
123.03289	1.5
123.04485	1.3
124.04018	1.2
124.07618	1.4
125.02473	7.4
130.06636	1.2
132.04552	3.5
134.06139	9.8
136.04047	1.8
137.02429	2.1
138.05638	7.0
139.02689	2.1
146.06171	2.0
148.04045	3.9
150.05624	6.0
151.00435	2.8
152.07195	55.4
153.07509	2.8
160.04039	3.9
160.06439	1.5
161.04749	1.7
162.05577	1.6
168.00682	1.4
168.06625	1.7
169.01459	10.2
172.07539	1.2
174.05627	5.0
176.03566	1.2
180.06616	1.4
188.07175	2.8
190.05106	3.4
211.08748	1.5
213.10406	10.4
214.12341	2.0
215.11874	1.6
223.08842	1.5
225.10146	2.9
226.11073	3.1
229.01422	1.1
231.11392	22.9
232.11661	2.8
235.51155	1.2
237.10281	3.6
239.11917	8.0
241.13452	21.4
242.13763	1.5
245.13002	9.0
251.11937	2.0
253.09941	2.0
257.13025	11.1
258.13019	1.1
259.14499	2.8
263.07922	1.9
264.09006	1.8
265.09818	4.1
267.11307	1.9
269.12946	3.0
273.00217	2.5
277.09827	2.1
278.10568	2.2
279.11325	6.7
281.13010	1.4
285.00592	2.4
285.03986	2.2
285.12540	3.8
291.07935	1.4
291.11356	2.4
293.09241	1.6
293.12924	2.2
295.10889	11.3
296.11380	2.2
300.99927	4.9
302.00311	1.5
303.13528	76.6
304.13928	5.8
306.10101	1.5
307.10889	2.2
311.13971	7.5
312.99960	2.0
313.11905	5.5
322.09674	1.4
323.10333	9.7
324.10809	2.0
324.99994	2.9
325.11884	2.7
326.12842	1.2
328.10748	1.6
339.09796	1.5
343.13040	3.2
348.13370	1.7
350.18607	1.3
355.12973	7.0
356.13837	1.8
358.15744	4.9
361.14584	1.7
375.15845	4.0
376.16699	18.6
377.17062	2.5
385.14227	1.3
387.15707	1.5
390.18210	1.9
400.16602	5.3
402.14420	3.6
418.17865	13.4
419.18353	2.3
430.17563	3.0
444.19943	1.4
460.18909	5.4
488.18332	4.5
504.17844	13.4
505.18311	3.7
515.26758	2.3
520.20630	4.3
523.22241	1.4
536.20508	11.4
539.23474	4.1
541.24585	13.7
542.25336	1.5
559.25500	1.9
565.24646	6.9
583.25690	78.7
584.26196	11.5
586.24359	3.6
597.23541	1.6
609.23639	4.6
627.24646	100.0
628.25031	14.5
641.26056	1.6
659.13806	3.6
659.26996	30.0
659.36627	16.4
660.27252	5.1
660.37024	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	657.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14583	0.5
59.01396	4.2
69.03458	0.6
69.36418	1.3
69.36832	3.4
71.01389	3.8
80.02693	0.7
80.05074	3.0
81.03470	1.1
81.87737	0.5
83.01411	0.5
83.05037	4.7
85.02978	0.7
89.02462	2.3
96.65263	0.5
96.95982	0.6
101.02464	2.7
104.05092	1.0
106.06657	1.4
108.08203	1.8
113.02451	1.8
119.03484	0.5
121.05356	1.9
122.06136	6.8
134.06126	3.2
135.08151	0.7
136.07698	30.0
137.08128	0.8
146.06142	0.7
148.04092	0.8
160.04059	0.7
161.04539	1.3
163.11304	2.8
165.12865	1.8
167.14461	0.6
171.10352	1.4
174.05588	1.1
181.12366	0.7
183.13956	6.1
186.05653	0.6
188.07156	1.8
193.12396	1.5
209.11856	93.0
210.12215	3.3
211.13412	100.0
212.13757	5.3
213.10309	2.8
223.08696	0.7
225.10464	1.3
226.11215	0.9
227.12939	13.4
229.13411	2.6
230.13608	0.5
235.08247	3.1
237.10381	0.9
239.11928	4.0
241.13416	2.8
249.15016	1.4
250.07520	0.8
251.08188	1.2
251.12109	0.7
253.09360	9.2
263.08301	1.0
265.09851	2.7
266.10373	0.8
267.11389	1.1
277.09802	1.1
278.06995	2.0
278.10327	0.7
279.07834	2.8
279.11386	2.1
285.12537	6.8
293.09375	7.2
293.13025	2.7
294.10138	2.5
295.10831	3.5
297.12485	1.2
306.10159	0.6
307.10883	4.1
309.12463	1.5
310.12616	0.5
337.08282	3.0
338.09113	0.6
339.09967	0.6
343.13120	0.6
357.15555	1.2
358.15573	2.9
373.17813	0.8
400.16553	3.6
401.17465	1.1
403.25067	0.8
412.16791	0.9
415.19290	0.8
416.19864	1.3
428.16083	1.2
442.17841	1.4
443.18649	1.7
444.19162	3.2
445.20053	0.7
447.22534	3.6
458.20950	4.5
460.19019	0.9
470.17572	1.4
487.17780	1.8
488.18298	9.7
489.18433	0.7
495.36676	0.8
502.19940	9.6
503.19983	1.3
507.24234	1.4
519.20245	0.9
520.21161	1.3
534.22528	10.9
535.22681	1.6
549.25177	11.1
550.25696	1.4
581.27765	8.8
582.28333	1.3
593.24231	5.7
594.24530	0.9
621.32233	0.8
625.26758	30.0
626.27100	3.8
639.34863	0.8
642.28729	0.6
657.28918	4.2
658.29193	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	10.6
61.98840	23.8
62.55328	1.3
63.32563	1.3
63.83073	1.2
64.74475	1.3
67.40762	1.3
71.01406	6.7
71.56252	2.1
78.95905	2.7
79.76675	1.2
80.05067	3.9
83.01413	2.3
83.05040	6.2
85.02940	3.2
87.00826	1.6
87.55042	1.4
89.02441	4.3
94.06634	11.1
95.05032	1.6
96.96040	8.2
101.02444	4.5
106.06628	2.2
107.03793	3.5
112.98570	1.9
113.02472	2.4
119.03518	1.6
120.08216	9.3
121.02935	1.6
122.06137	82.1
123.00893	1.9
123.06495	2.6
125.02462	5.8
127.47287	1.4
134.06126	3.1
137.02438	2.0
138.01971	4.8
138.05626	2.3
143.44881	1.5
145.02971	2.9
147.33408	1.6
150.05690	2.2
150.06863	6.3
151.00473	2.8
152.07188	20.3
160.04103	2.7
161.04584	3.5
162.06863	3.9
163.11296	2.8
165.12845	2.7
169.01413	6.0
170.80583	1.6
175.30124	1.4
176.08487	4.2
177.09229	10.8
179.03542	1.4
179.10741	5.4
183.13879	6.0
190.05087	2.1
193.12350	2.3
209.08893	2.0
209.11853	95.5
210.12152	5.8
211.13414	100.0
212.13715	5.7
223.08743	5.1
225.10361	3.0
227.12965	16.0
235.08357	5.0
237.10365	4.4
238.11095	2.2
239.11902	3.9
241.13371	2.3
243.15044	1.4
249.06769	1.5
249.10397	2.7
250.10899	1.8
251.08295	4.5
251.11879	5.1
253.09315	10.2
260.70627	1.6
263.08246	5.0
264.09015	5.8
265.09894	8.3
266.10483	1.5
267.11401	3.8
277.09882	2.8
278.10522	2.0
279.11353	12.0
280.12015	4.0
281.09290	2.2
283.10953	5.3
285.04044	8.2
285.12357	2.4
287.05289	1.7
291.11487	3.2
292.12216	2.6
293.09457	3.3
293.12802	1.6
294.10245	2.4
295.10828	5.1
295.14359	1.5
300.99878	1.8
301.12021	2.0
314.13010	2.1
325.11917	2.5
326.12906	1.4
330.16190	3.3
341.10593	3.1
342.12390	1.7
342.16174	2.5
343.13428	1.6
355.08377	3.1
355.13226	1.9
356.13913	2.7
357.14850	2.7
358.15518	2.6
359.16135	1.6
360.17233	2.5
372.17267	12.3
374.18600	1.7
386.15002	2.7
387.19485	2.3
398.15302	2.2
412.16528	1.9
413.17334	2.2
414.18304	5.9
415.19019	2.6
431.18329	2.6
440.15756	1.7
441.16867	2.1
447.22202	4.2
457.28537	1.7
458.17255	5.6
459.18106	6.5
459.27591	1.8
490.19803	2.9
491.20331	2.3
495.23950	1.4
495.36877	22.3
496.25537	1.5
503.16769	3.6
521.22308	3.9
534.18524	6.5
537.25153	15.7
538.25177	1.6
553.24445	4.1
563.23157	3.9
581.24133	55.6
582.24347	7.5
597.23633	1.8
607.22083	4.6
613.26532	4.4
621.33154	2.6
625.23145	36.2
626.23615	7.2
639.33765	3.7
657.25543	55.0
657.35114	8.2
658.25891	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	657.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70374	0.5
57.03406	0.5
59.01392	4.0
59.64750	0.5
60.92670	0.5
61.98784	2.1
62.35076	0.5
69.48145	2.9
69.48550	0.8
71.01348	0.8
71.79729	0.4
73.89646	0.5
96.95969	1.6
98.19844	0.9
101.02398	0.7
107.01334	0.7
107.03748	0.6
111.00800	0.5
113.72581	0.5
117.03403	0.9
119.05046	5.4
120.04551	2.4
121.05274	2.0
122.06122	6.8
123.00842	1.4
125.02458	2.5
132.04572	0.9
134.06139	2.8
135.04453	0.6
135.06845	0.9
136.05334	6.3
136.07684	10.4
137.02434	1.2
145.02945	3.1
149.06053	2.0
150.06807	2.2
151.00352	1.3
152.07176	2.8
153.01906	0.5
158.02428	0.7
161.07170	0.6
162.05521	0.7
163.04016	3.6
163.07657	0.9
164.08353	1.5
165.05600	0.8
165.09235	3.2
169.01424	4.8
171.11783	2.0
179.10760	0.7
189.10342	0.6
190.05121	2.5
198.09219	2.1
199.09953	1.4
209.11858	3.6
211.02487	0.6
211.13423	4.8
214.12392	11.3
227.08189	2.7
227.12840	0.6
228.08902	1.0
229.09802	4.6
230.11923	3.9
231.12225	0.7
239.11940	0.9
241.09833	6.6
242.10617	17.2
243.10873	0.8
256.12140	0.8
257.12976	84.6
258.13309	4.9
271.04620	0.8
283.11008	0.6
285.04117	0.7
300.11090	0.7
301.11954	100.0
302.12323	7.3
307.08563	0.6
329.23383	1.0
355.13007	5.5
356.13187	0.6
362.89474	0.5
432.13428	0.5
434.30759	0.6
449.32578	3.5
471.13223	2.2
477.32352	0.8
495.33536	3.8
581.24396	0.6
585.23804	0.6
657.38147	22.7
658.38171	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	657.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35111	0.3
51.10774	0.3
54.68607	0.3
56.47895	0.3
56.75689	0.3
58.61498	0.3
59.01385	3.6
61.98777	1.3
67.01855	0.8
69.22968	3.2
69.45768	0.5
71.01333	0.7
71.66758	0.3
71.69460	0.3
81.83382	0.3
85.02946	0.4
88.58767	0.4
88.98775	0.6
96.96028	1.8
101.02416	0.5
107.01357	0.7
107.03764	0.8
108.04482	0.4
113.02452	0.4
117.03397	0.5
119.05038	4.6
120.04576	1.9
121.05353	2.0
122.06139	6.6
123.00834	1.3
124.01588	0.3
125.02471	2.3
132.04570	0.5
133.15138	0.3
134.06140	1.8
135.04482	0.5
135.06857	1.2
136.05327	5.3
136.07692	11.0
137.02405	0.5
139.00320	0.4
139.03941	0.5
145.02960	2.8
146.06044	0.4
148.07689	0.6
149.06059	1.2
150.06787	1.3
151.00313	1.1
151.13428	0.3
152.07195	2.4
153.01915	0.4
154.01123	0.3
158.02406	1.0
161.07198	1.3
162.05536	0.6
162.06778	0.4
163.02931	0.3
163.04037	3.1
163.07547	0.6
164.08400	0.8
165.05446	0.5
165.09256	2.5
169.01454	3.3
171.11783	2.2
179.10756	0.6
186.09154	1.0
189.10483	0.4
190.05110	2.1
192.67134	0.4
195.06662	0.4
198.09314	2.0
199.10124	1.6
209.11929	2.6
211.13400	2.6
214.07492	0.8
214.12381	11.1
225.06708	0.5
226.07468	0.8
227.08316	2.4
228.08951	1.4
229.09857	4.5
230.10004	0.5
230.11932	4.5
239.11830	0.4
241.09851	7.8
242.10616	16.2
243.10909	0.8
256.12140	0.6
257.12970	82.8
258.13321	5.4
300.11139	0.8
301.11951	100.0
302.12292	6.4
307.08203	1.3
329.23398	0.9
355.13040	5.6
356.13232	0.4
434.30289	0.3
449.32703	2.4
471.12888	2.0
477.32315	0.9
495.32822	4.1
581.24567	0.5
625.23511	0.6
657.24786	0.5
657.38416	16.5
658.38940	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	657.182
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.8
59.66951	1.1
71.01389	4.3
71.57008	1.3
75.90845	1.1
85.02952	2.7
87.00877	1.6
89.02448	1.3
93.03453	2.2
95.01389	1.7
96.96001	3.2
97.02945	1.5
101.02440	2.5
107.01403	8.3
108.02153	2.1
109.02935	2.0
111.00897	2.5
113.02404	1.4
116.92857	1.3
117.03493	1.4
121.02937	1.5
123.00898	9.8
123.04555	1.8
124.01636	1.3
125.02464	47.6
126.02768	1.2
134.03720	1.9
135.04552	2.9
136.01671	30.2
137.02473	15.0
139.00383	2.9
140.01149	1.6
145.02928	5.4
147.04439	1.3
149.02431	1.5
150.03230	1.4
151.00420	6.5
151.04031	35.2
152.04471	1.2
152.42650	1.1
153.02043	1.3
159.04483	2.0
160.01651	1.7
160.05254	1.7
163.04005	2.7
168.00650	3.4
169.01448	60.9
170.01758	1.8
175.03998	5.7
177.05589	2.8
179.03470	2.4
183.03029	1.5
189.05620	1.2
209.08209	3.6
211.02487	1.2
214.89056	1.0
241.05144	2.3
256.07404	1.8
271.09799	2.1
280.07288	1.0
281.06659	3.5
285.04156	2.0
295.46106	1.1
301.00009	5.0
307.08337	2.5
313.02261	1.8
313.05704	30.3
313.10904	7.0
337.09317	5.9
342.81665	1.1
343.11877	19.9
640.37268	1.2
657.18268	100.0
658.18579	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70290	0.9
59.01387	56.5
62.72587	0.7
71.01405	1.5
71.56441	1.6
72.01520	0.8
78.95920	1.4
88.98816	1.1
89.13959	0.8
90.95525	0.9
95.17276	0.8
96.96022	25.2
96.96965	1.3
99.92603	1.5
108.68304	0.9
116.92881	14.4
119.05077	0.8
137.02469	3.3
139.66782	0.9
151.03976	0.9
161.02463	2.9
165.01945	38.9
166.02292	1.7
169.01454	1.6
176.04785	3.5
179.03503	12.8
180.04301	28.8
181.04628	1.2
191.07175	1.7
194.05844	9.2
195.06639	50.1
196.06967	1.2
198.55893	0.7
206.73792	0.8
209.08212	24.2
210.05359	8.4
225.07698	100.0
226.08012	3.9
251.58224	0.8
300.99997	1.6
387.14771	1.5
434.94785	0.9
435.16525	8.1
657.18353	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99794	0.6
59.01376	1.0
64.37003	0.5
69.03443	0.6
71.01389	2.9
71.56388	0.8
85.02980	0.6
95.01398	0.8
96.96037	0.7
97.02952	0.9
101.02457	1.0
107.01429	3.4
111.00972	0.7
113.02514	0.9
123.00899	4.3
125.02459	33.9
126.02776	1.4
128.10825	1.3
130.07771	1.2
130.08752	23.5
139.00360	2.0
140.01164	1.1
151.00386	3.9
151.04042	0.6
153.01762	0.6
163.40666	0.5
164.47688	0.6
168.00642	1.5
169.01439	63.4
170.01807	2.3
172.09808	23.0
173.10138	0.8
179.03482	0.6
211.02527	0.8
216.08826	0.7
223.02478	0.9
241.03542	3.8
300.99927	0.7
313.05661	17.0
313.09326	0.9
314.05994	0.9
341.91348	0.7
439.08807	100.0
440.09195	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	656.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.9
61.98827	7.7
63.02390	1.1
71.57676	0.9
82.04378	0.6
96.96020	7.8
99.57861	0.7
101.02464	0.9
101.78337	0.7
107.01408	2.2
109.02984	1.5
117.03467	4.8
119.05038	3.0
121.02986	1.8
122.03693	1.1
123.00936	0.8
123.04500	0.6
125.02489	1.4
133.02963	3.8
137.02426	0.9
145.02963	11.2
146.03319	0.8
149.02426	1.3
151.00400	3.9
163.04005	1.5
167.81400	0.6
169.01466	2.6
175.02470	0.8
175.04005	1.9
199.03984	1.8
217.05061	1.4
227.56436	0.8
241.04979	1.0
256.03848	1.6
257.04694	1.1
284.03293	16.0
285.04053	100.0
286.01651	0.9
286.04395	5.3
300.99936	1.5
307.08261	2.8
308.08658	1.2
347.14960	2.5
348.15271	1.5
379.53223	0.8
447.09464	1.3
593.13031	78.6
594.13519	9.4
638.60004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.3
59.01389	11.1
61.98853	6.8
66.76986	1.3
69.48415	1.3
70.30148	5.5
71.01391	7.9
83.01385	3.8
83.05042	2.4
85.02947	3.0
87.00886	1.7
87.03259	1.4
89.02443	4.4
95.05022	2.3
96.95988	1.8
97.02922	3.1
98.20606	1.5
99.00852	1.6
101.02438	7.1
107.01392	2.6
109.06615	9.4
111.00915	1.4
111.08189	1.7
113.02449	2.4
121.06551	1.4
125.02406	3.0
133.02966	7.6
135.04568	2.2
135.06908	1.2
145.05063	1.6
149.02473	1.4
149.06079	1.4
151.00377	6.2
161.04552	3.4
161.09697	1.7
163.11282	6.2
167.01172	6.8
169.01454	2.1
171.10298	3.0
175.04070	2.0
179.10800	2.1
181.12375	2.9
183.13889	4.0
185.11833	6.2
199.03996	1.5
201.01891	1.6
201.52052	1.2
207.10289	26.1
209.11859	3.0
211.13416	47.4
212.13657	1.9
221.15405	1.5
225.11343	17.9
235.08279	3.9
251.12901	2.2
253.09267	5.2
266.53360	1.3
268.39627	1.4
285.04068	74.5
286.04370	8.6
287.04944	1.4
310.96411	1.6
317.19644	1.8
339.23218	3.4
355.22629	1.5
373.23941	4.2
375.21649	2.1
383.22296	11.2
391.24948	3.3
401.23303	18.5
402.23663	2.1
419.24539	9.3
457.26956	1.5
461.20148	5.2
469.21890	1.3
487.34329	100.0
488.34656	12.9
493.35547	4.2
503.23462	3.6
609.32574	4.0
613.54266	1.4
619.31525	4.6
627.33862	2.0
637.32349	36.9
638.32806	7.8
655.22925	2.5
655.33685	24.5
656.34949	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88313	0.8
56.48958	1.1
59.01382	3.8
61.98824	3.5
70.81940	1.7
70.82276	2.0
71.01400	2.1
89.02445	1.8
95.79446	0.9
96.12423	0.9
96.96027	2.0
98.00265	1.0
101.02470	1.2
109.06593	3.1
113.02452	1.6
125.02415	1.7
150.06894	12.1
163.07649	1.9
163.11256	1.7
164.08394	2.9
167.01219	8.0
179.10736	4.4
194.08182	1.1
207.10295	7.1
209.11807	3.0
211.13406	12.5
225.11346	9.3
235.08290	1.7
264.15637	1.0
300.99854	1.3
313.23831	2.7
368.66489	1.1
383.22229	1.3
391.24692	1.2
401.23157	2.6
419.24387	2.3
457.29462	4.2
461.20142	1.8
475.33820	1.7
487.34332	100.0
488.34814	13.2
492.34430	1.2
493.35519	6.8
637.31989	5.6
655.40179	13.5
656.40765	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.29353	0.2
59.01384	4.1
61.98835	6.3
71.01392	3.1
71.57665	0.3
72.99313	0.6
73.02941	0.6
78.95925	0.3
80.02689	1.0
81.03464	1.2
83.01398	0.7
83.05031	3.9
85.02944	1.2
87.00880	1.1
88.98801	0.5
89.02460	2.0
93.03479	0.4
95.01395	0.4
95.05029	0.8
96.96006	2.8
97.02953	0.5
97.06628	0.6
101.02443	2.7
106.06619	0.3
107.01385	0.5
107.05004	0.3
109.02988	0.4
109.06610	1.6
111.00906	0.4
111.04502	0.3
113.02469	1.6
116.92831	0.5
119.03521	0.6
121.02966	0.6
121.06625	0.3
122.03777	0.4
122.06115	1.2
123.00883	0.6
123.08154	0.5
125.02438	1.1
125.06093	0.5
125.09737	0.9
133.02925	0.6
134.06151	0.3
134.78490	0.2
135.04564	0.9
135.08168	1.0
136.05309	1.4
137.02454	0.5
139.00401	0.3
142.53601	0.3
145.02954	0.4
145.05023	0.3
148.49081	0.2
149.02425	0.2
149.06114	0.5
149.09726	0.4
150.06847	3.0
151.00372	1.1
151.07515	0.3
152.07164	2.0
161.04565	1.0
161.05888	0.2
161.09674	0.5
163.04031	0.3
163.07664	0.8
163.11295	3.8
164.08400	0.2
165.05498	0.3
165.09215	1.3
165.12845	2.0
166.51691	0.2
169.01440	1.2
171.10310	2.1
178.05075	1.0
178.51942	0.2
179.10796	1.4
181.12323	0.9
183.01242	0.3
183.13930	0.3
185.11896	1.5
191.10806	0.8
197.02829	0.6
205.12418	0.3
207.10284	3.7
209.11838	100.0
210.12175	4.6
211.13380	6.0
212.13776	0.3
221.15407	0.3
223.98640	0.3
225.11343	2.2
227.12883	5.9
231.13901	0.3
233.11877	0.6
235.08250	2.0
247.13461	1.3
249.06746	0.3
249.10361	0.7
249.14983	0.7
250.10718	0.3
251.12860	0.3
253.09317	5.1
254.09731	0.3
262.07523	0.6
263.08209	1.8
265.14444	0.5
270.98804	0.3
277.09854	0.9
278.10565	3.8
279.11121	0.5
284.03320	0.4
285.04074	6.7
285.10968	0.3
286.04492	3.0
287.04718	1.8
322.09415	0.4
327.21689	0.9
339.23340	0.9
355.22961	0.3
357.24292	0.4
361.16629	0.9
365.21854	0.4
373.23843	0.7
383.22525	1.8
391.24609	0.4
401.23361	4.7
402.23703	0.5
419.24341	2.6
420.24539	0.3
443.18915	0.5
445.20871	1.2
455.26721	0.5
457.16425	0.6
461.20123	0.5
478.32892	0.4
488.18286	0.3
492.34906	0.4
493.35867	4.7
494.36020	0.6
499.22162	0.3
501.15408	3.9
502.16052	0.6
503.23233	2.0
535.23529	0.3
579.22711	0.3
593.56500	0.3
609.32813	0.4
619.31299	1.1
623.21454	3.9
624.22040	0.7
637.32318	8.8
638.32916	1.1
655.22491	1.6
655.34863	5.0
656.23975	0.5
656.35028	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94017	1.1
55.37139	1.3
57.03447	2.3
59.01387	18.9
69.03461	2.2
69.31377	7.5
71.01393	16.2
72.92965	1.1
73.02937	3.0
81.03474	2.2
83.01382	2.6
83.05037	4.4
85.02965	4.3
87.00897	3.3
87.37524	1.0
89.02454	8.2
95.01392	2.1
95.05029	2.5
97.02956	5.1
97.06616	1.6
99.00892	2.8
101.02454	11.2
106.04255	1.4
109.06607	21.1
113.02441	4.7
119.03511	2.4
121.06602	1.9
123.04589	1.7
125.02457	2.3
125.09721	3.1
135.08182	4.2
143.03380	1.3
145.05083	2.3
161.04539	4.8
161.09703	2.4
163.11320	12.4
165.12927	1.4
171.10336	2.1
179.05621	1.9
181.12347	4.6
183.13968	8.8
185.11848	13.3
193.12392	2.3
205.12381	3.0
207.10286	60.5
208.10616	1.7
209.11852	76.0
210.12198	1.6
211.13417	100.0
212.13715	5.6
221.15492	3.9
223.13382	2.2
225.11337	30.3
226.11629	1.8
227.12895	5.6
231.13943	2.0
233.11906	2.0
235.08226	6.3
246.01727	1.3
249.15002	1.6
251.12843	4.4
253.09285	12.8
301.00162	1.7
314.00436	1.5
321.22455	1.2
329.24869	2.8
339.23306	6.2
355.22656	3.4
357.24338	3.1
365.21008	1.8
368.33249	1.3
373.23953	7.7
375.25510	1.7
383.22293	16.1
384.22705	1.3
385.03671	1.5
391.24945	7.4
392.25479	1.6
401.23364	38.7
402.23642	3.2
418.04599	1.5
419.24426	14.9
443.19479	3.8
445.20901	1.3
447.22238	2.3
461.20667	5.8
475.26981	1.8
493.28006	1.5
589.32275	1.2
609.32654	6.1
611.30377	1.7
619.31091	7.8
627.33673	1.9
637.32312	71.7
638.32965	9.1
655.33386	37.5
656.33850	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	655.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53188	1.1
59.01387	100.0
61.94831	1.2
61.98836	2.0
62.22508	1.1
69.03468	1.5
69.44035	1.2
70.57523	3.7
71.01374	1.8
96.99303	2.5
97.02956	1.5
117.00454	1.6
117.03462	4.1
119.05025	1.6
120.58878	1.1
128.86389	1.2
137.77769	1.1
137.80803	1.2
141.01717	78.6
142.05130	1.8
145.02972	13.4
199.74635	1.4
207.10347	1.4
211.13368	5.6
225.11232	2.6
275.06241	5.3
277.21713	2.6
300.99857	3.4
322.98105	2.6
359.21634	1.6
364.07706	1.3
391.19714	3.0
535.27612	5.0
589.12958	1.3
655.36115	15.2
655.87531	1.8
656.36804	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	655.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68354	0.8
55.20978	0.6
55.51412	0.6
59.01389	1.7
61.98833	1.3
67.01895	0.8
68.07418	0.6
69.03464	3.9
71.01385	2.6
71.03027	1.3
79.01909	1.1
81.03443	0.8
83.01393	0.7
85.02950	1.5
93.03437	0.7
95.01385	1.6
96.96014	3.3
97.02982	1.5
101.02432	1.5
107.01395	9.0
108.44472	0.6
109.02969	2.4
111.00867	1.8
113.02458	2.1
119.04974	0.8
120.54688	0.6
121.02975	5.7
121.06564	0.5
122.03803	1.5
123.00918	7.1
123.04541	5.5
124.01745	1.0
125.02462	49.2
126.02772	1.3
127.00326	0.8
135.04521	1.3
136.98824	1.1
137.02469	4.0
139.00381	3.3
140.01195	2.1
141.01979	0.9
145.03082	0.9
147.04536	2.3
149.02469	0.7
151.00398	6.3
159.04558	0.7
165.01881	0.7
168.00690	2.1
169.01437	61.4
170.01768	1.7
171.04517	1.1
175.04008	2.9
176.04788	15.6
189.05669	0.8
209.11887	0.9
211.02458	1.9
255.03011	2.1
263.07281	1.2
264.07870	0.7
265.08606	0.9
283.02502	2.4
285.03998	1.2
293.08325	2.1
311.09256	2.0
313.05676	39.9
314.05899	1.9
323.09338	0.9
341.10327	49.1
342.10687	3.9
363.40674	0.7
422.52856	0.8
446.08426	2.0
493.11517	1.6
499.28662	0.7
503.15701	1.4
523.58093	0.7
606.21661	0.7
655.16736	100.0
656.17053	12.9
656.27722	1.0
681.62500	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81693	0.4
57.00956	0.4
59.01387	11.6
63.95574	0.3
69.03461	0.5
71.01384	2.0
71.03511	0.8
81.03455	0.4
83.81602	0.4
85.02962	0.6
87.00845	0.4
89.02446	2.8
95.01410	1.1
97.02971	0.9
101.02473	1.4
113.02473	1.3
119.03541	0.9
125.02463	46.3
126.02804	0.9
130.38077	0.4
137.02449	0.5
143.07092	0.6
153.18564	0.4
153.94591	0.4
161.65111	0.5
164.98355	0.5
165.01979	0.7
169.01443	100.0
170.01807	2.9
172.13443	0.4
179.05655	0.8
191.03522	0.4
204.78740	0.4
209.00888	1.2
245.00992	0.6
254.54735	0.4
257.00580	0.4
261.41690	0.4
273.00418	0.5
275.01974	0.4
298.98456	0.4
299.99081	0.5
301.00031	2.7
322.98062	0.7
323.13510	19.4
324.14056	0.9
328.18777	0.4
331.06741	36.6
332.07098	2.4
479.04517	0.8
481.05960	0.4
655.06653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38336	4.2
53.74018	4.9
57.03435	5.6
59.01395	24.9
61.98841	66.6
69.58925	3.9
71.01376	14.9
73.02963	5.7
75.00906	5.0
77.48798	4.8
78.95926	8.7
82.95397	4.6
83.05040	5.5
85.02930	9.3
89.02448	6.3
95.01411	5.9
96.96021	18.1
100.96197	5.2
101.02465	13.4
113.02467	6.8
117.03474	11.9
125.02450	18.0
139.00354	5.6
145.02948	28.5
161.04607	7.3
163.07634	5.2
169.01419	11.9
171.10306	7.4
209.11896	10.7
235.18767	5.0
300.99945	5.8
429.71024	5.7
439.32257	5.2
455.27866	7.5
491.34497	17.3
508.33337	5.1
635.31030	8.2
653.31451	23.3
653.43762	100.0
654.32745	6.3
654.44110	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	655.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02230	0.2
98.20621	0.7
99.92597	9.8
100.92593	0.3
103.91969	0.2
114.93423	0.5
116.92873	100.0
116.98318	0.4
117.92883	3.8
125.02486	0.3
136.01572	0.2
137.02486	1.6
149.02458	0.8
150.03264	0.3
151.04008	0.4
169.01448	1.0
197.25937	0.2
229.30075	0.3
247.02460	0.3
315.08774	0.4
341.06720	0.6
359.07614	1.5
414.44583	0.2
522.13947	0.2
537.19940	1.4
619.11316	0.9
655.18781	5.2
656.19153	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31475	0.1
59.01388	0.2
61.98839	100.0
65.21804	0.1
69.78609	0.2
71.41193	0.3
72.84472	0.1
74.54585	0.2
75.04949	0.1
134.34122	0.1
139.29588	0.2
181.07246	0.4
336.52521	0.2
445.92087	0.2
453.34015	0.4
471.34988	2.0
472.35309	0.4
473.35944	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37693	0.7
55.26157	0.9
66.02490	0.8
70.30091	2.0
70.30492	1.6
80.19395	0.8
94.49125	0.7
104.39291	0.8
117.03481	20.6
119.05062	6.0
121.03027	1.1
126.78945	0.9
138.13277	0.8
145.02972	71.5
146.03273	2.3
163.04034	1.5
203.33260	0.8
223.57878	0.8
246.10451	0.8
453.33789	1.2
497.32883	1.0
617.38525	100.0
618.38910	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	653.3759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.04171	0.3
57.03439	1.2
57.83964	0.3
58.00610	1.8
59.01387	38.0
61.98849	2.0
69.03459	2.4
70.57083	0.6
70.57437	0.9
71.01390	36.1
72.99326	3.7
73.02959	6.0
75.00883	0.9
81.03479	1.8
83.01398	3.9
85.02962	7.3
86.00105	0.7
87.00890	9.3
89.02456	32.7
90.02811	0.5
91.04005	0.8
93.03474	0.6
95.01405	2.7
97.02959	6.4
99.00890	2.2
101.02453	30.3
102.02799	0.7
103.00369	0.4
106.15501	0.4
109.02966	0.8
111.00879	0.8
111.04522	1.3
113.02464	14.3
115.04008	0.8
119.03511	10.5
121.02991	1.0
123.00871	0.4
123.04475	0.5
125.02463	12.7
127.04043	0.8
131.03490	1.2
133.05038	0.7
134.99008	0.3
137.02429	0.9
139.03979	1.4
141.01913	0.8
143.03522	5.8
145.02960	1.2
149.04552	1.1
161.03282	0.5
161.04567	7.9
163.04068	0.3
167.03491	0.8
169.05103	0.5
171.02991	0.4
179.05626	6.3
181.04927	0.4
181.07118	0.5
185.04550	0.5
199.68329	0.4
217.07149	1.4
219.05147	0.4
221.06673	2.7
235.08235	14.4
236.08675	0.5
245.06657	0.7
253.09315	3.0
255.23312	100.0
256.23672	6.0
263.07761	1.6
269.24738	0.7
277.09207	0.6
287.07733	2.8
305.08798	4.1
323.09851	2.1
361.11340	0.6
379.12543	1.3
397.13535	85.7
398.13843	5.4
415.14606	31.1
415.63977	0.4
416.14905	2.0
458.87820	0.4
471.34897	3.7
472.35532	0.8
473.35526	0.6
593.33594	0.5
653.36658	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22019	1.7
71.57185	1.7
78.95907	9.4
86.15379	1.7
117.03484	18.7
119.05048	4.3
145.02977	75.4
157.08684	9.2
177.69414	2.4
181.07146	3.4
204.59067	2.1
219.32567	2.0
228.20387	1.9
247.44223	1.8
277.21747	6.3
471.35144	9.4
529.84045	1.9
617.38550	100.0
618.38647	14.5
653.30048	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	653.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74634	0.9
66.32802	0.9
69.52601	6.8
72.20746	0.9
78.95908	2.9
114.75304	1.1
117.03490	17.4
119.05038	5.6
121.02974	1.6
145.02968	63.8
146.03297	2.2
152.99625	1.6
155.95248	1.1
158.44356	1.0
163.03906	1.2
168.40059	1.1
195.70349	0.9
241.01260	1.3
255.23277	2.5
277.21671	1.6
281.85876	1.1
290.43225	1.0
443.87399	1.1
497.33151	1.2
571.29132	2.1
617.38531	100.0
618.38678	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	653.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20336	0.3
54.86948	0.3
59.01391	1.5
61.98810	0.4
62.96410	0.6
71.45710	0.6
78.95914	100.0
88.59062	0.3
113.04239	0.3
143.54362	0.3
149.00110	4.7
152.99673	0.4
156.75908	0.3
158.33572	0.3
179.01169	0.3
205.15985	2.1
209.11852	0.4
255.23473	0.6
276.58890	0.3
277.21698	0.6
285.12631	4.3
355.16772	2.5
356.16724	0.4
385.17902	1.0
417.12143	0.5
447.13419	5.7
448.13837	0.6
647.69336	0.4
653.30157	53.7
654.30511	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	653.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01711	0.4
59.01388	2.6
61.98838	8.9
62.14152	0.4
66.83195	0.5
68.77088	0.4
71.01398	1.4
71.57076	0.5
71.57520	0.6
72.99327	0.6
78.95932	0.7
79.95686	0.4
83.01389	0.8
85.02979	0.6
87.00904	0.5
88.98801	0.7
89.02454	0.5
92.69740	0.4
93.03454	2.2
95.01399	0.6
95.05021	0.4
96.96021	3.9
99.00873	0.4
101.02451	0.7
107.01418	0.4
108.02199	0.9
109.02973	5.9
113.02471	0.8
117.03492	0.5
119.05062	0.9
121.02966	13.4
122.03751	9.3
123.00875	0.8
123.04510	1.5
124.01666	1.2
125.02443	2.1
129.03453	0.7
133.02963	1.4
134.03732	0.8
135.04567	3.5
136.01714	2.1
136.05318	1.9
137.02466	4.5
137.06110	0.9
145.02916	0.9
146.03610	0.5
147.03375	0.5
147.04546	8.8
148.05202	0.5
149.06070	1.5
150.03265	0.5
150.06833	0.8
151.00365	1.7
151.04042	1.6
153.01958	1.7
154.02766	2.5
159.04462	0.6
161.04720	0.5
161.06093	2.1
163.04016	1.1
164.04781	1.0
165.05583	22.5
166.05917	0.8
169.01387	2.2
175.07643	0.8
177.05626	0.8
178.06317	0.6
179.03621	1.0
179.05696	0.8
179.07146	8.0
179.10718	1.0
180.04265	0.8
180.07344	0.5
181.05028	0.5
191.07120	0.6
199.03937	0.4
201.01828	0.6
209.08171	0.8
209.11871	1.2
223.09735	1.0
269.04678	0.6
284.03247	3.4
285.04071	20.3
286.04340	1.3
286.39124	0.4
298.12064	0.5
313.14487	0.9
315.12445	1.9
316.13055	0.7
343.11722	3.3
344.12384	0.8
346.14188	8.6
347.14465	0.8
361.16589	100.0
362.16937	8.9
447.09433	1.1
489.21582	0.6
491.30145	1.7
492.36206	0.4
502.39691	0.4
530.32990	0.5
609.19739	7.1
610.20782	0.9
653.18378	3.4
653.33295	2.3
674.29016	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30892	0.2
59.01394	1.1
61.98837	9.0
65.00330	1.0
68.99555	0.2
71.01378	0.6
71.57421	0.3
74.99084	0.2
82.95473	0.2
83.01395	0.6
85.02944	0.2
89.02428	0.3
93.03481	0.3
96.96029	1.3
101.02484	0.2
107.01421	1.7
109.02959	0.3
113.02454	0.5
119.05027	0.3
121.02954	0.5
123.00900	0.3
125.02460	1.0
129.25464	0.3
132.02005	0.2
133.02962	7.9
135.04517	0.4
136.01668	0.2
136.05266	0.2
137.02481	0.3
145.02948	0.5
145.79698	0.2
147.04459	0.2
149.02463	1.4
150.06921	0.3
151.00377	5.0
151.03967	0.4
152.00732	0.3
161.05977	0.2
163.03976	0.2
163.07640	0.2
169.01430	1.4
171.04564	0.2
171.10210	0.3
175.04004	2.6
179.10834	0.3
185.06099	0.3
189.05617	0.2
197.06000	0.3
198.03310	0.2
199.04028	1.9
201.01903	0.9
209.11934	0.4
213.05597	0.4
215.03563	0.3
217.05049	1.6
235.13449	0.2
241.05032	0.7
243.02956	0.5
255.03021	0.3
256.03741	0.5
257.04587	0.3
267.02795	0.3
284.03265	1.1
285.04062	100.0
286.04425	6.0
300.99893	0.3
303.48178	0.2
343.11874	0.6
447.09308	1.7
448.09970	0.2
455.27805	0.3
537.26166	0.2
609.19666	3.6
610.20197	0.7
615.32843	0.3
653.18799	4.9
653.31702	1.5
654.19452	0.7
654.33130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	8.0
61.98827	2.4
71.01387	4.3
71.56828	0.6
71.57201	0.8
85.02957	1.3
89.02462	3.3
95.01393	1.6
96.96020	6.8
97.02918	0.8
101.02462	2.5
107.01407	3.5
111.00877	1.5
113.02448	2.2
119.03526	1.4
119.05040	1.0
123.00900	5.7
123.04530	0.9
125.02468	15.2
128.10834	2.4
130.08754	100.0
131.09090	2.6
137.02469	0.9
138.86259	0.7
139.00414	1.5
140.01143	1.8
145.02975	2.9
151.00391	3.3
152.01077	0.9
154.08737	0.9
154.99658	0.7
161.02544	1.4
168.00670	1.7
169.01440	18.8
172.09755	4.7
195.06638	1.2
207.03140	0.8
211.02458	3.5
221.09810	1.0
247.02187	0.7
271.04688	3.9
273.00504	1.0
275.02029	1.4
300.99921	7.8
302.00446	1.4
320.18643	2.7
338.19513	0.9
341.84399	0.7
345.09811	1.1
387.16739	1.0
403.77634	0.7
451.50244	0.8
457.52261	1.3
479.15652	4.4
500.25079	35.7
501.25418	2.4
521.16785	3.0
652.26166	75.6
653.26648	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	651.412
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
51.28783	0.7
51.40246	0.7
52.09869	0.7
55.31694	0.7
58.00581	1.0
59.01383	13.9
61.98833	2.5
64.17302	0.8
67.13159	0.9
67.14411	0.8
69.54095	0.8
71.01388	14.6
71.04063	0.8
71.56621	1.0
72.94032	0.7
76.05957	0.8
78.95490	0.9
78.95928	2.5
83.01382	0.9
85.02953	1.3
87.00894	1.9
89.02454	21.4
96.96008	1.6
97.06594	2.4
101.02458	10.1
113.02470	3.7
119.03508	5.3
121.02962	3.8
123.04533	1.5
131.03549	1.5
133.02968	2.0
135.04495	1.9
143.03493	1.8
145.02956	1.5
149.04587	1.9
152.99609	1.5
161.04573	3.3
178.95053	1.6
179.03494	1.1
179.04016	1.1
179.05626	10.9
206.01569	0.8
226.51689	0.8
255.23375	1.7
294.30133	0.9
379.96249	0.8
391.30209	4.2
398.48975	0.9
405.31586	2.2
407.33200	6.9
423.28946	1.5
441.33704	1.3
451.32272	8.7
453.33771	44.5
454.34042	4.4
469.33005	2.4
471.34830	100.0
472.35263	12.2
497.32712	4.3
553.35162	4.1
582.22040	0.9
591.29016	1.3
603.81482	0.9
608.60040	0.9
619.36011	1.2
633.37897	5.8
634.38147	1.2
651.38684	4.5
684.70880	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4118
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
58.00597	0.5
59.01382	9.5
60.40176	0.4
61.98850	3.2
65.35826	0.4
69.42544	1.5
69.42983	1.6
71.01387	12.0
72.99302	0.5
73.02934	0.6
82.36272	0.5
83.01386	0.7
85.02969	0.4
87.00892	0.9
89.02451	15.5
96.96008	1.2
101.02450	7.4
113.02460	3.3
119.03500	3.1
121.02938	0.5
131.03474	1.2
133.02972	0.5
135.04520	0.9
137.02498	0.5
143.03497	1.8
149.04544	1.0
156.91628	0.6
156.97804	0.7
161.02417	0.4
161.04616	1.9
178.89745	0.7
178.95114	0.5
179.05615	9.5
179.07184	0.5
182.33823	0.5
213.01558	0.4
267.87219	0.4
294.66635	0.5
453.34070	0.5
471.34818	100.0
472.35126	12.8
473.35526	0.6
497.32678	1.1
514.98663	0.5
553.35101	0.9
591.29047	0.6
633.38092	1.5
651.40045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.412
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
50.69994	0.3
51.09080	0.3
55.18298	0.3
58.00600	0.6
59.01386	12.3
61.98836	0.8
69.28011	2.5
69.28416	0.7
71.01392	15.2
72.99310	0.6
73.02952	0.5
83.01405	0.6
85.02970	1.1
87.00883	0.4
89.02460	19.5
96.96027	1.0
98.20663	0.9
101.02458	7.6
101.88974	0.3
107.61839	0.3
113.02445	4.8
119.03513	3.7
122.01111	0.4
125.02402	0.4
131.03520	1.5
143.03548	2.3
145.02982	0.4
149.04579	1.1
156.91536	0.4
161.04599	2.2
170.97649	0.4
179.05637	12.3
393.31686	0.4
405.32300	0.5
423.32733	1.0
425.33905	0.4
439.32281	0.4
469.33255	2.6
471.34836	100.0
472.35199	11.1
472.42029	0.4
478.73892	0.4
553.34772	0.5
571.71014	0.4
625.58258	0.4
651.39117	0.5
668.35291	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73671	0.5
59.01381	1.1
61.98827	0.8
67.35799	0.5
71.13109	0.5
71.13429	0.5
93.03470	0.7
96.96037	0.8
117.03475	24.6
119.05038	22.6
119.05914	0.8
120.05371	0.5
121.02966	69.1
122.03300	1.7
123.04541	0.5
135.04535	0.5
145.02965	100.0
146.03300	3.3
163.04021	7.6
163.05077	0.2
164.04419	0.5
175.45520	0.4
181.05084	13.6
182.05478	0.4
231.74376	0.4
373.45868	0.4
439.32419	0.6
455.31674	1.0
467.31348	0.4
469.33170	4.0
470.33688	0.6
471.35162	2.2
473.36215	0.5
487.34332	5.4
488.34552	0.8
513.31995	3.0
633.37982	99.8
634.38336	17.5
651.39124	3.0
652.39117	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.7
61.98826	2.3
69.45162	5.4
71.01373	1.2
78.95908	1.3
88.68771	0.8
96.96024	4.2
113.25642	0.7
113.26451	0.8
117.03490	9.6
118.31538	0.7
119.05051	4.8
121.02972	100.0
122.03319	2.6
125.18452	0.8
135.04526	1.2
145.02971	37.0
145.04124	1.8
146.03317	2.6
162.83928	2.2
163.04041	3.1
164.83621	1.3
171.10222	0.7
181.05034	0.8
206.78363	0.7
300.99911	0.8
455.31976	1.3
469.33359	2.9
487.34415	8.7
488.34982	3.0
489.34708	1.4
529.35175	1.7
530.36469	1.0
569.34503	6.2
579.27332	1.1
633.38013	28.4
634.38245	4.8
650.79913	0.8
651.19348	0.9
651.28870	2.1
651.38818	12.3
660.18994	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4115
Annotation	Sutherlandioside B
Peak:m/z	Relative Intensity
56.91567	0.4
58.00602	1.0
59.01383	19.0
61.98856	0.4
68.21758	0.4
69.24998	4.0
71.01386	20.2
72.20690	0.4
72.99306	1.1
73.02922	0.5
82.62660	0.4
83.01398	0.8
85.02954	1.8
87.00867	1.6
89.02452	29.6
90.02792	0.7
96.96021	0.7
101.02451	9.7
104.26665	0.4
113.02465	6.1
119.03502	4.9
131.03499	1.6
143.03465	2.4
149.04573	1.5
161.04562	3.3
179.05621	14.2
339.48611	0.5
471.34805	100.0
472.35196	12.3
553.34918	0.9
651.40808	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98836	4.2
70.48510	0.7
71.01382	2.7
71.44777	0.7
71.57008	1.1
78.09766	0.7
78.95917	1.2
82.38206	0.7
85.02960	0.7
96.96052	0.8
98.86182	0.8
108.29254	0.8
121.02988	1.3
124.52456	0.7
129.59598	0.7
141.01717	68.0
162.83946	1.2
164.83627	0.7
169.01445	2.2
300.99976	1.0
471.34683	2.7
487.33929	1.4
489.32495	2.3
509.29654	5.1
531.27277	1.2
569.33862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81904	0.3
59.01384	1.4
59.70958	0.3
61.68736	0.3
61.98837	1.6
64.15116	0.3
71.04249	0.3
71.57441	0.5
72.99317	0.5
78.95885	0.4
86.04295	0.3
93.03470	0.4
96.96028	0.9
108.02139	0.4
117.03480	21.8
118.03809	0.5
119.05036	21.0
120.05354	1.0
121.02968	66.3
122.03301	1.5
131.43591	0.3
133.03040	0.4
134.03748	0.4
135.04532	1.6
145.02966	100.0
146.03299	3.7
162.83925	0.9
163.02739	0.7
163.04022	9.1
164.83566	0.4
181.05075	15.0
310.83728	0.4
455.31854	1.2
456.84900	0.4
460.70160	0.4
467.31741	0.9
469.33234	6.4
471.34882	4.4
472.35263	0.9
473.36334	1.6
487.34348	5.5
507.38278	0.4
513.32281	2.7
529.35321	0.7
569.34686	1.1
633.37982	93.6
634.38348	15.3
651.28534	0.7
651.39020	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	651.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
56.83960	0.6
60.59037	0.7
62.59746	0.6
71.01394	4.9
71.56351	1.1
73.02942	0.6
85.02963	1.4
93.03460	11.6
96.96010	1.3
101.02487	0.8
108.02202	1.3
113.02506	0.7
115.00380	2.5
117.03468	0.7
119.05045	65.2
120.05407	1.6
123.00887	0.8
124.62476	0.6
125.02441	3.4
126.16801	0.6
131.05052	1.6
132.05830	2.3
133.06599	1.1
139.00432	0.8
141.48888	0.6
145.06593	2.5
147.04567	1.6
163.04036	32.6
164.04399	0.7
166.54517	0.6
169.01459	4.9
177.05624	7.6
183.06525	0.7
203.03503	1.0
210.06880	19.7
211.07669	100.0
212.07970	4.9
223.39806	0.7
231.02885	0.6
237.09344	4.9
239.10817	18.0
240.11162	1.1
247.02473	1.3
253.08632	1.6
275.01968	2.8
283.09802	23.6
284.10187	1.4
300.99915	9.3
302.00479	0.9
313.05899	0.9
327.08771	2.4
373.12985	1.6
388.56784	0.7
445.15143	2.5
445.20718	0.9
481.06174	0.8
489.14117	4.7
537.21002	0.8
633.07153	1.6
651.19403	69.8
652.19763	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	651.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97395	1.4
53.76932	1.2
59.01385	11.2
61.98836	19.7
69.38799	1.7
69.39123	11.4
71.01398	3.8
74.99104	100.0
79.80034	1.2
80.43343	1.2
80.77406	1.2
85.03025	1.3
87.00912	3.7
89.02487	1.6
92.31529	1.2
96.96029	8.6
96.96902	1.4
101.02438	1.9
103.34574	1.2
112.98570	1.6
113.02477	2.3
120.99672	8.9
123.00944	2.2
125.02459	3.5
137.02473	1.9
138.01984	1.9
145.02878	3.4
147.99168	1.3
151.00400	1.3
155.57445	1.5
169.01439	5.3
247.02296	1.5
249.59773	1.4
300.99905	3.9
305.15924	4.0
381.15878	14.6
409.15311	10.5
461.31467	2.2
485.32721	3.7
489.31802	2.2
503.33932	8.6
589.26434	6.6
651.26794	18.4
651.39136	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	649.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13668	0.1
59.01395	0.1
61.98821	0.3
62.32539	0.1
71.01382	0.1
71.19836	0.2
89.02444	0.1
99.05489	0.1
101.02483	0.1
112.98579	0.1
113.02440	0.1
125.02470	0.2
145.81288	0.1
169.01440	0.1
177.01993	0.1
196.99725	0.1
223.04057	0.1
292.52289	0.1
295.87100	0.1
363.27054	0.1
379.30414	0.2
391.30197	0.2
409.31079	0.4
421.31662	0.1
455.31116	0.1
485.32492	0.1
487.34305	100.0
488.34653	12.8
587.23761	0.3
649.29364	0.4
649.39777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3968
Annotation	Arjunetin
Peak:m/z	Relative Intensity
55.78133	0.5
59.01368	2.1
61.98821	1.2
71.01385	1.8
71.57560	0.6
78.95926	0.5
84.99326	0.5
89.02450	2.6
96.96010	1.6
101.02422	1.5
113.02453	0.5
114.83657	0.5
117.03495	2.6
119.03525	0.8
119.05064	3.7
121.02944	1.8
127.00304	0.5
131.03517	0.5
135.04518	1.4
145.02980	7.0
149.02417	0.7
150.45222	0.6
156.91640	1.0
156.97743	0.9
163.04053	2.8
179.05600	1.4
289.21786	0.8
303.62790	0.5
308.78024	0.6
393.27917	0.9
407.29620	1.5
409.31055	2.3
423.32721	42.2
424.33221	5.2
425.34143	1.4
449.07458	0.6
469.33252	100.0
470.33609	12.9
470.40292	0.8
471.34195	1.1
551.33514	2.2
571.38275	2.6
573.90796	0.5
587.38043	0.8
631.36768	2.1
632.36310	0.7
649.37640	4.1
650.37939	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99046	0.6
57.56700	0.7
59.01382	1.7
61.98818	1.3
69.20499	0.6
69.28307	6.1
69.94813	0.7
78.95905	0.7
93.03467	4.0
96.96014	1.0
106.04179	0.6
107.05109	0.9
107.60232	0.7
108.02164	0.8
117.03481	73.5
118.03814	2.6
119.05019	1.1
121.02988	1.2
123.04492	2.2
133.02986	5.4
135.04544	33.0
145.03000	3.8
160.84296	0.8
161.02463	41.3
162.02814	1.0
162.83917	1.8
179.03514	6.4
247.02260	0.9
300.99963	1.4
311.36230	0.7
366.80618	0.7
396.75876	0.7
425.30853	1.1
437.30811	1.9
439.32578	1.1
455.31595	3.3
467.31677	2.4
469.33347	5.4
485.32520	1.5
487.34311	7.5
559.12592	0.7
567.33667	1.3
631.36517	1.1
649.37531	100.0
650.37762	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	649.3959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11245	0.1
55.01899	0.1
55.67910	0.1
59.01383	0.4
61.98833	0.7
69.03493	0.2
71.01396	0.5
71.57581	0.1
72.99332	0.2
85.03014	0.1
89.02492	0.3
96.96031	0.3
97.02974	0.1
101.02468	0.3
108.02244	0.1
109.02988	0.1
112.16925	0.1
113.02465	0.1
116.92931	0.1
117.03474	1.2
117.04185	0.1
119.05042	0.9
121.02978	0.4
122.03729	0.1
123.04560	0.4
125.02481	0.2
131.05141	0.1
137.02486	0.2
138.02029	0.3
145.02966	6.1
146.03337	0.2
147.04559	0.2
159.04558	0.2
161.05986	0.1
163.04033	0.9
167.03560	0.1
169.01451	0.4
170.18919	0.1
175.04007	0.3
176.04816	1.1
187.04019	0.1
192.07516	0.1
209.11887	0.1
264.07907	0.1
265.08499	0.1
293.08105	0.1
301.00024	0.1
307.08255	6.0
308.08572	0.4
311.09253	0.1
341.10309	4.0
342.10538	0.5
405.28278	0.4
421.31171	1.4
422.31534	0.1
428.07629	0.1
467.31940	0.2
485.32767	1.3
486.32986	0.2
487.34290	100.0
488.10162	0.3
488.34647	12.3
496.23199	0.1
503.16043	0.1
513.33087	0.1
649.18823	0.4
649.30219	0.2
649.39563	5.6
650.40112	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	28.0
60.01719	3.8
61.01807	1.0
65.56172	0.9
67.01899	1.4
71.01391	6.0
71.56405	0.9
81.03476	1.6
81.38216	0.9
83.05036	3.1
85.02976	1.0
85.31378	0.9
87.00891	2.3
89.02472	7.7
90.02736	0.9
90.51741	0.8
91.02872	1.0
93.03471	17.1
94.03790	1.2
95.01424	1.4
96.96036	1.3
101.02467	2.6
105.30527	0.9
107.01398	5.8
107.50832	0.9
108.02221	1.2
111.00883	2.0
111.04567	5.9
113.02455	2.2
117.03523	1.2
119.03539	2.8
123.00919	2.7
124.01694	2.1
125.02467	54.8
126.02825	1.1
136.98836	0.9
137.02458	6.6
139.00414	3.3
140.01158	2.4
143.07213	1.2
145.02991	1.8
147.04544	1.3
155.03529	3.8
161.02457	1.4
163.03973	1.8
166.99808	1.6
168.00668	10.6
169.01454	100.0
170.01825	2.9
173.02419	1.6
173.04591	2.2
175.04012	3.1
179.05605	1.3
189.01967	2.2
191.03546	2.2
193.05139	1.0
201.01938	1.7
201.05487	1.0
203.03535	3.1
205.01323	0.9
217.01440	3.6
219.03021	2.1
229.01381	2.7
242.99411	1.5
245.00949	3.8
247.02519	10.6
270.98944	2.1
273.00443	8.8
275.02042	3.1
285.06360	1.4
291.01544	2.9
298.98517	1.9
300.99936	14.0
302.00394	1.6
316.99399	14.9
317.99747	1.0
323.09683	1.1
323.13495	25.7
324.13889	18.3
325.05685	95.6
325.13873	18.2
326.06091	4.3
327.00195	0.9
336.51389	1.1
393.04327	1.0
435.05740	5.0
481.06317	4.4
577.07379	1.1
605.07642	3.4
613.04840	3.8
631.05438	1.5
664.60022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54237	0.8
56.40361	0.8
59.01384	1.1
69.03465	1.6
69.56399	5.4
71.01384	1.5
73.85622	0.9
82.78090	0.9
95.01391	1.4
96.95997	1.0
98.20618	1.9
102.39804	0.8
107.01408	2.2
111.00897	1.0
113.02499	0.9
117.03514	1.3
119.05037	3.0
123.00882	2.2
125.02462	21.2
129.03404	1.1
133.02962	2.5
137.02429	1.4
139.04077	1.1
145.02966	6.2
147.04518	2.4
151.00307	1.0
159.04526	0.9
161.02475	5.1
163.00418	1.3
163.04004	3.1
166.99887	1.4
169.01442	30.5
170.01653	0.9
173.02414	5.4
175.04018	5.2
176.01170	1.0
177.01921	2.9
189.01967	6.3
190.02708	3.5
191.03531	11.7
199.00340	1.3
201.01984	4.9
203.03546	6.5
205.01436	2.9
214.99875	1.1
217.01442	14.3
218.01978	2.2
219.02983	6.1
221.04549	1.9
229.01517	7.8
231.02971	1.5
242.99171	1.0
245.00911	15.3
247.02489	53.3
248.02873	2.1
257.01062	1.4
270.98764	1.2
273.00436	29.5
274.00806	2.0
275.02026	2.6
291.01447	9.1
298.98511	2.2
299.99097	2.4
300.99933	16.8
302.00391	1.2
315.98691	1.3
316.99414	100.0
317.99771	6.4
323.13535	2.1
324.13907	1.2
333.02527	1.5
391.06726	3.4
407.06137	1.8
435.05731	21.9
436.05801	1.2
445.03922	1.7
446.02911	1.0
453.06857	8.5
463.05716	1.3
481.06110	3.3
528.75128	1.0
577.07489	1.3
605.07721	6.2
606.08380	1.1
613.04584	4.1
638.01782	1.1
649.06641	3.9
650.06689	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
56.91488	3.9
70.25181	5.0
71.01366	7.6
71.02261	5.7
71.02604	9.2
92.82320	4.2
95.01381	22.1
97.02950	4.5
117.03466	8.0
119.05007	5.0
121.03031	4.0
123.00880	31.4
125.02468	62.2
133.02994	9.0
137.02406	4.7
145.02928	15.6
147.00925	4.9
147.04526	15.2
149.02350	5.3
161.02429	16.0
163.00359	9.0
163.03944	13.0
165.01915	6.3
166.99895	31.6
168.00426	5.6
169.01440	82.6
171.00862	5.2
173.02377	14.4
175.04010	17.9
177.01939	7.3
187.00381	4.9
189.01936	27.1
190.02707	8.7
190.99887	6.0
191.03520	25.5
200.01157	5.8
201.01932	28.9
203.03542	23.4
214.99863	6.2
217.01460	32.6
219.02963	16.2
226.99840	8.3
229.01462	32.3
230.02222	5.3
231.02963	11.1
235.02440	6.5
245.00883	49.2
247.02478	75.1
248.02943	5.2
257.01013	7.5
259.99548	4.9
261.00391	6.0
263.01950	6.2
270.98785	13.5
273.00415	100.0
274.00943	7.7
275.01868	17.9
289.03482	4.6
291.01480	16.6
298.98395	29.6
299.01254	5.7
299.99100	19.7
300.99908	97.8
302.00110	5.3
315.01465	6.9
316.99496	7.9
340.99207	5.7
343.00815	6.0
389.04877	5.0
393.04755	7.8
433.04514	10.7
435.05914	21.1
443.02661	11.2
445.04141	87.4
446.04318	6.8
453.06683	10.6
461.03613	28.3
463.05219	54.7
479.04956	5.8
561.08716	7.9
587.06567	6.7
603.06592	7.7
605.07935	25.6
613.04620	53.9
614.04761	6.3
631.05444	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.0687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61009	0.8
53.33767	0.9
79.61284	0.8
86.18073	1.0
95.01393	2.1
96.95996	1.0
107.01443	0.8
111.00909	1.8
123.00862	4.1
125.02451	9.8
133.02951	1.0
139.00392	2.1
145.02986	3.1
146.91689	0.9
147.04457	1.2
157.03006	1.1
161.02461	3.0
163.03995	1.2
165.01906	1.1
166.99896	6.7
169.01450	12.3
173.02432	3.9
175.03981	2.2
175.78177	1.1
177.01901	1.2
185.02496	2.4
189.01900	3.5
190.02788	1.1
191.03508	2.5
201.01979	5.2
203.03513	2.7
209.00972	1.5
217.01437	4.7
219.03110	1.1
229.01421	7.3
230.01834	1.1
231.02971	0.9
245.00935	6.9
247.02507	10.4
257.00906	3.8
270.98862	2.6
273.00433	12.7
273.77921	0.8
274.01035	2.0
274.60245	0.8
275.01962	8.3
283.99695	1.7
287.02100	1.3
291.01471	3.6
298.98398	2.7
299.99130	3.5
300.99911	100.0
302.00171	7.1
316.99408	4.4
362.43140	0.9
433.04327	1.3
435.05481	2.1
443.02753	1.1
445.04178	12.0
446.04517	1.0
453.06363	2.4
461.03610	3.6
463.05209	20.1
464.05484	1.7
481.06195	19.4
482.06638	2.1
605.07867	1.7
613.04834	4.7
631.05664	1.5
649.07007	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	647.3806
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
59.01365	3.3
61.98836	11.8
71.01378	1.7
71.55766	1.0
71.56217	1.9
75.00868	1.1
78.95893	1.2
88.92899	1.0
96.96006	3.9
98.89694	1.0
112.35519	1.1
115.95464	0.9
136.07735	1.3
139.19215	0.9
145.02911	1.4
168.98326	1.0
169.01512	1.8
197.11806	1.4
215.71120	0.9
300.99997	1.3
393.31897	1.0
423.32932	6.6
439.32098	3.0
467.31866	2.2
485.32770	40.5
486.33191	4.6
499.32883	1.0
549.30994	1.1
575.06482	1.8
615.22589	3.6
647.38019	100.0
648.38477	16.5
652.68170	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.9
59.01366	6.5
60.99321	1.8
61.98829	9.0
65.99851	9.6
71.01382	8.2
71.57733	2.4
72.84335	1.7
73.02940	2.5
83.05043	2.1
85.02945	5.2
87.00876	2.6
88.98808	2.3
89.02443	4.1
95.01424	1.9
96.96011	15.0
97.02940	2.4
101.02428	4.4
105.46619	2.2
107.01429	2.3
108.04558	1.9
109.02986	3.2
113.02449	4.0
116.05074	2.0
120.08175	6.6
121.02926	2.5
122.06132	37.6
123.00867	3.2
124.04052	2.3
124.07697	4.7
125.02451	11.8
134.06128	2.0
136.07668	7.0
138.05553	2.6
145.02930	3.6
151.00475	2.3
151.07616	1.9
156.06670	4.0
161.04831	2.8
163.03970	2.3
169.01468	9.4
171.10268	2.5
174.01981	2.0
174.05624	3.2
174.09241	3.0
180.06683	3.1
188.07201	2.6
193.01463	2.3
199.08723	3.8
201.11359	22.7
209.11824	22.6
215.16495	7.3
225.06732	2.3
226.07373	4.0
227.08220	6.7
227.12759	3.4
238.07356	2.7
239.08257	10.6
240.08913	4.0
241.09840	15.1
242.10641	9.0
251.08202	3.0
251.11954	2.6
252.08838	2.2
253.09712	8.4
254.10518	2.2
265.09839	4.6
266.10635	4.0
267.11380	15.9
268.12094	3.3
276.08871	3.8
277.09778	3.6
279.07816	7.8
279.11206	2.1
281.09326	3.3
283.26477	2.0
285.04086	4.6
285.08804	3.4
285.12057	2.2
286.09589	9.6
287.10074	2.7
291.11569	9.2
293.09351	8.9
293.12946	4.9
294.10135	10.2
295.10959	5.2
300.11078	2.1
300.99759	4.5
308.11493	2.9
311.10138	3.4
317.11789	3.6
335.10477	4.1
337.12158	1.9
338.08972	5.5
338.12936	2.0
343.12909	3.9
344.13855	2.6
359.20642	5.9
360.13071	2.6
362.15103	3.8
364.16678	4.6
377.21860	26.1
386.14737	2.6
389.17673	3.1
394.17969	4.8
402.14722	5.2
408.15710	40.4
414.17505	2.0
416.15869	5.5
430.18167	2.6
431.18011	4.5
434.17624	2.2
438.16656	4.4
440.18192	6.8
448.18784	7.1
449.19409	3.6
453.15891	2.2
460.14996	7.7
462.16721	1.9
475.17300	11.1
485.19244	2.1
492.17764	13.0
493.18610	12.6
494.18970	2.6
506.19284	2.5
524.20557	17.2
553.24384	4.2
554.23218	2.7
571.26007	13.5
573.23303	9.8
585.26544	2.9
597.23633	38.8
598.23688	5.1
615.24622	100.0
616.25110	16.0
629.26239	7.3
647.27838	17.8
648.27936	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	647.2732
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06270	1.9
59.01382	8.6
61.98832	9.0
67.79710	2.2
68.99572	11.6
71.01386	3.5
71.57625	3.5
78.95903	4.9
82.95421	2.6
88.98824	2.9
89.02460	2.8
94.45530	1.9
96.96019	31.8
96.96986	3.9
98.95605	2.3
101.02467	3.3
108.04567	5.4
109.02951	2.1
110.06116	4.0
112.98570	9.4
113.02457	2.7
114.93441	5.2
120.08206	3.3
122.06137	24.4
123.00912	4.8
125.02441	17.8
133.03041	2.2
133.06602	2.7
134.06142	5.7
136.01764	2.5
136.04039	1.9
136.07707	5.8
136.99185	2.8
137.02521	5.0
138.03261	2.3
138.05579	5.3
145.03008	5.2
146.06143	4.4
147.04639	1.9
150.66107	2.1
151.00319	3.5
152.07172	3.4
161.04646	3.9
162.05640	2.3
163.04021	4.9
165.01941	3.9
169.01422	18.7
174.05527	4.4
175.22105	1.9
179.07175	3.1
180.04216	2.8
180.06696	14.7
188.07190	13.9
193.05038	2.2
195.06673	3.5
201.10349	4.8
211.02480	2.1
213.10399	3.1
215.11876	2.2
223.06213	2.6
226.07870	2.3
229.13387	2.9
231.11430	4.0
237.10324	2.9
239.11852	10.2
241.13416	5.6
251.08266	5.4
251.11841	2.8
257.13000	3.1
263.11774	3.1
265.09808	13.9
267.11441	5.8
271.04562	4.6
273.12457	2.3
277.09671	3.3
279.11380	7.4
280.12039	4.3
283.10904	3.1
285.04111	5.9
285.12445	4.2
291.11465	8.7
292.08685	4.2
292.12000	2.6
293.09372	8.1
299.99094	6.5
300.99814	14.5
301.11942	2.5
303.05109	3.2
303.13474	20.8
307.10919	15.7
308.11618	29.4
309.12344	4.5
311.10532	3.2
312.10971	2.8
319.12079	2.7
331.06564	2.5
332.44016	2.1
340.10703	15.3
343.13068	2.2
346.16113	2.5
352.10419	2.7
353.11340	3.1
355.86621	2.3
373.08014	3.6
388.16702	6.1
418.17706	4.2
430.17770	22.5
431.18015	2.1
433.09729	2.9
446.17105	2.4
448.18707	25.5
449.25787	2.4
474.16763	5.0
476.18295	4.2
492.17825	87.4
493.18167	8.5
506.19312	2.8
508.20697	3.7
511.23538	2.4
524.20380	100.0
525.20587	10.5
529.24695	3.3
531.08734	2.2
553.24408	9.5
554.24420	2.2
571.25720	17.2
572.25250	2.6
575.06256	3.0
597.23706	6.2
598.23846	2.5
613.79907	2.2
615.24463	23.9
616.25037	3.4
629.25903	4.0
647.17188	2.9
647.27850	20.9
647.38684	2.8
648.26013	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	647.0532
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33497	1.0
54.19596	1.5
54.42960	1.2
57.73513	1.1
61.87886	1.0
69.46561	9.0
71.01405	2.2
72.52613	1.1
72.99352	1.1
91.05508	1.1
96.38050	1.1
98.20845	1.2
105.03465	2.0
107.01389	2.0
107.05038	1.6
113.02470	1.5
117.03452	3.5
119.05042	2.9
121.02975	2.1
123.00867	2.4
125.02471	8.0
133.02965	5.7
135.04518	6.2
137.02464	1.8
145.02968	8.7
147.00816	1.3
147.04527	5.6
149.02448	2.4
151.00333	2.0
161.02457	14.5
161.25189	1.1
162.03142	2.8
163.00365	4.1
163.04033	19.4
164.01221	2.5
165.01935	2.6
168.98309	1.1
169.01411	7.4
173.02467	6.8
175.04028	2.3
176.01108	1.2
177.01929	3.2
187.00259	1.5
188.01187	3.0
189.01942	22.7
190.02768	5.8
190.99858	1.5
191.03519	35.8
192.03824	1.8
193.05186	1.6
201.01976	8.1
202.99959	1.4
205.01517	1.5
211.04005	1.4
212.87830	1.3
214.99913	1.8
216.00566	3.2
217.01419	20.1
218.02107	3.4
218.99258	1.4
219.03040	9.5
222.41298	1.1
231.03001	2.1
233.00949	2.0
234.01605	1.5
235.02550	6.2
242.99495	1.9
244.00029	2.0
245.00900	11.5
259.99603	3.6
261.00403	31.1
262.00955	1.8
263.01950	1.8
270.98755	2.6
277.03452	1.3
286.98087	1.5
287.99060	2.0
288.99933	3.6
333.02637	1.4
363.03522	4.9
383.76736	1.5
405.04663	8.8
423.05737	5.6
433.03891	10.2
434.04477	1.3
451.04776	1.6
575.06799	100.0
576.07202	9.4
603.06287	39.2
603.14172	1.0
604.06702	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	647.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.6
71.01385	2.3
71.57066	0.8
78.54202	0.6
78.95901	0.9
81.03467	0.6
83.20425	0.6
85.02988	0.9
95.01406	1.5
96.96033	4.6
96.96980	0.7
101.02444	0.8
105.03471	3.5
107.01406	2.2
109.02975	0.8
111.00864	1.2
113.02470	0.8
117.03462	2.4
119.05057	3.1
122.03753	0.7
123.00895	5.8
125.02459	9.5
132.02156	1.0
133.02965	4.8
135.04538	4.4
137.02417	1.2
139.00368	1.8
141.01913	0.8
144.21880	0.6
145.02937	3.7
147.04523	5.2
149.02400	0.8
151.00375	2.4
159.04503	1.1
160.01608	0.9
161.02467	15.4
162.03195	2.5
163.00391	4.4
163.02736	1.2
163.04031	15.5
164.01126	0.9
164.04349	1.2
165.01974	1.7
165.05585	1.9
166.30603	0.7
169.01442	8.2
173.02455	4.8
174.03241	0.7
175.04018	1.6
176.01186	0.9
177.01949	2.3
179.03571	0.7
187.00420	1.3
187.03967	0.9
188.01189	1.6
189.00298	1.3
189.01949	18.5
189.03671	1.2
190.02727	5.3
191.03520	41.6
192.03856	1.5
193.01482	0.8
201.01930	2.2
203.03543	1.8
205.01396	2.1
207.03011	2.0
209.00879	0.9
209.04506	2.1
211.02495	0.8
214.99890	1.8
215.03526	1.5
216.00653	1.7
217.01434	11.5
217.04951	1.4
219.02969	3.1
228.04468	0.7
229.01341	1.2
231.02997	2.0
232.00189	2.1
233.00877	2.6
234.01750	1.3
235.02481	14.9
236.02858	0.8
242.99335	0.9
243.02966	1.3
244.00204	1.0
245.00998	1.9
245.04559	0.7
247.02548	1.6
259.02271	1.0
259.99609	1.9
261.00415	27.5
262.00845	1.7
263.02036	0.7
275.02020	2.3
275.05457	0.6
277.03638	1.3
286.98404	0.8
287.99161	1.9
288.99921	1.5
300.99902	2.5
303.01398	0.9
314.97876	0.9
319.04602	2.4
335.04169	0.7
363.03659	3.2
366.23926	0.8
379.06918	1.8
389.05289	0.9
391.02948	0.7
405.04681	11.7
406.05203	0.8
408.94138	0.6
423.05695	8.7
430.07330	0.8
433.04172	3.5
451.04926	1.7
463.04871	1.0
531.08002	0.8
575.06818	100.0
576.07086	11.3
603.06262	8.6
604.06854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56075	1.8
53.07681	1.9
53.40743	2.1
55.70689	2.2
59.01376	16.0
59.02896	1.9
61.98833	21.4
64.40948	2.4
71.01063	1.9
71.01366	10.9
73.02943	2.6
73.86984	2.2
78.95918	2.8
79.95741	2.0
83.05017	6.0
85.02946	4.7
88.98781	2.6
89.02460	3.2
95.03793	2.0
96.96037	12.2
97.86263	2.1
101.02437	9.3
106.06681	2.9
113.02465	3.9
120.04558	2.4
120.08212	2.7
121.05305	2.4
122.06142	34.8
123.00867	2.6
124.07715	5.5
125.02471	6.4
127.04023	14.4
134.06149	8.0
135.04512	2.0
136.07709	2.9
137.02472	3.9
139.07674	8.1
143.03386	2.1
144.04568	3.0
150.54944	2.1
157.27783	1.7
160.04156	2.6
160.06406	3.8
161.04773	2.6
162.05568	3.4
165.05586	4.3
169.01440	11.8
174.05612	9.3
180.06712	3.0
186.05643	4.4
187.06517	2.3
188.07210	3.2
197.11890	3.9
199.13426	47.0
203.05937	2.4
209.11850	53.6
210.12129	3.2
213.10352	22.4
215.11952	3.8
217.13533	4.7
224.09677	2.9
226.11166	2.2
227.12889	7.0
227.43813	1.8
236.09604	2.0
237.10400	2.6
238.07469	3.4
239.08302	2.6
239.11885	31.4
241.13419	16.4
249.10323	4.0
251.08203	5.5
251.11923	11.9
253.09343	7.7
263.08359	2.3
263.11948	5.4
264.09064	14.2
265.09924	12.7
265.13049	2.1
266.10632	2.5
267.11465	7.6
276.09027	4.0
277.09753	6.3
278.06744	2.3
278.10684	3.2
279.11414	22.5
280.12064	5.0
281.13034	3.6
285.04068	8.9
285.12454	53.0
286.12796	3.8
291.07803	5.9
291.11469	13.7
292.08585	21.3
292.11575	3.3
293.09268	10.4
293.12912	7.5
295.10672	3.2
305.09418	2.8
306.10110	8.0
307.10916	67.2
308.11639	22.8
309.12338	2.7
311.10327	4.9
327.13440	3.0
328.11047	2.9
330.16122	3.3
339.13553	2.7
340.10730	8.3
343.13232	5.6
350.09024	17.6
351.09879	52.6
352.10284	7.9
354.12216	3.6
356.14044	6.5
365.11578	10.2
370.15640	8.0
372.17477	5.0
383.12732	3.8
384.13116	4.0
388.16415	3.0
389.17712	3.5
390.18213	5.9
398.15292	13.4
404.20084	3.2
411.15909	3.6
412.16785	5.9
413.17154	9.6
416.15979	3.2
430.18018	4.1
431.18414	7.0
432.19348	16.1
446.20911	16.9
450.19907	3.7
457.16028	3.2
458.17178	6.3
465.15616	4.8
469.26379	3.0
475.17728	4.5
476.18240	34.1
477.18356	2.2
490.19836	71.8
491.20139	7.4
493.25720	3.2
495.23843	6.4
507.19989	7.0
508.20810	7.5
522.22510	100.0
523.23120	10.3
535.35358	2.3
537.25183	61.3
538.25555	8.3
569.27863	34.1
570.27875	2.9
581.24146	26.8
601.39636	14.9
607.38953	6.1
613.26782	96.0
614.27319	12.8
627.24207	4.7
645.28876	34.7
645.37842	4.8
646.29175	5.0
656.56018	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	643.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.3
58.00638	0.3
59.01388	3.9
61.98841	2.4
69.03456	0.9
69.39140	2.9
70.82774	0.4
71.01389	2.9
73.02957	0.8
79.29561	0.4
80.02698	1.0
81.03475	0.9
83.01401	0.7
83.05040	4.6
84.02203	0.7
85.02972	0.9
86.33144	0.3
87.00848	0.3
89.02448	3.0
93.03510	0.4
95.05032	0.7
96.38857	0.3
96.96030	0.8
97.57739	0.3
98.20692	0.7
98.39803	0.3
99.00897	0.5
101.02445	2.6
109.06629	0.4
113.02469	2.0
119.03531	0.6
119.05022	0.3
120.37201	0.3
122.06116	1.6
123.06528	0.4
125.02474	0.9
125.06047	0.4
125.09663	0.3
125.44794	0.3
135.08188	0.6
145.05104	0.5
147.78639	0.4
152.07185	2.4
153.07576	1.0
153.09235	0.7
153.12871	1.2
161.04568	1.4
163.11310	3.5
165.12938	2.3
169.01494	0.6
169.12358	6.4
171.10312	1.6
179.10777	0.8
181.12361	0.4
191.10773	0.9
195.10559	0.4
197.11855	100.0
198.12195	4.3
199.13422	0.7
201.11386	0.7
207.10344	0.4
209.11856	96.3
210.12192	4.9
211.13420	1.6
213.10374	1.1
214.10710	0.7
223.13419	0.5
227.12941	13.9
227.85646	0.4
228.13211	0.6
235.08286	3.5
235.13420	1.3
239.11684	0.3
240.12224	0.5
241.13641	0.4
242.13820	0.4
247.02473	0.7
253.09326	8.9
254.09689	0.5
279.11090	0.5
285.04153	3.4
285.12473	1.2
286.12823	1.3
287.13141	0.8
294.13266	0.4
325.15417	0.4
358.15707	0.5
359.15814	0.6
360.15924	0.5
371.22015	0.4
389.23254	1.0
402.17453	0.5
407.24069	0.5
433.20798	3.3
445.20792	0.8
445.29837	0.4
480.37970	1.0
481.37970	0.8
487.39923	0.4
565.24695	0.7
566.25500	0.7
567.25348	5.9
568.25073	0.5
607.31415	1.0
611.24310	6.8
625.32324	0.9
643.25873	2.0
643.36938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.6
59.01391	4.7
61.98839	5.9
63.24378	0.3
69.03478	0.8
71.01397	3.9
71.57423	0.7
73.02971	0.7
75.43331	0.4
79.62778	0.4
80.02704	1.1
81.03484	1.1
83.01424	0.5
83.05032	4.6
83.05485	0.5
84.02197	0.4
85.02980	1.1
87.00894	1.1
88.98826	0.9
89.02455	2.3
95.05064	0.7
96.96053	1.3
101.02467	3.0
109.02996	0.6
109.06590	0.6
113.02467	2.0
119.03515	1.1
122.06142	1.8
125.02458	1.4
125.09707	0.4
127.81862	0.4
133.02956	1.0
134.06114	0.8
135.08229	0.5
136.07693	3.3
137.02525	0.5
151.00441	0.5
152.07201	1.4
153.12878	1.4
161.04587	1.6
163.11316	4.2
165.12849	2.1
169.01456	1.5
169.12354	6.4
171.10277	1.4
179.05637	0.5
179.10721	0.9
181.12341	0.6
185.11855	0.4
188.07100	0.6
191.10789	1.1
197.11847	99.5
198.12172	4.5
199.13412	1.8
201.11348	1.6
207.10287	0.6
209.11842	100.0
209.99345	0.4
210.12187	4.4
211.13428	2.2
213.14973	0.6
223.13530	0.8
227.12918	15.3
228.13306	0.7
235.08293	3.5
235.13376	1.3
239.12022	0.4
241.13435	0.5
253.09326	11.4
263.59705	0.4
279.11380	0.6
285.04062	5.8
285.12439	1.1
286.04269	0.5
287.13336	0.5
295.10901	1.1
300.99951	0.7
307.10913	0.6
329.84720	0.4
371.22116	0.8
389.23282	0.9
407.24164	0.8
433.20782	2.7
444.19354	2.4
444.24503	0.4
445.20569	1.4
463.21204	0.4
479.36810	0.5
480.37585	0.5
488.18338	4.9
489.19025	0.5
520.20667	1.6
537.25281	0.6
567.26050	1.8
593.24561	0.5
607.30859	1.1
607.39575	0.5
611.24738	3.2
625.32245	1.4
643.23956	0.7
643.34119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2776
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07690	1.5
78.56415	1.5
79.65455	1.4
80.05035	1.6
94.06631	6.0
98.20624	4.8
106.06615	3.2
107.03801	11.5
120.08206	20.5
122.06135	73.0
132.04550	3.5
134.06110	6.9
139.02754	2.4
144.39500	1.7
150.05573	2.6
152.07190	87.7
153.07494	1.6
160.04022	2.2
160.42189	1.5
164.77570	1.7
174.05562	1.8
190.05099	3.7
221.10648	1.8
223.08804	9.2
224.09573	3.8
225.10428	4.0
235.12373	2.0
236.09471	2.6
237.10394	11.0
238.11110	3.7
239.11925	9.6
241.13263	1.6
245.12885	4.4
249.10329	2.6
251.08231	3.7
251.11903	8.4
263.08203	7.4
264.09061	10.5
265.09869	9.6
276.08899	2.9
277.09750	3.4
278.10501	6.4
279.11426	37.2
280.11948	4.8
281.12820	1.8
283.10834	2.1
291.11499	10.3
292.11935	2.8
295.10870	5.8
323.10333	8.0
324.11127	3.2
325.11868	4.0
355.12827	2.1
359.58316	1.8
402.18341	13.3
416.19833	2.2
417.20282	3.9
430.17459	2.3
444.19437	14.8
445.19864	3.7
448.18661	6.8
461.19879	1.7
488.18262	32.2
489.19019	19.2
490.19138	2.3
520.13470	3.0
520.20935	40.3
521.21350	5.2
525.25629	2.3
567.26111	38.5
568.26648	3.9
593.24109	2.7
609.69037	1.9
611.25153	100.0
612.25433	16.7
643.27899	24.6
644.27924	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	643.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
60.52687	0.5
61.98844	1.1
62.78060	0.6
65.42899	0.4
68.66754	0.4
71.04884	0.8
77.55005	0.4
80.05070	1.6
81.03468	0.6
93.25526	0.5
94.06635	4.3
96.96039	0.7
104.05093	0.9
105.05843	1.3
105.54220	0.5
106.06664	1.5
107.03779	7.4
115.19187	0.5
120.04546	0.8
120.08205	19.4
121.05340	1.1
121.08566	0.6
122.06136	67.5
123.06422	1.5
124.07706	1.5
132.04591	2.6
134.06134	6.1
136.07701	0.9
139.02762	1.0
141.98222	0.7
148.04179	0.7
150.05630	0.9
152.07187	68.1
153.07512	2.0
158.02496	0.9
160.04053	1.7
161.04807	0.9
162.05637	1.1
162.17416	0.5
164.07196	1.6
164.50975	0.5
174.05597	1.7
190.05119	3.7
195.17998	0.6
200.07167	0.6
211.08823	0.9
211.12407	1.6
221.10930	1.2
222.08005	1.1
223.08760	8.5
224.09529	2.4
225.10385	2.6
235.08705	1.0
235.12402	2.2
236.09535	0.9
237.10336	11.7
238.11127	2.9
239.11913	9.1
241.13524	1.5
245.13014	4.5
248.09488	0.6
249.06660	1.8
249.10396	1.3
250.07552	1.1
251.08263	3.3
251.11914	5.9
252.08922	0.7
253.13501	0.7
261.10638	0.6
263.08221	4.6
263.11823	1.4
264.09076	7.1
264.12125	0.8
265.09787	6.8
266.10345	1.5
267.11371	1.2
271.10849	2.1
276.08997	1.3
277.09961	2.8
278.07663	0.6
278.10486	3.7
279.11392	26.9
280.12000	4.3
281.13013	1.4
283.10864	1.1
291.11462	6.7
292.12134	2.9
293.09537	0.8
293.12680	1.1
295.10852	4.0
295.14081	0.8
296.11383	0.7
297.12576	0.6
305.09274	0.9
307.10938	0.5
311.10391	0.6
311.14124	0.7
313.11914	2.4
323.10382	6.9
324.11087	2.8
325.11966	2.9
341.11459	0.6
342.16095	0.8
355.13037	2.2
356.13904	0.9
358.15552	1.1
359.16769	0.5
360.17163	2.1
370.15240	0.8
372.17160	0.9
386.14709	0.8
386.19208	1.1
388.16635	1.8
389.17462	1.1
399.19556	0.7
400.16061	0.6
400.20505	1.3
402.18231	10.8
403.18628	1.7
404.19617	1.4
414.18414	1.2
416.15567	1.3
416.20016	1.7
417.20386	1.5
420.05246	2.4
421.05627	4.2
422.04852	5.6
428.16263	0.7
430.17896	0.7
431.18582	0.6
443.18701	0.9
444.19360	12.8
445.20294	3.5
446.17020	0.9
447.17978	0.9
448.18729	6.0
449.19110	1.4
458.17233	0.7
460.18643	0.9
461.19199	2.5
471.17712	1.5
481.35349	1.0
488.18274	17.6
489.19016	16.0
490.19232	1.5
493.21854	0.6
508.20587	1.1
520.20862	18.1
521.21503	3.2
525.24927	1.3
546.15833	0.6
567.26135	31.6
568.26526	6.0
583.25818	1.3
593.24194	1.4
611.25134	100.0
612.25507	14.6
612.32996	0.3
616.91315	0.6
643.27777	28.6
644.28149	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	643.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	6.4
61.98836	13.3
71.01383	5.3
71.57993	2.9
80.05049	1.8
83.59724	1.2
84.53420	1.1
86.80781	1.2
87.00887	3.6
94.06633	6.3
96.96014	6.3
101.02473	1.4
106.06622	2.4
107.03781	13.4
115.00362	5.5
118.06674	1.7
120.08204	11.4
122.06141	92.2
123.06467	2.7
125.02429	3.3
126.45777	1.2
132.04575	2.1
134.06094	6.4
136.05295	1.9
139.02849	3.1
150.05614	2.3
151.00363	1.4
152.07195	100.0
153.07536	4.3
160.04037	3.1
163.11244	1.2
164.54607	1.3
169.01384	3.7
174.05597	2.2
175.02499	12.0
190.05090	2.7
197.11829	8.2
209.11897	8.9
210.08081	1.6
211.08887	1.8
211.12488	1.4
221.10814	1.7
222.07930	1.6
223.08801	16.6
224.09541	4.7
225.10362	2.5
235.12483	3.3
236.09595	1.9
237.10370	18.7
238.11073	9.3
239.11913	19.1
240.12329	1.7
245.12949	2.2
249.10364	2.3
250.07384	1.9
251.08202	4.2
251.11809	9.7
252.08803	1.3
263.08292	3.8
263.11865	1.6
264.09009	4.8
265.09772	7.7
271.10947	5.7
273.07755	1.6
277.10117	2.9
277.27957	1.2
278.10620	2.3
279.08392	2.5
279.11383	26.2
280.11905	3.8
281.12985	3.7
283.10849	3.2
291.11374	4.3
292.12039	1.8
295.10870	3.9
300.99649	1.3
311.14081	1.9
313.11887	2.7
323.10336	4.9
324.10953	1.5
325.12161	3.4
355.12906	2.7
360.17007	2.9
372.16867	1.4
376.20349	3.1
388.16470	1.6
400.20697	1.9
402.18213	30.0
403.18643	5.1
404.19803	6.0
416.20242	2.6
444.19357	17.1
445.20114	1.7
448.18781	28.1
449.19193	3.6
467.18015	2.7
476.21585	1.9
481.31259	2.3
488.18289	16.4
489.18790	9.1
507.19769	1.7
508.20435	1.7
520.20929	26.7
521.21259	6.4
523.27368	3.1
525.24896	7.4
567.26263	17.3
568.26953	2.3
570.24420	3.0
599.28540	2.6
611.25134	42.9
612.25635	6.5
643.27844	78.8
644.28046	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37147	1.0
59.01377	10.6
60.53828	1.1
61.98833	3.2
63.74761	0.9
69.38424	8.3
71.01386	3.5
73.02941	1.2
85.02934	2.0
87.00868	1.8
88.98820	1.3
93.03432	1.4
95.01395	1.5
96.96029	8.2
97.02950	1.0
101.02446	2.6
107.01337	1.4
108.02142	1.3
108.52181	0.9
109.02962	3.4
118.44567	1.0
119.05024	2.1
119.94685	0.9
121.02966	2.8
122.03728	2.8
122.06137	1.7
123.00890	4.0
123.04565	1.3
125.02422	4.7
135.04536	1.8
136.01666	1.9
136.05310	1.9
137.02444	25.2
139.00404	1.5
139.03984	1.7
141.01723	4.6
145.02892	1.7
147.04547	1.3
149.02435	6.9
150.03238	15.7
151.00407	6.9
151.04025	5.1
152.04803	1.2
152.07162	1.8
153.01921	1.0
162.03122	1.0
163.03954	1.5
164.01151	1.9
164.04828	1.8
165.01944	100.0
165.05586	14.1
166.02718	16.7
167.03555	2.0
169.01439	7.0
173.02443	1.5
175.02553	1.2
175.03983	2.2
176.01202	1.5
177.01938	1.3
177.05643	1.7
178.02710	1.3
179.03517	23.1
179.07150	1.2
180.04288	55.1
181.05077	19.0
182.05421	1.1
187.03986	1.9
193.05098	1.8
194.05841	4.3
195.02942	3.1
195.06636	73.2
196.06932	3.6
203.03406	1.5
205.05029	4.8
206.05597	1.1
207.06570	1.1
210.05313	11.9
211.02383	1.1
220.07370	3.1
225.07692	47.4
226.08073	2.2
229.01482	2.8
257.00980	1.8
257.12933	1.3
274.01318	1.6
275.02002	24.4
276.02118	1.3
285.04086	2.8
287.10321	1.7
297.07159	1.0
301.00089	2.4
311.09335	2.5
325.10828	2.7
339.09201	1.0
343.11862	19.9
359.11365	1.6
386.13641	1.3
387.10269	1.7
387.14828	7.7
404.57593	1.0
416.14856	2.0
417.15546	27.5
418.16110	1.7
527.57916	1.0
540.44244	1.1
540.52777	1.2
565.19891	2.4
567.23157	1.7
593.78607	1.0
595.21881	41.4
596.22247	5.8
605.25763	2.8
606.06268	1.0
611.23218	1.5
643.16162	1.6
643.28632	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	643.2407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59805	0.6
55.01880	0.8
59.01378	4.1
61.98829	1.7
68.99806	2.2
69.53863	1.5
69.54265	3.8
70.19463	0.8
71.01393	10.4
72.99306	1.1
73.02940	2.7
76.91335	0.8
83.01376	1.8
85.02962	4.5
87.00866	2.1
89.02444	1.2
93.03468	35.4
94.03814	1.5
95.01393	1.8
96.96020	7.5
101.02449	8.7
105.03542	0.8
108.02178	1.5
109.03000	4.3
109.03585	0.7
113.02459	5.5
119.05042	2.6
120.99673	1.4
121.02975	12.5
121.27834	0.9
122.03770	8.0
123.00876	2.7
123.04495	2.7
124.01660	1.5
125.02457	5.3
129.03442	1.0
134.03748	1.2
135.04573	3.6
136.01633	2.6
137.02457	75.7
138.03111	1.8
139.04024	1.1
139.68773	0.9
146.03726	0.7
147.04564	6.0
149.02415	1.1
151.00323	1.7
151.04008	3.5
153.01958	3.1
153.05609	4.1
154.02757	2.0
161.04623	0.8
162.06816	0.7
163.03986	2.5
164.04758	1.3
165.01947	13.0
165.05582	20.3
166.02631	2.7
166.05820	1.1
168.04297	7.3
169.01418	4.2
175.03996	0.9
176.01117	3.1
177.01952	3.2
178.02678	1.7
179.03508	4.1
179.07137	6.1
180.04308	7.6
181.04951	2.7
191.03539	4.5
192.04274	5.4
193.01378	3.5
193.05032	2.5
195.06644	8.6
196.07001	0.8
197.04578	1.3
207.06683	7.1
208.03807	4.2
210.05313	1.5
223.06120	12.8
223.09521	1.1
224.06708	1.5
225.07732	5.8
245.00954	0.9
273.00409	1.4
281.06693	100.0
282.07040	5.6
300.99802	3.7
301.99716	0.9
315.12442	1.3
316.13065	1.0
346.14130	5.5
347.14990	12.3
359.11404	1.0
361.16583	23.7
362.16910	2.3
417.15573	2.1
419.17044	1.7
435.06073	1.6
595.21912	3.8
596.22327	0.9
643.23956	55.4
644.24066	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	643.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
58.77538	0.5
59.01398	2.2
61.98833	5.3
62.37120	0.5
67.01918	1.2
71.01405	2.5
71.43169	0.5
73.02962	0.6
75.00890	0.7
85.02950	0.6
87.00887	1.8
87.56084	0.6
88.42314	0.5
88.98835	1.0
93.03478	0.8
95.01437	0.9
96.96034	3.8
98.20621	1.0
101.02484	1.0
107.01440	0.9
108.04533	0.6
109.02988	2.4
111.00887	0.7
113.02490	0.8
115.00385	1.3
116.92860	1.7
121.02908	0.7
122.06136	0.7
123.00924	2.6
124.01665	0.9
125.02463	8.0
135.08182	1.7
136.01677	1.5
136.05325	3.3
137.02461	22.3
139.00375	0.8
139.03990	0.8
145.03049	0.6
149.02480	0.9
149.06165	1.0
151.00404	3.3
151.04057	2.5
151.07619	0.7
163.04001	1.2
164.01244	1.4
165.01952	100.0
165.09222	2.1
166.02711	8.6
168.00728	1.0
169.01443	10.2
170.01820	1.6
171.01888	0.7
171.10339	0.7
175.02486	4.0
175.03894	1.1
177.09166	0.7
179.03511	15.2
180.04306	55.9
181.05049	9.2
187.04021	0.7
194.05862	2.1
195.02945	1.9
195.06645	80.0
196.07028	3.3
197.11942	1.1
205.05107	1.6
206.02711	0.6
207.06544	0.6
210.05348	13.0
211.05855	0.8
225.07706	72.5
226.08080	3.1
229.14584	0.9
269.04623	0.8
275.02155	0.8
299.05676	1.5
301.00156	0.9
301.12036	1.3
313.05643	3.4
327.21832	2.4
329.13901	1.8
329.35800	0.6
387.10254	1.0
387.11584	0.8
387.14795	5.1
387.81992	0.7
388.91476	0.8
402.13330	1.3
403.14355	0.7
417.15561	10.7
418.15860	1.1
455.55640	0.7
466.33392	0.7
467.17978	0.9
481.35919	7.4
491.22845	0.6
504.02802	0.7
525.17676	0.7
567.26080	1.1
595.22363	1.2
605.25983	0.7
625.35992	0.9
643.19800	5.5
643.29486	2.9
643.37341	2.3
644.20404	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.83434	0.9
57.03455	7.1
59.01378	9.1
68.99807	1.3
69.03455	6.6
70.12842	3.6
70.13250	2.2
71.01392	16.1
72.99310	2.4
73.02951	18.0
81.03455	1.4
83.01384	5.1
83.05009	1.1
85.02962	54.8
87.00886	100.0
88.01202	1.2
88.89211	1.0
95.01386	8.9
97.02964	24.4
98.20013	1.1
99.00871	1.6
101.02499	1.5
103.04018	9.5
109.02958	2.4
111.00890	1.9
113.02464	38.9
115.00373	10.5
115.04020	2.5
115.70499	0.8
125.02464	1.7
127.04060	1.5
129.01939	2.6
131.03549	0.9
139.00354	1.5
157.01422	12.8
173.04532	3.0
175.02487	66.1
176.02902	2.2
199.02399	0.9
217.03561	21.8
218.03857	1.4
233.95369	1.0
303.07251	28.1
321.08334	12.4
381.10239	1.8
445.56226	1.1
479.10400	12.7
497.11493	1.6
539.12659	16.6
540.12970	2.1
625.16223	12.8
626.16870	1.9
643.17316	36.6
644.17761	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	643.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19492	1.0
55.01871	1.0
57.03457	6.3
59.01379	9.2
68.99831	1.7
69.03463	6.1
69.49918	6.7
69.50246	1.5
71.01387	16.5
73.02955	17.8
78.95905	3.1
81.03465	2.0
83.01396	3.8
83.05022	1.2
85.02959	58.3
87.00885	100.0
88.01212	2.1
95.01396	8.5
96.96994	1.5
97.02961	30.3
97.34283	0.9
99.00889	1.7
101.02436	2.0
103.04020	11.5
109.02960	1.3
111.00874	2.5
113.02463	43.8
114.02734	1.1
115.00395	12.1
115.04031	3.2
123.44332	1.0
127.04047	1.9
129.01974	1.9
139.00398	1.5
141.82953	0.9
145.05034	1.2
157.01456	11.8
160.31119	1.0
173.04555	2.9
175.02493	77.4
176.02776	1.7
183.44913	1.0
194.94528	1.1
216.21947	0.9
217.03552	23.3
218.03903	1.4
235.04567	1.2
285.46997	0.9
297.59872	1.0
303.07242	29.4
304.07550	1.4
321.08344	10.9
381.10535	1.7
423.12305	1.3
479.10455	11.9
480.11353	1.3
497.11649	2.6
539.12646	18.7
540.12689	1.7
625.16333	13.7
626.16687	1.5
643.17316	42.9
644.17810	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	643.0382
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	90.0
60.01719	0.8
61.98861	1.1
64.79632	0.6
67.24052	0.6
71.01369	0.8
78.95926	2.5
85.02943	0.9
102.63625	0.5
115.00565	0.7
115.58367	0.6
121.50996	0.6
128.26791	0.6
132.98238	1.4
132.99149	0.9
157.03569	3.7
159.01530	2.7
171.96756	0.7
174.99252	19.4
176.98120	26.3
177.98303	1.7
201.02567	57.6
202.02750	4.1
217.00314	100.0
218.00621	3.3
325.82584	0.6
342.99844	1.1
343.03748	17.2
344.03964	1.6
359.01498	82.7
360.01724	6.9
397.38968	0.6
501.02811	6.8
502.02774	0.9
644.11517	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01097	0.2
55.01891	0.4
59.01386	1.5
67.01894	0.4
67.84533	0.3
69.03471	0.5
71.01398	1.1
71.05031	2.5
71.56703	0.4
77.03985	0.8
83.01414	1.3
85.02986	0.4
89.02444	0.8
93.03473	1.1
95.01400	0.4
95.05035	2.0
96.02147	0.3
97.02959	10.8
101.02468	0.6
109.02966	6.4
113.02458	0.5
121.02971	4.9
123.00887	0.3
137.02460	19.0
138.02847	0.5
139.04027	65.5
140.04385	2.0
153.01956	17.9
154.02293	0.4
163.00395	0.5
163.04028	1.0
164.01212	0.3
165.01947	100.0
166.02293	2.7
179.05569	0.3
183.03004	6.3
195.02972	1.1
207.02994	0.6
255.05112	0.8
293.29749	0.2
297.06171	0.4
300.69330	0.3
300.99985	0.3
301.03589	0.5
315.07220	2.8
319.51306	0.3
327.07224	4.2
345.08276	88.8
346.01736	0.2
346.08685	4.7
352.66650	0.3
463.08752	2.4
481.09839	5.4
482.10150	0.6
525.96686	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.363
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	25.8
61.98838	40.5
71.01385	15.1
71.56489	3.0
73.02924	1.8
78.95906	2.2
83.05023	3.7
85.02969	3.2
89.02444	22.0
96.96020	13.5
101.01898	1.9
101.02423	10.9
104.24002	1.9
108.08212	2.1
113.02454	8.2
119.03526	9.0
122.06108	6.3
125.02440	3.2
134.64471	1.8
136.07680	4.0
137.02443	2.6
151.00356	2.5
152.07175	7.7
153.09413	1.9
156.10439	2.5
168.00650	2.3
169.01416	4.8
175.03940	2.6
179.05643	5.6
197.11821	22.3
209.11876	24.4
211.13368	5.6
227.12900	4.8
241.21774	2.5
253.09404	2.6
279.11124	2.2
284.03342	18.8
285.04092	38.8
287.22635	2.6
300.99725	5.2
413.96100	2.0
426.32236	11.1
443.18341	2.3
444.19110	2.4
444.33240	8.9
488.18161	6.1
520.21014	3.0
566.25421	2.9
567.25946	2.6
606.38599	100.0
607.39337	13.3
610.23956	3.5
611.24957	5.4
642.27289	2.5
642.36481	34.2
643.24017	28.4
643.36639	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	641.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33932	0.2
59.01374	1.4
69.03459	0.4
71.01385	1.2
73.02962	0.3
77.71882	0.2
83.05044	0.3
85.02968	0.4
89.02449	1.0
90.37644	0.2
101.02448	1.3
113.02431	0.7
119.03489	0.4
130.67628	0.2
135.15489	0.2
145.05031	0.2
155.10760	0.2
160.90288	0.2
161.04576	0.4
167.14426	0.7
179.05573	0.3
183.13914	6.0
184.14261	0.2
193.12355	1.6
211.13403	100.0
212.13744	4.3
235.08200	1.4
236.08563	0.2
251.31392	0.2
253.09312	4.4
254.09814	0.3
346.06714	0.2
387.25482	0.6
400.78415	0.2
405.26379	0.5
429.21326	0.6
447.22382	4.9
448.22833	0.3
520.63062	0.2
623.34637	0.8
650.97437	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.4
69.03463	0.2
71.01376	1.1
73.02972	0.3
83.05017	0.2
85.02953	0.4
87.00903	0.3
89.02454	1.2
101.02444	1.3
113.02448	0.4
116.47825	0.2
119.03493	0.2
133.05034	0.2
135.64850	0.2
145.05110	0.2
161.04601	0.4
165.12801	0.2
167.10730	0.4
167.14395	0.5
179.05774	0.2
183.13927	6.0
184.14276	0.2
193.12358	1.5
211.13408	100.0
212.13768	4.4
235.08250	1.6
248.04031	0.2
253.09334	3.4
283.13269	0.2
299.32004	0.2
314.87164	0.2
323.98813	0.2
387.25586	0.5
405.26566	0.2
429.21378	0.7
447.22327	4.9
448.23013	0.4
623.34216	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32508	0.1
53.67414	0.1
59.01386	1.5
61.98827	0.5
69.03448	0.4
70.56590	0.4
71.01395	1.4
73.02937	0.3
75.80876	0.1
78.95911	0.3
80.53407	0.1
83.01404	0.2
83.05033	0.3
85.02970	0.5
87.00871	0.3
88.44315	0.1
89.02457	1.2
95.01372	0.2
96.96028	0.3
99.00877	0.2
101.02438	1.6
113.02466	0.7
119.03555	0.4
136.07719	0.2
137.09718	0.2
150.06848	0.6
155.10837	0.2
161.04581	0.6
165.12923	0.2
167.10774	0.2
167.14412	0.7
179.05661	0.2
183.13914	6.0
184.14240	0.3
193.12352	1.6
211.13406	100.0
212.13731	4.2
235.08243	1.9
253.09326	3.9
300.99991	0.5
387.25476	0.6
405.26474	0.6
429.21271	0.6
434.31464	0.2
447.22369	4.3
448.22818	0.3
471.34882	0.2
479.30945	0.2
479.37274	1.0
513.37299	0.2
565.24615	0.4
609.23743	0.5
623.34589	1.2
641.34912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90971	0.7
56.71833	0.6
58.17293	0.8
59.01379	8.4
61.98891	0.7
70.61020	0.9
70.61376	1.9
80.05058	8.7
90.85183	0.6
92.05122	1.1
94.06693	3.3
97.27294	0.7
104.05122	3.4
106.06059	0.8
106.06625	4.2
107.03798	5.9
120.04641	1.8
120.08221	2.0
121.05409	2.5
122.06139	42.3
123.06552	1.2
130.06641	1.0
132.04655	3.3
134.06137	13.4
139.02837	1.5
148.04138	2.8
150.06927	1.1
152.07184	56.0
153.07588	1.7
160.04160	2.1
160.06419	7.9
161.04878	1.9
161.06749	0.8
162.05618	1.1
167.61211	0.7
174.05565	5.4
186.05721	0.9
190.05199	3.0
198.12990	1.2
211.08844	1.1
211.13634	1.1
213.10355	35.5
214.10767	2.3
223.08853	1.8
225.10446	2.5
226.11253	2.4
227.11867	1.1
235.08905	0.9
237.10452	1.5
239.11909	20.9
240.12346	1.5
241.13470	18.8
241.43451	0.7
242.13852	1.8
245.12978	9.7
249.06807	1.5
251.12001	2.7
264.08853	0.7
265.09912	2.7
267.11472	2.1
277.09857	1.0
281.09451	1.0
285.12463	75.2
286.12894	3.8
293.09781	1.5
293.13022	11.3
294.13412	0.9
295.10852	6.9
296.11572	1.1
307.44510	0.8
313.11963	5.5
316.14743	2.0
323.10364	12.7
323.13782	1.0
324.10742	1.3
325.11926	4.2
326.12592	1.7
327.10229	1.0
328.10986	3.0
329.11646	1.4
330.12454	0.8
330.16006	1.4
332.17706	2.5
340.10620	1.1
340.14673	2.0
342.12619	3.6
343.13251	4.5
344.13995	3.6
355.12979	8.7
356.13943	2.5
356.17822	1.6
357.14627	4.8
358.15610	23.8
359.16129	1.6
369.14658	1.3
370.12027	2.5
372.17615	1.0
382.15729	1.9
384.13480	5.4
384.17639	1.1
385.14334	2.2
397.14197	1.1
398.15311	1.7
399.16074	1.3
400.16641	20.5
401.17157	2.0
412.16748	6.4
413.17151	0.9
475.29861	0.8
479.37329	2.3
497.25555	3.6
509.22284	1.2
523.23584	16.6
524.24005	2.9
537.25079	1.6
541.24371	1.3
565.24573	100.0
566.24860	12.1
568.23016	2.8
581.24329	1.5
606.38373	2.6
609.23547	98.0
610.23834	14.8
641.26276	19.3
642.26385	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	641.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24948	0.7
57.10516	0.8
59.01105	1.1
59.01385	12.4
71.01398	7.2
71.55914	0.9
71.56303	0.9
72.99303	1.0
78.95928	0.9
79.16067	0.8
85.02969	1.7
89.02457	5.7
95.01409	1.8
96.95982	0.9
101.02444	3.1
107.01421	1.7
113.02470	2.5
119.03531	2.6
121.06508	0.9
123.00891	11.6
125.02460	13.7
139.00365	2.9
151.00392	12.9
162.03265	1.3
165.89969	0.8
168.00638	2.9
169.01437	36.1
170.01747	1.0
175.03990	1.1
177.05573	2.0
177.68385	0.7
211.02481	9.4
241.03456	1.4
265.03561	3.2
271.04633	9.3
272.04913	0.9
272.22809	0.8
295.71259	0.7
309.11923	3.5
310.78143	0.8
311.68530	0.8
331.06717	100.0
332.07104	4.7
517.56689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2625
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	10.4
61.98588	0.8
61.98848	10.1
80.05067	11.4
94.06612	3.8
96.95989	3.4
104.05070	4.1
106.06631	3.8
107.03793	8.6
116.93006	1.0
118.06527	0.9
120.04539	2.6
120.08215	2.9
121.05357	3.9
122.06136	55.0
123.06436	1.1
125.02428	1.7
130.06606	1.9
132.04564	3.1
134.06128	17.7
139.02785	2.6
148.04054	4.1
150.05650	1.4
152.07187	79.0
153.07512	3.2
160.04051	2.8
160.06445	6.8
161.04747	2.8
162.05676	1.8
164.07169	1.3
174.05614	8.1
184.88521	1.1
186.05659	1.5
190.05098	3.5
197.11804	1.5
211.13351	3.7
213.10352	35.4
214.10567	2.4
214.12457	1.3
223.08783	2.7
224.09438	2.0
224.68990	1.1
225.10390	2.9
226.11183	2.3
237.10268	3.8
239.11922	28.1
240.12181	1.8
241.11172	1.3
241.13492	18.5
245.12956	9.5
249.10382	1.1
251.11900	2.8
263.08163	1.4
265.09836	4.1
267.11292	2.7
277.09802	1.6
278.10641	1.4
279.11609	1.9
285.04147	7.2
285.12469	67.2
286.04315	2.3
286.12772	4.0
293.09628	2.0
293.12823	9.0
295.10925	7.1
313.12042	13.2
314.09235	1.2
314.12750	1.1
315.14166	1.4
316.14594	2.3
323.10373	12.7
324.11005	1.4
325.11963	5.6
326.12567	1.6
328.10803	6.7
329.11588	1.6
330.12314	2.3
330.15952	1.4
332.17743	2.6
340.10550	1.2
340.14563	2.5
341.15338	1.1
342.12616	4.7
343.13324	8.2
344.13980	6.4
355.13055	9.1
356.13907	3.8
356.17740	3.4
357.14862	8.2
358.15625	36.2
359.16052	5.4
368.10733	1.6
369.14777	1.3
370.11880	3.6
370.15863	2.0
384.13400	7.6
385.14291	3.6
397.14111	1.3
398.14832	1.7
399.15668	1.6
400.16730	22.2
412.16571	5.1
419.18671	1.9
495.20416	1.0
497.25610	7.3
498.26141	1.0
509.21771	5.5
521.25586	3.3
523.23505	23.2
524.23914	5.5
537.25024	2.0
541.24725	1.4
565.24554	96.0
566.24786	14.8
567.22284	2.5
568.23193	12.3
569.24567	1.2
581.23633	1.7
591.22925	1.6
597.26990	2.6
605.36810	1.1
606.38568	2.5
609.23578	100.0
610.23785	15.9
641.26184	39.8
642.26440	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	640.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71960	0.4
59.01378	1.4
61.98836	68.8
63.02411	0.7
63.11388	0.4
70.30250	0.9
70.30630	0.9
71.01409	0.4
81.65813	0.4
93.03446	1.0
95.01392	0.5
96.96017	5.6
98.20537	0.5
106.63974	0.4
107.01373	1.9
117.03474	7.3
119.05058	2.0
122.06155	1.1
125.02470	1.6
136.05307	0.5
137.02536	0.5
145.02963	13.1
149.02478	1.0
151.00357	1.3
152.07196	1.5
158.54129	0.4
159.04550	1.1
161.02460	0.6
169.01477	2.6
181.06506	0.5
183.04515	0.7
197.06052	0.6
201.05658	0.6
211.02386	0.4
225.05655	0.5
255.55487	0.4
268.03775	1.8
269.04562	100.0
270.04895	6.2
285.04135	0.5
307.08371	0.9
349.28140	0.4
400.16754	0.8
478.12595	0.5
565.24231	1.3
577.13525	58.1
578.13849	8.0
604.09625	0.5
609.23401	1.8
622.28223	0.4
641.27655	2.1
659.64075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3827
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	1.0
71.46462	1.1
74.96767	0.7
92.13223	0.7
93.72347	0.7
103.57938	0.7
133.02969	10.2
134.03734	3.1
135.04535	2.6
137.02448	1.5
161.02461	25.8
162.02785	1.0
179.03485	0.9
266.86917	0.8
338.89102	0.8
481.92480	0.8
603.40594	100.0
604.40918	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	639.247
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
52.39922	1.1
59.01384	2.5
61.98821	4.3
63.78917	0.9
71.56890	1.0
77.60506	0.9
78.46077	1.0
94.06625	6.0
95.58261	1.4
96.96005	3.2
106.06653	2.0
107.03120	2.1
107.03786	18.9
120.04548	2.6
122.06142	72.0
123.06483	1.4
124.07717	1.2
131.20343	1.1
133.53792	1.0
134.06151	13.4
134.92682	1.3
139.01845	1.2
139.02759	8.0
140.04092	1.1
141.54967	1.1
150.06912	1.3
152.07193	100.0
153.07484	3.4
155.84030	1.0
166.05151	2.0
169.01395	1.3
172.43497	1.1
197.11783	1.5
209.11838	2.8
211.13417	2.5
237.10385	1.1
260.92111	1.2
286.02911	1.1
326.12994	1.6
327.10352	1.2
327.14615	1.2
340.11023	2.6
352.10699	2.2
354.12469	4.4
356.13840	2.8
366.12442	1.5
367.09601	5.6
368.10242	3.1
368.14114	4.2
370.15668	12.8
370.89096	1.1
371.16058	1.6
372.17194	3.3
380.10382	3.3
380.14539	1.5
382.11716	14.0
382.15579	2.1
383.12762	14.1
384.26801	1.2
392.14343	1.4
394.12106	3.5
395.12796	4.0
396.13568	5.4
397.14120	1.7
398.15118	44.8
399.15359	4.1
410.15082	18.3
411.15662	3.4
429.16837	1.4
430.17719	4.2
519.23846	2.5
535.23669	8.0
563.23029	99.5
564.23407	12.9
595.25653	36.8
596.26099	5.1
607.21997	53.7
608.22803	6.6
639.24646	37.8
639.33203	1.9
640.25104	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	639.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
69.03456	1.3
71.01392	1.1
71.57311	1.2
81.03485	0.8
83.01423	0.6
85.02936	0.9
87.00878	1.7
88.98824	2.0
92.33310	0.6
92.77196	0.6
93.03468	2.4
95.01424	1.2
96.84026	0.6
96.96022	7.1
97.02972	1.5
98.95588	1.4
106.31460	0.6
107.01398	2.2
111.00897	0.7
113.02448	1.1
123.00904	2.3
124.01663	0.6
125.02466	54.1
126.02796	1.8
128.68359	0.7
136.01709	0.9
137.02472	4.7
140.01144	1.1
145.02867	0.7
151.00368	1.2
163.04074	0.7
165.01988	0.8
166.99922	0.8
168.00702	0.9
169.01445	100.0
170.01794	2.3
189.01886	0.8
191.03540	1.3
211.02528	1.3
281.06683	1.0
285.04150	5.2
300.99969	2.5
302.00470	0.7
304.02078	0.7
313.05643	0.7
329.85883	0.8
365.12759	0.6
417.08362	1.7
433.07736	7.4
447.09555	1.1
451.08960	1.2
603.10016	11.7
604.10406	1.3
639.22998	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76403	0.8
59.01377	2.6
61.98837	6.4
69.03462	1.6
69.42810	5.7
71.01380	1.4
72.99310	1.0
73.02984	0.9
75.73215	0.9
85.02961	0.9
88.98822	1.8
93.03468	12.9
93.59621	0.8
95.01393	0.9
96.96023	12.7
97.02961	1.2
98.95605	3.1
101.02456	1.6
107.01402	3.5
116.92848	1.9
119.05055	1.4
123.00887	3.2
125.02457	57.5
131.30298	0.7
135.04538	1.3
137.02448	33.7
138.02824	0.9
139.00410	1.6
145.02939	1.6
151.00357	2.1
154.56396	0.7
163.03951	0.7
165.02007	0.9
166.02675	2.1
168.00644	1.4
169.01442	100.0
170.01767	1.9
180.04265	0.8
181.05087	2.3
193.67758	0.8
211.02538	1.5
269.04706	1.1
269.07962	0.9
274.00754	0.8
285.04111	1.1
300.99908	2.8
313.05624	1.4
433.07748	20.0
434.07956	1.3
525.20154	1.6
603.09875	21.6
604.10669	1.9
639.15381	1.2
639.26031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69551	0.3
51.92979	0.3
53.14147	0.3
59.01378	1.0
61.98837	1.0
71.01391	0.6
71.56762	0.5
74.99098	1.4
79.95747	0.6
85.02967	0.3
88.98806	0.7
96.96020	12.6
98.95599	2.4
98.96450	0.4
117.03476	2.3
119.05053	1.5
120.99666	100.0
121.99970	0.9
123.00899	0.6
123.77034	0.3
125.02457	1.3
135.04568	0.5
136.99194	1.4
145.02962	9.4
146.03273	0.4
151.00360	0.3
161.06091	1.1
163.04015	2.9
165.05627	0.7
168.00595	0.3
169.01425	1.7
190.02634	0.3
191.03487	0.4
195.06635	0.5
205.05066	1.3
235.06154	0.9
247.02762	0.3
265.07193	2.4
269.04572	1.2
277.12341	0.4
285.04208	0.5
298.98447	0.5
300.99988	0.9
302.00253	0.3
313.05780	0.3
314.00714	0.5
325.08728	0.3
329.03275	0.4
515.22864	12.3
516.23181	1.4
637.13690	0.3
637.23566	1.9
665.61127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.6
59.01390	11.8
61.98841	3.9
65.03976	1.7
69.03464	2.0
71.01389	11.3
72.99307	1.5
73.02937	2.1
81.03471	1.1
83.01398	1.6
85.02951	4.2
87.00883	3.9
87.04531	0.7
89.02454	4.8
91.05529	2.0
91.24550	0.6
95.01360	0.9
95.05016	2.2
96.96023	4.0
97.02971	1.1
97.06602	2.8
101.02441	7.7
105.07058	0.8
107.08474	0.6
109.06612	0.9
111.08239	0.9
113.02484	5.3
115.05556	1.7
119.03469	1.1
123.08174	1.9
125.02465	1.5
125.09737	10.7
125.40670	0.7
132.05788	0.9
135.08162	0.9
145.05064	1.9
161.04536	1.5
163.11383	0.7
168.20711	0.7
171.10359	1.5
175.11404	0.8
185.11923	3.2
185.13295	0.7
187.09727	1.3
187.14967	3.8
201.12897	0.8
202.08606	0.7
209.11870	10.2
211.13287	1.3
213.12811	5.7
221.11673	0.8
229.11353	0.7
231.13918	11.7
233.11848	2.2
235.08191	3.2
235.13458	0.9
247.13344	1.0
249.14951	2.5
273.15002	0.7
285.14920	0.8
321.22379	0.9
329.24963	1.0
339.23306	2.6
355.22736	1.3
357.24411	1.6
365.21158	3.1
373.23877	2.5
377.08463	0.7
383.22339	14.0
384.22519	1.2
391.25070	1.2
401.23361	15.7
402.23550	1.2
419.24396	4.7
445.20554	1.0
478.97925	0.8
567.28790	0.8
619.31262	100.0
620.31512	12.8
637.32416	23.3
638.32605	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	637.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	2.4
60.99302	1.7
67.01909	1.0
68.99575	22.6
71.01389	2.2
71.41333	0.6
71.56066	0.5
80.85901	0.5
81.22802	0.5
83.01392	0.7
85.02945	1.7
88.48952	0.5
88.98807	7.8
91.48859	0.6
95.01398	0.9
96.96019	6.7
98.31030	0.5
101.02464	1.6
107.01390	2.5
111.00887	1.2
112.98572	18.6
123.00892	8.4
124.01675	0.6
125.02447	10.6
136.98793	0.6
137.44724	0.6
139.00357	4.9
140.01170	1.8
141.01927	1.1
145.02956	1.1
145.29417	0.5
151.00365	7.0
154.99818	0.5
161.02505	1.5
168.00636	1.8
169.01425	14.2
181.05072	0.6
230.30931	0.8
243.06596	0.7
271.04785	1.0
285.07431	0.8
288.63873	0.5
300.99701	0.9
313.05853	1.0
456.50961	0.7
463.28119	0.7
523.21857	100.0
524.22235	10.9
532.13336	0.6
547.21722	1.0
578.44159	0.7
628.30090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53173	0.2
59.01375	1.5
61.98839	3.0
63.02401	1.3
65.00332	0.8
71.01379	1.2
73.02938	0.3
83.01374	0.7
85.02959	0.5
88.40179	0.3
89.02464	0.5
93.03463	0.6
93.15745	0.3
96.96009	1.0
101.02435	1.0
105.01967	0.3
107.01425	1.6
113.02492	0.5
116.92907	0.3
117.03498	3.2
119.05034	0.7
121.02976	0.7
123.00901	0.8
123.43054	0.3
124.62798	0.3
125.02465	2.8
135.04605	0.4
136.01653	0.5
137.02423	1.3
140.83066	0.2
145.02939	0.6
149.02448	1.6
150.17677	0.3
151.00383	1.9
151.04005	0.6
159.04523	1.1
161.02493	0.7
161.09753	0.7
165.05539	0.3
168.00574	0.4
169.01456	3.5
169.06558	0.4
179.10826	1.5
181.06583	0.5
183.04520	0.9
196.05290	0.3
197.06145	0.7
201.05597	0.4
209.11880	2.7
211.02481	0.5
217.01521	0.7
223.09892	0.4
224.49962	0.3
225.05598	1.2
227.03658	0.5
240.04395	0.3
245.00972	0.6
265.10852	0.4
268.03775	5.7
269.04572	100.0
270.02167	0.5
270.04886	4.8
271.06241	0.5
273.00488	1.3
281.06873	0.4
285.04340	0.3
289.10843	0.4
300.99927	0.3
306.97232	0.3
311.05698	0.6
315.12387	0.8
367.14008	1.2
401.23248	0.7
405.93130	0.3
431.09726	1.6
593.20386	9.8
594.20758	1.1
637.18561	3.5
637.33722	1.9
638.19977	0.7
638.32672	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.417
Annotation	Ginsenoside Rh7
Peak:m/z	Relative Intensity
58.00587	1.0
59.01385	19.8
61.98821	2.3
70.11161	2.7
71.01009	1.5
71.01389	24.9
80.10609	0.7
85.02959	2.1
87.00855	1.9
89.02454	31.0
97.91407	0.7
98.20605	0.9
101.02454	8.9
104.40708	0.7
108.18939	0.7
113.02463	7.3
119.03535	4.3
125.02448	1.5
131.03514	2.2
143.03494	2.8
149.04640	1.0
161.04585	3.2
169.01414	1.7
179.05624	17.3
207.07474	0.8
207.20757	0.6
455.35315	100.0
456.35831	12.2
513.20294	1.0
537.35229	1.0
635.08789	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28553	0.3
59.01384	0.5
61.98836	0.7
70.78642	0.9
71.05012	0.4
78.95918	1.4
83.99094	0.3
96.96017	3.8
116.92857	0.4
117.03480	16.7
118.03799	0.4
119.04241	0.6
119.05036	6.1
121.02953	0.9
125.02447	1.1
128.07397	0.3
133.03020	0.4
145.02971	55.8
146.03302	1.7
162.83965	0.4
163.04031	3.2
164.83670	0.5
169.01445	1.3
170.01871	0.3
286.53467	0.3
300.99808	0.6
302.00198	0.3
329.82864	0.3
465.06396	1.5
471.34940	1.9
513.31708	0.3
553.35059	0.6
575.37311	1.4
591.40759	0.6
635.08820	1.6
635.39569	100.0
636.39899	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	635.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61932	0.6
59.01368	1.0
61.98829	1.8
71.05035	0.7
71.13547	1.2
74.11254	0.7
78.95899	1.3
91.97154	0.6
96.96015	2.0
98.20468	0.9
116.92899	3.6
116.97253	1.3
117.03480	16.4
117.92924	1.0
118.96912	0.8
119.05049	6.2
121.02966	1.1
125.02442	2.3
145.02969	54.1
146.03305	2.2
163.03975	2.6
169.01445	2.1
206.35880	0.7
247.43498	0.7
300.99899	1.4
302.00366	1.7
303.00330	1.1
353.97684	0.7
465.06717	2.1
471.34857	1.0
487.34314	1.3
537.00391	0.7
575.37671	0.9
578.61194	1.0
635.08514	2.6
635.39551	100.0
636.39832	13.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34593	0.5
55.05565	0.5
56.53652	0.5
59.01387	5.8
61.98816	0.7
68.88612	0.5
70.56985	0.6
70.57327	1.6
71.01390	8.2
72.99331	0.7
83.01382	0.6
84.99327	1.3
89.02448	10.6
101.02457	5.8
113.02456	1.8
119.03524	1.6
125.02492	0.7
128.98306	0.7
131.03470	0.6
143.03545	1.0
149.04550	0.9
156.97820	4.1
161.04526	1.4
179.05617	5.3
209.58347	0.6
339.60220	0.6
388.67072	0.5
455.35355	100.0
456.35660	10.0
537.35480	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	635.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35409	0.4
59.01382	1.3
69.41360	3.0
69.81024	0.5
92.55652	0.4
117.03481	13.6
119.05037	24.4
121.02963	59.3
122.03312	1.2
130.35246	0.4
135.04541	1.2
136.04913	0.4
145.02963	62.6
146.03297	1.8
163.04001	4.0
166.94777	0.5
181.05063	1.2
182.78334	0.4
216.80246	0.4
242.19766	0.4
371.00519	0.5
453.33762	4.5
471.34760	1.7
497.32785	15.5
498.33105	1.9
513.35339	0.5
573.39569	0.9
617.38483	100.0
618.38806	15.1
635.39557	15.8
635.48523	0.5
636.39661	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	635.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.24973	0.2
65.98042	0.2
69.50566	0.8
69.50986	0.5
71.01399	0.2
75.46483	0.2
79.95755	3.3
96.96021	100.0
97.95966	0.4
111.25469	0.2
123.00903	0.6
125.02429	0.9
127.60374	0.2
151.00395	0.3
160.80167	0.2
168.00667	0.2
169.01450	1.2
179.48117	0.2
211.02493	0.2
218.94785	0.2
301.00119	0.5
302.00186	0.3
302.72650	0.2
313.05591	0.4
349.97391	0.2
465.06775	0.3
537.19843	3.3
635.08521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
57.65330	24.2
64.83048	27.5
78.95915	100.0
96.95990	27.3
106.74423	26.5
109.86575	25.3
121.45798	26.8
125.02451	54.2
150.00595	27.1
169.01422	52.3
255.23180	46.2
262.65640	25.0
453.33282	53.0
635.08240	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	635.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18068	0.9
56.50862	0.9
69.03467	1.9
71.01389	3.3
76.45174	0.9
82.74395	1.0
83.01386	1.7
95.01394	2.5
96.96027	8.2
97.02946	2.2
101.02436	2.7
107.01397	7.5
111.00856	1.7
112.89617	1.1
113.02451	1.2
118.17905	0.9
123.00912	6.9
124.01688	2.1
125.02461	83.5
126.02752	1.5
127.00401	1.1
137.02451	1.7
139.00365	2.9
140.01186	2.3
151.00383	5.8
165.02025	1.2
168.00685	4.6
169.01443	96.9
170.01808	1.6
170.59863	0.9
181.01376	1.7
193.01395	3.3
207.02882	1.2
211.02455	11.4
235.02443	1.2
241.03465	2.0
271.04514	4.7
295.04608	2.6
300.99902	5.3
302.00214	2.6
303.00449	3.1
313.05679	29.2
314.05768	1.5
335.02319	1.0
399.71109	1.0
405.04492	1.5
423.05618	1.7
465.06702	21.8
466.06924	2.2
483.07727	10.1
635.08875	100.0
636.09320	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	635.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
62.19355	0.1
68.28805	0.1
69.18480	1.2
71.18272	0.1
75.42014	0.1
79.95747	2.8
86.76878	0.1
96.96022	100.0
97.95953	0.3
103.08842	0.1
105.55219	0.1
111.10007	0.1
123.00914	0.3
125.02448	1.0
151.00436	0.3
168.00648	0.1
169.01447	1.1
190.97733	0.1
201.28925	0.1
211.02524	0.3
239.62930	0.1
273.01126	0.1
351.26459	0.1
390.71219	0.2
447.76874	0.1
537.19843	3.6
537.28088	0.2
538.20380	0.5
635.08972	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45495	0.6
59.79076	0.7
69.03470	1.8
69.36459	5.8
70.80632	0.7
71.01385	0.7
81.03468	1.2
81.25919	0.7
85.02973	1.5
95.01385	1.3
97.02979	2.0
101.02474	1.0
107.01390	6.9
111.00905	1.4
123.00881	5.4
124.01685	1.8
125.02457	74.1
126.02789	1.7
134.73787	0.9
137.02441	1.1
139.00395	2.8
140.01178	2.9
141.01782	0.9
143.03496	1.1
149.02429	0.8
151.00366	3.5
166.99896	1.4
167.03432	0.8
168.00638	5.4
169.01439	100.0
170.01704	1.4
181.01431	1.4
193.01424	7.2
211.02509	11.7
223.02487	1.4
237.04001	1.0
241.03641	1.4
253.03659	1.7
271.04648	7.7
272.05313	0.8
295.04572	3.9
300.99796	2.5
302.00113	1.4
303.00504	1.7
313.05667	7.3
423.05618	4.9
465.06573	12.0
483.07867	10.5
484.08041	1.1
635.08850	75.1
636.09314	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0894
Annotation	1,2,6-tri-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.63581	0.7
63.38059	0.8
67.01892	1.0
68.55650	0.8
69.03455	2.4
71.01392	1.9
79.01882	1.0
83.01411	0.9
87.00876	1.0
95.01417	1.4
97.02956	1.5
98.50370	0.8
101.02451	1.9
107.01395	8.4
111.00884	1.6
113.02435	1.3
123.00900	6.2
124.01673	1.1
124.62045	1.0
125.02460	77.7
126.02794	1.1
137.02448	1.1
138.03311	0.8
139.00346	2.8
140.01181	2.6
140.87178	0.8
143.03494	3.1
151.00374	3.6
153.01907	0.8
165.01895	0.9
166.99817	1.2
167.03444	1.2
168.00630	5.3
169.01442	100.0
170.01790	2.2
193.01421	3.7
211.02483	7.7
223.02306	1.0
229.10703	0.9
241.03539	1.4
253.03334	1.0
271.04575	5.4
295.04709	2.6
313.05673	21.1
413.88760	0.9
423.05731	2.0
465.06735	27.6
466.06976	1.4
483.07773	11.8
512.28156	0.9
610.12836	0.8
627.56696	1.0
635.08911	77.7
636.09198	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	633.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78013	0.3
61.98839	0.6
63.46975	0.3
69.04352	0.3
78.95906	0.4
84.16206	0.3
98.19908	1.2
101.86449	0.3
107.01245	0.3
116.73853	0.4
117.03482	24.7
118.03825	0.5
118.18360	0.3
119.05042	5.7
121.02988	0.8
123.00904	0.4
139.86842	0.3
145.02969	100.0
146.03319	3.3
147.04547	0.7
163.04001	3.4
163.05003	0.3
173.02406	0.5
183.21318	0.3
201.01895	0.4
203.03696	0.4
229.01443	0.9
231.03220	0.4
245.00909	0.8
257.00974	0.6
273.00436	0.6
274.01126	0.4
275.01956	1.7
296.40347	0.3
300.99905	11.6
302.00171	1.0
425.30536	0.6
437.30463	0.4
455.31577	0.8
463.05215	1.0
467.31638	0.4
469.33298	0.7
485.32693	1.1
573.23901	0.4
601.50177	0.3
633.07880	5.4
633.37994	82.8
634.07465	1.0
634.38361	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	635.0896
Annotation	Gallotannin
Peak:m/z	Relative Intensity
54.64545	0.7
55.01881	0.8
59.17145	0.7
61.55812	0.7
64.16712	0.6
67.01904	0.9
69.03454	0.8
69.51237	5.2
71.01394	2.4
72.99321	1.5
76.05533	0.7
79.01905	1.6
81.03461	1.2
83.01395	1.0
85.02994	1.1
87.00885	0.8
95.01405	2.7
96.95994	0.9
97.02979	2.1
101.02460	2.5
107.01397	9.5
109.02980	1.1
111.00904	2.5
113.02474	2.1
119.05103	0.8
123.00886	8.5
124.01676	3.0
125.02464	80.9
126.02800	1.1
127.00393	0.7
136.98816	2.0
137.02440	1.5
139.00414	4.2
139.04034	0.9
139.76224	0.7
140.01239	3.6
141.01898	0.9
143.03540	1.1
151.00391	5.1
153.02032	1.1
155.03561	0.9
161.02499	1.1
165.01959	1.8
166.99930	1.9
167.03558	1.9
168.00684	10.1
169.01456	100.0
170.01765	2.9
177.02034	1.0
179.03488	1.3
181.01456	2.9
183.03079	1.3
191.03532	0.9
193.01443	11.7
207.02986	1.8
211.02518	24.2
217.97670	0.8
221.04587	4.1
223.02536	1.6
235.02521	2.5
241.03609	2.4
253.03603	2.3
271.04645	12.6
272.04852	0.7
295.04559	3.0
300.99899	2.4
302.00195	1.1
303.00528	1.3
313.05734	13.8
314.06216	1.1
331.06888	1.1
340.83511	0.8
381.83255	0.7
419.64456	0.8
423.05722	12.4
424.05811	1.4
465.06870	13.7
465.13968	1.1
466.07025	0.8
483.07684	9.4
484.07959	1.0
617.07269	1.1
635.08893	98.3
636.09204	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	633.3803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64569	0.2
61.98813	0.4
68.17323	0.2
69.27415	1.9
69.27815	0.6
78.95916	0.6
86.28561	0.3
95.01368	0.3
95.29858	0.2
96.95998	0.4
116.92892	1.6
116.97272	0.5
117.03481	25.7
118.03838	0.7
119.05031	3.6
121.02980	0.3
123.00891	0.5
125.02436	0.5
138.53610	0.3
145.02966	100.0
146.03319	2.9
147.04579	0.4
163.03987	0.9
173.02431	0.2
203.03580	0.3
215.75926	0.3
229.01376	0.6
238.02351	0.2
245.01015	0.4
245.60707	0.3
249.37091	0.3
257.00851	0.5
273.00192	0.4
274.01117	0.3
275.01938	1.7
276.02213	0.3
283.99570	0.5
288.58105	0.3
300.99918	9.2
302.00229	0.7
421.31128	1.4
463.05118	0.6
467.31570	0.5
471.34503	0.3
485.33081	0.5
487.34256	1.0
513.32172	0.9
633.07684	5.8
633.37994	55.4
634.07355	0.7
634.38391	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	633.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04939	0.3
66.34620	0.3
70.02829	0.7
78.69574	0.3
117.03481	25.3
118.03854	0.8
119.05033	4.0
121.03025	0.4
126.98885	0.3
145.02966	100.0
146.03320	3.8
163.04045	3.2
263.98206	0.3
296.77148	0.2
300.99896	0.5
425.30905	0.6
437.30597	0.4
455.31573	0.6
467.31876	0.5
469.33072	0.6
513.32092	0.4
633.37988	76.0
634.38409	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	633.3804
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
59.53566	0.4
61.98839	0.5
64.40332	0.3
66.34620	0.4
70.87055	0.6
73.06160	0.3
85.25760	0.3
87.21655	0.3
117.03480	26.6
118.03871	0.3
119.05034	5.6
120.42910	0.3
121.02949	0.6
123.00866	0.4
123.04598	0.4
137.26724	0.3
145.02969	100.0
146.03296	3.8
147.04539	0.4
154.19963	0.3
163.04031	3.2
173.02448	0.4
188.55206	0.4
201.01920	0.4
201.83090	0.4
211.89626	0.3
217.01395	0.4
229.01376	0.5
245.00911	0.5
273.00394	0.4
274.00992	0.5
275.01965	1.5
283.99823	0.3
284.03183	0.3
300.99918	10.7
302.00381	0.6
395.35129	0.3
425.30420	0.4
439.32220	0.5
455.31680	0.8
467.31818	0.4
469.33093	0.7
485.32825	1.3
487.35010	0.4
633.08002	4.8
633.37988	84.7
634.07874	1.0
634.38324	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	633.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69250	0.3
77.26153	0.3
78.40491	0.3
117.03481	24.5
118.03839	0.5
119.05067	3.5
121.02979	0.4
122.21578	0.3
140.31046	0.4
145.02965	100.0
146.03288	3.4
163.04008	3.2
169.05563	0.4
182.59665	0.3
237.50323	0.4
253.32314	0.3
289.46075	0.3
290.76093	0.3
300.99945	1.5
406.37366	0.3
423.28888	0.3
425.30676	0.7
440.32849	0.3
455.31903	0.7
467.31476	0.6
469.33295	0.8
513.32355	0.6
515.93042	0.3
613.91925	0.4
633.37976	76.1
634.38330	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	633.3802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40137	0.1
58.30589	0.1
60.79671	0.1
62.08018	0.1
69.47209	0.3
69.47617	0.8
87.78403	0.1
88.08217	0.1
112.04688	0.1
117.03483	24.6
118.03798	0.7
119.05044	3.2
121.02998	0.6
145.02969	100.0
146.03297	3.1
147.04568	0.3
163.04025	2.9
165.05664	0.2
229.01413	0.2
273.00406	0.2
275.02032	0.3
300.99963	1.8
302.00211	0.2
358.28036	0.1
425.30463	0.7
437.30746	0.2
439.32516	0.2
455.31918	0.7
467.31674	0.6
469.33264	0.6
513.32587	0.3
589.39923	0.2
633.37988	71.8
634.38379	9.7
635.50037	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	633.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01365	0.6
61.98827	1.5
64.90999	0.4
69.82176	1.3
69.82574	0.6
78.95921	2.5
98.19954	0.4
101.02483	0.5
107.22673	0.3
113.02480	0.5
117.03474	25.4
118.03795	0.6
119.05034	17.7
120.05397	0.8
121.02964	2.3
123.04540	0.7
125.02482	0.5
133.02942	0.8
135.04568	0.9
145.02965	87.5
146.03310	2.9
160.84215	1.4
161.02461	0.3
162.83902	2.4
163.04042	8.5
169.01408	0.4
173.02510	0.5
175.11537	0.3
229.01408	1.0
245.00906	1.3
257.00812	0.6
273.00330	0.6
275.01874	1.4
283.99680	0.6
299.99219	0.5
300.99924	13.7
301.03232	0.6
302.00208	1.1
439.31778	0.5
452.71820	0.4
455.31967	0.5
463.05334	0.4
467.31247	0.6
469.33328	2.8
470.33060	0.5
471.34808	11.9
472.34842	1.3
513.32227	3.3
525.81769	0.4
551.33582	0.7
562.74567	0.5
589.39294	1.3
633.07831	8.6
633.37970	100.0
634.07611	1.7
634.18695	1.5
634.38318	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	633.38
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79336	0.4
52.07197	0.4
54.14448	0.4
55.94298	0.4
59.01366	0.7
61.98827	1.2
69.98979	0.6
69.99374	0.9
71.01390	0.7
101.02462	1.3
103.54553	0.3
113.02468	1.2
117.03474	26.7
118.03762	0.8
119.05045	7.1
121.02955	2.2
125.02444	0.4
133.02974	0.5
135.04558	0.6
145.02965	100.0
146.03339	2.3
160.84264	1.9
161.04521	0.4
162.83908	2.2
163.04047	1.5
169.01506	0.5
181.05193	0.4
181.36786	0.4
185.02502	0.6
229.01454	0.7
245.00974	0.7
257.01071	0.4
258.01672	0.5
273.00305	0.5
275.02020	1.4
300.99933	11.2
302.00281	0.8
374.06479	0.6
421.31320	0.7
463.04904	0.8
467.31323	0.6
471.34842	19.8
472.35019	1.7
487.34308	1.0
513.32214	0.9
562.01904	0.4
571.38104	0.6
615.36969	7.1
616.37512	0.7
633.07971	5.9
633.38025	48.8
634.07782	1.4
634.18658	1.2
634.38245	8.0
634.48303	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72321	0.5
60.02376	0.5
60.04126	0.5
71.01384	0.5
91.58885	0.5
95.01392	0.9
98.81210	0.7
123.00903	2.4
125.02431	3.4
133.02974	0.7
143.03329	0.6
145.03012	1.6
147.04533	0.9
157.02937	1.8
161.02487	0.6
163.04015	0.6
169.01469	2.2
173.02490	2.6
175.04033	1.4
177.01917	0.9
185.02464	2.9
187.04044	0.7
189.01939	1.8
190.02661	0.6
191.03493	1.3
201.01950	3.3
203.03500	3.1
207.36574	0.5
213.01953	1.2
214.02518	0.7
217.01477	2.3
219.02997	0.7
227.00026	0.5
229.01480	7.1
231.03006	2.9
245.00917	4.7
247.02509	0.8
248.03040	0.5
249.04016	2.3
257.00919	5.6
258.01675	1.9
259.02606	1.0
260.28375	0.6
267.03329	0.7
273.00412	4.6
274.01175	1.9
275.02023	14.4
276.02258	0.8
283.99658	3.3
287.02090	0.7
290.00546	0.9
299.99210	3.0
300.99918	100.0
302.00278	5.4
314.00848	0.7
329.02960	0.8
463.05182	5.5
633.07367	49.7
634.07794	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	633.0737
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.6
61.27776	0.3
70.06780	1.4
76.25460	0.3
90.36713	0.4
95.01400	0.4
107.01455	0.6
123.00916	0.8
124.01617	0.4
125.02460	5.2
129.03412	0.4
133.03020	0.5
140.60547	0.3
145.02960	1.1
157.02969	1.0
163.04012	0.5
169.01451	3.8
173.02434	1.8
175.03961	0.5
185.02437	1.9
189.01915	0.8
191.03493	0.7
201.01898	2.1
203.03532	1.2
211.02448	1.0
213.01892	0.5
217.01334	0.4
229.01468	3.8
231.02997	1.2
245.00914	2.2
247.02328	0.4
249.03989	0.9
256.40039	0.4
257.00955	2.9
258.01578	0.8
273.00476	1.3
274.01233	1.2
275.02005	6.7
283.99680	2.3
299.99112	1.9
300.99915	100.0
302.00269	4.9
331.06729	1.3
391.86115	0.4
429.73126	0.4
463.05524	1.0
539.32190	0.3
633.07361	23.7
634.07690	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	633.0737
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
51.04276	0.4
51.13696	0.5
69.40852	1.6
69.41254	2.6
70.16038	0.5
95.01406	1.4
98.19942	1.1
117.03503	0.5
118.57357	0.5
123.00928	1.2
125.02473	3.0
127.22018	0.4
129.03558	0.6
139.05035	0.5
145.02997	1.9
147.04575	1.0
157.02928	1.1
159.04504	0.9
161.02399	0.6
163.00414	0.5
163.04073	0.9
169.01486	2.0
173.02440	1.9
175.04022	1.2
177.02115	0.6
185.02464	3.2
187.00279	0.5
187.04002	1.0
189.01984	2.0
190.02667	0.7
191.03539	2.0
201.01898	3.6
203.03481	3.2
209.01018	0.5
209.66335	0.6
213.01993	0.9
217.01370	1.8
221.04500	0.7
226.99922	0.5
229.01453	6.9
230.01848	0.7
231.03059	2.2
245.00963	6.0
246.01443	0.6
247.02528	1.6
248.03415	0.7
249.04086	2.0
250.08421	0.5
257.00928	5.3
257.04642	0.7
258.01688	1.9
259.02493	0.6
273.00482	6.2
273.03540	0.7
274.01260	3.2
275.02002	16.7
275.05075	0.9
276.02472	0.8
283.99677	3.7
287.02158	0.8
291.01416	0.8
299.99023	2.8
300.99927	100.0
302.00281	6.2
311.02057	0.6
314.00763	0.8
329.02917	1.0
342.54559	0.6
348.55298	0.5
353.12241	0.6
419.05988	1.0
463.05219	6.0
633.07367	51.5
634.07635	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	633.0738
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
57.41603	0.4
69.49953	2.5
69.50351	0.7
71.01375	0.6
95.01408	0.8
98.20599	0.5
107.01419	0.5
117.03429	0.6
123.00911	2.6
124.01737	0.4
125.02465	2.5
128.69687	0.5
145.02957	1.0
145.95714	0.4
147.04523	0.7
157.02962	1.3
159.04529	0.5
163.04036	0.6
165.01881	0.5
166.99768	0.5
169.01462	2.2
173.02458	1.9
175.04021	2.1
177.01901	0.5
177.80426	0.4
184.81659	0.4
185.02469	2.7
189.02013	0.5
190.56392	0.4
191.03549	0.7
201.01993	2.8
203.03514	2.0
211.02328	0.5
213.01994	1.0
216.95294	0.5
217.01425	1.2
218.95653	0.4
219.03107	0.7
220.19594	0.4
226.99820	0.6
229.01434	6.2
231.03069	2.8
245.00888	1.9
247.02437	1.3
249.04073	2.9
254.99533	0.5
257.00931	5.3
258.01712	1.1
273.00504	1.3
274.01257	1.0
275.02011	13.1
282.98804	0.4
283.99731	2.4
299.99149	2.7
300.99924	100.0
302.00229	4.5
319.98880	0.4
331.06903	0.6
409.44220	0.4
463.05151	3.0
633.07416	43.8
634.07678	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	633.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
57.83893	0.7
59.88897	0.7
69.52541	5.6
80.90679	0.8
81.53942	0.7
95.01396	2.1
99.84371	0.7
117.03480	1.2
123.00887	2.2
125.02460	3.9
127.56255	0.7
133.02986	0.8
145.02983	4.4
147.04565	2.0
157.02969	1.5
159.04599	2.2
163.04076	1.9
169.01476	1.9
173.02435	5.4
175.04034	2.2
177.02003	1.0
185.02449	4.8
189.01994	3.0
190.02759	1.1
191.03491	1.7
201.01930	5.6
202.02512	1.1
203.03540	4.4
205.01511	1.0
213.01997	1.4
217.01422	3.5
224.00105	0.7
226.99806	1.1
229.01447	11.6
231.02864	3.9
245.00912	10.4
246.01492	1.0
247.02510	2.1
249.03987	1.9
256.00150	1.0
257.00925	7.3
258.01581	3.1
259.02512	1.3
273.00497	5.6
274.01172	2.7
275.01974	14.4
276.02148	1.0
283.99640	5.1
285.89139	1.0
287.02066	1.1
291.01453	1.2
291.62381	0.8
299.99075	4.1
300.99918	100.0
302.00259	4.6
314.00473	1.2
400.60904	0.7
411.01352	0.8
412.95178	1.0
419.06210	2.0
463.05219	6.6
481.83661	1.0
633.07373	78.0
634.07837	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	633.0737
Annotation	Phyllanemblinin B
Peak:m/z	Relative Intensity
95.01386	1.6
97.46947	0.6
98.20663	1.4
117.98203	0.6
123.00871	2.0
125.02476	3.6
129.03529	0.6
145.02977	2.5
147.04544	1.1
155.58080	0.6
157.02997	0.7
159.04529	1.2
161.02405	0.7
163.03931	0.6
169.01439	1.3
169.80620	0.6
173.02423	3.0
175.03999	1.9
177.04271	0.5
182.10352	0.6
185.02419	3.8
187.04086	0.9
189.01857	0.9
191.03545	1.5
201.01924	4.9
203.03564	3.5
205.01524	0.6
213.01945	1.2
217.01424	1.7
219.02942	1.0
229.01437	9.9
230.02028	0.9
231.02895	3.1
245.00908	3.1
247.02452	0.9
249.04085	2.4
257.01013	6.4
258.01590	2.3
268.72614	0.6
273.00464	1.2
274.01355	0.7
275.01990	10.6
283.99762	3.8
299.99127	3.6
300.99911	100.0
302.00327	4.2
463.05264	5.5
633.07361	63.2
634.07910	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	631.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.6
59.01387	1.4
61.98828	0.9
67.01897	0.8
69.03481	0.7
71.01386	1.6
73.02967	1.4
73.03364	0.4
85.02959	1.2
86.89182	0.4
95.01421	1.1
96.96018	1.2
97.02973	0.6
101.02454	2.2
104.07984	0.5
107.01405	32.2
109.95303	0.4
111.00889	0.5
123.00907	6.9
125.02465	68.3
126.02803	1.4
139.00388	2.8
141.01945	0.8
151.00421	3.2
169.01448	90.0
170.01767	2.0
173.02463	0.4
186.78058	0.4
211.83472	0.4
300.99847	1.4
310.88766	0.5
352.31015	0.4
363.04733	0.5
397.40646	0.6
483.31219	0.8
575.66180	0.5
613.04724	0.8
620.76947	0.5
631.29706	100.0
632.30157	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	631.3647
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
70.29435	0.3
71.41016	0.4
71.41415	0.6
79.90810	0.4
87.53900	0.3
96.95956	0.4
98.18106	0.3
117.03481	25.5
118.03854	0.6
119.05027	3.8
121.02951	0.5
145.02968	100.0
146.03311	2.8
160.84270	0.5
162.83972	0.4
163.04053	3.6
300.99902	1.2
429.27182	0.4
443.65988	0.4
448.19144	0.4
453.30042	0.7
469.32993	0.6
613.05695	0.5
631.36438	76.9
632.36707	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	631.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61364	0.4
55.01870	1.5
57.03454	0.6
59.01152	0.3
59.01389	3.9
61.98832	1.2
67.01888	1.6
69.03455	0.9
69.29478	1.4
69.29906	1.5
71.01388	8.0
72.99277	0.7
73.02960	4.2
79.01895	2.4
81.03494	0.4
83.01402	2.4
85.02951	4.5
86.00099	0.6
87.00878	0.7
89.02442	1.5
91.51651	0.3
95.01407	4.2
96.96015	0.6
97.02943	1.3
99.00898	1.8
101.02456	6.4
107.01404	4.2
111.00888	1.8
111.93992	0.4
113.02441	3.0
123.00900	30.6
125.02454	16.2
131.03506	0.6
136.98880	0.5
137.02502	0.4
139.00392	9.0
140.01172	1.8
141.01958	3.8
151.00385	18.5
151.04016	0.4
153.01945	0.4
161.04553	0.7
165.01910	0.4
168.00638	1.3
169.01439	17.0
170.01765	0.5
192.52534	0.3
193.04822	0.3
273.00528	0.4
283.04678	1.8
300.99857	0.7
347.24207	0.6
352.88300	0.4
401.99564	0.4
459.74545	0.4
479.28305	0.6
487.34140	1.1
545.26526	0.4
613.04724	0.8
631.29681	100.0
632.29987	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	631.2779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.3
61.98835	1.2
62.03332	0.8
65.82477	0.8
69.55332	6.4
77.00705	0.8
88.98814	4.8
94.06633	0.9
95.05035	1.5
96.95996	2.0
105.05833	1.9
107.03796	5.3
110.06126	7.7
120.08207	50.5
121.05302	3.7
121.08515	1.1
122.06138	80.4
123.00890	1.2
123.06424	2.9
125.02380	2.2
128.60843	0.9
134.06105	2.8
136.07602	2.3
137.04811	1.5
138.05562	1.0
144.04546	8.4
146.06073	1.2
152.07199	1.6
160.04034	2.4
161.04829	2.0
162.05602	1.7
164.07103	2.4
165.05559	3.1
169.01373	1.2
172.03961	1.7
172.07668	1.2
173.04773	1.0
174.05621	7.6
186.05534	1.2
188.03520	2.1
195.75729	0.9
199.08739	0.9
200.07120	1.7
203.05907	7.7
204.06670	1.9
209.10782	0.9
213.10202	1.8
215.11884	1.9
222.07951	1.7
223.08664	3.1
223.12212	1.0
225.13844	2.8
227.11893	1.2
235.08510	1.1
236.09512	7.0
237.10362	5.9
238.11015	1.2
239.08171	1.1
239.11856	3.1
241.13359	3.0
243.14900	1.5
247.12386	1.2
249.10266	3.6
249.13951	4.4
250.07455	2.0
250.11069	3.9
251.07980	1.9
251.11897	33.3
252.12376	3.1
253.09845	1.5
253.13402	1.7
262.07431	1.8
262.10870	1.3
263.08289	6.4
263.11859	7.0
264.09048	6.4
264.12509	2.6
265.09836	2.5
265.13354	8.5
266.10486	2.9
267.11084	1.6
268.08417	2.9
269.09283	1.4
275.11737	1.5
276.09100	6.4
277.09839	34.5
277.12964	1.7
278.10559	14.5
279.11362	5.9
280.08694	1.5
280.11914	1.6
281.09216	2.4
281.12912	1.1
282.10144	4.4
283.10678	4.0
284.11490	1.5
285.04156	1.2
285.12466	1.9
287.13995	2.6
290.10550	1.5
291.11417	38.0
292.12195	42.6
293.12955	38.9
294.13550	4.9
295.10715	2.4
295.14188	2.0
296.08475	0.9
296.11569	3.6
300.99463	0.9
301.11850	1.4
306.10046	1.3
309.12436	1.2
310.09546	1.4
311.10385	2.0
312.10910	1.4
313.11929	2.5
319.10785	3.0
324.11163	8.1
325.11658	3.8
325.15271	1.4
326.12512	1.2
335.10422	13.0
336.11121	15.8
337.11938	10.6
338.12299	1.0
343.12869	2.6
344.13956	2.9
345.14798	1.6
346.15430	1.1
356.13809	1.9
358.15366	2.4
360.17102	5.2
362.18787	1.2
372.17273	14.6
373.17581	2.9
374.18597	3.9
385.14313	1.3
386.14957	2.7
388.16446	1.4
390.18320	7.0
400.16638	5.0
401.17044	1.5
402.18542	4.1
403.18933	1.9
404.16116	1.0
405.16776	2.4
406.17661	1.8
414.13043	1.2
414.18256	17.0
415.18988	6.2
418.17630	9.1
419.17691	1.3
432.19290	15.3
433.19955	2.5
436.18921	5.4
444.15134	1.0
446.16992	2.3
447.17575	1.6
458.17374	6.2
459.17847	6.0
476.18283	40.6
477.19037	18.9
478.19849	7.0
490.19937	14.7
491.20737	1.0
493.26431	1.2
495.24286	4.3
508.20914	85.8
509.21521	11.1
511.26953	1.3
513.24786	2.6
519.30176	0.9
525.24854	3.3
537.25110	17.1
538.25330	2.7
555.17761	1.4
555.26105	21.5
556.26062	3.4
557.23846	1.1
558.24426	1.5
566.33313	5.3
568.23523	1.1
569.23907	5.4
581.24097	21.8
582.24487	2.9
599.25146	100.0
600.25537	14.6
601.26862	4.1
613.26727	13.0
614.26752	2.4
631.27521	53.1
632.28107	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	631.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.34712	3.3
69.35119	12.9
95.04996	1.9
101.73851	2.0
107.03790	4.0
110.06135	9.1
120.08207	44.7
121.05351	3.9
122.06129	66.7
136.07697	2.7
144.04552	7.3
164.07150	3.6
174.05594	9.0
181.01439	2.4
200.07082	2.4
203.05867	5.3
215.11978	3.3
216.69128	1.9
223.08698	3.1
236.09589	6.4
237.10289	5.7
238.11191	2.9
249.10133	2.3
249.13951	2.3
250.07370	2.5
250.11174	2.4
251.11911	31.0
252.12523	4.2
263.08234	8.9
263.11862	5.2
264.08978	6.5
264.12448	2.5
265.09796	3.0
265.13434	10.6
266.10477	2.9
276.09021	5.7
277.09836	27.3
278.10590	11.1
279.11227	5.3
281.09424	4.8
282.10281	2.6
291.11441	35.5
292.09210	3.7
292.12207	40.6
293.12952	32.7
294.13232	3.8
295.10522	2.5
306.10065	2.4
313.11758	2.6
319.10672	2.6
323.10419	2.7
324.11115	6.7
325.11896	2.4
325.15488	2.6
335.10303	9.0
336.11188	17.4
337.11728	8.4
343.12967	4.0
344.13782	2.2
358.15619	3.1
360.17206	4.0
372.17245	9.6
373.17871	2.2
374.18787	3.1
388.16315	3.9
390.18158	5.5
400.16623	4.3
402.18140	5.5
406.17776	2.2
414.18219	17.0
415.19110	5.2
418.17651	6.3
432.19235	14.8
436.18634	5.1
458.17157	5.7
459.17923	5.3
463.60486	2.2
476.18320	32.8
477.19141	16.3
478.19992	3.3
490.19861	7.4
495.23972	2.9
508.20892	84.3
509.21262	15.2
525.25055	3.9
537.25031	16.7
555.25946	23.6
556.26685	4.1
562.78088	2.3
581.23993	11.3
599.25085	100.0
600.25781	11.7
613.26630	8.0
631.27643	74.1
632.28088	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	631.2779
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
59.01362	4.5
66.35978	1.8
69.25256	14.7
71.01376	2.0
95.05030	1.9
96.96010	4.6
98.20641	4.7
107.03764	3.6
110.06106	11.7
116.50930	2.0
119.28568	2.3
120.08213	28.0
121.05318	2.5
122.06133	96.2
123.06488	2.1
125.02403	3.2
134.06104	4.1
144.04585	3.8
154.11333	2.1
161.04784	3.3
164.07182	2.8
165.05574	5.7
169.01465	3.6
169.03078	1.8
174.05632	10.5
188.03510	2.0
200.07088	2.3
203.05907	4.8
206.25780	2.0
223.08739	6.1
225.13916	4.2
236.09509	8.4
237.10368	11.9
239.11888	2.8
241.13620	2.9
249.10190	3.9
249.13963	4.0
250.07411	2.8
250.11102	7.5
251.11917	51.5
252.12468	4.7
253.09962	2.3
263.08170	4.3
263.11853	5.9
264.08929	8.4
265.09665	3.6
265.13373	6.4
266.10431	7.0
268.08618	2.7
276.09015	4.8
277.09827	23.6
278.10516	13.5
279.11359	7.8
282.10046	3.3
283.10834	6.8
284.11502	3.9
291.11475	26.1
292.12173	28.1
293.12915	31.0
294.13394	3.4
296.11624	3.1
297.12222	2.5
313.11954	4.0
324.11130	8.3
325.11792	3.5
325.15433	2.6
335.10303	8.6
336.11108	11.4
337.11832	9.3
343.12775	2.9
344.14087	3.3
346.19528	2.9
359.16483	3.1
360.16962	8.0
369.14172	2.5
370.19083	3.1
372.17181	21.0
373.17636	4.9
374.18719	10.4
386.14798	3.3
390.18207	21.9
391.18900	2.9
400.16577	2.2
402.18195	5.7
406.17685	6.4
414.18307	18.7
415.18796	4.8
418.17694	20.9
419.18573	2.5
422.19727	2.2
432.19241	21.2
433.20087	2.5
436.18732	22.3
437.18317	2.6
458.17331	4.9
459.17886	7.6
476.18240	29.7
477.18924	15.2
478.19693	4.9
490.19919	8.0
493.26135	3.3
495.23755	7.8
508.20923	50.6
509.21631	12.3
513.25177	8.4
514.25604	2.6
525.25140	3.2
537.25104	9.0
555.26349	17.4
556.25909	2.7
558.24536	5.7
569.24377	6.0
581.24121	15.8
599.25122	62.4
600.25165	10.2
601.26630	6.2
613.26703	19.3
614.26862	4.1
631.27515	100.0
632.28027	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83158	1.3
59.01373	4.4
61.98817	4.1
69.26996	7.3
69.27420	4.8
71.01401	2.2
79.89586	1.4
94.06604	1.9
95.05000	2.3
96.96033	7.1
101.02423	2.0
105.05829	1.5
107.01410	1.4
107.03763	3.9
109.35347	1.5
110.06122	6.8
120.08203	36.6
121.05334	3.3
122.06133	68.3
123.00871	2.8
125.02426	3.3
126.90398	2.4
128.90181	1.9
130.06635	1.3
134.06137	2.7
135.04573	1.9
144.04579	7.7
146.06125	1.8
151.00404	3.2
160.04050	3.1
164.07178	2.9
169.01382	5.3
174.05576	5.6
176.46506	1.3
177.03401	1.3
189.02199	1.3
199.01022	1.4
200.07100	1.5
203.05856	5.1
204.06783	2.9
225.13922	2.6
236.09489	4.2
237.10272	8.2
241.13493	2.5
243.75562	1.3
249.10208	2.5
249.14078	3.1
250.11012	5.6
251.11900	30.0
253.09979	1.9
262.07455	1.7
263.01895	2.3
263.08154	4.3
263.11823	4.9
264.09030	5.7
264.12738	1.6
265.09653	4.2
265.13461	6.9
266.10596	2.6
268.08563	2.7
276.09061	3.9
277.09821	20.4
278.10541	11.4
279.11292	4.6
281.09283	2.3
282.09988	1.8
283.10974	3.2
284.31174	1.3
285.04028	4.9
286.04349	4.1
287.14020	1.9
291.11374	21.1
292.08856	1.6
292.12161	28.6
293.09531	2.5
293.12927	30.0
294.13400	2.7
300.99908	4.1
311.10144	3.1
313.11780	2.1
319.10870	2.9
324.11087	6.2
324.14404	1.4
325.11853	4.5
325.15350	1.4
326.12479	2.0
335.10507	7.2
336.11002	8.0
337.11942	7.7
343.13104	4.2
344.13654	2.2
358.15567	2.2
360.17197	3.8
370.19415	1.6
372.17291	8.4
373.17752	2.9
374.18616	5.4
377.17435	1.7
386.14575	2.0
390.18082	5.6
400.16800	3.4
402.18152	3.7
414.18164	13.1
415.18945	5.1
418.17645	7.7
432.19348	10.1
433.20163	2.3
436.18677	5.2
441.16852	2.2
458.17209	5.7
459.18066	5.8
476.18311	23.0
477.18976	18.6
478.19388	2.9
490.19983	2.7
508.20874	41.7
509.21448	7.1
513.25073	1.6
537.25122	15.8
541.21442	1.5
555.26074	25.8
556.26935	3.5
569.14899	1.7
569.24036	3.0
581.23981	14.9
582.23718	2.2
599.25140	100.0
600.25574	12.3
613.26453	7.0
631.27313	64.7
632.27655	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	631.0581
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46521	1.3
65.00340	1.7
67.01918	2.0
69.03467	2.9
69.49868	5.1
69.50297	5.9
71.01384	1.6
79.01913	1.7
89.17562	1.3
89.90602	1.6
95.01403	15.5
97.02940	1.6
98.20671	3.0
107.01389	4.1
115.01906	1.5
117.03482	4.3
119.05058	1.8
121.03007	1.6
123.00893	30.2
125.01534	2.8
125.02456	51.1
129.03575	1.7
133.02980	4.6
139.00385	2.3
139.04140	1.4
145.02968	17.7
147.04514	4.1
149.02304	1.5
157.02937	2.2
159.00929	1.7
160.01677	2.5
161.02432	18.9
163.00409	5.4
163.04002	6.1
165.01984	2.0
166.99864	35.1
169.01440	60.1
171.00887	2.4
172.01704	2.5
173.02495	13.4
175.03998	6.2
176.01067	2.2
177.01877	3.9
178.45157	1.4
185.02426	3.6
187.00417	2.5
187.04010	1.9
188.01166	2.7
189.01968	18.2
190.02663	4.4
191.03543	9.8
199.00374	3.8
200.01108	4.6
201.01964	21.7
203.03494	5.4
213.01965	2.9
214.02623	1.5
214.99861	3.9
216.00635	3.5
217.01407	27.1
218.01910	3.3
219.02922	4.2
226.99950	7.1
228.00581	2.0
229.01456	15.4
230.02158	3.6
231.03003	4.4
232.00072	1.8
235.02473	3.0
241.05075	1.6
242.99318	6.1
243.03030	3.4
244.00136	3.4
245.00912	48.6
246.01367	3.4
247.02542	15.0
249.04164	2.2
254.99483	2.7
256.84866	1.7
257.00888	9.8
258.01584	2.8
259.02383	4.3
259.99356	2.0
261.00467	7.6
263.01926	4.1
269.00885	2.7
270.98904	12.9
271.01880	2.2
271.99472	6.3
273.00427	80.8
274.00934	4.5
275.02014	13.7
283.99619	2.8
285.00418	4.1
287.02219	1.6
288.99844	4.1
291.01382	4.4
298.98325	19.3
299.99112	19.1
300.99905	100.0
302.00339	4.7
312.99960	4.5
315.01593	4.0
316.99362	5.4
343.01062	4.1
377.05093	2.0
389.04977	3.9
405.04523	2.8
417.04663	6.5
419.05988	1.8
422.61520	1.7
433.04053	11.1
443.02798	7.9
445.04160	54.8
446.04425	4.9
461.03726	17.1
463.05170	37.2
464.05423	3.7
479.04599	2.5
569.05286	2.8
587.06671	2.0
603.05725	2.2
613.04877	15.3
642.19775	1.8
650.56085	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	631.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	1.4
61.98847	1.6
65.00327	1.7
67.01911	1.8
69.03465	2.3
69.78695	2.5
69.79100	4.0
71.01385	1.7
79.01907	2.2
81.03463	1.2
87.99641	1.1
95.01407	15.0
96.96008	1.8
97.02976	1.9
100.08257	1.1
105.03461	1.9
107.01394	5.2
111.46085	1.2
112.87799	1.2
114.61642	1.2
117.03475	5.9
119.05042	4.5
121.03018	2.0
123.00900	29.5
125.02459	58.4
126.02831	1.5
129.03468	2.2
131.01372	1.6
133.02954	5.2
135.04527	2.2
137.02434	1.3
139.00392	3.9
141.01962	1.3
143.01364	2.3
145.02980	16.2
147.00839	1.4
147.04501	3.5
148.01651	2.5
149.02443	1.4
151.00337	1.8
156.02290	1.1
157.02937	3.0
159.00896	1.3
159.04495	2.5
160.01706	2.7
161.02457	16.5
163.00363	4.2
163.04036	7.8
165.01979	2.1
165.69458	1.0
166.99872	39.4
169.01443	75.3
170.01828	1.7
171.00917	2.9
172.01685	1.5
173.02443	17.7
174.03203	1.3
175.03990	4.2
176.01097	2.6
177.01942	2.7
177.05415	1.2
179.03487	2.5
185.02483	4.7
187.00342	3.9
187.03949	2.8
188.01143	1.6
189.01942	21.4
190.02666	1.7
190.99974	2.0
191.03467	7.4
192.00496	1.3
193.01509	2.8
199.00336	3.7
199.04027	1.9
200.01135	2.1
201.01929	18.9
202.02562	2.6
203.03493	4.6
205.01421	2.4
207.03201	1.1
207.99986	1.4
209.01083	1.5
213.01898	2.7
214.99818	5.1
216.00615	3.7
217.01434	26.5
218.01923	1.3
218.99298	1.4
219.02975	5.2
226.99794	4.7
227.03574	2.0
228.00652	1.8
229.01443	15.4
230.02234	3.7
231.03035	5.7
232.00055	1.6
233.00993	2.9
233.97983	1.6
235.02434	1.5
241.01421	2.5
242.99409	6.5
243.03021	3.0
244.00078	4.2
245.00926	49.1
245.03438	2.6
246.01376	3.9
247.02548	13.2
249.04027	1.9
255.02948	1.8
257.00937	10.4
259.02325	2.7
259.99725	1.7
261.00351	5.5
263.01923	3.9
263.05496	2.0
269.00894	2.3
270.98889	15.2
271.01883	2.1
271.99496	2.4
273.00433	87.0
274.00989	6.5
275.01999	13.6
283.99390	2.6
285.00446	3.9
286.98587	1.2
287.01971	3.0
288.99960	3.6
291.01456	6.3
298.95197	0.9
298.98322	25.5
299.99078	17.5
300.99908	100.0
302.00259	6.8
307.04538	1.9
312.99829	4.6
313.05664	4.4
315.01462	3.1
316.99323	4.8
340.99265	2.4
343.01007	4.9
389.05090	4.1
405.04898	5.5
417.04581	7.0
433.04071	12.0
443.02493	8.3
445.04153	60.2
446.04395	3.9
461.03693	20.4
463.05215	43.1
464.05603	4.0
479.04733	3.5
569.05933	3.8
601.15680	4.1
603.06189	1.8
613.04608	10.1
613.14215	1.8
614.05481	1.8
620.85950	1.4
631.14276	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	631.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63374	2.0
68.57116	1.9
70.07082	6.8
93.09380	2.3
95.01395	17.9
97.02969	2.8
107.01375	4.2
108.04664	1.9
117.03461	6.4
119.05020	3.9
123.00898	34.6
125.02460	61.6
131.01396	2.4
132.02237	2.3
133.03033	4.9
139.00360	2.6
143.01480	2.8
145.02953	14.9
147.04510	6.1
149.02301	2.1
157.02907	3.3
159.00887	2.2
159.04550	2.7
160.01584	3.2
161.02460	20.0
163.00356	5.3
163.04033	7.8
166.99870	37.9
169.01439	71.6
171.00836	3.6
173.02444	17.2
175.04076	4.3
177.01949	4.8
179.03400	3.0
185.02483	5.5
187.00400	3.7
188.01099	3.0
189.01950	27.3
190.02800	4.1
190.99760	2.5
191.03537	10.2
197.02588	2.3
199.00323	3.7
200.01088	5.3
201.01941	18.1
203.03532	5.6
205.01448	3.2
214.02783	2.6
214.99864	6.0
216.00572	4.3
217.01428	35.2
226.99876	5.7
228.00674	2.7
229.01390	18.3
230.02032	3.1
231.02960	7.7
241.01442	2.6
242.99368	7.1
244.00169	5.6
245.00938	64.9
247.02544	14.3
249.04109	4.2
257.00937	10.3
258.01572	3.6
259.02490	4.9
259.99506	2.9
261.00439	6.1
270.98895	18.9
271.99744	4.1
273.00436	84.7
274.00992	5.8
275.01984	11.1
283.99496	3.1
285.00262	3.9
287.02069	2.6
288.99933	4.2
291.01437	6.9
298.98419	22.4
299.99176	24.3
300.99924	100.0
302.00287	6.5
312.99973	5.6
315.01407	5.1
316.99405	3.9
343.01074	5.6
377.05206	2.6
405.04504	5.5
417.04639	4.9
433.04077	10.0
443.02621	7.1
445.04202	60.0
446.04224	3.4
451.05359	2.9
461.03677	18.7
462.04117	2.6
463.05249	39.2
464.05301	4.5
479.04822	3.6
569.05786	4.5
612.16272	2.3
613.04852	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.0579
Annotation	Unknow
Peak:m/z	Relative Intensity
63.73229	1.3
65.00314	1.8
67.01904	2.2
69.03495	1.5
69.92142	1.4
71.01408	1.5
73.49230	1.7
79.01933	2.2
84.42323	1.4
89.04031	2.4
90.06796	1.4
91.04270	1.4
95.01412	13.3
97.02972	1.5
98.19848	2.6
105.03485	1.8
105.54139	1.4
107.01398	3.2
117.03483	5.6
119.05023	2.4
121.76753	1.5
123.00896	27.5
125.01541	2.6
125.02455	49.7
129.03511	2.8
133.02950	6.2
139.00450	1.8
145.02968	16.0
147.04559	3.4
157.02969	2.4
160.01700	3.3
161.02438	15.0
163.00368	3.6
163.04019	6.8
166.99872	32.7
168.00333	1.8
169.01454	61.7
171.00899	4.0
172.01697	2.7
173.02467	19.3
174.03230	2.4
175.04047	3.5
176.01199	2.5
177.01962	2.7
179.03586	1.8
180.20103	1.5
185.02405	4.4
187.00423	4.1
187.04063	2.4
188.01109	1.7
189.01950	19.7
190.02675	3.8
190.99922	1.9
191.03477	8.4
192.00655	2.2
199.00359	2.6
200.01149	4.8
201.02025	15.5
203.03484	6.3
205.01428	2.5
213.01920	4.6
214.02846	1.7
214.99818	4.3
216.00633	5.4
217.01442	23.2
218.02138	1.6
219.03046	2.6
226.99899	4.1
227.03496	1.8
228.00758	1.7
229.01379	18.2
229.03371	2.1
230.02104	4.3
231.02940	4.9
233.00861	3.7
235.02390	2.0
241.01625	2.1
242.99385	4.6
244.00125	4.5
245.00919	44.1
246.01344	2.1
247.02457	12.9
257.00958	9.6
259.02429	3.7
261.00372	5.6
263.02014	3.7
269.00967	2.9
270.98901	16.5
271.01892	2.7
271.99570	3.4
273.00436	76.1
274.01068	5.7
275.02072	12.5
283.99591	2.7
285.00443	3.5
287.01889	2.8
288.99976	2.5
291.01547	3.5
298.98361	22.7
299.99155	22.4
300.99918	100.0
302.00275	4.7
312.99933	5.9
313.05865	1.9
315.01501	4.4
316.99365	5.4
329.51242	1.5
340.99271	2.8
343.00974	4.3
389.05383	3.2
405.04718	5.6
417.04614	5.8
433.04071	14.9
443.02618	7.1
445.04129	62.8
446.04413	3.9
461.03644	18.4
462.04355	1.6
463.05252	35.6
464.05368	3.2
479.04575	2.5
569.05872	4.6
603.06403	2.5
613.04919	11.7
614.04828	2.5
631.05078	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	629.2622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82526	0.6
55.99462	0.5
58.71169	0.7
59.01386	11.7
61.98840	2.4
68.99574	1.8
70.71079	1.2
70.71393	0.9
71.01395	0.6
80.05042	0.8
85.02961	0.7
86.73582	0.6
90.19589	0.6
94.06630	1.5
95.05023	0.8
96.96017	6.4
99.35281	0.6
106.06679	0.9
110.06122	7.0
112.98573	1.6
116.11289	0.6
120.04572	0.8
120.08200	3.7
121.05363	3.8
122.06136	27.5
123.06459	0.6
125.02460	1.1
130.06677	1.9
132.04520	0.8
134.06154	9.0
144.04568	2.4
159.05635	1.1
160.04054	0.9
160.06458	9.4
161.04877	2.6
162.05679	1.2
169.01430	2.4
173.04932	0.9
174.01758	0.9
174.05650	8.0
188.03569	1.0
193.03816	1.3
197.07149	1.5
198.07825	0.9
198.12881	1.4
203.05907	2.8
203.11905	2.0
211.08850	1.1
213.10353	42.4
214.10649	2.4
215.11879	2.3
223.08783	2.0
225.10286	3.8
226.11131	4.9
235.08754	0.7
236.09482	1.7
239.11934	21.8
240.12221	1.0
241.09790	0.9
241.13480	22.8
242.13802	1.5
247.08760	0.8
249.10399	1.1
251.11888	4.4
267.11490	1.5
281.09387	1.8
282.09851	0.9
283.10767	4.5
285.12463	100.0
286.12704	5.0
291.11557	1.4
293.12973	7.2
293.21289	0.7
301.11926	5.0
309.12619	0.8
311.10373	2.4
312.10931	1.1
313.12000	1.7
314.12985	1.2
325.11884	0.9
328.10953	2.1
328.14639	1.5
329.15457	2.1
330.16107	3.0
341.11469	1.8
342.12570	1.5
342.16196	1.1
343.13098	9.1
344.13937	1.3
344.17776	2.4
345.18430	1.6
352.14484	0.8
354.12363	1.1
354.16299	3.6
355.13309	2.0
356.14063	9.8
357.14810	2.8
358.15411	1.1
368.13785	0.8
368.17679	2.0
369.14554	2.6
369.18668	1.5
370.11002	1.2
370.15604	19.9
371.16394	5.2
372.17184	6.4
382.11938	2.2
383.12628	1.5
384.13480	2.9
384.17685	1.1
385.14014	1.5
385.18341	0.9
396.13446	1.9
397.14273	2.0
398.15173	16.3
399.15829	1.3
403.15268	7.1
412.16727	11.0
413.17410	9.0
416.15958	1.5
428.16025	1.5
430.17398	0.9
456.15445	0.8
457.16226	1.0
478.20352	0.7
479.20251	0.9
481.22488	1.4
485.25516	2.9
491.24207	1.1
493.22269	4.6
495.20630	0.8
511.23544	14.5
512.23846	2.3
515.25079	2.1
523.23651	5.4
525.20770	0.7
529.23694	1.0
535.23560	29.1
536.23810	3.2
538.21948	0.9
553.24603	65.3
554.24799	8.8
555.22302	0.8
556.23450	3.5
557.23749	0.8
567.22437	1.0
579.22522	10.4
580.22845	0.8
585.26880	1.5
597.23584	82.5
598.23834	9.3
611.25098	3.6
629.26129	33.3
630.26385	3.9
659.00153	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45466	1.8
59.01384	14.3
59.17764	1.5
61.83929	1.6
61.98837	22.1
68.99574	2.8
71.01396	5.4
73.02932	2.3
78.95902	3.5
84.95107	2.3
85.02969	3.2
88.98832	4.0
89.02449	2.7
93.36707	1.7
96.96026	34.5
96.96974	2.7
101.02431	3.6
107.01397	2.5
110.43018	2.0
112.98609	4.0
120.08213	13.9
121.02933	3.5
122.06139	18.9
123.00880	3.6
125.02483	9.3
133.02933	8.7
134.06081	1.8
135.04642	1.8
136.05399	2.4
136.07661	3.2
138.01866	2.1
149.02498	2.2
151.00403	6.9
151.07640	10.5
169.01462	16.4
171.10292	3.0
175.04030	2.4
199.04074	2.7
217.05162	1.9
220.33847	1.8
221.11835	2.9
241.13416	2.3
253.09671	2.1
257.13071	10.1
282.10062	2.2
283.10660	2.0
285.04062	100.0
285.12457	3.7
286.04465	6.3
291.11356	2.1
300.99863	2.9
301.11835	14.2
311.10468	4.3
330.12537	6.1
333.16129	2.8
342.12317	4.0
344.13989	9.1
345.14609	3.0
358.15594	7.9
359.16086	2.6
360.17242	17.3
372.17319	3.7
386.14847	4.1
388.16785	6.8
389.17493	4.1
390.18042	2.6
400.16577	7.7
401.17377	2.2
404.16132	7.2
412.16791	2.3
416.15982	3.2
430.18042	9.6
431.18402	6.4
431.24139	2.8
434.17148	23.0
474.17065	14.9
475.17133	7.4
506.19516	16.3
507.20035	6.0
509.25888	2.4
553.24579	43.9
554.25079	5.6
597.23694	20.1
598.23663	3.1
629.25696	38.5
629.38904	7.0
630.26062	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	629.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67699	1.1
54.31160	1.3
59.01382	10.3
61.98824	7.8
65.00343	1.1
68.99597	2.4
71.01377	1.9
71.57832	1.9
75.25297	1.2
76.11236	1.2
78.95883	1.1
85.02987	1.9
89.02397	1.1
94.06654	1.5
96.96020	4.0
101.02480	1.4
102.22714	1.4
107.01411	2.1
110.06127	5.0
112.98547	2.6
120.08195	4.0
121.03002	1.4
121.05306	1.9
122.06133	16.9
123.00909	1.6
125.02464	2.1
133.02968	8.9
134.06146	6.7
144.04515	1.8
151.00414	4.3
151.07605	1.5
160.06436	4.7
161.04819	3.5
162.05640	1.7
169.01453	3.4
174.05602	5.4
175.04095	2.6
179.10831	2.8
191.03531	2.1
193.03819	1.4
199.03970	2.2
213.10349	22.9
217.05006	1.5
225.10501	1.5
226.11153	1.8
239.11888	12.8
241.13522	13.1
249.10358	1.5
251.11948	1.8
263.08383	1.7
277.09720	1.5
283.10968	5.3
285.04074	100.0
285.12463	57.3
286.04517	6.6
286.12775	3.3
293.13022	3.6
301.11920	3.5
311.10477	1.9
313.12216	1.6
328.10959	4.8
330.15948	1.9
340.10852	2.5
341.11737	2.7
342.15979	2.2
343.13153	6.2
344.17740	2.8
354.16144	4.2
356.14130	8.6
368.17554	1.7
369.14520	2.0
370.15677	15.8
371.16281	3.4
372.17172	6.5
385.13950	1.7
385.18399	1.6
397.14108	2.5
398.15094	10.8
403.15399	5.3
412.16864	6.6
413.17325	5.4
431.25052	1.5
445.16052	2.2
481.22482	1.8
485.25519	4.7
491.24649	2.3
493.22580	4.8
506.19122	2.0
511.23624	10.9
512.24402	1.7
517.06476	1.4
523.23511	4.1
535.23572	17.6
536.23938	1.6
541.85162	1.7
553.16144	2.5
553.24585	45.3
554.24860	4.2
554.75275	1.3
556.23376	5.2
578.23529	1.2
579.22571	8.3
580.23309	1.6
585.27161	2.9
591.27930	3.7
597.23608	52.4
598.23853	4.5
611.25696	3.2
629.18372	8.8
629.27100	25.1
629.37823	2.9
630.27008	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	629.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.5
61.98823	0.5
66.80288	0.1
69.48618	1.2
71.01385	0.3
78.95913	6.3
79.95746	3.3
89.02489	0.2
96.96024	100.0
96.96926	9.0
97.95972	0.2
98.19881	0.3
101.02416	0.2
117.03445	0.3
118.93168	0.2
119.05040	0.4
123.00893	0.2
125.02460	0.7
137.02383	0.2
145.02989	1.6
150.03278	0.4
151.00430	0.4
163.04063	0.4
165.01855	0.3
165.05577	0.4
169.01428	0.9
181.05135	0.2
195.06648	0.3
216.36490	0.2
223.17038	0.4
225.07840	0.2
249.14969	0.2
261.00378	0.2
267.16031	0.4
273.00861	0.1
285.04114	0.4
287.05490	0.2
301.00278	0.2
306.81897	0.2
429.21570	0.2
431.23114	0.2
433.14767	0.2
477.14108	0.7
531.22369	2.0
567.24451	0.2
593.12811	0.3
629.22028	0.2
629.32990	0.9
647.40424	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.191
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89530	0.2
59.01377	0.8
61.41443	0.2
61.98839	0.7
62.96951	0.2
65.18892	0.2
68.00282	0.2
69.53494	1.1
71.01376	0.3
78.95914	8.8
79.95753	3.2
84.13219	0.2
89.02461	0.2
96.96024	100.0
96.96933	10.6
117.03497	0.5
119.05050	0.4
122.06154	0.4
125.02454	0.9
137.02423	0.3
145.02988	1.9
150.03285	0.6
161.02441	0.2
163.03920	0.5
165.05568	0.2
167.66397	0.2
169.01463	0.7
180.04305	0.2
181.05067	0.2
195.06625	0.2
200.81238	0.2
213.10373	0.2
241.13721	0.3
276.09045	0.4
285.12592	0.6
291.11414	1.0
299.99249	0.8
300.99860	1.1
370.15561	0.4
373.13034	0.3
384.13419	0.3
398.15076	1.1
404.20236	0.3
412.16623	0.7
413.17578	0.9
445.16354	0.2
457.16562	1.2
483.32227	0.2
531.22528	2.0
532.22467	0.2
535.23822	0.5
553.24738	1.9
585.27155	0.3
597.23578	2.0
627.13971	0.2
629.14783	0.4
629.25867	1.6
633.06952	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.4
61.98835	0.5
69.48287	1.1
69.48696	0.3
71.01392	0.3
72.99290	0.2
78.95912	6.7
79.95742	2.6
80.96514	0.2
85.02968	0.2
85.67290	0.2
87.93002	0.2
95.97617	0.2
96.96023	100.0
96.96930	9.9
97.95948	0.3
117.03455	0.3
119.05014	0.3
123.00909	0.4
124.72358	0.2
125.02467	1.0
126.02956	0.2
145.02972	1.6
151.00351	0.3
163.04041	0.4
165.01888	0.2
165.05649	0.5
169.01488	1.1
179.03497	0.2
180.04276	0.2
182.29311	0.2
195.06670	0.3
223.17090	0.2
267.16141	0.4
269.04501	0.3
285.04111	0.5
300.99860	0.3
325.80804	0.2
369.94553	0.2
383.13528	0.2
403.14371	0.2
477.14255	0.5
531.22400	2.2
532.22906	0.2
533.45331	0.2
567.24255	0.3
593.13104	0.3
629.22296	0.6
629.32288	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.5
61.98827	2.7
67.01891	0.8
69.03458	1.5
71.01389	5.9
72.01688	0.5
72.99316	0.9
73.02932	0.7
78.95917	1.8
79.01904	0.9
79.95762	1.0
85.02972	1.6
88.98788	0.5
94.98058	0.6
95.01382	3.0
96.96022	23.9
96.96928	2.3
97.02951	0.6
101.02453	1.7
103.59565	0.4
107.01408	7.6
107.05019	0.5
109.02984	0.8
110.00153	0.5
111.00890	2.3
113.02457	1.7
118.57968	0.5
119.05057	0.5
120.99648	0.6
121.02952	0.6
122.06138	1.5
123.00891	10.0
123.04537	0.8
124.01678	1.6
125.02460	50.4
126.02801	0.9
127.00380	0.6
133.02899	0.4
134.06190	0.6
135.04559	0.6
136.98827	1.1
137.02467	1.7
138.03194	0.6
139.00403	3.8
139.04024	0.7
139.79231	0.5
140.01160	3.0
141.01967	1.2
145.02972	0.8
147.04533	0.5
148.05338	1.2
149.02493	1.3
150.03227	0.8
151.00389	6.0
151.04045	0.7
153.01920	0.8
161.02431	0.9
163.04074	0.6
165.01903	0.6
166.99866	1.6
167.03558	1.2
168.00645	4.1
169.01437	69.8
170.01826	1.5
177.01970	0.5
179.03534	1.5
181.05132	0.5
191.03564	0.8
193.01451	4.3
201.11395	1.3
209.11810	1.8
211.02470	5.0
213.10338	1.9
223.02480	2.0
229.59346	0.5
235.02457	1.2
241.03467	0.7
241.13400	0.8
253.03514	1.4
280.05093	0.5
285.04095	1.0
285.12494	5.1
287.05621	0.6
293.12817	0.6
293.25940	0.5
295.04562	1.8
297.06299	2.5
300.99863	0.8
305.20059	0.6
313.05667	24.0
314.05930	1.6
347.14880	1.3
361.16641	0.7
362.16748	0.9
370.15732	1.2
373.12949	0.8
375.27557	0.7
398.14975	1.0
448.60028	0.6
465.06747	100.0
466.07144	7.1
466.67499	0.5
535.23401	2.0
553.24530	4.2
579.22522	0.8
597.23578	4.6
629.15216	11.0
629.24994	2.0
629.32019	2.0
630.15167	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76805	0.8
59.01385	1.3
61.98833	2.2
71.57220	0.7
73.02941	1.1
78.95909	1.1
80.05084	3.2
87.00882	0.8
87.10861	0.8
94.06651	0.8
96.96024	1.6
100.01189	0.9
101.02419	1.0
104.05055	1.8
105.05860	1.1
106.06650	1.7
107.03780	2.4
108.08205	5.5
120.08217	19.8
121.05362	3.5
122.06145	31.2
132.04558	2.3
134.06163	2.2
136.05362	3.2
136.07698	100.0
137.04919	0.9
137.08095	2.2
150.01984	0.9
153.04283	2.3
160.04082	2.3
164.07198	1.5
165.09222	0.9
169.01393	0.9
172.07489	0.9
174.05667	2.0
190.05103	3.8
197.11899	5.6
200.07195	1.3
210.08041	0.9
211.13618	3.8
223.08792	7.7
224.09531	2.2
225.10341	1.4
229.13524	4.7
233.10753	0.9
235.08536	1.1
235.12494	2.4
237.10400	7.6
238.11063	4.3
239.11986	5.9
249.06714	1.8
249.10301	1.5
250.07581	0.8
251.08311	4.5
251.11867	5.4
252.12604	1.1
261.10355	1.1
263.08221	4.8
264.09079	6.3
265.09796	4.7
266.10419	1.0
267.11179	0.9
271.10980	1.8
276.09164	1.3
277.09857	3.5
278.10748	3.9
279.11389	27.2
280.11890	2.4
281.12900	2.4
285.04080	3.1
291.11411	6.8
292.12100	1.9
293.12830	1.0
297.12381	1.9
307.10693	3.9
309.12372	3.4
323.10425	4.5
324.11172	2.2
325.12115	1.6
342.15961	1.1
360.16980	0.9
360.21011	0.9
372.17209	2.5
373.18109	1.1
373.23404	0.8
384.21213	1.4
386.18713	7.7
387.19363	2.5
391.25089	1.4
400.20334	2.3
401.21011	2.2
402.18127	0.9
414.18134	0.9
427.18906	1.9
428.19830	14.7
429.20544	3.3
430.17590	1.6
432.19461	4.9
432.24646	1.0
433.20044	1.7
445.19858	2.3
455.18393	2.5
464.54810	0.9
465.36176	4.8
472.18839	19.7
473.19574	20.4
474.20050	1.9
492.19983	0.8
504.21323	17.5
505.21945	3.8
507.27643	1.2
509.25476	1.3
545.30774	1.2
551.26721	28.6
552.26947	4.1
577.24811	2.4
595.25671	87.4
596.26202	8.9
609.33337	1.9
627.27808	16.3
628.28241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02280	0.5
59.01379	0.8
61.98851	0.7
76.45826	0.4
80.05085	3.2
96.96049	0.7
104.05077	0.9
105.05873	0.9
106.06622	1.0
107.03786	3.0
108.08206	6.0
120.08206	18.5
121.05347	6.0
122.06139	27.2
123.06403	0.6
132.04582	2.2
134.06180	2.2
136.07700	100.0
137.08041	2.4
148.04028	0.7
150.09279	0.7
152.03516	0.4
152.07150	0.6
153.04326	2.1
158.02515	1.1
160.04065	2.5
161.04807	0.7
162.05644	1.4
164.07184	1.7
169.36670	0.5
174.05634	1.5
190.05090	3.6
200.07147	0.6
210.08026	0.6
211.08865	0.5
211.12370	0.9
221.10880	1.1
223.08780	7.1
223.12341	0.6
224.09482	2.0
225.10332	1.7
229.13470	3.4
235.08662	0.7
235.12427	2.2
236.09544	1.3
237.10399	6.3
238.11145	5.3
239.11937	7.0
241.13443	1.1
248.09573	0.9
249.06717	1.2
249.10382	1.6
250.07571	0.8
251.08214	2.2
251.11938	5.1
252.12657	0.7
253.13461	0.7
261.10394	0.6
262.07413	0.8
263.08276	4.8
263.11896	1.2
264.09070	7.8
265.09793	4.0
265.13400	0.7
266.10513	0.9
267.11334	0.8
268.08313	0.5
271.10889	1.1
276.08972	1.2
277.09882	3.4
278.10580	4.6
279.11404	29.6
280.11880	4.0
281.12961	1.1
287.14044	0.6
291.11462	8.7
292.12167	2.2
293.12991	1.1
294.10178	0.6
294.13635	1.0
295.11023	0.7
295.14386	0.7
297.12375	1.7
305.09488	1.6
307.10931	4.0
309.12473	2.6
310.13333	0.5
322.09616	1.2
323.10455	3.2
324.11115	1.5
339.13489	1.9
342.16077	0.6
356.14026	0.5
358.19397	0.8
359.16592	0.6
360.17212	1.4
360.21078	0.9
371.16122	0.9
372.17044	2.3
373.17871	0.9
384.20966	1.2
385.18002	0.6
386.14331	0.5
386.18796	8.0
387.19437	2.8
388.20248	1.5
400.16043	1.1
400.21021	2.8
401.21106	1.9
402.17938	0.7
412.16321	0.8
414.18231	1.4
426.18213	1.3
427.19208	2.2
428.19806	14.6
429.20444	3.5
430.17831	0.6
431.18423	0.7
432.19308	4.8
433.19897	0.7
444.19275	1.0
445.19958	2.0
454.17795	1.4
455.18307	2.0
459.23856	0.6
472.18820	28.0
473.19498	20.2
474.19800	1.8
504.21463	36.6
505.21967	4.6
507.27487	1.0
509.25522	1.1
551.26697	25.6
552.26837	4.0
553.24921	0.6
567.26263	0.8
577.24512	1.1
595.25665	74.9
596.25922	9.8
624.51074	0.5
625.47699	0.6
627.28162	14.5
628.28650	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	627.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29463	1.3
59.01386	70.1
60.76838	1.4
71.56253	2.1
71.56642	1.7
93.03452	2.8
96.96004	3.6
97.02975	1.4
121.02946	3.8
122.03734	7.4
125.02446	5.4
149.02452	28.1
150.03246	60.7
161.02446	8.2
164.04787	8.2
165.05576	87.5
166.05913	3.4
169.01416	6.1
176.04755	5.4
179.03473	12.5
180.04272	6.5
191.07231	1.9
194.05827	12.4
195.06635	100.0
196.06958	3.6
209.08195	40.6
271.04639	4.5
300.99991	2.3
342.11111	5.8
357.13480	42.3
358.13461	3.3
405.15573	29.4
406.15665	2.6
475.47079	1.9
537.19641	2.7
627.15454	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	627.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	38.4
61.10526	0.9
69.35570	5.1
69.35977	2.3
71.01357	1.3
85.02947	1.0
87.00885	1.1
88.98805	1.2
93.03468	1.4
96.96006	4.2
101.02428	1.2
109.02982	0.9
117.85296	0.9
121.02934	1.5
122.03761	6.7
125.02449	2.1
149.02458	9.0
150.03246	53.7
151.03799	1.5
161.02446	6.5
164.04761	2.3
165.05582	76.3
166.05850	2.0
169.01414	3.4
169.23756	0.9
171.72142	0.9
176.04784	2.9
179.03537	10.2
180.04291	3.7
191.07121	1.9
194.05847	11.7
195.06642	100.0
196.06955	3.3
209.08202	45.4
210.08569	1.8
211.02432	1.2
271.04639	2.2
299.99088	3.1
300.99921	4.2
334.00443	1.0
357.13275	1.8
388.15561	0.9
405.15515	6.9
451.53821	1.1
463.99734	0.9
627.18988	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25683	0.6
59.01377	1.9
60.99316	6.2
69.82060	0.7
70.12975	0.7
71.01376	1.1
71.04471	1.3
71.28997	0.6
71.35569	0.6
79.01862	0.7
85.02950	0.8
88.98817	37.0
89.02462	0.7
101.02415	0.8
107.01395	2.6
111.00856	1.3
123.00900	7.2
125.02450	10.9
136.98914	0.8
139.00368	3.0
140.01143	1.5
141.01959	1.1
147.46918	0.7
151.00372	4.8
159.09993	0.6
163.02519	0.7
168.00610	3.2
169.01437	11.9
205.12363	1.0
211.02498	4.1
263.07678	0.7
271.04663	4.3
299.99234	1.5
313.05789	1.3
537.19806	100.0
538.20258	9.8
545.61938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36450	0.5
56.36543	0.5
59.01392	1.9
61.98830	1.1
66.51633	0.5
71.01391	2.2
71.56203	0.5
71.56616	0.9
72.99348	0.5
83.01418	0.6
83.15343	0.5
83.97255	0.5
85.02958	1.8
88.98830	1.0
89.02463	0.6
89.15743	0.6
93.03491	1.1
95.01398	1.3
96.96009	6.4
96.96958	0.8
101.02450	1.0
107.01347	0.5
109.02978	0.8
109.51927	0.5
113.02447	0.7
117.03473	22.7
118.03817	0.8
119.05033	16.7
120.05382	0.5
121.02979	1.2
123.00889	1.9
125.02466	7.8
133.02974	0.8
133.06625	0.7
134.03770	2.9
135.04543	3.2
136.01669	10.8
137.02486	1.7
145.02963	100.0
146.03279	2.7
149.02518	0.7
149.06050	1.1
151.00421	0.9
151.04042	8.6
152.04684	0.6
153.01917	0.7
153.05615	1.9
157.02943	0.7
159.04541	0.8
161.02463	1.7
161.06096	1.6
161.96689	0.5
163.00400	0.8
163.04016	14.8
169.01460	5.2
173.02408	1.0
175.03998	1.5
177.01906	0.7
178.99916	1.1
185.02444	2.5
185.06058	1.4
187.04045	2.1
187.52080	0.6
191.03423	1.0
199.64334	0.5
201.01949	2.2
203.03539	1.9
212.04796	0.9
213.02155	0.5
213.05617	7.0
223.03966	1.2
224.04710	1.2
229.01418	3.1
231.03000	0.8
241.05075	36.4
242.05656	2.6
245.00868	1.4
247.06126	1.3
249.04124	1.5
255.06786	0.7
256.07437	25.4
257.00946	2.0
257.08008	2.8
271.09781	38.7
272.10101	1.7
274.01340	0.8
275.01932	4.1
283.99536	1.4
285.00607	1.1
285.04083	2.1
299.99222	1.6
300.99915	68.0
302.00339	4.1
303.05032	0.9
305.10312	5.7
307.08240	84.9
308.08502	3.9
313.46249	0.6
319.11984	3.2
383.67007	0.7
429.41550	0.7
463.05106	1.9
484.14963	0.6
509.30017	0.6
537.19830	0.8
579.18817	2.8
580.19232	0.7
609.12598	1.3
627.09875	14.9
627.20929	14.3
628.10059	1.7
628.21576	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	623.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24871	1.1
53.55606	1.0
59.01386	100.0
61.98836	17.6
65.00303	1.2
68.99581	2.9
71.01373	3.7
71.01717	2.6
78.95901	2.6
83.01393	5.4
85.02977	2.0
88.98801	1.2
89.02460	2.3
96.96008	9.0
96.99315	1.5
101.02457	1.7
111.00908	1.3
112.98546	3.3
113.02481	1.5
119.04941	1.6
123.00874	2.3
125.02444	5.0
137.02451	2.8
141.01714	65.3
142.02043	1.9
161.04651	1.8
168.00455	1.3
169.01381	6.2
175.03972	1.4
179.03645	1.2
194.13705	1.2
209.11902	1.2
215.10822	1.2
285.04053	2.7
336.22198	1.4
357.09613	2.6
357.13470	4.3
481.26559	3.1
587.24164	1.4
623.17285	2.0
623.27612	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	625.2674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	8.4
61.98817	2.3
69.22300	4.3
69.22739	5.4
72.79790	1.1
80.05074	13.2
104.05064	3.6
106.06647	3.3
108.08216	3.9
120.04565	2.2
120.08190	2.8
121.05334	8.1
122.06137	14.6
130.06606	1.0
132.04567	2.9
134.06152	7.7
136.07701	78.8
137.08061	1.6
137.92551	0.9
148.04039	2.6
153.04366	1.9
160.04063	1.5
160.06438	8.1
173.04787	1.0
174.05605	4.4
189.16241	1.1
190.05156	2.4
197.07224	1.5
198.12868	1.3
213.10355	33.8
214.10686	2.7
225.10365	2.5
226.11064	2.4
229.13481	9.3
230.13863	1.0
234.36780	0.9
239.09689	1.7
239.11932	22.3
239.25140	0.9
240.12450	1.3
241.13478	18.1
249.10478	1.1
251.11896	3.0
251.69284	1.0
263.08243	1.4
265.09726	2.0
265.13550	1.0
267.11398	1.2
271.08258	1.1
279.07813	1.0
279.11328	6.0
285.12479	83.8
286.12698	2.4
293.09662	1.8
293.12915	10.9
297.12427	7.2
300.99878	1.9
307.10938	8.8
309.12500	3.6
316.14621	2.2
328.10867	3.3
332.17688	1.7
339.13632	4.9
340.14529	2.3
342.12460	3.2
343.13202	4.3
344.14078	3.2
356.14001	1.6
356.17856	1.5
357.14911	4.1
358.15695	21.0
359.15915	2.6
368.10281	1.7
369.14474	1.9
370.11911	2.6
372.17120	2.6
384.13437	5.8
385.14322	1.4
396.13638	1.6
398.15192	1.2
400.16672	16.9
401.17041	1.7
412.16486	5.5
481.26208	3.6
492.21609	1.8
505.25806	2.2
507.24103	18.9
508.24509	2.2
521.25537	2.3
525.25171	2.2
549.25146	96.9
550.25336	13.8
552.23523	3.8
565.24774	1.4
575.22870	2.1
581.28778	1.2
593.24127	100.0
594.24402	13.9
625.26630	12.8
626.26929	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65853	0.4
55.01917	0.7
57.03490	0.5
58.00637	0.4
59.01437	6.4
60.01740	0.6
61.98872	1.0
65.00351	0.4
67.01949	1.1
69.03526	1.4
69.40479	3.2
71.01457	8.0
72.99380	1.1
73.03024	1.7
75.00909	0.4
78.95995	0.4
79.01963	1.5
81.03532	0.5
82.95497	1.3
83.01474	1.8
84.95201	1.3
85.02959	2.7
87.00955	0.9
87.04572	0.6
88.98898	0.6
89.02456	3.7
89.06158	0.9
93.03471	7.9
93.13409	0.4
95.01389	3.6
96.96016	9.1
97.02470	0.7
97.03039	1.6
98.19801	0.6
98.95695	1.2
99.00977	0.6
101.02436	5.0
107.01402	6.7
111.00909	3.0
112.98853	0.4
113.02466	3.8
117.03551	0.7
119.03609	1.4
119.05091	1.0
121.02935	3.1
123.00900	21.0
124.01779	1.5
125.02458	38.1
126.91844	0.4
127.00465	0.9
136.98930	1.2
137.02467	9.2
139.00385	6.5
140.01172	4.6
141.01949	2.9
143.03622	0.6
145.02956	2.1
149.02477	0.6
150.03349	0.6
151.00374	11.3
153.01935	0.4
161.02467	0.4
161.04652	1.7
163.00569	0.4
163.04138	1.4
165.01910	0.5
166.99887	3.1
168.00668	5.5
169.01434	52.1
170.01866	1.6
173.02646	0.4
174.01761	0.5
179.05734	0.8
183.83580	0.5
201.01939	0.5
201.05710	1.3
211.02469	3.2
219.63231	0.5
237.07597	0.4
245.04564	0.5
251.11453	1.3
253.03516	0.4
271.04663	1.6
281.04602	1.0
289.03613	2.0
289.06601	0.4
300.99902	2.8
313.05624	2.3
385.11420	0.5
403.12473	100.0
404.12866	5.9
442.31589	1.2
443.32089	1.0
460.33710	0.5
461.12589	0.8
461.33145	0.5
471.09192	1.9
475.18158	2.5
533.13092	7.3
534.13422	0.8
551.14136	4.3
558.96490	0.4
622.37830	1.6
623.10309	6.0
623.19641	33.4
623.38019	3.0
624.10480	1.0
624.19806	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	623.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50313	0.2
57.03440	0.7
59.01386	1.0
61.98824	0.8
63.02408	1.1
65.00322	1.5
67.01884	0.5
68.02612	0.2
69.03481	0.2
69.93468	0.2
71.01389	1.7
71.57610	0.3
71.57976	0.2
72.99310	1.0
73.02946	0.6
75.00864	0.2
78.95910	0.4
79.01898	0.5
83.01398	1.2
85.02947	0.5
87.00851	0.2
88.98803	1.4
89.02455	0.7
89.06100	1.8
95.01372	0.9
95.05045	0.2
96.96019	6.0
96.96976	0.4
97.02953	0.4
98.95577	0.6
101.02486	0.8
105.03469	0.4
107.01410	3.9
109.02940	0.7
111.00886	1.4
113.02443	0.4
117.03490	0.3
119.05035	0.3
121.02969	5.8
121.88705	0.2
123.00903	5.8
123.04569	0.2
124.01680	0.6
125.02456	6.2
127.00365	0.2
132.02174	2.0
133.02969	8.7
134.03767	2.9
135.04535	1.8
136.98787	0.4
137.02477	0.4
139.00391	2.0
140.01173	1.5
141.01926	0.7
143.05078	0.3
145.02966	0.5
147.04488	0.5
149.02452	1.7
149.06071	0.4
150.03241	0.3
151.00378	7.5
151.04002	0.4
153.01949	0.2
157.02936	0.2
160.01675	6.0
161.02458	5.1
161.04500	0.4
163.04083	0.4
165.05499	0.2
166.99855	0.7
168.00679	2.1
169.00005	0.4
169.01448	7.2
170.01659	0.2
171.04488	0.5
173.05994	0.2
175.04016	6.1
177.01915	0.5
177.05542	0.4
179.03500	1.6
179.07103	0.3
181.05061	0.2
185.06082	0.4
185.99951	0.2
187.04005	0.4
189.05585	0.3
193.05081	0.8
195.06645	0.3
196.04918	0.2
197.06076	0.5
198.03262	0.3
199.03983	2.2
200.04590	0.4
201.01915	0.8
203.03557	0.3
211.02357	1.0
211.04189	0.4
212.04773	0.3
213.05531	0.6
215.03484	0.5
217.05099	1.4
221.04558	0.5
223.04018	0.3
223.06026	0.3
227.03459	0.6
229.05003	0.3
237.07608	0.7
239.03429	0.3
240.04247	0.3
241.05032	0.7
241.07141	0.2
242.05359	0.2
243.03123	1.0
251.11275	0.4
255.03038	1.0
256.03720	1.6
257.04514	0.8
263.05713	0.2
267.02847	0.3
269.04694	0.2
283.02414	0.4
284.03281	19.3
285.04056	100.0
286.04398	5.7
297.04080	0.3
298.04742	0.2
299.05630	7.1
300.05936	0.4
300.99915	0.6
313.03256	0.3
315.05197	0.2
323.07742	6.4
323.11539	0.3
324.07773	0.2
327.04968	0.3
337.09464	0.3
385.11447	2.3
402.11691	1.5
403.12482	9.2
404.12787	0.7
429.08340	0.3
447.09296	3.5
448.09509	0.5
455.99106	0.2
475.18225	8.6
476.18146	0.9
533.12964	3.2
534.13159	0.3
623.12683	36.3
624.13074	5.1
624.22504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50313	0.2
57.03440	0.7
59.01386	1.0
61.98824	0.8
63.02408	1.1
65.00322	1.5
67.01884	0.5
68.02612	0.2
69.03481	0.2
69.93468	0.2
71.01389	1.7
71.57610	0.3
71.57976	0.2
72.99310	1.0
73.02946	0.6
75.00864	0.2
78.95910	0.4
79.01898	0.5
83.01398	1.2
85.02947	0.5
87.00851	0.2
88.98803	1.4
89.02455	0.7
89.06100	1.8
95.01372	0.9
95.05045	0.2
96.96019	6.0
96.96976	0.4
97.02953	0.4
98.95577	0.6
101.02486	0.8
105.03469	0.4
107.01410	3.9
109.02940	0.7
111.00886	1.4
113.02443	0.4
117.03490	0.3
119.05035	0.3
121.02969	5.8
121.88705	0.2
123.00903	5.8
123.04569	0.2
124.01680	0.6
125.02456	6.2
127.00365	0.2
132.02174	2.0
133.02969	8.7
134.03767	2.9
135.04535	1.8
136.98787	0.4
137.02477	0.4
139.00391	2.0
140.01173	1.5
141.01926	0.7
143.05078	0.3
145.02966	0.5
147.04488	0.5
149.02452	1.7
149.06071	0.4
150.03241	0.3
151.00378	7.5
151.04002	0.4
153.01949	0.2
157.02936	0.2
160.01675	6.0
161.02458	5.1
161.04500	0.4
163.04083	0.4
165.05499	0.2
166.99855	0.7
168.00679	2.1
169.00005	0.4
169.01448	7.2
170.01659	0.2
171.04488	0.5
173.05994	0.2
175.04016	6.1
177.01915	0.5
177.05542	0.4
179.03500	1.6
179.07103	0.3
181.05061	0.2
185.06082	0.4
185.99951	0.2
187.04005	0.4
189.05585	0.3
193.05081	0.8
195.06645	0.3
196.04918	0.2
197.06076	0.5
198.03262	0.3
199.03983	2.2
200.04590	0.4
201.01915	0.8
203.03557	0.3
211.02357	1.0
211.04189	0.4
212.04773	0.3
213.05531	0.6
215.03484	0.5
217.05099	1.4
221.04558	0.5
223.04018	0.3
223.06026	0.3
227.03459	0.6
229.05003	0.3
237.07608	0.7
239.03429	0.3
240.04247	0.3
241.05032	0.7
241.07141	0.2
242.05359	0.2
243.03123	1.0
251.11275	0.4
255.03038	1.0
256.03720	1.6
257.04514	0.8
263.05713	0.2
267.02847	0.3
269.04694	0.2
283.02414	0.4
284.03281	19.3
285.04056	100.0
286.04398	5.7
297.04080	0.3
298.04742	0.2
299.05630	7.1
300.05936	0.4
300.99915	0.6
313.03256	0.3
315.05197	0.2
323.07742	6.4
323.11539	0.3
324.07773	0.2
327.04968	0.3
337.09464	0.3
385.11447	2.3
402.11691	1.5
403.12482	9.2
404.12787	0.7
429.08340	0.3
447.09296	3.5
448.09509	0.5
455.99106	0.2
475.18225	8.6
476.18146	0.9
533.12964	3.2
534.13159	0.3
623.12683	36.3
624.13074	5.1
624.22504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.1413
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
57.03510	0.4
59.01464	0.8
60.51401	0.3
61.98903	0.4
63.02480	0.7
65.00144	0.3
65.00428	0.9
69.69234	0.3
72.99401	0.7
83.01495	0.7
88.98924	1.3
89.06165	0.7
90.99348	0.4
95.01486	0.4
96.96136	4.9
98.19870	0.8
101.02527	0.8
107.01533	2.8
109.03045	0.5
111.00972	0.5
113.02564	0.6
121.02971	3.2
123.00900	3.1
124.01712	0.5
125.02464	3.3
132.02168	2.7
133.02025	0.3
133.02959	7.6
134.03796	2.4
135.04637	1.5
139.00511	1.3
140.01250	0.7
141.01984	0.4
147.04558	0.6
149.02478	1.7
149.06165	0.4
151.00386	6.8
159.04562	0.4
160.01665	7.2
161.02464	5.0
166.01015	0.4
168.00758	1.2
169.01456	4.1
169.02792	0.3
171.04697	0.5
171.93311	0.5
175.04028	6.5
177.01988	0.5
179.03651	1.3
193.05107	0.8
197.06181	0.5
199.04019	2.7
201.02055	1.0
205.72470	0.3
211.04161	0.4
213.05580	0.9
217.05174	1.0
221.04588	0.5
227.03551	0.8
239.03714	0.5
241.05139	1.0
243.03059	0.9
255.03055	1.0
256.03726	2.3
257.04550	0.4
269.04626	0.5
284.03290	22.6
285.04065	100.0
286.04395	5.2
299.05634	8.7
323.07672	6.4
327.05283	0.4
385.11319	1.5
402.11536	0.5
403.12537	4.4
429.08087	0.6
447.09372	3.2
475.18100	4.8
531.21887	0.4
533.13379	1.9
623.13281	46.6
624.13696	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	623.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	8.5
60.99327	2.4
61.98834	6.2
67.32297	1.1
69.03462	1.2
71.01386	6.6
71.04235	1.9
78.95911	4.3
79.95716	1.2
83.01383	1.5
85.02948	2.0
88.98816	13.6
89.02451	4.5
96.96024	46.3
96.96941	8.9
97.02944	1.9
98.95604	5.6
98.96387	1.3
99.00867	1.6
101.02480	3.4
107.01397	7.8
111.00897	1.7
113.02452	2.4
116.92879	9.0
117.03525	1.3
119.05038	3.3
120.01215	1.2
121.02971	4.5
123.00890	5.8
125.02464	57.9
126.02808	1.8
137.02394	1.8
139.00394	2.0
140.01183	1.5
145.02948	3.1
150.03195	1.7
151.00381	3.4
151.03906	1.1
161.04573	1.1
163.04008	3.1
164.01006	1.3
165.05515	1.8
168.00681	2.7
169.01448	100.0
170.01778	1.6
214.10170	1.3
245.00989	1.1
247.02621	1.4
299.99200	2.7
300.99875	4.1
315.01587	1.9
403.12421	6.9
417.08377	2.1
442.31598	2.2
471.12982	1.9
475.18002	2.8
533.12744	2.0
587.10382	14.2
622.26544	1.8
622.38049	3.2
623.18091	5.8
623.28296	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	621.219
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19059	0.5
54.93568	0.5
59.01389	2.5
60.99312	16.0
61.98831	2.4
62.57340	0.5
69.47395	0.7
69.47740	3.8
71.01389	2.0
72.99313	0.5
73.02934	0.9
78.95934	0.5
83.01424	0.5
85.02948	0.9
85.39561	0.5
87.00887	0.6
88.98814	100.0
89.02449	1.3
89.99152	0.6
96.20479	0.5
96.96024	10.8
96.96672	0.6
96.96975	1.5
98.95625	0.6
101.02476	1.4
113.02470	0.6
116.92880	2.3
117.01981	0.7
121.02958	0.5
123.00885	0.7
125.02457	2.3
136.01762	0.5
137.02446	1.3
145.02927	1.0
150.03249	1.3
163.04053	0.6
165.05580	1.9
169.01437	2.0
185.07161	0.6
189.01973	0.7
195.06624	1.8
198.34332	0.5
210.12642	0.5
223.13426	2.2
300.99875	1.1
341.10965	0.5
397.13559	1.3
482.12607	0.5
531.22711	0.6
537.21637	1.4
585.23993	0.7
603.24884	0.6
621.25702	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	622.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.5
57.03450	1.9
58.00594	3.2
59.01385	71.4
61.98835	9.0
67.01891	1.1
69.03464	1.2
69.87788	3.9
70.02987	1.0
71.01390	47.2
71.05028	2.0
72.99313	5.5
73.02950	2.6
75.00847	1.0
78.95913	3.0
81.03448	1.0
81.67906	0.8
82.95419	1.9
83.01392	3.0
83.05021	1.0
83.87046	0.8
85.02951	9.6
86.02491	0.8
87.00888	3.9
88.04034	1.6
88.98803	3.0
89.02454	58.8
89.06129	1.9
91.70123	0.9
92.57924	0.9
93.03462	1.4
95.01397	3.6
95.84165	0.8
96.96020	37.2
96.96934	4.6
98.95618	1.8
101.02451	30.2
107.01376	2.7
108.08167	3.1
109.02962	0.9
113.02462	18.7
115.07632	1.0
116.92836	1.9
119.03513	28.0
119.04956	1.6
121.02950	3.7
123.00907	7.1
125.02450	14.7
126.09258	4.9
127.00394	0.9
131.03522	3.0
137.02435	2.6
138.09216	3.0
139.00381	2.8
140.01192	1.5
143.03510	3.9
145.02927	1.8
149.02403	1.1
149.04507	1.6
151.00383	2.7
155.10794	2.3
156.10281	1.6
161.04564	5.5
163.03972	1.2
165.01947	1.4
166.08740	2.0
166.99875	2.2
168.00635	1.8
169.01437	19.1
179.05640	14.4
181.05301	1.1
181.16017	5.2
184.09773	1.8
195.06628	1.2
211.02548	1.8
255.19659	1.9
257.21237	6.9
269.04550	1.9
271.02197	0.9
285.20752	1.4
300.99930	6.2
302.00345	1.2
302.23358	1.2
303.21716	6.6
328.25046	5.6
344.24524	1.4
394.29623	2.0
403.12476	11.9
412.30566	1.1
424.30527	3.2
442.31757	38.7
443.32120	2.9
460.32852	15.3
461.12335	1.3
461.32816	1.2
475.18201	5.2
493.52747	0.9
505.09744	1.2
533.12720	1.8
622.27393	3.2
622.38080	100.0
623.10004	2.1
623.19293	16.1
623.37933	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45496	0.8
61.98832	3.3
69.28444	8.1
78.95882	2.0
85.66051	0.9
145.02953	1.1
147.02988	2.9
195.73048	1.2
255.23148	1.1
471.34814	100.0
472.35315	8.6
509.44556	0.9
569.82318	0.9
619.30768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52206	0.1
68.09348	0.1
71.01367	0.1
75.54074	0.1
79.95750	2.9
84.90533	0.1
93.89040	0.1
96.96021	100.0
97.95977	0.1
107.01424	0.2
123.00901	0.3
125.02471	0.5
139.00406	0.2
139.93243	0.1
151.00406	0.4
168.00644	0.2
169.01498	1.4
182.08961	0.1
219.25438	0.1
523.21857	5.0
524.22375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2565
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
61.41613	0.8
68.99807	0.7
70.11288	1.5
70.11694	1.2
74.50024	0.7
76.35121	0.7
78.95921	1.1
150.61987	0.7
153.63982	0.7
242.13290	0.8
401.14240	2.2
409.50540	0.8
415.15881	3.6
416.16443	11.8
417.17047	0.9
429.17505	1.5
430.17963	3.2
444.15884	1.5
459.18289	100.0
460.18579	9.6
473.19910	16.4
474.20801	6.3
501.18924	1.5
503.17093	3.6
517.18872	1.0
518.19647	48.6
519.20013	5.7
527.21338	1.0
532.21198	9.9
533.21985	97.6
534.22137	9.7
587.22998	6.8
588.23688	1.0
619.25647	79.3
620.25854	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	619.3859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64745	0.8
57.25093	0.8
61.98832	2.8
63.29830	0.7
69.25922	4.9
69.26329	2.7
71.01395	1.5
82.80447	0.7
125.02454	1.1
146.93314	1.0
147.03006	3.0
161.02509	1.2
243.74467	0.8
413.38629	0.9
471.34839	100.0
472.35233	7.8
619.30841	2.1
619.39655	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	619.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00873	0.3
50.27206	0.2
59.01387	2.1
61.98803	0.2
69.38220	2.2
71.01390	2.3
73.02979	0.5
78.95918	1.2
79.01883	0.3
79.95753	3.1
83.01391	0.4
85.02959	0.8
87.00883	0.3
89.02467	1.0
94.66180	0.3
95.01401	0.5
96.96022	100.0
97.95975	0.3
98.95606	2.0
98.96469	0.4
99.00868	0.3
101.02468	2.1
107.01389	0.9
108.23173	0.3
109.02960	1.0
111.00867	0.4
113.02467	1.0
116.92843	0.5
119.03542	0.5
119.05080	0.3
120.29737	0.2
123.00900	2.8
125.02474	3.2
135.04517	0.3
139.00378	0.9
139.04027	0.3
141.01910	0.3
151.00385	1.7
151.04047	0.3
153.01976	2.0
153.20016	0.3
161.04587	0.5
165.05620	0.3
167.61865	0.3
169.01448	3.2
175.04083	0.3
179.07164	0.6
191.03535	0.4
195.03014	0.5
200.93567	0.2
214.97162	0.3
228.43030	0.2
300.99860	0.9
303.21829	0.3
305.16266	0.3
307.08170	0.3
457.17206	0.8
521.20306	5.4
522.20575	0.5
619.22412	15.2
620.22321	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14716	0.2
59.01399	0.2
65.62208	0.1
66.97181	0.2
73.86899	0.2
76.45421	0.2
76.69395	0.1
77.68045	0.2
79.95749	2.8
89.04061	0.2
96.96022	100.0
97.95991	0.2
98.20644	0.6
125.02429	0.9
151.00359	0.2
153.33432	0.2
168.00665	0.4
169.01517	1.2
211.02518	2.2
220.86829	0.2
252.54338	0.2
271.04620	3.0
286.93445	0.2
331.06702	1.0
482.90717	0.2
521.20331	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	619.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	2.6
59.35852	1.0
68.99804	0.8
69.03438	2.0
71.01385	3.7
71.02039	1.9
72.91614	0.8
72.99310	1.1
74.86368	0.8
77.16814	1.0
78.95869	1.0
79.01899	1.5
79.95706	1.1
81.03455	2.1
83.01393	1.2
85.90010	1.0
95.01368	2.2
96.96027	14.4
96.96963	1.2
97.02935	2.9
101.02416	2.6
107.01398	5.7
109.02976	20.7
111.00881	2.2
111.56717	0.8
113.02450	1.9
121.02915	0.8
123.00884	9.3
123.04495	1.1
124.01653	2.7
125.02465	68.2
125.66560	0.9
126.02814	5.6
127.02855	1.4
132.12265	1.0
137.02417	2.5
139.00389	2.7
140.01157	1.3
143.03418	1.0
149.02423	1.0
151.00368	3.8
151.04008	1.1
152.01102	3.5
153.01961	33.9
161.02435	1.5
165.01974	1.8
166.99951	1.1
168.00700	4.5
169.01447	80.4
170.01790	7.3
171.01929	3.3
175.04013	1.7
179.03539	1.8
183.02969	0.9
191.03542	2.1
193.01369	2.9
195.02992	8.8
195.06676	1.0
195.16631	0.8
196.33023	0.8
205.05078	2.2
211.02467	6.4
213.60666	1.0
219.03052	2.3
225.04060	1.1
255.05141	5.4
279.04837	1.1
297.06006	3.5
300.99844	3.5
313.05518	4.1
449.07028	7.2
455.88086	0.9
465.06815	1.7
467.07626	5.5
483.07785	1.0
560.88977	1.0
601.12024	1.3
619.09210	100.0
620.09308	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	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43875	0.3
70.78768	0.8
117.03482	28.8
118.03770	0.6
119.05036	7.1
121.02956	1.4
123.04549	0.4
145.02968	100.0
146.03288	3.4
162.03253	0.6
163.04031	1.6
439.31830	0.4
453.33731	1.3
465.12762	0.4
497.33121	1.7
509.19711	0.4
617.38507	93.0
618.28723	0.7
618.38831	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	617.385
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.99926	0.2
54.78166	0.2
67.78794	0.2
69.28011	2.3
74.30415	0.2
94.97803	0.2
98.19893	0.5
117.03480	30.1
118.03774	0.6
119.05042	7.4
121.02978	1.8
122.36931	0.3
123.04539	0.4
133.02972	0.4
144.22375	0.2
145.02969	100.0
145.99031	0.2
146.03299	2.3
162.03244	0.7
163.04010	2.0
164.21396	0.2
178.02325	0.3
281.67371	0.3
318.03305	0.2
453.33868	1.4
497.32629	1.4
576.73303	0.3
617.38507	97.4
618.38861	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	617.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
59.65023	0.3
74.87432	0.4
87.45648	0.3
117.03479	24.3
119.05032	6.8
121.02989	1.5
133.03003	0.5
141.12241	0.4
145.02968	88.9
146.03314	2.9
162.03215	0.6
163.04037	2.1
167.16901	0.3
229.54343	0.4
347.86481	0.4
453.33820	1.2
462.07196	0.3
464.40552	0.3
497.32596	1.3
546.13739	0.5
573.39648	0.7
617.38501	100.0
618.38855	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	617.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
61.46378	0.2
65.79733	0.3
69.35615	1.9
79.05045	0.3
102.22469	0.3
117.03478	22.4
118.03779	0.6
119.05036	5.4
121.02965	0.9
123.04509	0.5
133.02983	0.4
133.25818	0.3
145.02966	71.4
146.03300	2.0
162.03209	0.5
163.04034	0.9
208.87251	0.3
283.72504	0.3
439.32343	0.3
453.33759	1.4
497.32651	0.7
617.38507	100.0
618.38873	13.6
618.46960	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
70.30072	0.7
97.22925	0.2
99.17360	0.2
108.06104	0.2
117.03482	26.6
118.03771	0.5
119.05037	7.1
121.02966	1.8
123.04533	0.6
133.02953	0.4
145.02971	92.9
146.03319	2.4
162.03238	0.6
163.04062	2.1
182.35358	0.2
186.33502	0.3
445.38428	0.2
453.34006	1.2
453.39377	0.3
497.32785	1.2
573.39691	0.9
617.38513	100.0
618.38812	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	617.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52679	6.0
59.01394	43.1
61.98838	66.9
65.56768	6.0
69.49143	18.2
69.49564	27.8
71.01376	33.7
73.02975	12.7
77.58744	5.9
83.01418	7.8
85.02966	18.2
89.02451	12.0
95.05051	6.9
96.96015	54.3
101.02468	31.0
113.02422	14.0
124.64718	5.6
125.02443	14.5
125.09792	9.6
161.04570	23.0
169.01399	18.8
171.10260	37.2
183.13969	7.4
190.63765	7.2
209.11784	18.1
211.13390	29.7
213.15146	9.2
227.12820	9.3
229.14532	19.9
285.04153	10.9
307.17746	50.2
327.21802	83.4
441.13635	7.3
497.90045	6.5
552.78674	7.3
617.31647	100.0
618.32880	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	617.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.9
69.78416	4.6
75.02321	0.8
81.03465	0.9
84.01439	0.8
89.26998	0.8
91.11269	0.8
96.95998	0.8
99.17010	0.8
108.02188	64.5
109.02969	11.1
121.55587	0.9
125.02459	24.9
125.73878	1.0
133.02931	1.6
135.83925	0.9
151.04024	1.5
152.01164	53.4
153.01955	28.1
163.03995	1.5
169.01442	58.6
170.01686	1.0
187.80148	0.9
236.28525	0.8
285.06177	100.0
286.06506	3.6
300.99936	1.2
331.06747	22.2
332.06592	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17000	0.2
52.52262	0.2
59.01393	2.0
61.98837	5.3
65.00323	0.7
68.99553	0.3
71.01398	1.1
71.57307	0.3
75.00848	0.3
78.95921	0.4
82.95450	0.3
83.01401	0.8
83.05039	0.4
88.98803	0.8
89.02478	0.4
93.03421	0.4
96.96019	3.1
96.96964	0.6
98.95601	0.4
101.02444	0.5
105.01853	0.3
107.01391	2.3
109.02953	0.2
109.06613	0.2
111.00875	0.4
113.02433	0.3
116.92835	0.4
119.05052	0.5
121.02916	0.3
123.00889	0.5
125.02459	1.7
125.09750	0.3
133.02963	7.3
135.04543	0.4
137.02469	0.4
145.02974	0.7
148.34430	0.2
149.02438	1.4
151.00386	4.5
161.04567	0.3
163.04007	0.3
166.02701	1.6
169.01437	2.1
171.04555	0.3
171.10277	3.1
172.28258	0.2
175.03995	2.7
179.10724	0.3
181.05104	3.1
185.06158	0.3
195.06674	0.6
197.06102	0.4
199.03998	1.7
201.01974	0.5
201.11238	0.3
204.04242	0.3
204.39897	0.3
209.11902	1.8
215.03583	0.3
217.05037	1.2
219.06744	0.4
223.04111	0.3
227.12897	0.6
229.05074	0.3
235.06180	0.3
239.05658	0.9
241.05156	0.8
243.03122	0.6
249.07716	0.4
251.05637	0.4
253.09361	0.3
256.03894	0.2
257.04700	0.4
285.04071	100.0
286.04407	4.9
301.00101	0.3
409.47568	0.3
419.26431	0.4
524.17090	0.3
554.19269	0.5
617.07898	0.6
617.19434	1.8
617.31061	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.3699
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
51.81560	0.8
57.36816	0.8
117.03484	31.1
119.05026	12.8
121.03014	1.5
126.95679	0.7
145.02969	100.0
146.03265	2.3
163.04012	4.6
167.02357	0.8
571.37976	6.7
588.07813	0.9
615.36938	91.5
616.37341	9.6
634.32446	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.0
60.13144	2.3
65.28570	2.2
70.39137	5.7
71.01390	8.1
89.02466	6.2
95.01385	3.0
101.02488	4.4
102.36550	2.2
107.01353	4.1
108.02205	6.7
109.02953	3.1
113.02433	3.6
123.00903	11.7
125.02492	15.6
150.69516	2.4
151.00354	13.3
152.01120	3.8
153.01955	4.9
169.01469	41.0
179.32512	2.2
211.02483	9.9
220.79851	2.3
241.03381	2.6
271.04700	8.5
285.06155	8.9
300.99881	3.0
331.06720	100.0
332.07080	6.3
391.47012	2.6
416.39008	2.3
428.79285	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	615.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.22475	1.0
59.01381	5.9
61.98843	8.0
70.17857	1.0
70.97697	1.8
70.98060	2.3
71.01383	2.0
89.02442	1.4
95.03805	2.1
96.96020	5.0
96.96996	1.5
105.05866	2.4
106.06583	1.5
107.01444	1.5
107.03764	4.7
113.02440	2.0
118.13407	1.1
120.08207	33.8
121.05372	1.7
122.06141	53.5
123.00913	2.5
124.07697	4.9
125.02467	5.0
134.06047	1.3
135.08174	4.3
136.07704	2.4
137.02493	1.1
144.04544	7.9
145.05373	1.6
151.00368	1.9
153.09161	2.1
160.04019	2.0
161.04761	2.6
162.05624	1.4
164.07140	1.5
169.01440	3.6
171.10277	3.7
173.04930	1.5
174.05624	8.2
187.11279	4.1
188.03601	2.1
203.05872	6.7
203.14377	3.8
204.06737	2.1
207.00357	1.0
207.10179	3.2
213.10706	1.3
217.13551	1.2
221.10986	1.1
222.07903	1.9
223.08809	4.3
223.12457	2.0
225.11401	1.5
225.13899	3.0
229.12349	4.0
236.09535	5.7
237.10283	5.0
239.11879	1.8
241.13455	1.9
241.41324	1.1
247.13367	4.8
249.10275	3.5
249.13933	3.8
250.07486	3.3
250.11206	2.3
251.11897	35.7
252.12489	3.3
253.09630	1.7
262.07434	2.0
263.08267	7.2
263.11884	5.0
264.09070	6.7
264.12476	1.8
265.09811	3.6
265.13348	5.5
266.10635	3.0
268.08447	2.3
275.08331	1.7
276.08929	5.5
277.09842	28.3
278.10568	11.0
279.11389	4.5
281.12973	1.2
282.09985	2.3
285.04135	1.6
285.12579	1.4
287.13885	2.5
291.11447	34.4
292.12183	37.6
293.12958	28.3
294.13409	3.0
295.10941	2.5
296.11636	2.5
297.12497	1.5
299.99042	1.7
300.99933	2.2
319.10855	3.2
324.11261	9.1
325.11902	2.2
327.13528	3.9
335.10443	14.4
336.11127	10.8
337.11954	5.6
340.48651	1.2
358.15466	1.5
360.17099	2.6
372.16998	2.4
374.18753	13.5
375.19345	2.4
376.20303	1.8
388.16608	1.7
400.16568	1.5
402.18344	1.9
414.18213	3.2
415.19156	1.3
416.19870	29.2
417.20566	5.4
420.19254	9.6
442.17972	1.7
443.18652	2.1
448.22369	3.6
460.18829	57.7
461.19556	29.3
462.19888	2.6
492.21454	100.0
493.21762	13.5
495.27606	2.4
497.25497	7.8
498.25714	1.8
525.20764	1.3
539.26721	35.3
540.26978	3.1
565.24475	1.5
583.25702	70.1
584.26184	7.4
614.39728	2.7
615.26257	16.8
616.28864	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	8.3
61.98837	29.3
69.98242	11.0
71.01376	8.1
73.02973	2.5
76.04767	2.2
77.28831	2.4
78.95892	4.0
84.04587	3.3
89.02458	4.2
90.50543	2.2
94.06681	3.1
95.03781	3.4
96.08186	2.7
96.96014	18.0
96.96966	3.8
99.76343	2.5
101.02407	2.8
107.01381	3.9
107.03814	3.6
109.06614	2.6
113.02451	2.9
120.08212	36.7
122.06136	92.2
123.00912	7.2
124.07703	9.9
125.02452	11.1
136.07753	3.3
144.04538	3.5
151.00345	5.9
161.04700	4.5
164.07251	3.3
169.01437	16.6
170.65672	2.8
171.10335	13.8
173.04805	3.7
174.05605	10.1
179.10794	6.3
185.11853	6.9
187.18964	2.5
203.05876	3.9
207.10208	5.5
211.02559	4.3
211.13336	5.8
217.07541	2.3
223.08778	6.7
225.11430	2.5
225.13864	3.6
236.09508	12.6
237.10374	9.6
239.08398	3.3
241.13637	3.8
249.10425	4.6
249.13928	9.3
250.07500	5.8
250.11098	3.7
251.11911	100.0
252.12605	10.3
253.09593	4.4
262.07535	3.0
263.08420	5.5
263.11862	7.4
264.09052	8.9
265.10031	2.7
265.13412	7.0
266.10593	6.7
268.08521	9.8
269.09250	3.7
276.08997	5.6
277.09790	31.8
278.10431	15.7
279.11292	6.2
280.12219	2.8
282.10229	6.4
285.04218	3.5
285.12439	7.5
291.11441	34.6
292.12137	39.6
293.12976	34.5
295.10825	5.4
296.11621	6.1
297.12381	4.1
300.99817	3.8
306.10132	3.1
310.09460	3.2
319.10782	4.6
324.11261	18.6
325.11734	3.7
325.15475	3.4
335.10324	15.4
336.11154	9.8
337.11984	8.6
346.15646	4.2
372.16949	3.1
374.18747	41.6
375.19333	10.3
376.20389	11.7
409.26218	2.6
414.17975	3.9
415.19366	5.0
416.19818	60.6
417.20404	6.8
420.19339	50.3
421.19666	4.7
448.22272	9.0
460.18799	59.3
461.19592	31.6
471.27524	3.6
480.21237	7.0
492.21423	89.6
493.22089	17.2
495.27829	12.2
497.25766	32.4
498.26025	4.1
539.26685	37.8
540.26801	4.5
541.24683	3.2
571.29352	5.9
577.29651	4.6
583.25690	86.9
584.26080	8.7
615.26678	57.7
615.34949	12.9
616.28320	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	615.283
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41335	0.6
59.01385	1.3
61.98837	2.1
70.70929	1.7
94.06656	0.9
95.03773	1.4
96.08264	0.8
96.96032	2.0
105.05869	1.3
105.84207	0.7
106.06622	0.8
107.03803	2.6
120.08204	31.6
121.05377	1.1
121.08546	1.1
122.06133	49.6
123.00895	0.7
124.07676	4.2
134.06143	1.6
136.07712	1.7
137.04793	0.9
138.00989	0.6
138.05563	0.7
144.04567	6.6
146.06116	0.7
152.07129	1.1
160.04010	1.2
162.05553	0.9
164.07169	1.8
169.01442	0.7
171.10283	2.2
173.04828	1.1
174.05602	6.4
185.11855	0.9
188.03539	1.5
200.07095	1.8
203.05911	5.1
204.06490	1.5
207.10181	0.7
209.10873	1.2
211.13437	0.9
213.10431	0.9
217.13437	1.0
222.07793	1.3
223.08748	3.8
223.12373	1.3
225.14017	2.1
235.12196	0.8
236.09502	6.0
237.10336	5.0
238.11058	0.7
239.08243	0.8
239.11958	1.3
241.13463	2.2
243.15025	0.8
249.10295	3.1
249.14023	4.2
250.07584	2.0
250.11072	2.7
251.11909	31.5
252.12532	4.2
253.09766	1.1
262.07538	2.1
262.11325	0.9
263.08218	4.8
263.11865	5.9
264.09009	4.6
264.12604	1.6
265.09946	2.5
265.13464	5.8
266.10568	3.1
266.14087	0.8
267.11386	1.3
268.08517	1.9
269.09201	0.9
275.08490	1.3
275.11963	1.2
276.09106	5.5
277.09848	26.5
278.10568	10.4
279.11438	3.6
280.12378	0.8
281.09372	0.8
282.10056	2.3
284.11743	1.0
285.12509	3.0
287.14020	2.0
290.10519	1.0
291.11414	30.2
292.08832	1.8
292.12177	35.7
293.12949	25.7
294.13300	1.6
295.10770	2.6
296.11615	3.3
297.12228	1.5
306.10236	1.6
310.09702	1.5
311.10367	0.8
311.13901	0.9
313.12283	1.0
318.10165	1.5
319.10794	3.0
324.11115	7.8
325.11707	1.8
326.12628	1.1
327.13547	4.2
327.21863	0.8
335.10394	13.7
336.11084	10.9
337.11942	7.6
338.12598	0.8
344.13986	0.8
356.13855	1.3
358.15909	1.3
360.17441	0.9
372.17117	1.8
373.18591	0.7
374.18753	9.6
375.19473	3.6
376.20419	2.5
386.15067	1.8
388.16440	1.4
388.20715	0.8
400.16238	1.5
401.17453	0.8
402.18082	2.0
414.18237	2.7
415.19049	2.6
416.19818	25.2
417.20309	4.0
420.19409	10.5
421.19855	0.9
442.17697	1.5
443.18475	2.3
447.17551	1.0
448.22449	2.6
460.18796	46.5
461.19519	23.6
462.19940	2.0
480.21463	1.1
492.21423	100.0
493.21902	10.8
495.27530	2.2
497.25769	4.8
525.21472	0.9
539.26630	30.0
540.26825	3.2
542.25598	0.8
565.24738	0.9
583.25659	61.9
584.25977	8.8
615.28271	33.0
616.28979	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	615.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82422	0.9
59.01384	2.1
61.98843	5.7
63.10678	0.8
64.87456	0.9
64.97691	1.1
67.01869	0.8
71.01385	2.3
78.34098	0.8
78.95908	3.0
79.95739	1.5
82.95423	2.0
85.02895	0.7
85.44836	0.8
87.00863	1.0
88.98811	1.6
93.03464	1.8
95.01398	1.2
96.96024	46.7
96.96982	3.6
98.19897	2.5
101.02406	1.1
102.59963	1.0
106.90518	0.9
107.01406	1.1
109.02945	2.6
111.94587	1.2
116.92860	1.4
119.05047	1.3
121.02948	2.6
122.03751	3.9
123.00871	3.7
124.01675	1.1
125.02437	9.9
135.04570	1.5
136.01646	1.1
136.98836	1.0
137.02455	18.3
139.00334	1.7
140.01208	1.8
141.58665	0.9
145.02956	1.4
149.02425	3.1
150.03246	19.1
151.00337	1.3
151.03998	1.2
155.10789	2.0
163.04076	1.4
164.01160	1.3
165.01944	96.8
165.05577	20.6
166.02318	1.6
168.00616	1.6
168.04187	1.0
169.01431	11.3
175.03870	1.0
176.01163	1.1
177.02061	1.0
179.03525	14.6
180.04298	60.8
181.04756	2.3
191.03421	1.3
193.45905	0.9
194.05804	2.9
195.02919	3.9
195.06636	100.0
196.06992	2.6
207.06538	1.0
208.07431	1.2
210.05327	13.7
211.02502	1.3
223.06238	1.3
225.07700	86.2
226.08063	3.2
229.01207	1.5
247.02477	3.8
270.08765	1.2
300.99777	3.2
311.08862	1.1
313.05695	2.7
314.08075	1.3
329.10315	2.9
341.10236	5.0
344.12527	3.3
356.12616	1.4
359.14999	13.9
371.15024	8.9
389.16132	4.9
537.21143	1.1
567.22137	1.7
571.04230	1.3
615.04626	1.2
615.21118	10.8
615.31848	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80393	0.5
57.03423	0.5
59.01388	1.9
60.99317	10.7
68.70712	0.5
70.83801	1.3
71.01389	1.7
79.01893	1.0
83.01412	0.5
85.02976	1.0
88.98819	60.5
89.02457	0.5
89.99183	0.6
95.01369	0.9
96.96021	0.9
101.02462	1.4
107.01402	2.1
111.00895	1.4
113.02441	0.8
123.00900	9.1
124.01653	0.5
125.02464	9.9
128.59615	0.4
139.00421	3.3
140.01163	1.2
141.01872	0.9
151.00374	6.8
153.01901	0.5
163.04018	0.8
165.01953	0.7
168.00677	1.7
169.01451	14.8
181.05122	1.1
195.06616	1.5
211.02472	0.6
313.05557	1.2
323.54730	0.5
523.21893	100.0
524.22266	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	613.267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04180	0.9
54.07056	0.8
57.51675	0.9
59.01389	11.2
61.17511	0.8
61.98827	3.6
65.23000	0.8
71.56504	1.7
84.18990	0.8
85.97573	0.8
94.06622	1.3
94.35917	0.8
95.03767	0.8
96.35702	0.8
96.89648	0.8
96.96023	2.0
106.06620	0.9
110.02442	0.8
120.04576	1.4
120.08207	2.2
121.05348	1.4
122.06145	14.1
124.07699	2.9
125.02459	1.1
130.06638	1.4
134.06160	6.9
135.67834	0.8
136.05330	1.0
144.04536	2.9
151.07639	3.0
160.04079	1.8
160.06458	6.4
161.04800	2.7
162.05461	0.9
171.10307	1.4
173.04868	0.9
174.05641	8.3
180.97676	1.0
188.03511	1.0
193.03847	1.5
203.05888	3.6
211.08763	1.0
213.10371	34.6
214.10634	1.3
217.13435	3.5
223.08797	1.9
223.13593	0.8
225.10352	2.2
226.11111	3.5
239.09703	1.5
239.11923	20.2
240.12230	1.0
241.11180	1.2
241.13499	18.5
242.13861	1.2
249.10370	1.2
251.11824	2.8
267.11411	1.9
285.12473	100.0
286.12799	5.6
291.11481	0.9
293.12988	8.3
295.10699	1.8
297.12430	1.5
299.99036	2.4
319.10822	1.1
327.13425	5.6
328.10941	4.0
328.14371	0.9
329.15060	1.0
330.15985	2.8
340.10065	1.1
341.11545	1.3
342.12158	1.0
342.16006	1.9
343.13321	7.3
344.13998	1.0
344.17719	2.0
345.18448	1.9
354.12357	1.1
354.16150	3.4
355.13290	1.6
356.13986	9.7
357.14624	2.3
368.17761	2.1
369.14532	3.3
370.15625	11.0
371.16391	5.1
372.17230	5.9
382.11713	1.3
383.12405	1.1
384.13464	3.1
385.13715	1.1
397.14023	1.2
398.15134	12.5
399.15430	1.6
403.15353	6.0
411.15372	1.0
412.16727	6.5
413.17419	7.7
416.16107	1.1
428.16104	1.0
456.15625	1.5
457.16589	1.3
469.26132	4.3
470.27170	0.9
493.26099	4.2
495.24069	22.3
496.24182	2.8
537.25110	82.1
538.25354	10.1
540.24042	6.4
541.24438	1.3
563.22668	2.4
569.27832	1.3
581.24066	57.9
582.24207	5.3
613.26746	17.1
613.39935	4.1
614.26807	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	613.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54436	0.8
59.01380	5.8
61.98837	4.2
69.03472	2.0
71.01398	4.9
71.57008	1.6
72.99294	2.0
73.02943	1.8
76.75914	0.8
79.01866	1.4
80.91686	12.1
81.03451	1.5
83.01382	2.2
85.02946	2.8
87.00880	1.4
88.98820	2.2
93.03415	1.1
95.01400	3.1
96.96027	7.1
97.02959	1.4
99.00858	1.0
101.02429	3.6
101.69013	0.8
107.01398	11.5
109.02950	1.1
111.00887	4.4
113.02438	2.2
116.92867	1.6
117.03511	1.4
119.05035	2.2
121.02972	1.6
123.00905	14.5
124.01678	2.6
125.02461	70.3
125.06130	0.9
126.02773	1.7
127.00324	1.2
135.04514	0.9
136.98775	1.9
137.02422	2.5
139.00406	6.3
139.04025	1.1
140.01169	5.3
141.01970	1.6
145.02950	8.4
147.04565	4.7
149.02463	1.0
150.03160	0.9
151.00369	9.9
151.04005	1.5
153.01935	1.8
161.02393	1.6
161.06093	2.1
163.04010	3.3
164.49089	0.9
165.01920	3.7
165.05475	0.9
166.99852	3.3
167.03529	1.3
168.00681	11.8
169.01436	100.0
170.01772	2.0
177.01984	1.0
179.03513	2.2
179.10942	0.8
180.04349	1.9
191.03496	1.9
193.01390	4.4
195.06586	2.1
207.02924	1.8
211.00447	1.7
211.02481	28.2
212.02638	1.0
223.02425	1.3
223.06133	1.0
225.07747	1.1
241.03354	1.0
242.05524	1.0
271.04614	15.2
271.09607	1.6
272.10095	1.8
285.03909	1.4
295.04626	7.4
300.99911	1.5
313.02286	1.3
313.05707	25.0
401.08801	1.0
443.09866	1.6
445.04166	1.0
461.11053	8.8
461.17313	1.4
465.06744	86.6
466.07071	5.7
531.22498	7.7
553.19476	1.0
613.12000	72.7
613.26624	3.9
614.12311	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	613.1203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36516	0.2
55.55088	0.2
59.01374	0.6
61.98836	0.9
67.01907	0.4
69.03458	0.9
69.26492	1.8
71.01385	0.4
79.01928	0.6
81.02931	0.2
81.03463	0.7
83.01387	0.2
95.01391	0.4
96.96021	3.3
97.02947	1.3
101.02460	0.2
107.01402	9.9
108.01645	0.3
113.02418	0.2
114.98689	0.2
122.03758	0.2
123.00905	1.0
124.01665	0.5
125.02460	51.4
126.02825	1.0
135.04543	0.2
137.02472	0.7
139.00362	0.5
141.01987	0.2
145.02979	0.4
147.04570	0.8
150.03227	0.7
151.00372	0.8
161.02556	0.3
165.01949	1.0
165.05649	0.5
168.00737	0.3
169.01442	100.0
170.01804	2.3
179.03537	0.3
180.04240	0.3
181.04948	0.3
193.01570	0.3
195.06566	1.0
211.02498	0.4
225.07715	0.4
239.88025	0.2
264.28363	0.2
269.04608	3.5
295.04657	0.3
315.23502	0.2
349.06473	0.2
443.09866	2.7
444.10754	0.2
461.10825	1.2
465.07016	0.2
537.24518	0.2
565.20917	0.7
577.13599	1.1
613.12177	1.9
613.28601	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.2
59.01372	0.3
59.20836	0.1
65.00330	0.4
67.01561	0.2
67.01895	3.0
68.99819	0.4
69.03460	1.5
71.01395	3.1
72.99310	0.4
73.02971	0.2
79.01898	2.8
81.03465	0.4
83.01387	0.4
85.02957	0.6
87.00887	0.4
87.02409	0.2
89.03988	0.2
95.01397	23.5
96.01734	0.3
96.96024	0.3
97.02956	1.7
99.00868	0.3
101.02407	0.2
101.03980	0.5
103.01911	0.2
105.03454	0.3
107.01400	0.6
110.00125	0.2
111.00904	1.0
113.02470	0.9
115.01898	0.6
117.03484	2.6
119.01404	0.4
119.05037	1.0
121.02953	0.3
123.00899	51.3
124.01225	0.7
124.01696	0.4
125.02458	36.6
126.02826	0.6
128.02707	0.2
129.03490	1.8
131.01366	0.3
132.02184	1.3
133.02966	1.7
135.00845	0.2
136.98781	0.4
137.02510	0.3
139.00388	4.1
141.01956	1.9
141.03479	0.5
143.01413	2.1
143.03529	0.2
143.05022	0.2
144.02197	1.1
145.02960	5.0
146.00110	0.3
146.99791	0.1
147.00850	0.8
147.04532	1.8
148.01685	1.2
149.02466	1.5
151.00391	0.4
155.01369	0.4
156.02167	2.0
157.02971	3.9
159.00876	0.8
159.04553	0.5
160.01663	1.8
161.02448	3.9
163.00377	0.4
163.04086	0.8
164.01102	0.2
165.01903	0.4
166.99873	56.6
168.00397	1.7
169.01440	43.1
170.01762	0.9
171.00893	7.7
171.04543	0.4
172.01672	3.8
173.02458	4.4
174.03175	0.3
175.00426	0.2
175.04015	0.8
176.01161	1.4
177.00493	0.3
177.01941	3.3
179.03365	0.2
182.03737	0.2
183.00862	0.2
183.04536	0.5
184.01627	0.4
185.02443	2.4
186.03104	0.2
187.00424	0.7
187.03999	0.6
188.01184	1.3
189.01950	2.5
190.02599	0.1
190.99854	0.6
192.00639	0.4
195.04622	0.2
197.02457	0.6
198.03224	0.4
199.00383	6.3
199.04002	0.7
200.01157	7.3
201.01947	21.9
202.02260	0.7
202.99866	0.4
203.03525	0.7
204.00642	0.4
205.01430	5.5
209.02480	0.2
211.00334	0.3
211.04063	0.7
212.01204	0.2
213.01971	1.2
213.05504	0.3
214.02748	0.9
214.99837	1.0
215.03395	0.5
216.00670	1.2
217.01433	0.7
223.04004	0.3
225.01897	0.5
225.05646	0.2
225.99197	0.2
226.02670	0.3
226.10851	0.3
226.99869	8.9
227.03242	1.0
227.09282	0.2
227.12895	1.3
228.00615	2.0
228.04178	0.2
229.01413	9.4
230.02205	5.3
230.99286	0.5
231.02991	5.0
232.00133	0.4
232.03368	0.2
233.00974	0.7
239.03479	0.5
240.00777	0.2
240.04221	0.2
241.01393	0.6
241.05029	0.4
242.02217	0.6
242.99303	0.9
243.02953	1.5
244.00101	1.2
244.02454	0.2
244.03600	0.2
245.00919	3.6
246.01459	0.3
247.02492	16.4
248.02884	0.7
251.03398	0.6
252.04222	0.2
253.01431	1.0
253.04976	0.1
254.02284	0.8
254.99393	2.3
255.02954	1.2
256.00159	1.2
256.03714	0.4
257.00937	8.9
258.01584	0.9
259.02524	0.3
266.02200	0.5
267.02951	1.8
268.00089	0.4
268.03671	0.7
269.01135	1.0
269.04291	0.9
270.01755	0.4
270.98874	0.4
271.02469	0.8
271.99652	4.9
272.02490	0.2
273.00412	6.3
274.01166	2.7
275.01990	3.8
279.03003	0.5
280.03696	0.2
281.00912	0.5
281.04086	0.2
282.01627	1.0
282.99399	0.2
283.02493	2.6
283.05646	0.2
283.99933	0.3
284.03232	0.9
285.00421	1.6
285.03870	0.4
294.01532	0.2
295.02460	0.5
296.03217	0.3
297.00400	0.4
297.04034	1.0
298.01129	0.4
298.98367	8.9
299.01779	0.6
299.99130	6.5
300.99899	4.3
301.03366	0.3
302.00211	0.2
307.02493	0.2
309.04004	0.2
310.01044	0.2
311.01944	0.5
312.02628	0.2
313.00027	0.3
313.03214	0.2
315.01550	0.3
316.02155	0.4
317.02939	0.3
323.02182	0.3
327.05048	0.3
328.02191	0.9
329.03073	0.4
330.03812	0.6
340.99512	0.2
341.02969	0.8
353.03250	0.2
361.35941	0.1
399.03842	0.7
401.05154	2.6
415.03088	0.5
417.04605	0.5
443.02573	11.5
444.03070	1.3
445.04126	100.0
446.04443	6.4
461.03522	0.6
569.05682	2.0
613.04718	4.1
613.15747	0.2
613.18567	0.2
614.04962	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3181
Annotation	Chasmaconitine
Peak:m/z	Relative Intensity
61.98819	2.8
71.57693	1.8
85.04218	0.7
92.46288	0.8
116.92860	1.9
121.02967	100.0
122.03330	2.6
125.02579	0.8
142.01801	0.9
142.25937	0.8
155.46912	1.0
180.05812	1.5
181.06625	7.7
225.05608	8.5
253.76613	0.9
313.07199	16.2
357.06180	10.5
531.31982	2.1
612.31848	53.7
613.31714	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	613.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25012	2.2
59.01382	4.4
60.56194	2.1
61.74297	1.7
78.95913	3.1
79.95749	2.7
96.96022	100.0
119.05009	4.4
141.04768	2.0
144.83162	2.0
147.04546	3.2
149.06065	4.0
159.04494	2.9
169.01375	2.2
175.03989	14.0
176.04790	4.8
177.05528	13.0
191.03494	7.6
203.03462	20.2
206.71278	2.1
220.03757	5.9
221.04533	7.5
235.02545	9.8
238.10638	2.2
247.02484	7.4
247.85770	2.0
265.03592	14.9
265.12381	1.7
269.27463	1.9
273.00330	2.6
277.03500	4.8
298.98364	4.3
300.99960	7.0
307.04626	6.4
367.06549	5.8
397.07791	5.6
427.08896	34.0
441.06927	11.1
445.03922	2.1
457.68024	2.2
471.07858	22.3
479.05508	2.5
515.06787	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	611.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77061	1.0
55.98207	1.2
59.01384	3.5
60.99053	1.2
60.99318	14.4
66.53252	1.2
71.01388	2.2
88.69775	1.1
88.98820	83.3
95.01326	1.1
96.96062	1.3
98.20653	3.7
101.02428	1.0
101.25895	1.1
107.01414	2.6
111.00877	2.0
113.02385	1.1
114.76195	1.0
123.00891	4.9
124.01675	2.3
125.02461	19.6
127.00406	1.1
136.98871	1.6
137.09731	1.3
139.00421	2.9
140.01132	1.8
144.85477	1.0
146.83434	1.1
151.00392	2.2
153.01802	1.1
165.01863	1.3
167.03409	1.4
168.00681	11.1
169.01439	32.0
211.02501	54.5
212.02881	1.8
229.64702	1.7
259.06134	2.7
269.04556	2.2
271.04614	100.0
272.04797	4.1
285.04001	3.2
303.51169	1.1
331.06741	33.3
521.20349	71.4
522.20532	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	611.274
Annotation	Unknow
Peak:m/z	Relative Intensity
78.95914	61.7
79.95739	3.3
96.96020	100.0
96.96974	88.0
111.19708	1.0
150.06703	1.0
172.16669	1.0
184.59039	1.1
222.94244	1.0
277.21756	3.6
351.05917	1.4
351.13412	1.1
378.20132	1.2
554.39563	1.1
560.63489	1.0
639.16565	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	5.1
61.98843	14.6
69.29038	3.2
69.29454	4.6
71.01381	3.2
72.99307	1.3
73.02955	1.0
78.95905	2.2
79.01896	1.3
83.01390	1.4
85.02954	2.0
88.98817	4.3
89.02434	1.5
93.03464	1.2
95.01414	1.8
96.96024	31.0
96.96975	3.5
97.02942	1.1
99.00850	1.4
101.02444	2.1
107.01409	5.6
111.00869	4.1
113.02460	2.0
117.03461	1.2
119.05048	1.5
121.02923	1.6
123.00893	12.5
123.04516	0.9
124.01649	1.4
125.02460	29.7
126.02775	1.5
127.00356	1.6
133.02934	2.9
135.04503	1.8
136.98871	1.6
137.02440	2.6
139.00357	5.5
140.01172	5.5
141.01920	2.1
145.02968	2.5
151.00395	11.5
151.03987	1.2
153.01981	1.8
160.04051	1.6
161.02440	3.2
161.09744	1.1
162.02792	1.2
163.04021	2.0
165.01941	9.1
166.70877	1.0
168.00626	5.0
169.01451	29.1
170.01801	2.2
179.03520	2.7
179.10800	1.4
180.04285	7.0
181.05049	0.9
195.06641	18.1
201.05392	0.8
211.02490	2.2
221.04597	1.6
222.04895	0.9
243.08786	1.6
279.12387	3.6
281.06775	1.2
282.07327	1.6
285.04129	16.6
286.04462	1.7
297.13467	3.8
300.99884	2.7
302.00229	0.9
303.05219	1.6
318.04440	0.8
328.45697	1.0
341.08905	2.4
342.09186	1.1
429.07870	1.0
459.18759	100.0
460.19156	6.2
521.20477	2.4
548.22272	3.2
611.19812	78.9
612.20190	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	611.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	95.9
63.80316	14.2
71.57584	20.9
75.88641	13.4
78.95332	13.3
78.95915	35.6
96.96030	100.0
96.96979	54.9
116.92822	16.4
117.01894	12.5
118.68456	12.5
170.02086	14.5
187.70169	14.2
268.75879	14.2
441.70956	13.8
529.30585	38.8
554.02887	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	611.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85861	1.9
52.85344	1.9
70.59700	6.1
81.03461	2.6
88.56879	1.9
93.03465	4.1
96.96014	4.5
107.01394	6.4
108.02175	16.4
109.03018	2.3
125.02456	53.5
137.25954	2.0
152.01187	11.0
153.01973	4.4
169.01439	82.1
204.33220	2.0
285.06110	17.2
325.05658	100.0
326.05811	3.2
352.57913	2.1
385.30765	2.0
398.51215	1.8
438.98807	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79700	0.9
57.13369	0.8
58.42810	0.8
59.01382	6.3
61.08814	0.8
63.46118	1.1
64.71121	0.9
69.32906	0.8
69.40993	6.5
71.01385	2.1
75.81631	0.9
87.24834	1.0
89.02468	2.5
96.96062	4.9
101.02478	1.8
108.02187	57.0
109.02478	0.9
109.02981	9.9
125.02422	1.9
134.99910	0.8
141.92247	0.9
151.03984	1.6
152.01167	46.8
153.01953	23.1
155.36142	0.8
163.04086	1.4
167.03546	1.3
173.27740	0.9
227.92685	0.9
285.06186	100.0
286.06528	3.3
323.13510	18.9
358.98111	1.0
440.52475	1.0
447.09189	1.3
470.26651	1.2
564.64539	1.0
613.47217	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.0
69.50739	3.4
69.51144	2.0
89.50385	0.7
94.86246	0.8
96.96018	8.3
98.79729	0.7
108.02180	60.5
109.02978	10.8
125.02474	3.8
129.82062	0.7
137.02475	1.4
143.07121	0.8
151.03999	1.1
152.01166	53.2
153.01961	24.4
163.03998	1.2
177.01942	1.7
196.79747	0.8
247.02423	1.2
261.00818	1.2
285.06183	100.0
286.06436	4.0
300.99915	1.0
305.06668	2.1
323.13464	8.6
357.84253	0.8
381.30811	0.8
383.26440	0.8
423.07123	1.6
447.09128	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.32779	0.4
58.05886	0.5
59.01386	3.4
61.98838	7.0
65.00317	0.7
67.01888	1.7
69.03448	0.7
70.07756	1.1
71.01385	3.7
71.62267	0.5
72.99306	0.8
73.02929	1.0
75.01022	0.4
78.95892	0.6
79.01930	1.5
81.03479	0.7
82.95411	0.6
83.01403	1.2
85.02962	1.9
88.98795	1.1
89.02469	1.1
91.49153	0.5
95.01411	2.8
96.96026	4.4
97.02948	1.1
99.00867	0.5
101.02448	2.6
107.01402	7.9
107.02084	0.4
109.03001	0.8
110.00083	0.8
111.00874	3.8
113.02440	1.3
117.03430	0.5
119.05032	1.0
121.02952	1.0
123.00897	13.5
124.01711	3.2
125.02461	38.3
126.02805	1.2
127.00388	0.9
131.07506	0.5
133.02963	2.2
135.04521	2.5
136.98862	2.5
137.02461	1.2
138.03226	0.6
139.00400	6.5
140.01207	5.9
141.01964	1.2
143.03542	0.5
145.02937	1.1
147.04585	0.7
149.02502	1.0
149.06168	0.7
150.03265	0.8
151.00386	10.3
151.03973	0.9
153.01947	1.7
161.02431	3.6
161.04498	0.7
163.00323	0.5
165.01894	0.7
165.05574	1.0
166.02756	2.4
166.99863	0.9
168.00639	7.3
169.01448	41.8
170.01845	1.5
172.77644	0.5
173.02480	0.6
177.01956	0.7
177.05595	0.5
178.02711	1.1
179.03543	2.1
181.01453	1.0
181.05075	5.7
191.03519	0.6
193.01448	0.7
193.05049	1.1
196.03697	0.6
203.03578	2.7
211.02522	3.2
211.06136	1.0
211.13435	2.5
218.05891	2.1
221.04649	0.9
233.08273	2.1
236.50851	0.5
241.07259	1.3
266.50537	0.5
271.04675	0.5
273.00317	0.5
275.12646	0.6
281.06693	0.8
284.03259	1.3
285.04062	9.3
286.04663	0.7
297.06372	0.7
299.99158	1.0
300.99899	5.2
313.05679	2.7
323.08038	0.7
341.08719	1.7
350.17987	0.5
394.62558	0.5
397.13690	1.1
415.14627	1.3
439.16116	4.1
447.10638	0.9
447.16788	1.9
457.17184	10.4
458.17529	1.0
482.49399	0.5
547.21906	0.8
609.18445	100.0
610.10114	0.7
610.18884	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	609.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40332	0.4
59.01394	4.7
61.45784	0.4
61.98837	4.2
63.03449	0.5
63.72194	0.5
65.57864	0.5
67.01887	0.8
68.99841	0.5
69.03457	1.3
71.01392	4.9
71.57468	0.5
72.83576	0.4
72.99306	1.9
73.02949	1.4
74.99113	0.8
75.00895	0.6
75.62881	0.5
78.95463	0.5
79.01904	1.0
83.01398	1.2
83.04987	0.7
84.95126	1.3
85.02948	1.3
87.00879	1.9
88.98819	1.0
89.02447	2.9
93.03458	0.7
95.01394	2.4
96.96030	5.3
97.02979	1.4
99.00904	0.7
101.02473	2.9
107.01402	9.7
109.02984	0.6
109.40545	0.5
111.00887	3.6
112.44063	0.5
113.02453	1.7
119.03525	0.6
119.05033	1.1
121.02953	0.8
121.03744	0.5
123.00909	12.6
123.04533	0.9
123.75394	0.6
124.01732	3.1
125.02467	41.5
126.02778	1.2
127.00365	1.6
133.02930	1.1
135.04582	0.7
136.98830	2.1
137.02443	1.2
139.00389	5.1
139.04103	0.5
140.01181	4.9
141.01947	1.6
143.03549	0.6
145.02934	1.7
149.02437	1.1
150.03201	0.9
151.00372	9.1
151.04001	1.1
153.01959	4.8
153.05525	0.7
161.02449	1.2
161.04602	0.7
161.09648	0.6
163.00362	3.9
163.04018	1.5
164.01164	0.7
165.01881	0.7
168.00691	6.0
169.01448	46.0
170.01785	1.6
175.80035	0.5
177.01939	0.8
178.02711	5.1
179.03439	1.4
179.07106	0.6
179.10770	1.5
181.01440	2.1
181.05046	1.2
183.06610	1.7
193.01401	1.6
193.05089	5.0
196.03767	0.7
197.00894	1.5
208.03931	0.7
211.02463	1.6
211.06148	5.6
211.13412	5.9
223.06148	2.0
223.09760	0.6
226.04797	0.7
237.03873	0.5
241.07188	9.7
285.04129	3.3
297.04059	1.5
299.99463	0.6
300.02728	1.2
300.99915	2.3
301.03531	1.7
313.05682	1.4
367.13974	0.5
387.16553	1.4
397.13400	3.6
415.14655	1.6
423.16400	0.7
439.16110	5.0
447.09930	0.7
457.17191	20.7
458.17514	1.4
565.15765	1.5
609.18268	100.0
610.18695	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	609.1462
Annotation	Rutine
Peak:m/z	Relative Intensity
63.02417	0.7
65.00333	1.2
69.46729	0.7
69.47124	2.8
73.74085	0.3
80.33348	0.4
83.01400	0.8
89.27398	0.4
96.96047	0.8
98.19943	0.6
107.01402	3.6
108.02166	1.2
109.03009	1.8
119.01374	0.5
121.02996	2.2
124.01668	0.5
125.02502	0.8
135.00919	0.9
142.80353	0.4
148.01704	1.8
151.00391	11.6
163.00415	3.2
164.01164	0.9
164.51964	0.3
169.01459	1.3
178.99889	5.7
192.00681	0.8
199.04051	0.7
211.04037	0.9
215.03535	0.8
216.04393	0.5
226.02748	1.3
227.03511	3.3
228.04224	0.4
229.05090	1.2
243.03024	10.7
244.03590	0.8
245.04543	1.3
254.02208	2.2
255.03004	26.3
256.03357	1.3
271.02499	55.5
272.03076	3.8
273.04120	1.1
283.02481	1.3
285.03864	0.5
299.02020	1.2
300.02780	92.2
301.03522	38.3
301.08539	0.6
302.03925	1.6
310.86047	0.5
343.04636	0.6
422.36639	0.4
447.09164	0.5
481.07303	0.4
609.14630	100.0
610.14935	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	609.1463
Annotation	Cyanin
Peak:m/z	Relative Intensity
53.56570	0.2
55.14635	0.2
61.98824	0.3
63.02414	0.5
65.00357	0.4
70.16322	0.9
83.01389	0.5
92.98571	0.2
96.96035	0.2
100.03278	0.2
107.01424	1.1
111.00884	0.3
125.02459	0.3
125.81814	0.2
133.02969	2.7
134.03761	0.5
148.01749	0.3
149.02446	0.8
151.00380	3.1
165.01981	0.3
167.97366	0.2
169.01399	0.3
175.04062	1.5
183.04599	0.3
185.06059	0.2
197.06151	0.3
199.04054	1.0
201.01997	0.3
209.17702	0.3
211.04004	0.5
213.05518	0.4
217.04979	0.6
227.03516	0.9
239.03711	0.3
241.05112	0.6
255.02995	1.1
256.03793	2.1
257.04504	0.3
267.02859	0.4
269.04504	0.3
283.02396	0.7
284.03284	42.2
285.04062	94.7
286.04413	3.9
299.05484	0.3
327.05051	1.5
387.00589	0.2
447.09344	100.0
448.09711	6.3
609.14496	4.7
609.23804	0.3
610.15228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02533	0.5
58.69869	0.6
59.01377	0.9
71.56509	0.7
96.96017	1.4
101.17663	0.6
107.01382	0.8
121.02972	0.7
125.02425	1.3
133.02957	2.3
149.02458	1.1
151.00386	2.5
151.03967	0.7
161.02454	0.5
165.01950	1.2
169.01402	2.1
175.04025	1.2
195.06642	1.4
199.04002	1.6
217.05003	0.9
252.32835	0.7
255.03015	6.7
256.03772	1.6
283.02554	1.9
284.03278	28.9
285.04062	100.0
286.04407	5.1
286.69016	0.6
300.02884	0.7
301.00006	1.0
327.05276	1.3
340.81668	0.7
384.67059	0.6
447.09344	88.0
448.09644	5.6
562.03339	0.7
604.52252	0.6
609.14648	10.3
610.15265	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1255
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
59.01398	0.7
61.98839	0.7
65.00340	0.8
69.30723	0.5
69.31120	1.8
71.01409	0.4
79.90948	0.2
82.95449	0.6
83.01402	0.5
88.98823	0.5
90.91916	0.2
94.76863	0.2
95.38202	0.3
96.96036	0.6
98.19907	0.3
101.02500	0.3
107.01402	2.0
110.02322	0.2
120.85989	0.2
121.02991	0.5
125.02446	0.4
132.02226	0.3
133.02966	9.4
135.04524	1.0
145.02914	0.3
145.55809	0.2
149.02467	1.6
151.00392	4.7
153.01973	0.2
161.02451	4.7
169.01479	0.6
175.04036	2.8
179.03568	0.6
189.58040	0.2
198.03142	0.4
199.04030	2.0
201.01897	0.8
211.13509	0.2
213.05501	0.4
215.03577	0.5
215.95782	0.2
217.05103	1.6
241.05116	0.8
243.03065	0.8
256.03601	0.3
257.04538	0.3
267.02997	0.4
284.03369	0.5
285.04071	100.0
286.01224	0.3
286.04428	4.8
301.03442	0.9
307.17825	0.2
323.07745	3.1
447.09277	2.9
447.30588	0.3
543.91583	0.2
609.12469	10.8
609.27643	0.4
610.13000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1247
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
52.18809	0.4
53.82661	0.4
59.01385	0.6
61.98836	1.1
63.02399	0.9
65.00343	0.9
68.66222	0.4
69.29078	3.7
71.01402	0.7
82.95429	2.2
83.01401	0.8
84.95131	10.8
85.78107	0.4
96.95999	0.7
105.03486	0.5
107.01411	1.9
109.02992	1.2
121.02871	0.5
125.02467	1.1
132.02190	0.6
133.02975	16.6
134.03761	0.6
135.04532	6.7
146.43132	0.4
149.02454	1.6
151.00378	4.1
153.01932	1.0
157.73680	0.4
161.02467	22.0
162.02742	0.7
169.01433	1.4
171.04588	0.5
175.04007	2.9
177.02011	0.4
177.05571	0.7
177.39171	0.4
179.03548	3.2
181.88690	0.4
185.06088	0.6
199.03998	2.6
201.01936	0.9
203.00481	0.4
215.03587	0.6
217.05087	1.3
221.04568	0.6
221.85706	0.4
240.04184	0.4
241.05051	1.2
241.07764	0.5
243.03067	0.6
246.42369	0.4
256.03860	0.4
257.04507	0.8
267.03055	0.5
271.19678	0.5
284.03311	5.7
285.04068	100.0
286.04376	3.7
323.07809	1.7
447.09070	2.3
452.17731	0.4
457.17090	2.0
468.05353	0.4
523.22107	1.2
547.22034	2.0
549.29309	0.4
609.12506	67.5
610.12933	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	609.0893
Annotation	Epigallocatechin 3,4',-di-O-gallate
Peak:m/z	Relative Intensity
57.93480	0.6
59.01410	1.0
59.37796	0.7
61.98835	5.8
62.12384	0.6
63.40820	0.7
65.87228	0.6
71.56493	1.1
72.99322	1.4
78.95963	0.8
82.23859	0.7
87.00896	1.4
88.98844	0.7
96.96064	2.9
109.02939	0.7
112.61967	0.8
113.67735	0.6
119.05084	2.3
125.02522	2.5
130.99812	0.6
132.02344	0.7
133.03009	1.2
134.79825	0.6
137.02477	1.1
139.02263	1.0
143.98615	0.7
145.02910	3.2
151.02307	1.8
157.02916	0.6
162.75285	0.6
163.04037	1.2
165.01944	2.2
169.01387	3.4
172.01698	1.7
180.04291	1.9
185.02481	2.0
188.01187	0.9
195.06683	1.6
200.01189	2.9
201.01985	1.1
212.85072	0.8
213.02246	4.4
216.00673	3.0
228.00769	1.8
229.01448	2.7
242.99405	1.5
244.00121	2.7
245.00865	1.1
257.01059	3.4
271.73401	0.8
271.99567	1.1
282.98892	1.2
283.99533	1.6
285.04044	4.9
297.00378	0.7
298.98331	1.1
299.99130	64.4
300.99918	100.0
302.00211	5.3
380.79208	0.6
463.05215	6.6
521.11316	1.5
609.08759	64.8
610.09033	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	607.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30922	0.2
61.98832	0.4
68.62932	0.2
70.57359	0.3
70.57716	0.6
71.01387	0.6
78.95916	12.7
79.95752	3.3
96.96027	100.0
96.96945	18.6
98.20580	0.2
101.02425	0.3
109.87031	0.2
118.96658	0.4
125.02478	1.1
132.98381	0.3
166.78181	0.3
169.01489	1.2
225.01691	0.2
234.36736	0.2
259.01352	0.2
263.86789	0.2
286.75909	0.2
300.99939	0.2
351.10150	0.2
385.74594	0.2
445.20563	0.3
547.24640	0.6
607.27374	3.2
608.28229	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2929
Annotation	Scortechinone T
Peak:m/z	Relative Intensity
56.23501	0.3
61.98844	0.6
62.69132	0.3
70.08115	1.3
78.95908	1.7
79.95739	2.8
96.96023	100.0
118.94237	0.7
119.66596	0.3
146.83020	0.3
185.70210	0.3
257.53366	0.3
305.33713	0.3
487.34399	4.4
488.34949	0.3
573.98505	0.3
607.29407	32.2
608.29724	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	609.0894
Annotation	EPIGALLOCATECHIN 3,5-DIGALLATE
Peak:m/z	Relative Intensity
59.01391	1.5
60.99297	0.7
65.64017	0.6
71.01408	0.9
77.16930	0.5
77.20590	0.6
84.68122	0.5
88.32092	0.6
88.98824	4.3
89.02465	0.8
96.96042	3.0
98.19852	1.4
103.96438	0.5
104.57422	0.6
107.01392	0.8
108.95861	0.6
119.05062	2.2
119.95052	0.6
121.02927	0.7
123.00870	0.9
125.02481	3.4
133.03001	2.3
137.89754	0.6
145.02974	1.0
148.01653	0.6
149.02495	0.8
151.00397	2.5
160.01698	1.2
163.04030	1.7
168.00589	0.8
169.01474	3.2
172.01669	1.7
175.04001	1.3
185.02481	2.1
188.01036	0.8
191.19472	0.6
200.01234	2.8
201.01898	0.6
211.02460	3.2
216.00645	3.4
217.04951	0.8
226.99940	0.7
228.00688	2.3
229.01462	2.5
242.99396	2.1
244.00154	5.1
245.00957	0.9
257.00928	2.1
270.98944	1.7
271.04608	6.0
271.99640	3.1
282.98819	1.9
283.99689	0.9
285.04086	37.0
286.04376	1.6
298.98239	2.1
299.99136	100.0
300.99911	95.0
302.00119	4.1
331.06702	1.5
346.05341	0.6
361.16611	0.8
387.14401	1.9
445.04272	1.6
463.05206	11.5
519.18719	4.2
609.08832	85.6
610.09058	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	607.1465
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
50.62244	0.2
59.01396	0.9
60.26487	0.2
61.98835	1.9
63.02396	1.2
65.00361	0.9
71.01405	0.5
72.99301	0.4
73.02966	0.2
78.83115	0.2
83.01414	0.4
86.65698	0.2
93.03452	0.5
96.96021	1.3
101.02454	0.3
102.59869	0.2
107.01379	1.5
109.02962	0.4
110.09156	0.3
113.02467	0.3
116.92899	0.2
117.03460	3.6
121.02947	0.4
125.02448	0.7
129.91014	0.2
132.02184	3.0
132.13315	0.2
133.02966	0.9
134.03789	1.7
135.04538	1.4
145.03011	0.3
149.02483	1.0
149.06050	0.3
151.00389	1.0
157.06699	0.2
159.04555	1.3
160.01671	9.6
161.02467	4.2
169.01395	0.8
169.06577	0.4
173.06012	0.3
175.04022	6.6
176.04468	0.2
177.05627	0.3
179.03560	0.8
181.06604	0.7
183.04575	0.7
193.05037	0.3
196.05261	0.3
197.06110	0.7
197.21495	0.2
199.04028	0.4
201.05568	1.0
221.04568	0.9
225.05615	1.2
227.03490	0.6
240.04126	0.3
266.72720	0.2
268.03775	5.4
269.04562	100.0
270.04919	4.6
283.06143	5.7
284.06494	0.4
300.99835	0.3
311.05566	0.3
323.07730	9.0
324.08084	0.5
337.09424	1.3
431.09641	0.4
544.70123	0.3
607.14551	21.5
608.15045	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	607.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82649	0.3
54.58313	0.3
59.01364	0.9
60.10002	0.3
60.84613	0.2
61.98836	2.0
63.02396	0.5
65.00330	1.0
70.32470	1.0
71.01392	0.7
73.02959	0.4
78.95905	0.5
82.95468	0.3
83.01430	0.5
85.02973	0.4
88.98833	0.4
90.46045	0.3
90.59389	0.3
93.03461	0.3
96.96002	1.9
101.02472	0.4
105.03463	0.3
107.01394	2.4
116.44105	0.3
116.92897	0.4
117.03470	6.2
121.02954	0.5
123.00869	0.4
125.02483	0.6
126.75933	0.3
132.02182	2.6
133.02950	0.6
134.03754	1.0
135.04559	0.5
135.85985	0.3
145.02928	0.3
149.02461	4.9
149.05971	0.3
151.00381	5.5
159.04567	0.9
160.01677	7.0
161.02429	1.7
169.01465	0.8
175.04012	5.4
179.03493	0.3
179.10789	0.4
180.05928	0.4
181.06616	1.2
181.12622	0.3
183.04529	1.1
183.77650	0.3
185.02385	0.3
191.07146	0.4
192.86195	0.3
193.05090	0.6
197.06113	0.6
201.05551	1.3
225.05579	2.3
227.03496	1.0
268.03784	3.3
269.04568	100.0
270.04883	4.8
283.06143	5.0
284.03232	1.1
299.05420	1.4
311.05508	0.3
321.16510	0.3
323.07751	3.8
337.09064	0.4
351.64526	0.3
426.35596	0.3
543.03320	0.3
563.35004	0.3
607.14624	19.3
607.26984	1.7
608.14874	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	606.3865
Annotation	Roseocardin
Peak:m/z	Relative Intensity
55.01887	1.3
57.03447	1.6
58.00607	4.3
59.01385	100.0
60.01722	0.8
61.98833	5.8
66.42808	0.5
69.32989	1.3
69.33412	2.2
70.02992	1.5
71.01388	62.0
72.01735	0.5
72.99318	6.1
73.02953	2.2
74.17871	0.4
81.03474	0.6
83.01394	2.9
83.04582	0.4
83.05006	2.0
85.02962	11.7
85.06608	1.9
86.02482	0.8
87.00892	2.9
88.04041	2.0
89.02454	64.6
95.01398	4.0
95.05025	0.7
96.04595	0.5
96.96014	0.8
97.06642	0.6
98.02495	0.8
99.00903	0.8
101.02457	41.4
108.08194	3.2
109.06619	0.5
110.06114	0.4
113.02462	21.5
115.03992	0.4
115.07629	0.9
119.03517	34.4
120.03838	0.6
123.00931	1.0
124.01675	0.4
124.07706	1.0
125.02441	1.2
126.09268	7.3
131.03502	3.2
136.07689	0.7
138.09262	3.1
139.07695	0.4
143.03523	6.0
149.04599	2.2
154.08711	0.7
156.10321	2.5
161.04578	4.9
166.08778	2.8
169.01387	0.8
179.05629	12.9
184.09801	1.6
202.35590	0.4
211.20721	3.0
239.20227	2.9
241.21716	11.3
242.22179	0.8
269.21265	1.1
271.22781	0.9
284.22198	0.5
285.04156	3.2
286.23898	1.7
287.22314	5.6
312.25452	5.8
328.24908	2.2
336.16782	0.6
378.30093	0.6
393.71619	0.5
396.31067	2.3
398.32846	0.8
408.31195	4.7
426.32278	45.7
427.32568	3.8
444.33359	19.4
444.39572	0.8
445.33514	1.0
543.14996	0.7
569.25739	0.5
571.24969	0.5
606.38629	78.0
607.19293	0.7
607.28406	1.1
607.38800	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	606.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.9
57.03454	1.6
58.00599	5.6
58.02965	0.9
59.01387	100.0
60.01740	0.8
61.98530	1.1
61.98840	12.8
69.76692	3.7
70.03008	1.4
71.01392	69.8
72.99305	7.3
73.02947	2.1
78.95896	1.3
83.01395	3.7
83.05026	2.4
85.02959	12.7
85.06593	2.0
87.00897	4.6
88.04040	2.7
88.98805	1.1
89.02457	72.1
95.01408	5.7
96.96016	3.7
99.08169	2.0
100.05889	0.8
101.02457	45.0
107.01385	2.5
108.08201	3.7
113.02468	25.0
113.03264	1.6
115.07690	1.1
116.82150	0.9
119.03521	39.7
123.00932	4.8
124.07669	1.3
125.02438	5.6
126.09263	8.7
131.03487	4.0
138.09259	3.2
139.00404	2.1
140.01099	1.4
143.03510	7.1
143.04520	1.3
149.04555	3.6
154.08757	1.7
156.10281	2.7
161.02475	0.9
161.04565	7.4
166.08788	1.7
168.00656	2.5
169.01474	6.2
179.05637	15.2
184.09831	1.5
219.13780	0.9
239.20168	4.9
241.21741	11.3
242.22099	1.1
268.42923	1.0
269.21127	1.5
271.22855	1.0
287.22305	7.4
312.25467	7.1
328.24951	2.2
340.24988	0.9
348.40253	1.0
396.31354	1.9
402.11865	1.9
403.12399	2.3
408.31174	6.4
426.32278	58.3
427.32660	5.7
444.27582	2.0
444.33347	25.9
445.33325	1.4
459.18781	6.9
533.12952	1.6
606.38672	93.0
607.20117	15.9
607.28882	1.9
607.39105	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	606.3867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59022	0.9
55.01876	1.8
57.03448	1.6
58.00603	4.4
58.17894	0.8
59.01387	100.0
61.98839	6.6
66.50138	0.9
69.33348	5.5
69.33770	2.6
70.02983	2.0
71.01389	67.3
71.78043	0.8
72.99313	5.2
73.02943	1.5
78.95934	0.9
82.16438	0.8
83.01387	3.8
83.05019	1.4
85.02962	12.8
85.06597	1.3
85.32422	0.8
87.00878	3.6
88.04025	2.1
88.12987	0.8
89.02456	69.3
95.01396	3.4
95.05014	1.1
96.96037	1.7
97.06581	0.9
98.02484	1.4
101.02460	38.3
102.02833	0.9
108.08209	4.7
113.01708	1.7
113.02464	23.6
113.09711	2.7
115.07568	1.1
119.03516	34.3
125.02383	1.0
126.09263	6.3
127.11243	1.0
131.03514	3.6
138.09259	2.8
143.03497	6.1
149.04573	2.4
156.10307	2.8
161.04593	6.0
166.08751	1.9
169.01500	1.5
179.05629	16.3
184.09761	2.0
211.20593	2.1
239.20103	3.8
241.21736	10.4
261.04199	1.0
269.21405	1.2
286.23944	1.6
287.22336	7.7
312.25552	6.2
328.25214	1.9
341.25754	0.8
396.31256	2.0
398.32526	1.1
408.31226	4.6
426.32312	47.4
427.32553	3.7
444.27582	1.7
444.33362	22.4
445.33694	2.4
461.58051	0.9
468.12314	0.9
503.91650	1.0
606.27631	4.9
606.38605	98.6
607.39166	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	605.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45744	0.5
57.03456	0.6
59.01377	3.7
60.99321	2.8
61.98837	5.0
67.01871	0.8
69.91901	0.5
71.01389	2.3
71.57394	0.6
71.57744	0.6
72.90901	0.5
72.99308	0.5
73.63409	0.5
78.95916	11.4
79.01907	0.7
79.95756	3.6
83.01374	0.8
84.26675	0.7
85.02972	1.1
88.98819	16.4
89.02469	1.2
95.01395	0.9
96.96027	100.0
96.96943	17.5
97.02962	0.6
99.00906	0.5
101.02486	1.2
107.01415	2.4
111.00880	1.4
113.02445	0.7
119.04999	0.8
121.02997	0.7
123.00906	7.4
123.04608	0.5
124.01700	1.0
125.02470	10.9
127.00440	0.9
136.98830	1.4
137.02467	0.9
139.00398	3.6
140.01175	2.3
141.01881	0.6
145.02943	0.9
151.00363	4.0
163.04054	1.1
168.00687	4.8
169.01450	12.9
177.04147	1.2
202.60962	0.6
211.02516	1.8
247.02496	1.0
271.04602	1.5
273.00507	0.8
297.05936	0.7
313.05768	1.0
329.05051	1.5
452.16757	1.2
453.06335	0.9
515.25037	14.8
516.24854	1.2
587.25006	0.7
605.26086	44.3
606.26447	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	606.3864
Annotation	Roseocardin
Peak:m/z	Relative Intensity
55.01893	0.9
57.03451	1.2
58.00589	3.1
59.01384	94.0
61.98838	4.6
65.95092	0.8
69.07938	0.8
70.03006	1.3
71.01389	60.2
71.56267	2.0
72.76280	0.9
72.99329	5.5
73.02945	2.2
78.95915	0.9
81.03431	1.1
83.01384	2.9
83.05032	1.9
85.02964	12.2
85.06606	2.1
87.00893	2.8
88.04050	2.4
89.02455	66.2
90.02791	1.4
95.01381	5.6
96.96024	1.1
97.02958	1.1
101.02458	39.2
105.37175	0.8
108.08205	4.1
113.02460	24.0
113.09671	1.2
119.03519	30.7
125.02528	1.0
126.09255	7.6
127.11291	1.6
131.03511	2.6
138.01961	0.9
138.09265	3.8
141.09129	0.9
141.12860	1.6
143.03523	5.7
149.04570	2.9
152.99660	1.0
156.10335	1.7
161.04591	5.8
163.42122	0.9
166.08723	2.4
169.01402	1.0
172.86069	0.9
179.05617	13.4
184.09772	2.5
211.20703	1.5
221.19115	1.1
239.20222	2.4
241.21751	12.8
269.20999	1.4
287.22449	9.0
312.25482	5.8
363.55145	0.9
378.30087	1.5
396.31036	2.0
408.31210	5.7
426.32288	55.6
427.32220	4.0
444.33371	20.8
445.33835	1.9
606.38654	100.0
607.39154	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	605.2407
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
52.22592	0.7
59.16056	0.7
69.64317	0.8
71.56401	1.2
74.69827	0.8
78.75372	0.8
135.37929	1.0
145.02959	1.7
163.03882	0.8
212.19441	0.9
215.34288	0.8
244.86183	0.9
247.02434	1.5
271.47855	0.8
273.00211	1.1
334.80548	0.8
336.20410	0.9
429.17154	1.7
430.18106	0.9
444.18930	1.3
457.20523	1.9
459.18228	2.9
460.18536	0.8
471.17441	1.6
473.19858	5.2
474.20325	0.9
485.24130	1.0
486.20645	3.8
487.21445	0.9
499.17963	2.9
501.22867	3.1
511.21326	2.4
512.21790	1.1
513.19299	2.8
514.20135	8.9
518.19647	1.7
529.22485	100.0
530.22833	10.3
533.21997	1.5
589.80212	1.0
605.24811	1.0
605.38660	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
61.41896	0.6
61.91917	0.6
65.44010	0.5
69.46963	2.3
69.47388	2.2
71.01357	1.0
113.02424	0.6
117.03467	1.4
119.05032	1.1
121.02985	0.6
123.00903	0.8
125.02490	3.5
133.02943	1.9
137.02455	0.8
145.02959	2.8
147.04529	2.1
153.87363	0.8
161.02505	3.9
163.04031	1.5
169.01448	4.3
173.02425	3.4
174.02930	0.7
175.03976	1.8
189.01965	7.4
190.02686	1.9
191.03508	9.5
201.01958	3.6
203.03502	1.7
205.01434	0.8
216.00616	1.2
217.01430	24.1
218.02000	1.3
219.03038	4.1
229.01398	3.7
244.00177	2.3
245.00941	22.0
246.01447	1.9
247.02492	100.0
248.02797	2.9
249.44058	0.7
273.00439	73.0
274.00836	3.0
291.01489	37.1
292.01816	1.4
301.00037	0.8
331.06509	0.8
333.02628	2.6
363.03674	3.4
393.04700	11.1
410.16068	0.6
435.05679	13.9
436.05875	1.0
453.06650	47.4
454.07065	3.7
605.07782	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	605.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88828	0.7
55.83767	0.7
69.70489	4.1
71.01402	0.7
72.51292	0.8
96.96040	1.2
107.01376	0.8
109.37234	0.8
117.03459	1.0
119.05016	0.8
123.00870	1.2
125.02468	3.4
133.02965	1.9
145.02942	3.9
147.04539	2.2
149.02451	0.8
153.46143	0.7
161.02448	5.4
163.04019	2.4
169.01468	4.6
170.01714	0.7
173.02454	3.9
174.03325	0.8
175.04018	2.7
177.01930	1.1
181.05098	0.8
183.37296	0.7
189.01958	6.8
190.02731	2.0
191.03539	8.3
201.01945	3.0
203.03442	1.7
209.01057	1.3
213.44894	0.7
216.00644	0.6
217.01430	24.2
218.02138	0.9
219.03043	4.5
221.04535	0.8
229.01445	2.8
244.00223	1.1
245.00919	29.1
246.01555	2.9
247.02489	100.0
247.47946	0.7
248.02841	4.3
260.88937	0.7
273.00433	77.3
274.00729	3.6
278.00400	0.8
283.04578	0.9
291.01480	29.5
333.02466	2.2
349.61002	0.8
363.03448	1.3
391.06491	0.8
393.04526	4.3
435.05621	10.5
436.05695	1.0
453.06763	40.3
454.06970	2.1
465.06400	0.8
605.07825	31.7
605.16748	1.3
606.08032	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
69.47739	4.1
76.04844	0.7
77.06016	0.7
87.00857	0.7
96.95996	1.4
117.03425	0.9
119.05052	0.9
123.00905	1.0
125.02418	2.3
133.02971	1.3
145.02948	3.3
147.04500	1.7
161.02492	2.3
163.03976	2.1
165.01927	0.8
169.01408	2.6
173.02451	3.3
175.03970	1.8
189.01880	5.2
190.02635	1.4
191.03506	6.7
201.01944	2.7
203.03455	1.7
209.00993	0.9
217.01427	18.0
218.01906	1.3
219.03046	3.6
229.01399	2.6
245.00922	21.6
246.01495	2.2
247.02483	100.0
248.02861	3.6
263.02005	0.9
273.00418	53.8
274.00797	1.3
291.01489	29.0
292.01807	2.0
333.02496	2.0
363.03979	1.8
393.04721	5.7
435.05753	6.3
453.06760	57.2
454.07312	3.6
503.98102	0.8
526.63989	0.9
605.07867	18.5
605.17273	0.7
606.07715	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4061
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
61.95105	0.2
70.97137	0.3
70.97459	0.3
74.29705	0.2
81.15790	0.2
113.29915	0.2
119.12280	0.3
121.02969	0.3
132.02170	0.6
133.02974	13.8
134.03766	3.4
134.89346	0.3
135.04527	4.0
137.02469	2.7
139.04039	0.4
150.03241	0.3
154.66081	0.2
161.02460	33.1
162.02798	1.0
178.02689	0.5
179.03548	1.8
263.14584	0.2
284.31171	0.2
389.65604	0.3
460.80240	0.3
468.99835	0.3
603.40576	100.0
604.40948	12.1
604.55957	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55734	0.4
58.60464	0.4
66.86956	0.4
92.37007	0.4
98.19865	1.0
133.02968	14.0
134.03793	3.5
135.04555	4.7
137.02449	3.0
139.04025	0.8
161.02457	34.6
162.02739	0.9
178.02737	0.6
179.03513	1.4
186.95422	0.4
249.26091	0.4
264.84106	0.4
332.18658	0.5
504.30420	0.5
520.96539	0.5
603.40576	100.0
604.40973	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	603.406
Annotation	3-O-(E)-Caffeoylbetulin
Peak:m/z	Relative Intensity
51.56076	0.1
71.19857	0.1
77.03975	0.1
105.03439	0.2
106.04247	0.2
117.03461	0.1
121.02982	0.5
126.75762	0.1
132.02144	0.6
133.02975	16.1
134.03769	4.1
135.04546	4.9
137.02466	2.6
138.02805	0.1
139.04013	0.9
150.03264	0.3
156.41510	0.1
161.02464	39.6
162.02821	1.0
178.02673	0.6
179.03506	1.8
450.59100	0.1
603.40576	100.0
604.40930	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	603.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99323	12.7
61.98840	2.6
70.97881	5.5
74.06181	2.5
77.86107	2.3
87.00890	3.9
88.00393	12.2
88.98822	74.1
89.02454	100.0
90.48100	2.8
92.92830	5.1
100.37791	2.6
113.12191	2.3
384.65671	2.8
520.41675	2.9
603.19690	6.4
603.37372	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	603.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	15.2
61.98846	15.4
66.81627	6.1
67.18805	5.5
70.12086	11.8
70.12467	12.9
70.94706	5.8
78.95891	17.7
89.02419	12.1
92.92780	7.3
95.54756	6.1
96.96027	100.0
96.96977	21.6
98.19969	9.6
98.95601	44.8
98.96442	7.7
101.02441	6.7
105.17310	5.7
107.01375	11.8
109.13776	6.1
117.78687	6.8
125.02434	21.8
138.47092	6.4
140.46677	5.5
141.72444	7.3
149.82661	5.4
169.01410	27.7
171.10271	10.2
172.10582	9.0
173.23685	6.9
196.30647	7.1
209.11977	8.7
211.13577	8.8
212.13736	19.4
233.49026	6.2
300.99994	9.0
318.39850	7.6
319.45181	6.9
345.71814	6.5
446.98410	6.5
528.76825	7.0
530.53375	5.8
603.25879	57.3
605.08704	7.5
625.35822	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	603.2669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.0
59.01384	7.9
61.98542	1.6
61.98835	27.6
68.99573	9.4
69.18581	10.5
71.01392	6.8
73.02945	3.4
73.82683	0.8
78.95921	1.0
79.01858	0.9
83.01430	1.0
85.02978	1.4
87.00905	1.4
89.02453	2.9
89.41412	1.0
96.96020	6.0
96.96945	1.4
99.00890	1.2
101.02435	3.1
107.01395	1.7
112.98582	9.2
115.48232	0.9
119.04973	2.7
121.02968	100.0
122.03274	2.1
122.06094	1.0
123.00844	2.0
125.02486	6.1
131.03490	1.0
145.02922	3.0
148.97159	0.9
151.00352	1.7
161.04649	1.2
169.01416	8.4
180.21147	0.9
217.12349	1.0
270.98810	0.9
285.03983	3.9
300.99817	2.8
313.05606	3.8
421.20706	2.5
461.76956	1.0
543.24347	12.8
603.20007	6.9
603.35858	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	603.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14731	0.4
50.55883	0.4
53.28647	0.3
55.01889	0.5
58.63568	0.3
59.01385	2.8
59.01890	0.4
60.65850	0.4
61.98838	1.2
64.67074	0.4
69.03467	0.7
70.43593	1.4
71.01390	3.6
72.99335	0.4
73.02949	1.2
75.22140	0.3
78.95896	0.4
79.01891	0.8
83.01381	0.6
85.02968	1.3
86.00121	0.4
86.08648	0.4
86.56670	0.4
88.98826	0.4
89.02434	0.7
95.01399	1.1
96.96048	0.6
97.03001	0.8
99.00898	0.7
101.02464	2.9
101.23666	0.4
104.60146	0.3
107.01403	31.0
111.00896	0.9
113.02445	0.9
115.04132	0.4
123.00910	6.5
125.02460	61.0
126.02753	0.7
131.03500	0.4
136.98868	0.4
139.00414	2.5
139.04018	0.5
140.01146	1.0
141.01953	0.9
151.00378	3.3
161.04601	0.5
168.00716	0.6
169.01443	86.6
170.01805	1.4
171.10312	0.4
182.87036	0.4
211.13365	0.6
220.93614	0.4
235.40558	0.4
319.21155	0.5
358.81659	0.5
424.30728	0.4
441.68167	0.4
603.26599	100.0
604.27124	8.3
604.36261	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.1
57.03444	0.4
59.01392	4.8
61.98831	1.2
67.71290	0.4
68.99833	0.5
69.03439	0.7
69.20425	0.5
69.20828	3.1
71.01387	7.1
72.99326	1.2
73.02962	4.1
75.00845	0.3
75.62578	0.3
79.01878	1.7
83.01396	2.0
85.02961	5.1
87.00885	0.5
88.98795	2.1
89.02446	1.4
95.01399	3.2
96.85688	0.3
96.95993	0.8
97.02947	1.2
98.19913	0.5
99.00880	1.8
101.02447	5.9
107.01398	4.2
111.00896	1.2
113.02463	2.5
115.03992	0.5
118.96887	0.3
119.03464	0.3
123.00902	29.6
125.02466	13.8
131.03496	0.5
136.98827	0.8
137.02477	0.3
139.00398	7.3
140.01239	1.6
140.02097	0.4
141.01942	3.1
151.00386	17.6
159.03024	0.5
161.04570	1.1
163.03984	0.5
165.01956	0.4
166.02699	0.4
168.00684	2.0
169.01447	16.5
171.10216	0.5
172.10663	0.4
211.13458	0.5
283.04568	1.7
319.21222	1.0
451.25555	0.9
509.24026	0.4
599.30042	0.4
603.26624	100.0
604.26965	10.6
604.36414	0.7
607.74786	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07660	1.1
59.01388	3.6
59.96502	0.8
61.98840	4.3
65.76103	1.0
69.63889	4.1
71.01376	2.6
71.78883	0.8
78.95926	1.5
83.50927	1.1
93.03490	4.6
96.96010	4.5
98.19724	0.9
99.00849	1.3
101.02438	1.2
107.01408	3.5
109.02981	1.4
111.00847	1.0
113.02505	1.1
121.02940	7.6
122.03750	11.8
123.00917	5.5
125.02465	17.3
131.58888	0.9
133.02954	1.3
134.03743	0.9
135.01003	1.0
135.04524	2.9
137.02502	5.6
139.00380	1.7
147.00830	0.9
149.02455	15.9
150.03242	82.9
151.00410	6.1
151.03552	2.3
159.02911	1.1
161.02490	2.5
163.03998	1.0
164.01076	1.3
164.04765	3.1
165.01927	10.1
165.05589	100.0
166.02744	9.3
166.06360	13.9
167.03479	0.9
167.07103	1.0
168.00685	2.4
169.01442	22.0
177.02016	1.1
179.03535	9.3
180.04317	12.9
181.05077	11.4
181.08678	7.2
187.18736	0.8
191.03529	3.7
192.04002	0.9
194.05890	2.3
194.99510	1.3
195.06645	91.4
196.07143	3.6
210.05406	1.3
211.02470	5.5
211.09846	2.6
225.07661	9.4
235.02400	2.9
235.93089	0.9
271.04651	4.8
285.04041	2.3
296.42795	0.9
300.99988	2.4
301.10703	1.7
313.05814	2.2
329.10321	8.1
343.11890	2.5
344.12671	8.9
347.15002	1.4
359.10501	1.8
359.15024	31.6
360.15402	1.9
373.12939	3.0
407.17245	1.6
421.15067	1.0
451.11801	1.4
465.06729	3.3
540.21765	9.9
541.22894	23.3
555.22498	2.9
559.13684	1.3
603.11578	3.8
603.29272	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	603.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12379	0.9
59.01375	2.0
61.98835	10.1
69.03469	2.0
69.21085	2.0
69.21490	7.3
69.87302	0.8
71.01408	2.9
80.11752	0.9
81.03507	1.3
88.98830	2.8
93.03482	5.0
95.01417	3.6
96.96024	20.6
96.96988	1.6
97.02982	2.0
98.95570	1.4
107.01437	2.9
109.02972	1.1
113.02476	2.9
117.03459	1.3
119.05050	2.4
123.00913	3.0
124.01731	1.4
125.02458	59.1
126.02801	2.0
129.32011	1.0
137.02472	11.6
139.00377	1.1
145.03015	4.2
147.04538	1.9
149.02444	1.5
151.00433	2.3
151.04083	1.3
153.01993	3.4
161.02481	1.8
163.04123	2.9
165.01981	1.5
165.05615	2.1
166.02718	1.6
168.00697	1.9
168.05931	1.2
169.01443	100.0
170.01782	2.6
173.02495	3.9
174.03273	1.9
177.01929	2.2
179.03600	1.9
181.01430	10.1
181.05167	1.3
190.02840	1.5
191.03522	2.0
192.00652	1.4
193.01552	1.5
196.02257	0.9
196.03830	4.9
201.02029	3.6
203.03613	1.2
205.18533	1.0
207.03021	5.3
209.04636	1.5
211.02565	2.6
217.01538	3.4
218.02187	7.2
219.03026	3.5
224.03264	1.5
231.02998	6.9
233.04562	7.2
235.02519	9.5
244.00110	0.9
245.00890	11.3
249.04100	1.1
262.01294	2.6
263.01968	20.1
264.02466	1.2
271.04996	1.2
276.02817	2.3
277.03561	34.5
277.06412	1.9
278.04050	1.9
294.04034	3.1
295.04645	4.8
300.99976	12.4
313.05804	1.9
425.07236	1.2
433.07819	9.6
439.08719	2.0
451.03671	1.1
451.09143	4.3
457.10132	1.1
540.22467	2.5
553.09918	2.9
571.10919	7.5
585.12537	8.0
603.13733	46.0
604.14240	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	603.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.18090	0.6
59.01381	3.4
61.50269	0.6
61.98849	3.7
63.19104	0.6
65.03986	0.6
69.03472	1.4
69.42764	3.4
69.43189	1.7
71.01384	3.5
72.99327	0.9
73.02961	0.9
78.95906	0.9
79.01933	0.7
81.03477	0.7
85.02956	1.5
88.98824	1.6
89.02459	0.7
93.03465	44.3
94.03823	0.9
95.01391	1.8
96.96030	5.7
97.02961	0.7
98.19937	1.5
99.00838	0.7
101.02468	1.8
107.01395	4.5
107.05010	0.6
109.02929	0.8
111.00883	2.1
113.02454	2.2
116.92843	1.2
120.46398	0.6
121.02988	0.6
123.00911	6.7
124.01695	0.8
125.02460	64.8
126.02813	1.0
133.03085	0.9
133.46828	0.6
137.02457	89.2
138.02815	1.1
139.00374	2.9
140.01236	3.5
141.01920	0.7
151.00410	4.8
151.04036	2.7
154.05453	0.7
163.04164	0.9
165.01982	1.4
167.03482	0.8
168.00636	5.3
169.01440	85.4
170.01770	2.0
179.03522	2.7
181.01453	1.0
183.03018	0.9
184.85962	0.8
193.01414	2.9
196.33669	0.7
211.02495	7.8
223.02341	1.1
243.06592	1.1
253.03450	0.9
259.10846	1.7
269.04413	0.8
271.04599	1.3
281.06616	0.6
285.04077	1.2
295.04648	1.2
300.99774	1.5
311.86926	0.6
313.05643	13.7
331.06708	2.6
433.07758	7.9
451.08948	8.4
452.09531	0.9
465.06827	3.2
483.07806	17.8
484.08286	1.0
509.22116	1.0
527.22760	1.0
596.85901	0.7
603.09967	100.0
603.24969	2.7
603.31165	1.9
604.10358	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
61.98852	0.3
67.01902	0.4
68.99815	0.3
69.03463	1.6
69.45580	1.4
71.01393	0.8
79.01915	0.6
81.03465	0.7
83.01413	0.4
85.02971	0.4
93.03463	2.7
95.01404	0.7
96.96032	1.1
97.02975	1.7
98.19933	0.4
101.02464	0.3
107.01392	2.3
111.00884	0.3
113.02461	0.4
121.02972	0.2
123.00876	1.5
124.01640	0.5
125.02459	56.2
126.02846	1.1
137.02463	5.6
139.00429	0.5
140.01120	0.2
145.02974	0.3
149.02512	0.2
151.00392	0.8
162.17212	0.2
163.04147	0.3
165.01959	0.3
165.87663	0.2
166.60490	0.2
167.03485	0.3
168.00676	0.5
169.01437	100.0
170.01784	2.6
179.03458	0.7
191.03604	0.2
193.01474	0.4
206.02353	0.2
211.02402	0.9
246.03896	0.2
281.06766	0.7
295.04614	0.3
300.99832	1.2
304.08029	0.2
313.00125	0.2
313.05664	0.7
388.33084	0.2
398.12332	0.6
433.07776	8.5
434.07962	0.4
451.08804	1.5
465.07297	0.2
526.98932	0.5
540.21948	0.3
560.17993	0.6
603.09711	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	602.3915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.30785	0.9
64.94131	1.1
67.83796	1.1
69.23682	10.9
98.20724	1.4
111.24158	0.9
126.73799	1.2
248.64561	1.0
309.97083	1.2
369.14240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.0057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91648	6.6
62.15441	8.2
65.76540	7.1
89.26436	7.2
128.01764	7.6
229.01445	7.0
238.94525	7.3
300.99930	100.0
399.19189	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	603.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97935	0.2
59.01370	0.3
61.98837	0.7
68.99582	1.0
69.03457	1.5
71.01388	0.6
79.01892	0.5
81.03467	0.6
85.02952	0.3
87.00887	0.3
93.03465	15.6
94.03796	0.2
95.01413	0.6
96.96018	0.9
97.02970	1.4
99.00900	0.3
100.43986	0.2
101.02454	0.3
107.01395	3.2
111.00887	0.5
112.98562	0.8
123.00893	2.4
124.01739	0.5
125.02457	58.1
126.02785	1.1
127.00421	0.2
137.02455	34.3
138.03072	0.7
139.00351	0.6
140.01173	0.4
149.02385	0.2
151.00388	1.3
151.04045	0.3
153.01991	0.3
161.02492	0.4
168.00632	0.7
169.01437	100.0
170.01776	2.5
179.03531	0.7
179.07146	2.0
181.01401	0.6
193.01482	0.4
196.03802	0.6
211.02472	0.8
211.06168	1.1
211.07874	0.2
223.06093	0.8
267.05099	1.0
281.06689	0.2
295.04730	0.3
301.00052	0.4
313.05722	1.9
383.85373	0.3
427.83002	0.2
433.07773	20.6
434.08167	1.5
451.08862	1.2
559.13611	0.3
603.09882	3.8
604.10675	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74600	0.6
59.01370	1.8
70.24198	1.7
70.52120	0.6
71.01391	1.2
81.03442	0.8
82.02980	1.7
89.02458	0.7
101.02444	0.7
113.02483	0.9
115.13383	0.5
116.74032	0.6
117.03425	0.7
123.04516	0.7
124.01665	1.2
125.02402	0.7
137.02460	1.8
148.01659	1.6
149.02414	1.3
150.03249	17.3
151.04025	23.0
163.04022	9.2
164.01147	2.0
169.01463	1.3
175.04124	0.8
176.01157	23.6
177.01811	2.3
189.01877	1.2
193.01509	0.6
194.02216	25.7
195.02991	1.7
200.07135	0.6
202.08742	2.2
203.05942	0.6
207.02913	0.7
220.09802	2.6
228.06630	1.3
230.04578	0.6
245.00864	0.6
246.07774	3.1
270.98840	2.2
289.05847	0.7
309.06216	9.6
327.07224	28.1
328.07819	1.0
338.42410	0.5
422.10974	3.4
454.09885	1.4
469.12210	4.4
602.17303	100.0
603.07416	1.1
603.17419	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	601.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99585	0.2
59.01382	0.3
61.98838	0.2
69.52719	0.7
69.53132	0.8
75.79977	0.2
78.95912	11.0
79.95744	3.1
87.60433	0.2
88.64352	0.3
95.01434	0.2
96.78077	0.2
96.96024	100.0
96.96942	18.4
123.00916	0.3
125.02440	0.7
146.03719	0.4
149.02464	0.2
150.03247	1.0
151.00359	0.3
164.04768	0.5
165.02100	0.2
165.05577	1.2
166.02785	0.5
169.01443	1.1
179.07167	0.7
181.05038	0.4
195.06604	1.0
300.31189	0.2
300.99890	0.3
301.60071	0.2
312.15656	0.2
349.90356	0.2
448.37976	0.3
500.81549	0.3
593.68530	0.2
601.13312	0.3
601.24646	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35709	0.4
51.05621	0.5
59.01391	0.8
61.98830	0.8
71.01379	1.1
71.56322	0.7
72.99305	0.7
78.95911	21.8
79.63956	0.5
79.95743	4.0
82.66652	0.4
88.98808	1.1
96.96024	100.0
96.96975	35.6
101.02468	0.6
113.53831	0.4
141.92256	0.4
171.10289	17.5
183.13943	1.2
211.13403	15.1
253.09361	1.1
414.70291	0.5
447.22522	0.7
487.93988	0.5
601.32184	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91109	0.2
59.01383	0.4
62.96417	0.3
69.45024	0.2
70.89884	0.5
78.95911	55.1
83.43104	0.2
89.02453	0.5
96.96971	100.0
133.39204	0.2
138.98067	0.2
178.04559	0.2
179.05611	0.5
259.02252	4.3
435.80237	0.2
439.08398	0.7
503.16150	0.9
560.26801	0.2
601.13885	3.7
602.14343	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.4
61.57409	0.2
62.96384	0.3
66.53279	0.2
71.55526	0.4
78.95912	55.9
79.95754	0.4
96.96049	18.0
96.96969	100.0
98.86160	0.2
113.02446	0.4
138.98096	0.3
163.04073	0.2
168.99023	0.3
211.20180	0.2
259.02243	4.6
276.00903	0.2
293.97995	0.2
298.44672	0.3
299.86047	0.2
300.99799	0.5
309.51572	0.2
359.52234	0.3
434.36380	0.3
439.08441	0.6
503.16132	1.1
601.04584	0.4
601.13849	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	601.1206
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
58.36520	0.2
59.01383	1.4
61.98841	2.0
67.01900	0.5
68.84904	0.2
69.03458	1.4
69.41487	1.6
70.84008	0.2
71.01387	0.9
71.14069	0.2
72.16272	0.2
72.99290	0.2
73.02945	0.2
75.00872	0.3
78.95909	1.1
79.01923	0.9
79.95759	0.2
81.03446	0.5
83.01362	0.3
85.02987	0.3
87.63236	0.2
89.02441	0.5
92.81799	0.2
95.01394	0.6
96.96024	10.5
96.96944	1.8
97.02969	1.1
98.95619	0.5
99.00907	0.3
101.02469	0.6
105.01954	0.5
107.01403	11.0
111.00948	0.2
113.02457	0.4
119.05013	0.2
123.00910	2.3
124.01692	0.5
125.02460	54.8
126.02816	0.7
135.04550	1.6
139.00362	0.8
140.01155	0.5
141.01947	0.4
145.02979	0.5
149.02472	0.2
150.03223	0.2
150.19620	0.2
151.00352	1.1
153.02037	0.2
158.09250	0.2
160.04033	0.2
163.03970	0.2
164.01045	0.2
165.05569	0.4
167.03519	0.2
168.00664	0.3
169.01442	100.0
170.01799	2.3
171.10323	0.4
193.01443	0.2
211.02539	0.6
269.04190	0.3
285.04086	1.2
287.22354	0.3
301.00159	0.3
331.06717	0.8
431.09897	2.2
432.09836	0.2
449.10947	0.9
449.28000	0.4
457.09851	1.2
459.11557	0.9
474.82999	0.2
533.24371	0.3
601.12268	2.3
601.28900	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	601.1201
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
61.70938	0.8
61.98824	1.3
64.50138	0.9
65.00333	4.6
67.89150	0.9
69.29510	6.5
71.01385	1.7
71.04736	0.9
74.14602	0.9
77.75171	0.8
83.01392	2.4
87.82406	0.8
90.13163	0.8
95.86008	0.9
96.95996	1.9
98.19777	0.8
107.01395	14.0
109.15195	0.9
113.88428	0.9
119.10371	0.8
122.03720	1.4
123.00903	4.5
125.02460	31.0
133.02939	1.4
135.04535	31.2
137.02385	0.8
139.00380	1.4
140.01241	1.3
149.02487	1.7
150.03227	6.1
151.00385	47.6
156.87094	0.8
159.04517	13.2
161.02460	9.4
165.01938	5.4
165.05588	7.3
166.02580	1.0
168.00711	1.4
169.01434	34.1
170.01788	1.5
172.48651	0.9
176.04802	1.0
177.01973	1.2
177.05539	1.2
179.03574	2.1
181.05135	2.1
194.05894	1.7
195.06627	6.1
201.05624	5.0
203.03500	3.3
209.08173	3.1
211.02388	1.0
219.06560	2.7
225.05524	3.3
243.04359	1.7
243.06644	22.3
243.08929	1.8
244.06992	1.4
269.04596	1.5
271.04565	1.2
287.05640	14.6
288.06082	1.1
301.00024	1.0
313.05667	22.9
449.10974	4.4
475.09052	1.4
557.13086	3.2
601.12061	100.0
601.28412	8.1
602.12408	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	601.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29029	1.3
56.44703	1.3
57.03442	5.1
59.01395	3.7
61.98823	2.5
65.00313	5.1
71.01378	3.0
78.95897	4.0
83.01380	1.9
95.01350	1.6
95.05040	1.4
96.96006	2.9
96.96970	1.4
107.01404	88.6
109.02988	6.8
110.88531	1.6
111.00923	1.5
113.02431	2.4
119.79732	1.4
122.03731	1.9
123.00920	7.0
125.02471	49.5
133.02939	2.0
135.04547	62.5
137.02426	2.7
140.96614	1.4
149.02457	3.5
150.03247	8.6
151.00400	48.0
159.04558	2.6
161.02451	7.6
165.01974	8.1
165.05594	8.9
166.02753	2.3
168.00679	2.5
169.01442	34.8
177.01979	9.4
177.05536	2.1
179.03584	2.0
180.04291	5.6
181.05095	7.1
194.99367	86.8
195.06583	9.8
195.99672	1.8
202.78748	1.6
211.02505	2.3
215.00381	1.5
218.99403	2.0
225.07672	3.7
237.00285	1.4
243.06593	4.9
287.05594	10.4
313.05685	26.3
314.05875	1.4
338.99789	2.1
339.03604	28.3
345.13281	2.2
357.13486	3.9
386.27100	1.6
423.09647	3.4
449.11041	19.1
475.08853	100.0
476.09485	7.6
523.20062	1.7
539.21167	1.9
582.19830	1.6
601.12024	65.0
601.27441	8.0
602.12476	3.8
622.84198	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	600.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.0
61.98822	4.0
68.96630	1.4
69.48386	6.6
69.48799	4.0
71.01382	3.7
79.01899	1.9
89.02440	1.6
93.30587	1.4
96.96006	6.1
97.57854	1.2
106.96507	1.4
107.27952	1.4
123.00909	9.9
125.02447	14.5
139.00374	3.1
139.04041	1.6
151.00368	7.8
151.49475	1.6
155.64496	1.6
168.00615	3.1
169.01445	20.5
193.04984	2.2
205.12233	1.8
211.02487	4.0
259.30341	1.7
261.69690	1.6
271.04538	9.5
537.19806	100.0
538.20129	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	601.0276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26968	0.7
57.55072	0.7
59.01385	100.0
71.26441	1.4
76.47417	0.7
78.26467	0.8
106.76382	0.7
110.76338	0.7
115.02522	6.5
117.00470	6.3
119.20020	0.7
132.98207	2.0
132.99117	1.3
141.00494	1.1
156.99959	1.2
157.03641	1.6
159.01509	64.4
160.01668	3.0
174.99266	16.5
176.98116	29.3
177.98288	0.9
201.02570	22.7
201.04312	1.6
202.02765	1.7
217.00317	45.9
245.31992	0.8
259.01556	2.3
274.99554	2.9
284.01526	0.8
301.02689	50.2
302.02960	4.1
317.00452	33.9
318.00690	2.6
332.98557	1.5
359.01511	16.6
360.02011	1.0
374.99603	2.1
429.50903	0.8
446.92279	0.7
459.01733	9.0
460.01993	1.3
498.99527	1.2
541.00647	34.8
542.00757	5.5
571.01263	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21256	4.5
59.36463	4.6
60.99298	14.2
68.99576	17.9
71.57013	5.5
71.57349	5.2
72.21288	4.7
76.74706	5.3
85.03020	4.8
88.98819	100.0
96.96030	6.4
112.98545	18.0
272.86285	4.8
285.04099	16.3
400.68280	4.9
437.30463	12.3
467.31113	6.1
469.33267	73.3
470.33966	7.5
487.34271	66.9
488.34973	7.6
489.29715	13.2
507.30826	6.3
509.32455	31.3
527.33521	68.8
545.34583	11.7
553.31714	25.1
571.32574	87.0
572.33270	10.7
599.23840	22.3
599.32172	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	600.194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91991	0.8
59.01385	2.1
61.98833	3.8
69.86922	5.0
70.84272	0.8
71.01401	2.8
80.04363	0.8
85.02953	1.0
95.01435	1.0
101.02427	1.7
107.01413	3.1
111.00905	2.1
113.02480	0.9
123.00901	11.9
124.01723	1.2
125.02466	13.7
138.69772	0.9
139.00388	3.8
140.01161	2.1
141.01956	1.1
143.00128	0.9
146.21964	1.0
151.00386	8.2
152.08505	0.9
166.87378	0.8
168.00618	4.8
169.01442	20.1
173.50005	0.8
205.12489	1.4
211.02499	5.3
271.04666	5.4
313.05524	1.3
375.03058	0.9
409.51404	0.8
537.19812	100.0
538.20007	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07161	1.0
59.01382	2.7
60.99311	16.6
61.98828	4.0
68.68595	1.0
69.37009	9.5
78.95918	4.3
88.00404	2.3
88.98816	100.0
89.02451	24.7
96.96035	5.4
96.96977	6.2
134.51393	1.1
194.41440	1.1
209.11923	1.7
285.04050	4.5
383.17688	1.2
487.34070	1.9
599.10638	1.4
599.21509	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	599.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	60.8
60.62061	1.1
68.22346	1.0
71.01405	2.2
73.02971	1.1
80.91710	1.1
87.00892	1.4
88.36006	1.0
92.20291	1.1
95.04995	1.2
112.40058	1.1
114.14676	1.1
120.99648	1.7
121.02959	2.9
123.00869	1.3
125.02473	2.0
126.69418	1.0
133.05038	2.4
141.00177	2.8
149.02451	39.7
150.03255	15.9
152.01132	1.3
161.02444	1.4
164.04781	10.2
165.05585	17.9
166.06308	2.6
167.07111	2.4
169.01457	4.5
173.10115	8.4
180.04298	1.2
181.08615	1.4
195.06670	17.6
213.07477	1.2
214.01680	1.8
273.00275	1.4
283.09604	2.0
285.06293	2.2
300.99863	1.7
305.10654	10.5
314.11646	22.5
315.12271	1.3
329.13956	100.0
330.14328	7.7
377.16058	40.5
378.16333	2.5
428.43515	1.1
446.04602	1.0
447.11691	1.5
599.20020	3.8
600.21320	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36201	0.2
53.55136	0.2
59.01388	1.6
61.98832	0.9
67.19953	0.2
69.67397	1.4
69.67764	0.4
71.01366	0.3
73.02977	0.3
78.95916	10.4
79.95741	2.9
83.01390	0.2
88.98811	0.3
96.96024	100.0
96.96944	18.7
102.61021	0.2
107.01398	0.5
113.02470	0.2
121.02975	0.3
122.06184	0.2
123.00875	0.3
125.02456	1.2
133.02930	0.3
145.03000	0.3
151.00407	0.5
159.04533	0.2
161.02481	0.9
163.03967	0.3
165.05521	0.2
169.01450	1.8
175.04033	0.9
203.03508	0.7
243.66208	0.2
246.01689	0.4
247.02487	5.2
273.00500	0.5
275.02008	0.6
285.04105	3.3
300.99918	0.8
313.05649	0.3
375.18320	0.4
377.18729	0.3
409.07941	0.7
413.69269	0.3
419.03943	0.4
447.08990	0.6
537.19916	0.4
555.11462	1.4
563.21362	0.3
566.57214	0.3
599.10504	1.8
599.23456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36201	0.2
53.55136	0.2
59.01388	1.6
61.98832	0.9
67.19953	0.2
69.67397	1.4
69.67764	0.4
71.01366	0.3
73.02977	0.3
78.95916	10.4
79.95741	2.9
83.01390	0.2
88.98811	0.3
96.96024	100.0
96.96944	18.7
102.61021	0.2
107.01398	0.5
113.02470	0.2
121.02975	0.3
122.06184	0.2
123.00875	0.3
125.02456	1.2
133.02930	0.3
145.03000	0.3
151.00407	0.5
159.04533	0.2
161.02481	0.9
163.03967	0.3
165.05521	0.2
169.01450	1.8
175.04033	0.9
203.03508	0.7
243.66208	0.2
246.01689	0.4
247.02487	5.2
273.00500	0.5
275.02008	0.6
285.04105	3.3
300.99918	0.8
313.05649	0.3
375.18320	0.4
377.18729	0.3
409.07941	0.7
413.69269	0.3
419.03943	0.4
447.08990	0.6
537.19916	0.4
555.11462	1.4
563.21362	0.3
566.57214	0.3
599.10504	1.8
599.23456	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49715	0.1
59.01388	0.4
61.98825	0.3
63.02400	0.2
65.00321	0.8
69.03468	0.1
69.36919	0.8
71.01386	0.8
73.02977	0.2
79.01902	0.2
79.47662	0.1
81.03490	0.2
83.01396	0.6
95.01391	0.2
96.96014	0.5
97.02976	0.2
101.02457	0.3
107.01403	3.2
111.00900	0.3
113.02473	0.2
114.07478	0.1
121.02933	0.2
123.00900	1.5
123.04478	0.1
124.01679	0.1
125.02455	9.1
126.02763	0.2
133.02962	8.0
134.03262	0.3
136.48492	0.1
136.98830	0.1
139.00359	0.5
140.01143	0.5
141.01968	0.2
143.05060	0.1
145.02966	0.1
149.02454	1.8
151.00381	6.2
162.03264	0.2
163.04018	0.1
165.01935	0.2
168.00696	0.5
169.01442	12.5
169.06537	0.2
170.01801	0.4
171.04501	0.4
173.06125	0.1
175.04010	3.0
176.04387	0.1
177.01979	0.2
181.05098	0.1
185.06029	0.2
189.58350	0.1
190.42282	0.1
193.01355	0.2
195.04463	0.1
195.13931	0.3
197.06161	0.3
198.03223	0.4
199.04021	2.4
200.04385	0.1
201.01949	0.9
211.02464	0.3
213.05585	0.6
215.03503	0.4
215.94371	0.1
217.05089	1.6
223.04016	0.2
224.04785	0.1
229.05063	0.2
237.02400	0.1
239.03558	0.1
239.12920	0.4
240.04298	0.1
241.05211	1.0
242.02211	0.1
242.34088	0.1
243.02962	0.8
244.07805	0.1
255.03099	0.1
256.03781	0.4
257.04520	0.4
267.02930	0.3
271.04333	0.1
284.03290	0.9
285.04062	100.0
286.01135	0.2
286.04395	5.1
313.05673	14.2
314.06058	0.7
401.18042	0.2
447.09283	2.9
448.09662	0.3
464.77603	0.1
599.10455	34.2
600.10742	3.6
600.18323	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	599.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13804	0.4
56.38464	0.5
56.93629	0.5
59.01373	0.8
61.98823	1.1
65.00324	0.7
69.35602	3.6
71.01374	0.6
74.96589	0.4
75.00890	2.1
78.95911	9.1
79.95753	3.1
83.01397	0.5
85.02917	0.6
89.02469	0.6
96.96021	100.0
96.96934	14.5
98.95583	0.4
103.38171	0.4
107.01421	2.8
109.02885	0.5
121.03007	0.7
123.00918	1.0
125.02456	7.5
131.63559	0.6
133.02965	5.2
137.02475	0.5
139.00357	0.7
142.06700	0.9
149.02467	1.1
151.00388	3.8
165.01953	0.6
165.05537	1.2
169.01468	7.0
175.03992	2.6
199.04005	1.7
201.02020	0.7
217.05058	1.2
218.26863	0.5
241.05063	0.7
243.02968	0.7
256.03745	1.2
284.03290	2.4
285.04071	75.3
286.04391	3.1
313.05652	5.1
328.51120	0.5
409.07428	0.4
447.09381	18.4
448.09958	1.1
455.16190	0.5
599.10431	29.3
600.10938	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	599.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84196	0.4
59.01382	1.6
60.31091	0.5
63.02399	1.1
65.00314	0.9
69.03455	0.6
69.29722	1.0
69.30125	3.3
71.01386	2.3
74.11014	0.5
79.01922	0.5
83.01414	0.6
85.02953	1.1
89.02450	0.6
95.01383	0.7
96.96031	4.9
96.96952	1.0
97.02971	0.8
101.02472	0.6
107.01390	6.4
109.02966	0.8
111.00890	0.9
121.02952	0.9
123.00882	3.6
125.02463	26.9
133.02940	5.3
139.00372	1.2
140.01186	0.5
149.02448	2.0
151.00410	7.4
159.10207	0.5
161.02420	0.5
165.01889	0.6
166.02708	1.9
168.00665	1.5
169.01442	33.3
170.01724	0.9
175.04015	2.7
177.01938	0.8
181.05063	2.1
190.02718	1.3
191.03447	0.7
192.04286	0.5
193.01463	0.5
196.90506	0.5
199.04059	2.4
201.01933	1.1
211.02470	1.6
213.05640	0.9
215.03601	0.7
217.01454	1.6
217.05029	1.6
218.02231	1.3
219.03018	0.6
229.05017	0.6
239.23465	0.5
240.04228	0.5
243.02957	1.3
243.41293	0.5
246.01724	3.6
247.02460	12.4
271.04559	0.9
274.01105	1.3
275.01996	0.9
284.03275	5.7
285.04068	79.8
286.04504	3.8
300.99893	0.9
313.05722	8.3
327.04996	0.9
334.23511	0.5
350.00650	0.5
392.05554	0.9
393.05908	1.1
409.07614	2.5
418.48212	0.5
447.09857	0.6
537.19537	1.2
555.11359	6.2
556.11877	0.8
599.10474	100.0
600.10864	11.0
615.11499	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13549	0.2
53.58062	0.2
65.00337	0.7
67.01875	0.2
69.03428	0.2
70.87031	0.4
70.87353	0.2
71.01398	0.7
71.20618	0.2
73.02950	0.2
77.21381	0.2
83.01398	0.8
84.99090	0.2
90.03775	0.2
93.42031	0.2
97.02955	0.2
101.02487	0.3
107.01406	2.8
113.02460	0.2
118.83434	0.2
121.03007	0.2
123.00872	1.2
124.01756	0.3
125.02458	9.0
133.01941	0.4
133.02960	8.0
134.03336	0.2
139.00398	0.6
140.01207	0.3
149.02473	1.7
151.00372	6.4
168.00684	0.5
169.01447	11.1
169.06693	0.2
170.01823	0.3
171.04414	0.2
173.05984	0.3
175.04039	2.7
177.01978	0.2
189.01755	0.2
189.05528	0.3
197.06084	0.4
198.03235	0.4
199.04031	2.8
201.01964	1.0
202.09879	0.2
205.92017	0.2
211.02409	0.4
213.05548	0.6
215.03464	0.6
217.05101	1.7
223.04065	0.4
241.05287	1.0
243.03030	0.8
256.03873	0.4
257.04608	0.4
267.02917	0.2
284.03336	0.6
285.04062	100.0
286.04422	5.0
313.05673	15.4
314.06094	0.6
447.09216	3.2
599.10449	32.9
600.10645	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	598.281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64609	0.6
58.02983	6.3
59.01383	1.9
59.87678	0.6
61.98840	7.2
66.03495	1.1
69.24293	6.2
70.02991	1.1
71.01380	1.3
72.00910	1.2
74.02485	15.1
75.93508	0.6
78.51796	0.7
81.04563	1.0
82.03004	1.7
84.04572	1.3
86.02490	5.9
86.06146	0.7
86.99108	1.7
87.05634	4.1
90.00188	1.1
96.95977	1.0
97.04091	1.8
98.02499	0.6
98.20621	1.1
99.05654	14.8
101.02420	0.7
101.07218	2.1
102.05612	2.1
107.06135	1.7
109.02948	2.0
109.04082	1.7
111.05613	0.9
112.04008	1.6
116.01725	0.9
123.05648	2.3
124.04021	0.8
125.02455	1.0
125.03619	2.0
127.05148	2.5
128.03560	41.9
135.05682	3.8
137.07260	1.3
139.88350	0.6
141.06714	3.4
143.04640	55.0
145.06209	1.7
146.04607	5.0
153.06721	2.6
159.99486	1.3
160.00757	14.5
166.09818	1.9
167.04544	4.0
167.08316	2.9
169.01468	1.7
170.03423	0.9
171.07799	1.3
177.02003	0.8
177.03418	5.0
179.04654	12.2
181.06177	1.3
184.10933	0.8
185.05847	2.7
186.06364	0.6
192.07791	1.1
197.05695	2.2
210.08870	10.4
213.03474	1.0
228.09904	0.9
229.05006	2.2
230.05447	1.2
242.07634	0.8
254.07846	18.0
255.08182	0.6
269.04642	0.7
272.08908	34.9
273.09113	1.2
285.04089	1.0
288.06595	10.9
289.06876	0.9
306.07687	100.0
307.07971	4.0
469.23434	0.7
598.28650	12.7
599.22382	0.6
599.28802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02978	14.1
59.01374	3.5
61.98837	26.6
69.35241	8.9
71.01389	2.8
72.00923	1.4
72.97512	2.2
74.02478	27.0
82.02978	4.0
82.95411	1.7
84.95109	6.1
86.02477	14.4
87.00883	9.8
87.05651	4.5
88.00423	1.3
88.98837	1.3
96.96023	3.0
97.04082	3.6
99.05643	19.7
100.00378	1.4
101.02445	1.3
101.07197	2.8
102.05606	4.1
107.06127	1.7
108.83012	1.3
109.04083	3.6
111.05647	1.7
112.04053	3.1
113.04372	1.6
117.03448	1.1
118.36900	1.2
123.05663	1.4
124.04000	1.4
125.02419	4.1
125.03551	4.3
127.05175	3.9
127.84458	1.4
128.03551	69.2
135.05630	7.0
135.08220	3.0
137.07169	1.4
141.06714	2.5
143.04626	88.7
145.02963	1.5
145.06201	3.4
146.04567	8.4
153.06682	4.9
155.08270	1.1
160.03926	2.0
165.12714	1.4
166.09869	3.7
167.04643	3.5
167.08255	6.1
169.01451	3.0
170.03294	2.1
171.04123	1.9
171.10289	3.0
175.01805	1.2
176.04900	1.6
179.04648	23.3
181.06253	1.5
185.05667	1.9
192.07790	2.4
197.05684	4.1
209.11798	2.3
210.08842	19.5
218.23573	1.3
223.13518	1.7
228.09933	1.9
254.07829	51.2
255.08098	1.8
256.11362	1.8
272.08890	100.0
273.09195	3.1
285.04108	3.4
291.19818	2.2
325.18457	4.8
341.10379	6.3
342.10684	9.2
469.23962	4.2
580.26904	3.5
598.28040	34.7
599.10461	1.8
599.28955	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	596.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.2
60.25404	0.8
61.98837	100.0
63.99273	1.4
68.78462	0.8
71.01376	2.2
71.57559	1.4
72.99761	0.8
73.02965	0.8
75.00870	1.0
78.95924	1.0
83.01420	1.0
85.02951	1.2
88.98821	0.8
89.02463	1.4
96.96022	5.7
96.96961	0.8
98.95601	0.8
101.02428	1.7
107.01408	1.1
115.84772	0.8
117.03452	1.5
119.05049	0.9
123.00899	1.0
125.02448	3.3
133.02975	21.3
133.04013	1.0
135.04573	6.5
145.03003	1.9
151.00368	2.3
161.02463	82.6
162.02811	2.4
169.01434	2.5
179.03519	4.2
269.04446	0.9
285.03952	3.9
286.04422	5.9
287.04678	5.1
288.04950	3.2
393.15759	0.9
435.75613	0.8
533.23962	81.3
534.24268	8.4
582.77277	0.8
596.13910	1.1
597.24115	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1465
Annotation	Okanin 4'-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
54.02975	0.4
54.59313	0.5
56.74824	0.4
57.03457	0.9
59.01383	6.5
60.01701	0.5
61.98834	26.5
63.02397	1.2
65.00330	15.5
66.00653	0.5
69.03442	0.5
69.23831	4.3
71.01386	4.7
72.99362	0.5
73.02957	0.8
74.99117	0.4
75.00905	0.6
78.95921	1.0
83.01389	6.8
85.02966	1.3
87.00880	0.5
88.98835	0.9
89.02465	2.7
91.66049	0.4
93.03477	0.7
95.01343	0.7
96.96020	7.1
96.96995	1.4
98.95602	1.9
101.02451	2.6
103.01894	0.6
107.01401	24.3
107.05007	0.4
109.02961	3.6
110.09547	0.4
111.00845	0.8
112.18875	0.4
113.02432	1.5
117.03496	2.7
119.03500	1.0
119.05022	3.0
121.02950	2.1
123.00899	1.1
123.04533	0.8
125.02457	9.0
131.01396	1.3
133.02954	2.3
134.03728	1.1
135.04535	66.5
136.04883	2.0
137.02444	1.3
139.03957	0.5
145.02959	8.5
147.04543	0.5
149.02458	0.9
151.00378	100.0
152.00717	2.1
161.02452	5.2
161.04562	0.9
161.06013	0.8
162.02809	0.6
162.37755	0.4
163.04013	2.4
165.01942	1.7
169.01445	3.7
175.00385	5.0
177.02014	2.4
179.03452	0.9
193.01430	2.2
201.01833	0.5
202.99872	1.5
213.49055	0.4
217.01445	0.8
240.42970	0.5
255.02888	0.6
265.07312	0.9
269.04456	1.0
271.06122	1.4
273.00360	0.5
285.04056	10.8
286.04352	0.7
287.05621	75.5
288.05917	3.0
297.04105	1.1
300.99869	0.8
307.08243	11.5
308.08514	0.6
311.05475	0.8
323.07794	1.1
339.04953	0.5
373.11786	1.2
433.09256	2.0
449.10934	1.1
459.09381	2.7
501.10056	0.6
507.42703	0.5
532.22540	0.7
533.16492	0.5
565.20154	0.6
595.14539	23.0
595.23828	1.5
595.29114	1.0
596.14935	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	595.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46120	0.4
57.03457	0.8
59.01385	3.4
61.98838	15.3
63.02407	1.2
65.00333	14.9
69.26292	3.8
71.01404	2.0
72.99380	0.5
73.02953	0.9
75.00885	0.6
78.95920	1.4
79.95772	0.5
81.03451	0.7
83.01386	6.1
85.02973	0.8
88.98823	0.9
89.02444	1.2
93.03457	1.0
95.01412	0.5
96.96024	8.7
96.96644	0.5
96.96962	1.1
98.95604	4.6
98.96413	1.0
101.02429	1.0
107.01408	21.2
109.02969	2.7
111.00896	0.8
113.02458	0.8
117.03491	2.0
117.06564	0.4
119.05018	3.1
121.02962	2.2
123.00869	0.7
125.01550	0.6
125.02458	9.5
129.01869	0.5
131.01410	1.4
133.02942	2.7
134.03760	2.1
135.04543	67.1
136.04886	1.5
137.02469	1.3
139.00439	0.5
145.02962	9.1
147.04547	0.6
149.02492	1.0
151.00388	100.0
152.00742	1.7
159.04564	0.5
161.02460	5.5
161.06094	1.1
163.04033	1.8
165.01952	1.8
169.01399	3.0
175.00388	6.2
175.03960	0.6
177.01976	2.9
177.05730	0.5
179.03503	1.0
179.10837	0.5
189.67824	0.5
193.01462	1.9
195.06606	0.5
202.99898	1.9
205.04959	0.7
269.04575	0.9
271.06256	2.8
285.04095	11.4
286.04373	1.1
287.05643	80.3
288.06030	3.3
297.04129	0.8
307.08246	12.2
311.05704	0.8
323.07642	2.0
339.04965	1.1
347.07620	0.5
418.64780	0.4
433.09259	2.7
449.10880	0.9
459.09140	2.5
533.16571	0.6
595.14496	20.3
595.23560	1.2
596.14862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46120	0.4
57.03457	0.8
59.01385	3.4
61.98838	15.3
63.02407	1.2
65.00333	14.9
69.26292	3.8
71.01404	2.0
72.99380	0.5
73.02953	0.9
75.00885	0.6
78.95920	1.4
79.95772	0.5
81.03451	0.7
83.01386	6.1
85.02973	0.8
88.98823	0.9
89.02444	1.2
93.03457	1.0
95.01412	0.5
96.96024	8.7
96.96644	0.5
96.96962	1.1
98.95604	4.6
98.96413	1.0
101.02429	1.0
107.01408	21.2
109.02969	2.7
111.00896	0.8
113.02458	0.8
117.03491	2.0
117.06564	0.4
119.05018	3.1
121.02962	2.2
123.00869	0.7
125.01550	0.6
125.02458	9.5
129.01869	0.5
131.01410	1.4
133.02942	2.7
134.03760	2.1
135.04543	67.1
136.04886	1.5
137.02469	1.3
139.00439	0.5
145.02962	9.1
147.04547	0.6
149.02492	1.0
151.00388	100.0
152.00742	1.7
159.04564	0.5
161.02460	5.5
161.06094	1.1
163.04033	1.8
165.01952	1.8
169.01399	3.0
175.00388	6.2
175.03960	0.6
177.01976	2.9
177.05730	0.5
179.03503	1.0
179.10837	0.5
189.67824	0.5
193.01462	1.9
195.06606	0.5
202.99898	1.9
205.04959	0.7
269.04575	0.9
271.06256	2.8
285.04095	11.4
286.04373	1.1
287.05643	80.3
288.06030	3.3
297.04129	0.8
307.08246	12.2
311.05704	0.8
323.07642	2.0
339.04965	1.1
347.07620	0.5
418.64780	0.4
433.09259	2.7
449.10880	0.9
459.09140	2.5
533.16571	0.6
595.14496	20.3
595.23560	1.2
596.14862	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	594.22
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72971	0.5
57.03456	0.6
59.01385	3.3
61.98837	100.0
65.00343	1.8
69.29855	1.4
69.30263	4.0
71.01400	2.4
83.01401	1.2
85.02972	0.7
89.02451	1.0
93.03492	1.2
96.96027	6.8
96.96965	0.7
98.92040	0.5
101.02458	1.0
107.01395	2.8
109.02969	0.8
111.00888	0.9
113.02448	0.8
117.03472	0.9
119.05035	6.6
125.02470	5.6
133.02969	12.3
133.03908	1.0
134.03471	0.5
135.04541	16.4
137.02559	0.7
137.09613	0.5
141.70447	0.5
145.02960	1.8
149.06114	2.5
151.00372	11.3
161.02469	33.9
161.06071	0.8
165.02043	1.2
168.03047	0.8
169.01477	1.7
177.01935	1.0
177.05583	5.6
179.03516	23.8
180.03993	0.9
195.03041	0.6
202.99937	0.7
203.03596	0.8
221.04561	12.6
222.04948	0.7
225.07748	1.4
243.83662	0.7
251.05600	11.1
269.04697	0.8
270.05115	1.0
271.06146	14.2
271.08850	1.0
281.06677	19.9
282.07126	1.1
285.04053	2.7
286.04492	1.9
287.04904	0.6
300.99799	1.7
323.07712	13.1
337.03619	0.9
338.03915	1.5
341.08792	25.6
342.09207	1.6
371.43454	0.6
411.90814	0.6
449.11160	1.5
499.09747	0.8
500.09207	1.7
531.14960	1.2
531.22437	10.6
579.27893	0.6
594.13580	5.0
595.14673	7.4
595.23706	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08987	0.3
61.98837	100.0
69.33884	2.1
72.88768	0.2
78.19931	0.3
78.95921	0.4
86.62737	0.2
96.96024	4.6
96.96978	0.7
107.01411	0.3
117.03488	0.9
118.03873	0.6
125.02444	0.3
133.02950	1.4
134.03326	0.4
135.04555	0.6
136.04890	0.3
139.04094	0.4
145.02956	2.5
149.02434	0.7
150.02861	0.3
151.00380	0.8
161.02448	2.4
162.02826	0.7
163.04079	0.5
169.01466	0.5
179.03529	0.7
183.02995	0.5
218.05598	0.3
221.04567	0.3
225.05693	0.5
225.07745	0.3
269.04565	5.8
270.04910	5.6
284.03357	0.8
285.04034	4.5
286.04382	4.3
287.04385	0.3
299.99191	0.6
300.99554	0.5
302.00452	0.3
323.07776	1.2
324.08060	0.9
405.43497	0.3
428.79520	0.3
531.22260	2.1
594.13452	9.6
595.13696	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75852	0.1
61.98837	100.0
62.98532	0.2
66.75097	0.2
68.55939	0.1
69.19402	0.7
69.19833	0.7
71.01411	0.2
93.10233	0.1
94.67046	0.2
96.96023	0.5
116.92882	0.1
117.03520	0.3
119.05067	0.3
125.02468	0.2
135.04572	0.2
137.02470	0.2
139.04022	2.1
145.02982	1.1
154.99893	0.2
159.37697	0.1
161.02473	0.3
162.02782	0.2
163.04109	0.4
169.01396	0.2
171.19188	0.1
180.04156	0.2
183.03014	1.9
191.77866	0.2
257.14566	0.1
269.04599	1.1
270.04926	0.9
285.03970	0.2
300.99976	0.2
305.88345	0.2
323.07883	0.3
324.08121	0.2
531.22504	1.2
534.86090	0.1
543.86230	0.2
552.22241	0.1
594.13367	0.8
595.16968	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.274
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.6
69.43530	1.3
69.43940	3.4
71.00903	0.6
71.01387	0.5
74.27264	0.6
78.95914	65.1
85.06804	0.6
95.57143	0.6
96.96019	1.3
96.96969	11.2
98.20628	1.1
103.47672	0.6
109.81013	0.6
121.02947	1.0
126.66700	0.6
150.98051	1.4
152.99609	100.0
153.99957	1.2
157.47186	0.6
171.00673	2.9
187.22321	0.6
198.74481	0.6
223.00165	11.2
241.01231	22.6
259.02277	1.6
277.21750	48.1
278.22086	2.4
287.54645	0.7
315.04898	18.3
324.42450	0.8
333.06058	1.0
530.09503	0.6
593.27368	86.4
594.27710	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	593.28
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98835	10.2
69.49524	12.5
71.01381	7.0
73.02958	1.6
78.95894	1.7
85.02955	3.9
95.01398	1.8
96.95978	2.3
96.99329	4.1
97.02931	3.1
99.00925	2.5
101.02452	2.6
107.80517	1.5
123.04021	1.7
125.02399	3.2
139.00237	1.6
141.01718	62.6
152.45340	1.8
169.01384	2.6
255.05069	1.7
285.04028	5.9
312.38165	1.7
362.18405	1.8
451.25705	12.6
533.24347	4.7
593.27942	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	594.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.54029	1.3
69.54420	4.2
75.20585	0.6
94.23052	0.6
96.95993	1.1
104.79115	0.6
104.98811	0.6
118.53985	0.8
123.00862	1.2
125.02467	1.6
137.02446	1.3
138.03282	0.6
145.98558	0.6
160.48462	0.7
160.58165	0.7
162.03177	1.8
164.01190	4.3
165.01961	1.3
169.01421	0.9
174.03181	0.9
190.02667	0.8
217.01419	1.5
218.02168	1.3
243.06665	1.7
244.94861	0.7
245.00883	2.1
246.01706	4.1
261.07571	1.2
264.12347	2.9
270.73706	0.6
275.65875	0.6
288.12387	3.3
290.14029	16.0
302.14105	0.9
303.11157	1.7
303.14749	4.3
309.12250	1.5
317.01556	0.7
330.13474	1.2
331.14374	1.0
335.13770	2.7
342.13400	2.6
358.13004	1.8
359.13766	1.0
369.12042	1.1
370.13086	3.1
372.14590	1.6
387.13251	61.7
388.13892	10.6
414.12082	1.0
430.15152	1.2
431.12067	2.5
550.19312	11.3
594.18317	100.0
595.18726	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	593.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.6
59.01386	76.1
60.01741	1.0
61.98577	1.0
61.98840	11.2
69.61240	1.7
69.61641	4.0
71.01389	14.8
72.99309	1.7
73.02947	2.6
74.99122	5.1
78.95899	1.5
80.80461	0.9
83.01379	2.2
85.02947	3.8
87.00879	2.2
88.98798	1.1
89.02450	7.3
95.01411	1.1
96.85243	0.9
96.96027	4.8
97.03004	1.3
98.20677	1.8
101.02444	10.7
107.05042	1.0
109.06619	1.2
113.02480	4.4
119.03516	2.2
123.00969	1.2
125.02456	3.0
133.02930	2.0
135.04495	1.6
135.08156	1.9
135.11816	5.4
145.02980	1.4
149.06027	2.6
151.00325	1.9
159.11784	1.6
161.09709	3.6
163.11311	7.8
169.01440	2.2
175.04004	3.2
175.11209	1.1
177.12866	2.0
179.03554	1.3
179.10785	21.0
179.12256	1.7
192.47273	0.8
195.18420	0.9
207.10286	18.4
221.11742	3.4
225.11166	1.3
268.53830	1.1
271.02277	1.0
285.04086	19.5
286.04437	1.9
337.09253	1.3
369.15515	8.2
380.98196	0.9
387.16629	58.9
388.16849	3.4
399.14328	1.5
431.17261	1.1
531.26288	1.1
549.27112	100.0
550.27435	10.0
593.12305	1.4
593.26349	26.8
594.26501	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	593.2641
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01383	3.6
61.98839	4.8
69.03474	0.9
70.88440	0.8
71.01383	6.1
71.57511	1.2
73.02954	1.4
78.24291	0.7
78.95901	1.2
78.98606	4.0
79.95747	29.2
80.96526	49.9
85.02936	2.3
87.00883	1.9
88.98817	1.8
89.02460	0.7
91.97478	0.8
93.58564	0.8
94.98097	12.8
96.96017	2.4
97.02962	1.1
101.02471	2.6
106.98109	2.8
122.97607	4.8
125.02445	3.0
131.58772	0.7
134.97591	3.3
148.99165	4.0
152.98630	5.0
161.04521	0.9
164.98622	8.6
179.00204	1.1
182.99733	0.8
206.99687	3.4
225.00769	15.3
241.00099	1.2
243.01808	1.4
275.76843	0.8
285.04065	2.7
299.04495	2.7
315.04028	1.0
371.06534	1.3
372.11542	0.7
399.09103	0.9
413.11206	1.5
455.15964	2.8
495.18869	1.8
593.26416	100.0
594.26929	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	593.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21349	0.4
59.01383	1.3
61.98837	3.5
63.20008	0.3
67.01894	1.2
70.08089	1.5
71.01382	1.1
73.02974	0.4
76.31569	0.3
78.95914	10.6
79.95729	3.2
88.98807	0.6
89.92597	0.4
91.97142	0.3
92.06701	0.3
96.96024	100.0
96.96943	17.1
111.00887	6.6
111.90189	0.3
117.03463	0.4
125.02475	0.5
133.02962	1.4
145.02988	0.8
151.00475	0.5
152.73370	0.4
161.02428	0.8
163.03998	0.5
165.05574	0.4
177.01938	0.4
178.15630	0.3
179.03493	0.6
201.02014	0.8
202.99852	0.9
269.04431	0.9
272.18176	0.3
281.15536	0.3
284.03506	0.5
285.04071	4.6
293.04568	0.7
299.99081	0.6
300.99890	0.6
311.05518	1.6
337.03552	2.9
338.03949	0.5
341.08807	0.8
389.06723	0.5
431.07883	1.3
473.08432	0.5
491.10123	0.4
499.08917	4.5
533.22473	0.8
593.12952	4.3
593.25507	0.6
594.13562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21349	0.4
59.01383	1.3
61.98837	3.5
63.20008	0.3
67.01894	1.2
70.08089	1.5
71.01382	1.1
73.02974	0.4
76.31569	0.3
78.95914	10.6
79.95729	3.2
88.98807	0.6
89.92597	0.4
91.97142	0.3
92.06701	0.3
96.96024	100.0
96.96943	17.1
111.00887	6.6
111.90189	0.3
117.03463	0.4
125.02475	0.5
133.02962	1.4
145.02988	0.8
151.00475	0.5
152.73370	0.4
161.02428	0.8
163.03998	0.5
165.05574	0.4
177.01938	0.4
178.15630	0.3
179.03493	0.6
201.02014	0.8
202.99852	0.9
269.04431	0.9
272.18176	0.3
281.15536	0.3
284.03506	0.5
285.04071	4.6
293.04568	0.7
299.99081	0.6
300.99890	0.6
311.05518	1.6
337.03552	2.9
338.03949	0.5
341.08807	0.8
389.06723	0.5
431.07883	1.3
473.08432	0.5
491.10123	0.4
499.08917	4.5
533.22473	0.8
593.12952	4.3
593.25507	0.6
594.13562	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.6
58.00608	2.2
59.01387	100.0
61.98840	17.2
63.24391	1.3
67.01894	1.9
69.03446	1.8
69.94077	1.4
71.01391	56.8
72.99330	3.1
73.02938	7.0
78.95920	8.0
79.95770	2.6
83.01405	2.4
85.02959	14.1
87.00889	4.0
88.98801	2.5
89.02457	55.7
94.04143	1.4
95.01392	2.9
96.96024	74.8
96.96949	12.1
97.02995	1.4
98.20760	3.2
99.00900	3.5
101.02463	43.3
111.00904	6.4
113.02470	27.6
119.01421	5.9
119.03517	26.5
119.05039	2.3
121.02985	5.4
125.02460	3.5
131.03563	1.9
133.03024	1.8
137.02431	7.6
143.03503	5.4
143.05040	3.3
145.02922	3.0
149.02509	3.1
149.04596	1.8
159.03021	3.0
160.00023	1.4
161.02417	2.6
161.04604	15.8
161.05956	2.6
169.01471	4.6
175.92918	1.3
179.05653	5.5
187.15326	1.4
251.59462	1.5
269.04501	2.1
285.04071	10.2
299.99158	1.9
370.43915	1.7
371.11383	37.3
372.11707	1.9
417.60233	1.5
533.16528	16.6
534.17682	1.6
593.13440	6.8
593.21936	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	593.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55408	0.6
59.01391	1.5
61.98819	0.8
63.02405	0.8
65.00306	0.6
65.75754	0.6
68.26717	0.7
69.21095	6.7
89.02485	1.1
91.90730	0.7
93.03453	1.2
96.86291	0.7
96.96054	3.0
102.80363	0.8
107.01390	3.7
109.60755	0.7
118.31799	0.8
125.02452	2.8
132.02194	1.0
135.00903	1.9
151.00389	2.8
159.04581	1.3
161.02428	0.7
163.00378	2.7
164.01137	0.8
169.01454	4.3
179.03439	0.7
183.04538	1.2
185.06111	2.0
187.03979	2.7
189.05579	1.7
197.06100	1.1
199.04089	0.9
210.42657	0.6
211.04091	2.0
213.05594	1.8
227.03513	34.7
229.05048	13.0
239.03532	2.3
240.04269	1.0
241.05124	2.1
243.03128	0.9
255.03015	58.2
256.03607	6.7
257.04572	7.6
265.07373	0.9
267.03036	0.9
269.04593	2.4
271.04645	1.6
284.00006	1.5
284.03275	68.1
285.04062	98.2
286.04477	4.9
300.99860	1.7
327.05185	1.9
533.25781	1.3
593.15112	100.0
594.15417	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96844	0.2
54.59724	0.2
59.01155	0.2
59.01388	2.5
59.87761	0.2
61.98835	4.5
62.86267	0.2
65.00327	0.6
71.01386	1.0
72.99283	0.2
73.02978	0.3
75.00888	0.3
77.60370	0.2
78.95919	1.1
79.36411	0.2
82.95431	0.4
83.01385	0.8
83.05059	0.3
84.95095	0.2
85.02963	0.5
88.98827	0.4
89.02441	0.7
93.03452	0.5
96.96017	5.2
96.96933	1.1
101.02474	0.6
107.01385	1.7
113.02468	0.3
117.03484	1.4
119.05038	1.9
121.02922	0.5
123.00891	0.3
125.02434	1.0
132.02188	0.3
133.02960	6.5
135.04570	0.6
137.02480	0.2
145.02966	2.1
149.02446	1.5
151.00389	4.5
161.02371	0.3
163.04030	1.3
169.01445	1.6
175.04008	3.0
177.01996	0.4
179.03520	0.6
179.10811	0.5
185.05983	0.4
185.65442	0.2
191.03503	1.4
192.04228	0.3
197.06082	0.4
199.04005	2.5
201.01921	0.8
212.04706	0.3
213.05589	0.8
215.03548	0.3
217.05057	1.5
225.71765	0.2
235.02545	0.3
241.05089	0.9
243.03003	0.6
256.03790	1.0
257.04535	0.4
267.02890	0.3
269.04538	0.8
284.03256	1.8
285.04062	100.0
286.04407	4.0
287.40424	0.3
299.98987	0.3
307.08478	0.3
387.16620	0.3
429.08118	0.7
447.09338	9.2
448.09445	0.6
514.09662	0.2
549.27167	0.3
593.13049	13.8
593.25958	0.7
594.13800	1.3
594.22278	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1306
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
61.98831	2.0
63.02408	0.7
65.00315	1.1
69.55245	1.4
83.01405	0.6
86.71748	0.2
88.65253	0.2
95.37562	0.2
102.16767	0.2
107.01404	2.2
109.02991	0.5
111.94645	0.2
117.03483	4.0
119.05043	1.8
121.02949	0.5
122.01640	0.2
125.02485	1.0
132.02283	0.3
133.02974	5.6
135.04437	0.3
137.02466	0.3
145.02969	8.2
149.02467	1.6
151.00375	4.0
163.04036	0.8
169.01434	1.3
171.04558	0.4
175.04022	2.8
177.01875	0.4
185.05984	0.4
187.04001	0.3
197.06068	0.5
198.03218	0.3
199.04012	2.2
201.01923	0.9
211.04036	0.3
213.05525	0.5
215.03572	0.3
217.05067	1.4
227.03654	0.4
229.05009	0.4
239.03482	0.4
240.04230	0.3
241.05132	0.9
243.03043	0.5
255.02995	0.3
256.03754	1.3
257.04599	0.5
267.02969	0.4
269.04553	0.4
283.02475	0.2
284.00793	0.2
284.03287	11.8
285.04071	100.0
286.04431	4.8
307.08099	0.3
313.05652	0.4
327.04999	0.4
429.08368	0.5
447.09329	3.8
448.09756	0.3
557.13037	2.0
593.13062	48.8
594.13354	4.9
594.20837	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
61.98833	0.6
63.02404	0.2
65.00321	0.7
69.64291	0.5
69.64706	0.2
71.01382	0.3
78.95914	0.3
83.01398	0.6
89.02452	0.2
96.96029	2.4
96.96983	0.3
98.20595	0.1
101.02485	0.2
105.03468	0.2
107.01389	1.6
109.67579	0.1
117.03460	0.4
119.05064	0.3
121.02956	0.3
125.02530	0.1
132.02246	0.1
133.02963	7.3
143.05116	0.1
145.03024	0.7
149.02477	1.6
151.00386	4.1
169.01469	0.1
169.06598	0.2
171.04507	0.2
175.04036	2.3
175.05515	0.2
185.06049	0.2
197.06090	0.3
198.03223	0.2
199.04022	2.1
201.01904	0.7
211.03908	0.2
213.05632	0.3
215.03467	0.5
217.05072	1.4
223.04100	0.3
226.02808	0.2
229.05080	0.2
239.03403	0.1
241.05121	0.9
243.03035	0.6
256.03760	0.3
257.04630	0.4
267.03015	0.3
284.03275	0.5
285.04068	100.0
286.04419	4.9
301.00003	0.2
328.19662	0.1
347.14896	0.1
429.08115	0.1
447.09235	0.6
519.32483	0.1
593.13068	3.6
594.13538	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2977
Annotation	Yungensin F
Peak:m/z	Relative Intensity
58.17522	0.2
71.41528	0.4
78.95914	2.7
79.95750	2.2
91.17961	0.3
94.92535	0.4
95.21772	0.3
96.96022	100.0
96.96904	3.4
97.96034	0.3
158.26485	0.3
167.21989	0.3
374.28894	0.3
462.56064	0.3
471.34772	4.3
472.35236	0.8
473.35275	0.3
591.29950	31.2
592.30127	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	593.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12882	0.2
59.01385	2.0
61.98830	1.4
63.02398	0.2
65.00334	0.8
69.54526	1.3
71.01382	0.7
73.02946	0.3
74.99079	0.2
78.95901	0.3
80.53910	0.2
82.95427	0.2
83.01376	0.7
85.02930	0.3
89.02444	0.3
96.96006	0.6
97.02983	0.2
100.66248	0.2
101.02454	0.4
105.03472	0.3
107.01398	1.8
109.02965	0.3
113.02448	0.6
116.14393	0.2
117.03463	0.5
119.04996	0.4
120.99666	0.3
125.02415	0.5
132.02213	0.2
133.02962	8.1
134.03285	0.4
135.04547	0.2
145.02969	1.2
147.04497	0.3
149.02432	1.5
151.00372	4.9
163.04033	0.3
163.11270	0.8
169.01463	1.1
171.04576	0.3
175.04018	3.0
177.01805	0.2
179.03482	0.3
179.10764	0.9
185.06079	0.4
197.05940	0.3
198.03201	0.3
199.04045	1.8
201.01968	0.8
211.04059	0.2
212.04709	0.2
213.05530	0.4
215.03514	0.3
217.05040	1.3
223.04059	0.3
229.05058	0.6
241.05032	1.0
243.03073	0.7
244.11743	0.2
257.04663	0.3
284.03482	0.4
285.04059	100.0
286.04395	4.0
300.99713	0.3
316.36029	0.2
387.16602	0.9
399.14471	0.2
429.08414	0.2
431.17236	0.3
447.09354	0.8
533.33197	0.6
549.26990	1.1
566.67706	0.2
593.13080	2.5
593.27100	0.9
594.13110	0.3
594.30255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50959	0.9
55.01882	2.3
57.03440	3.2
59.01387	23.5
61.98836	16.3
66.76653	0.9
69.21613	4.3
69.22038	6.1
69.79510	1.0
71.01390	23.1
72.99310	2.0
73.02955	8.6
75.00870	1.7
78.95906	2.2
83.01385	1.8
83.34874	1.1
85.02952	9.0
87.00906	1.4
87.04540	3.5
89.02456	11.3
95.01426	1.5
96.96017	2.5
97.02948	2.6
99.00935	1.7
99.04481	1.7
101.02461	11.6
106.43338	1.2
113.02460	8.8
119.03523	3.4
119.05009	1.2
123.08192	1.8
125.02449	2.9
133.06583	1.4
133.10266	1.4
135.08223	1.2
135.11812	11.5
136.05328	2.4
138.06862	7.5
139.07655	3.1
143.03508	1.1
149.09679	1.1
151.07637	6.4
152.08441	7.9
153.09222	30.6
159.03033	1.7
159.08180	2.6
161.04556	6.7
161.09721	14.5
163.11346	5.8
169.01401	1.8
175.11343	1.5
179.10796	100.0
180.11084	2.6
190.46822	1.3
192.07498	1.0
193.12300	5.9
203.10783	1.7
205.12355	27.2
209.11954	1.6
221.11792	3.6
223.09787	3.0
223.13412	8.8
277.73495	1.2
298.42120	1.2
325.12955	3.7
334.95679	1.2
385.18973	10.4
515.29657	1.1
531.30450	1.3
547.29242	2.1
553.34680	2.7
591.28046	66.9
592.28027	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	591.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	0.4
71.56957	0.4
78.95911	2.3
79.95748	3.0
88.67944	0.3
94.92535	0.3
96.96023	100.0
96.97009	2.7
112.08147	0.3
118.94223	0.7
141.22476	0.3
266.71057	0.3
471.34848	6.3
472.34961	0.4
473.35410	0.4
569.01300	0.3
591.29987	38.6
592.30536	3.8
593.07892	0.4
613.48737	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.5
57.03452	2.9
58.00596	1.3
59.01384	23.6
61.98828	7.1
70.87489	2.8
71.01387	24.4
72.99312	2.2
73.02950	4.1
73.27606	0.9
74.99113	4.1
79.12989	0.9
83.01395	2.5
83.05029	1.6
85.02952	7.8
87.00888	1.7
87.04505	1.1
89.02451	9.4
93.03495	1.0
95.01382	1.6
96.95985	1.3
97.02976	1.8
99.00913	2.0
100.27589	0.9
101.02449	10.0
102.29661	1.1
105.07066	1.2
111.04513	1.1
113.02460	7.6
113.03133	1.0
119.02277	1.0
119.03522	4.0
120.05753	1.1
123.04631	0.9
123.08182	1.4
125.02414	2.1
125.06104	1.5
133.10242	3.2
135.08212	1.2
135.11816	21.7
136.05339	2.5
138.06888	6.1
139.07681	1.8
143.03458	1.7
146.07428	1.2
151.07649	7.4
152.08441	9.9
152.99611	1.1
153.09225	30.6
159.08139	3.3
161.04558	6.0
161.09740	18.0
163.11264	2.4
165.09132	1.4
177.12936	1.2
179.10788	100.0
180.11113	2.3
203.10760	2.4
205.08670	1.5
205.12340	20.3
206.12672	1.4
209.11960	1.2
221.11963	5.0
223.09865	6.1
223.13397	8.3
224.01981	1.0
240.61540	1.0
265.10895	1.8
291.99475	1.2
325.12750	5.8
346.59695	1.2
367.17569	2.4
385.14774	2.4
385.18924	13.2
482.53705	1.0
531.28333	1.7
547.29175	4.0
591.28210	51.9
592.28510	4.7
609.50336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2618
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
51.02649	0.8
52.00044	0.7
53.75507	0.7
65.90679	0.8
68.81272	0.8
69.42699	6.0
70.22832	0.7
75.42574	0.8
144.30066	0.8
246.73460	0.8
400.43445	0.8
443.22699	1.8
445.19785	1.4
455.22589	1.1
456.23074	1.1
459.21799	3.0
471.25934	2.2
472.22772	1.4
473.23038	1.2
485.19907	0.9
486.19635	1.3
487.24777	3.6
497.23752	4.2
499.21548	3.5
500.22247	12.5
501.22855	0.9
514.23499	1.4
515.24567	100.0
516.24915	9.4
559.23657	4.0
599.35449	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.1
57.03446	3.5
59.01387	33.5
60.99296	4.7
61.98543	2.0
61.98841	29.2
69.46682	4.2
69.47095	9.9
71.01390	32.9
72.99314	3.8
73.02956	11.2
74.59071	1.9
75.00886	2.8
78.95904	9.0
79.95756	2.2
80.62447	1.9
82.95412	4.5
83.01374	5.9
85.02961	19.3
87.00860	4.6
88.98825	19.7
89.02449	5.2
94.98092	1.9
95.01367	2.4
96.96024	53.9
96.96956	12.8
97.02918	2.6
98.19897	3.3
99.00884	6.0
101.02444	29.0
113.02456	14.2
114.33984	1.8
117.03365	2.1
119.01999	2.0
119.05024	4.3
123.00889	6.3
123.04527	4.5
125.02444	18.7
137.02499	2.1
143.03526	3.1
145.02922	5.2
151.00385	2.4
153.05602	4.3
159.02965	3.7
160.01590	2.1
160.03865	2.2
161.04561	17.7
163.03983	5.5
168.00627	1.9
169.01425	27.8
179.10765	5.4
205.12328	3.5
223.13399	5.6
249.14928	2.9
271.04745	2.7
300.99814	4.3
329.13995	3.3
369.19040	7.3
369.23257	2.8
383.95264	2.1
430.07892	1.8
501.19284	17.5
531.24390	100.0
532.25031	6.6
591.22015	4.3
591.29169	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	591.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.11233	0.4
57.03463	1.3
59.01385	100.0
61.98838	8.6
69.03465	0.6
70.11331	0.9
70.11719	1.5
71.01389	12.5
71.03947	0.4
72.21022	0.4
73.02951	3.6
75.00871	0.6
78.95917	0.4
79.01920	0.4
82.95438	1.1
83.01405	1.4
84.02176	3.0
84.96710	0.4
85.02953	6.2
87.00895	0.8
89.02464	1.6
91.44124	0.4
95.01417	1.2
96.96021	3.9
96.96982	1.0
97.02958	0.7
99.00904	1.3
101.02445	6.6
109.02967	0.5
113.02454	5.8
113.03168	0.5
113.34312	0.4
117.03551	0.5
119.03508	0.8
119.05040	0.9
121.02976	0.6
121.18052	0.4
123.00885	1.0
123.04533	0.4
125.02464	1.7
135.04602	1.0
147.04539	0.9
148.33331	0.4
159.03023	1.3
161.04576	8.6
161.05949	0.8
169.01425	2.1
171.10387	0.7
179.03540	1.2
179.10788	0.7
201.05688	0.6
219.06645	8.7
221.11774	0.5
250.68414	0.5
325.09204	0.4
369.09882	2.0
381.34866	0.5
528.22382	0.7
591.21478	0.7
591.28076	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84182	1.2
57.13007	1.3
66.96375	1.2
72.86381	1.5
108.02184	65.5
109.02984	11.0
109.63004	1.2
125.02470	2.0
151.03964	1.4
152.01166	51.2
153.01964	29.3
163.04051	1.5
165.01878	1.5
229.49098	1.6
248.57985	1.4
261.43347	1.3
285.06186	100.0
286.06396	3.7
297.23718	1.5
305.06726	4.5
337.70468	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	591.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.0
55.22725	0.3
57.03460	0.8
57.14562	0.3
59.01387	100.0
61.98837	8.7
69.03496	0.4
69.22208	4.1
71.01391	13.9
73.02953	3.8
78.95930	0.9
81.03460	0.4
82.95441	1.3
83.01427	1.0
83.85378	0.3
84.02177	3.1
85.02965	5.8
87.00874	0.9
89.02480	1.8
93.03507	0.4
95.01393	1.0
96.96025	2.9
96.97008	0.7
97.02930	0.6
98.38023	0.5
99.00911	1.7
101.02455	7.1
113.02459	5.3
117.03477	0.4
119.05100	0.7
123.00922	1.1
125.02490	1.9
135.04579	1.4
143.03580	0.6
143.05078	0.5
145.03017	0.6
147.04593	0.6
156.54366	0.4
159.03047	1.0
161.02557	0.6
161.04575	10.3
161.05850	0.5
169.01494	1.4
171.10419	0.4
175.04076	0.6
179.03590	1.0
179.10846	0.5
189.05730	0.5
201.05589	0.4
201.11446	0.5
205.03471	0.5
210.86479	0.4
219.06639	8.7
219.08708	0.4
221.11993	0.7
301.00156	0.9
312.24530	0.4
369.09912	2.6
406.54327	0.5
493.11197	0.4
528.22443	1.1
531.29138	0.4
591.25409	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	590.3913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.2
57.03455	1.4
58.00602	3.9
59.01384	100.0
61.98830	0.6
66.09410	0.5
70.02976	0.8
71.01388	64.5
71.27621	1.0
72.99311	6.4
73.02954	1.6
83.01395	2.9
83.05042	1.8
85.02958	11.4
85.06606	2.2
85.84437	0.5
87.00887	3.9
88.04028	2.4
89.02453	69.0
90.02813	0.7
95.01392	4.7
95.05012	1.1
96.96014	5.9
98.02518	0.7
98.45939	0.5
101.02453	45.5
108.08217	3.9
111.08195	0.6
113.02462	23.4
113.06144	0.5
114.02822	0.7
115.07668	0.7
116.92850	0.9
119.03516	37.5
124.07711	0.7
125.02464	0.6
126.09254	6.3
131.03511	3.8
136.07759	0.8
138.09286	2.8
143.03517	6.6
146.34766	0.5
149.04607	2.7
154.08687	0.8
156.10315	2.2
161.04538	4.9
166.08737	2.1
179.04140	0.9
179.05626	13.4
184.09770	2.1
223.20615	0.9
225.22249	15.3
226.22566	0.6
250.51195	0.5
253.21758	3.4
255.23328	1.0
265.04333	0.5
268.22672	0.6
270.24463	0.7
271.22791	7.7
296.25977	5.4
296.74728	0.5
312.25415	2.0
324.25259	1.1
362.30545	0.8
380.31635	2.7
382.33215	0.6
392.31668	4.5
410.32776	47.1
411.33185	3.0
416.49783	0.7
428.33829	20.6
428.39722	1.0
429.33975	1.3
514.90918	0.5
551.88702	0.6
590.39117	64.1
591.29895	2.5
591.39441	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	589.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01357	0.5
59.77822	0.5
61.98845	0.6
71.57257	0.7
78.95922	1.3
79.95738	2.8
89.07305	0.5
96.92223	0.5
96.96022	100.0
100.75161	0.5
106.06657	0.5
115.92091	1.1
116.92130	0.7
116.92904	1.8
117.03477	1.2
117.92973	0.5
118.89997	0.8
134.89497	0.9
135.89487	0.5
148.23409	0.4
152.38603	0.4
176.85938	0.4
180.80519	0.5
197.13557	0.4
198.10489	0.5
209.68999	0.5
228.38698	0.4
372.61270	0.4
375.65259	0.4
393.28470	0.5
423.32767	6.7
469.33063	4.2
469.38000	0.4
471.34631	0.5
589.28564	38.8
590.29651	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84293	0.6
59.01363	1.0
71.56892	1.2
71.57246	0.8
72.99316	2.0
75.00877	100.0
80.39920	0.6
96.96017	2.3
249.22021	0.7
251.16682	0.7
277.21982	0.8
589.29163	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.8
61.98841	2.6
62.58434	0.4
65.13068	0.5
67.01870	0.5
68.72001	0.5
69.03429	0.5
69.50430	3.0
69.62446	0.4
71.01389	3.4
73.02972	1.1
78.95879	0.5
79.01902	0.9
84.17699	0.5
85.02947	0.9
89.02460	3.5
94.93784	0.4
95.01395	1.1
97.02983	1.0
99.00903	2.0
101.02455	1.9
102.67271	0.4
107.01402	32.2
111.00906	1.1
113.02483	0.9
123.00900	7.5
124.01657	0.6
125.02462	65.6
126.02799	0.7
127.00422	0.4
131.03560	0.6
139.00398	1.9
139.04095	0.7
140.01196	0.8
141.01964	1.0
151.00369	3.5
168.00667	0.8
169.01440	95.0
170.01787	2.0
191.05634	0.8
230.85747	0.6
310.12234	0.5
343.07098	0.6
396.24390	0.5
587.23401	100.0
588.23785	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	587.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
59.01113	0.7
59.01387	12.3
61.98839	6.6
62.26064	0.5
65.00317	0.6
67.01888	2.2
69.03448	0.7
69.41071	4.0
71.01389	9.7
72.99321	1.3
73.02950	4.3
78.91909	1.0
79.01917	2.8
83.01389	1.1
84.38031	0.6
85.02943	2.2
89.02451	10.0
95.01408	4.3
96.96027	3.0
96.96951	0.8
97.02937	1.2
99.00895	6.2
101.02460	5.0
107.01389	5.0
111.00866	1.5
113.02450	2.3
119.03479	0.6
123.00906	28.8
125.02464	17.6
131.03496	0.8
134.59821	0.5
136.98819	0.7
139.00401	9.5
140.01152	2.4
141.00156	0.9
141.01961	3.9
145.02977	0.7
149.04549	1.1
151.00392	20.6
153.01865	0.9
158.72386	0.7
161.02391	0.7
165.01895	0.9
166.02834	0.6
168.00639	1.8
169.01456	21.4
181.05034	0.5
191.05559	1.0
255.65125	0.5
269.04596	3.9
269.57639	0.6
283.04575	1.8
285.03967	0.9
313.78564	0.6
410.70602	0.6
439.02197	0.6
587.23334	100.0
587.30408	6.5
588.23560	9.0
599.77136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.4
61.98833	1.6
67.01888	0.4
69.03461	1.1
71.01394	0.5
71.04936	0.3
78.95924	0.4
79.01898	0.6
81.03484	0.5
95.01397	0.4
96.96012	0.3
97.02963	1.2
107.01396	10.0
111.00903	0.2
121.02969	1.9
123.00922	1.3
123.01709	0.2
124.01675	0.6
125.02457	53.9
126.02768	0.8
126.26908	0.2
137.02483	0.2
139.00374	0.4
140.01135	0.3
150.03339	0.2
151.00414	0.6
165.05518	0.3
167.03479	0.2
168.00684	0.3
169.01436	100.0
170.01753	2.3
175.04051	0.2
211.02449	0.3
217.08809	0.2
300.63898	0.2
313.05780	0.2
417.08313	2.7
435.09283	1.3
524.22784	0.3
587.10358	2.5
587.25299	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	23.7
61.98831	61.3
63.00843	2.8
69.32235	26.9
71.01385	12.6
72.99292	4.0
73.02946	3.9
76.62717	2.9
78.24242	2.9
78.95909	22.2
82.95419	31.7
85.02921	4.8
87.00912	2.9
89.02432	4.5
93.03470	8.4
95.01405	4.5
96.96019	94.2
96.96992	10.1
101.02438	6.3
107.01426	10.6
107.88798	3.0
109.02922	3.2
111.00905	3.5
117.03455	4.6
119.05006	6.4
121.02962	23.0
122.03725	12.9
122.53406	2.8
123.00912	16.5
123.04090	3.7
125.02462	88.8
132.41762	3.1
134.03743	3.0
135.04541	14.6
137.02499	4.9
139.00414	4.6
145.02956	10.9
147.04582	3.6
149.02458	41.9
150.03256	94.8
151.00337	8.4
151.03580	33.6
152.03754	4.2
155.10825	3.0
160.04112	4.1
161.02405	6.4
163.03996	6.1
164.04764	10.0
165.05591	99.2
166.02725	7.2
166.05937	44.1
167.06168	3.5
168.00673	6.3
169.01440	93.0
170.01790	4.4
170.56471	2.9
179.03471	21.7
179.10886	4.4
180.04305	5.9
181.05025	11.8
195.06651	54.0
196.06972	23.3
196.78247	2.8
197.07254	4.6
201.01994	4.5
211.02394	7.0
229.01390	3.3
244.25224	3.3
250.47556	3.0
271.04434	4.1
283.99545	5.4
285.04001	14.4
299.99304	6.4
300.99893	100.0
302.00284	4.4
315.38934	3.7
328.12885	7.1
329.13596	4.0
330.10651	4.0
341.10251	7.8
342.10712	5.7
344.12289	4.8
345.12939	8.8
346.13339	3.4
359.14963	9.8
360.15158	18.4
361.15698	4.4
371.15152	4.1
372.15268	9.8
417.08408	4.4
435.08643	6.4
435.13623	6.6
508.20663	10.5
523.21576	5.0
534.24780	3.3
537.21191	4.7
538.21735	41.5
539.21796	24.1
586.25256	8.9
587.11450	35.7
587.26923	10.5
587.30530	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	586.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67685	0.3
57.03455	0.7
59.01376	1.7
60.11901	0.4
60.47200	0.5
61.98839	5.5
62.12601	0.4
64.59583	0.3
64.65508	0.4
67.01908	0.5
71.01393	2.3
71.20954	0.7
73.02940	0.5
79.01903	0.7
83.01411	0.4
83.29881	0.3
83.82233	0.3
85.02953	1.0
85.67712	0.4
89.47732	0.4
95.01400	1.1
98.24164	0.4
101.02450	1.1
106.07254	0.4
107.01397	2.4
111.00900	1.5
113.02466	0.9
123.00897	10.4
125.02464	10.0
127.00404	0.5
136.98801	0.9
139.00378	2.9
140.01178	2.0
141.01944	1.1
144.88315	0.4
145.07516	0.4
151.00371	8.0
153.01927	0.5
157.43843	0.4
168.00696	1.9
169.01442	14.7
170.01738	0.5
210.82933	0.4
211.02530	1.2
242.36113	0.4
253.03671	0.6
271.04599	0.6
305.27158	0.5
313.05551	1.2
341.70056	0.4
346.06836	0.5
473.40707	0.5
523.21893	100.0
524.15094	0.7
524.22229	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	585.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.8
64.89087	0.6
70.07934	1.2
70.08328	1.8
71.33459	0.6
75.00875	1.3
78.95913	64.9
91.45749	0.7
96.96974	100.0
97.78951	0.7
106.41748	0.6
113.92643	1.6
166.07410	0.7
194.39342	0.6
264.54761	0.7
307.19052	0.7
319.28366	0.7
487.34344	32.3
488.34497	4.2
489.34909	2.2
585.24628	1.5
585.33801	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	586.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69707	0.5
59.01403	2.1
60.99329	1.7
61.98843	7.5
67.01910	0.6
69.41563	4.1
71.01413	1.7
71.67973	0.4
78.95933	0.7
82.95441	1.8
85.02976	0.7
87.00848	0.5
88.98817	9.5
88.99345	0.6
89.02470	1.0
89.99154	0.7
96.60051	0.4
96.96035	1.4
97.98580	0.5
101.02469	0.6
105.50410	0.4
105.80765	0.5
107.01393	0.6
121.78021	0.5
123.00890	1.2
125.02453	5.0
137.01160	0.5
137.02499	0.5
145.02950	0.8
151.00374	0.9
161.02467	0.8
168.00687	0.5
169.01425	7.0
199.09840	0.8
232.06027	0.5
234.05560	0.5
238.09285	0.5
271.99698	0.6
272.09369	1.9
285.04138	1.0
293.04626	0.6
298.07135	0.5
299.99158	0.7
300.99918	1.2
313.05688	2.4
324.08887	0.8
324.12265	1.0
325.99539	0.8
338.06674	1.0
340.11942	0.8
352.08286	2.0
352.12207	0.7
354.06216	0.9
355.07034	1.4
364.04654	0.9
364.11966	3.9
366.02365	0.7
366.06079	2.6
367.10712	0.7
368.03998	1.3
378.09979	2.0
380.04053	1.0
382.05679	9.7
383.06567	5.1
388.08270	1.2
394.05652	0.9
395.10089	1.5
396.11053	1.2
406.09323	3.0
407.09656	0.6
408.07251	5.4
409.07361	0.7
422.08530	0.6
423.09616	22.1
424.10413	63.6
425.10623	4.5
523.21893	0.7
542.26709	0.6
551.05548	0.5
585.26855	0.7
586.15698	100.0
587.15918	8.6
587.25653	0.8
587.28937	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47536	0.5
71.14023	0.9
71.14352	0.5
75.00874	0.9
78.95914	67.5
96.96975	100.0
99.92606	1.2
113.92632	2.3
115.92078	7.5
116.92870	0.7
154.37500	0.6
166.96193	0.5
175.00919	0.5
175.58441	0.5
249.56725	0.5
319.12131	0.6
333.19473	0.5
366.79132	0.6
394.37869	0.5
487.34354	26.1
488.34802	2.8
489.35001	1.6
584.01208	0.6
585.24683	4.4
585.34222	3.1
599.23364	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	4.8
57.03460	3.3
59.01380	22.1
61.98831	20.5
71.01386	22.8
73.02954	8.9
76.37757	2.6
78.95936	2.3
83.01398	5.7
85.02958	11.6
87.00870	3.9
88.98812	6.4
89.02469	2.7
90.89188	2.5
95.01422	5.0
96.96027	8.3
99.00856	3.8
101.02453	18.9
107.01392	3.3
111.00884	3.7
113.02466	5.3
120.99686	11.2
121.03038	2.5
123.00908	6.0
125.02473	15.4
135.04494	2.4
137.02464	3.2
138.03294	3.3
145.03032	3.9
148.24719	2.6
151.00398	4.9
151.04041	3.4
153.05632	3.0
155.10754	6.5
157.08722	2.7
160.63333	2.6
161.04506	3.1
162.87402	3.1
163.04085	3.0
165.05568	7.8
168.00629	3.0
169.01428	14.5
171.10252	2.6
177.01938	3.4
192.04260	2.5
193.01418	4.9
208.03851	2.8
209.04430	3.0
223.06107	6.1
227.74747	2.8
241.92625	2.9
287.04694	3.2
301.00079	3.1
361.16592	3.2
363.23996	8.9
376.96866	2.8
424.10367	4.1
523.21454	3.3
525.21118	5.2
525.29169	100.0
526.29608	7.1
555.22632	6.7
567.22552	7.5
585.12311	5.2
585.24646	17.0
586.15851	5.2
586.24542	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	585.313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48521	1.6
57.03456	2.8
59.01157	1.7
59.01391	23.2
59.26750	1.9
61.15028	1.7
61.98836	50.2
68.99575	8.6
69.44547	6.7
69.44978	6.6
71.01383	22.5
72.11505	1.4
72.99285	2.0
73.02948	7.3
78.91886	5.7
78.95905	2.4
79.60003	1.5
79.95734	4.5
83.01377	4.2
85.02928	11.1
87.00918	2.4
89.02454	6.4
93.03466	5.6
95.01369	3.6
96.96020	100.0
97.02946	3.8
99.00893	1.9
101.02460	14.8
107.01397	9.3
111.00880	3.4
112.98585	6.7
113.02464	9.6
117.03481	6.2
119.03642	1.6
119.05045	17.4
121.02961	2.3
123.00903	15.7
124.01673	2.1
125.01652	2.8
125.02469	32.3
126.02770	2.9
129.22235	1.7
133.02946	3.0
135.04536	8.9
135.05414	1.8
137.02466	2.5
139.00366	5.1
145.02969	20.8
149.02484	3.1
150.03198	4.5
150.99342	2.5
151.00391	21.9
153.01987	3.3
157.08702	5.9
161.02455	5.2
161.04550	4.9
163.03966	5.5
163.21480	1.6
165.01959	3.3
165.05598	4.5
168.00661	4.8
169.01456	33.1
170.01740	5.9
171.01778	2.7
177.01913	4.2
179.03452	2.1
180.35976	1.8
195.06598	2.4
203.03502	2.0
211.02379	4.6
212.03029	1.9
227.12918	1.8
269.04489	10.8
270.05038	9.9
271.06259	36.8
277.03589	2.6
301.00012	3.4
307.08371	2.6
313.05734	8.2
314.05872	4.1
315.05896	4.0
334.03787	2.0
363.24060	10.8
387.23865	2.4
423.07281	12.8
423.12158	2.5
433.11435	12.9
439.08905	2.3
487.21786	6.3
522.20667	11.8
523.21436	2.9
525.21509	1.7
525.29211	31.8
549.23187	2.3
585.11621	37.0
585.25415	36.4
586.11981	3.4
586.25543	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.6
60.00660	0.4
61.98839	3.0
68.82050	0.4
69.36285	0.4
71.01387	1.4
72.99329	0.7
82.95412	1.2
88.98817	3.6
93.03487	3.4
96.96019	1.0
105.03423	0.6
109.02991	0.4
121.02954	5.0
122.03750	13.1
123.00906	1.0
125.02408	2.3
133.02930	1.1
134.03822	0.6
136.01718	1.0
145.02968	0.7
149.02452	17.8
150.03239	93.2
151.00377	0.6
151.03671	2.2
161.02422	0.6
164.04813	3.7
165.05582	100.0
166.05931	2.6
169.01459	2.2
180.04303	6.5
195.06641	74.8
196.06969	2.1
229.98891	0.5
242.09489	0.7
258.08786	0.7
270.09015	1.7
285.11270	1.6
286.08490	0.7
298.08612	1.5
299.09293	1.5
301.10999	0.7
311.09332	0.7
314.07904	1.8
325.10733	1.2
326.07971	1.0
327.12283	0.7
329.10388	6.2
341.10355	5.4
344.12619	5.8
356.12729	2.4
359.15012	19.1
360.15424	1.3
371.15036	14.3
372.15485	0.8
507.20554	1.2
537.21179	2.0
585.23560	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	585.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71342	0.6
59.01394	2.7
61.98839	4.9
65.05528	0.7
69.27059	2.5
69.27489	3.0
71.01401	1.2
85.02981	1.1
87.00910	0.7
93.03496	4.5
96.96039	2.5
97.03030	0.7
101.02493	0.8
105.03481	0.7
107.01414	0.9
116.93021	0.5
120.97601	0.8
121.02992	5.9
122.03741	15.7
123.00903	1.9
124.01634	0.7
125.02488	4.3
133.02982	1.7
135.04459	0.8
136.01659	1.0
137.02464	1.2
139.00435	0.9
142.56587	0.6
149.02455	37.2
150.03238	97.3
151.00357	1.3
151.03674	2.6
153.05551	0.7
160.01646	0.8
161.02438	1.3
163.04013	1.1
164.04800	6.5
165.05580	100.0
166.05890	3.1
169.01442	5.1
179.07143	0.8
180.04295	7.2
181.04988	0.7
195.06638	71.0
196.07004	2.5
211.02379	0.8
226.06329	0.9
240.04645	0.7
270.08929	2.3
283.09811	1.4
285.04099	1.2
285.11285	1.9
298.08517	1.3
298.11795	0.8
299.09393	1.7
299.12720	1.4
300.99905	1.1
311.09048	0.9
314.07941	1.9
325.10834	0.9
326.07904	1.0
326.11453	0.9
327.12399	4.5
328.13162	7.7
329.10257	6.1
330.10883	1.0
341.10300	7.5
342.10773	0.6
343.15344	1.6
344.12668	7.7
345.13467	1.9
356.12595	2.1
359.10464	1.3
359.15018	23.0
360.15448	1.3
371.15024	17.5
372.15363	0.9
380.36926	0.6
461.15799	0.9
463.17331	1.4
492.17935	1.0
507.20273	10.4
508.20264	0.7
523.21765	1.5
525.29791	0.9
537.21307	56.8
538.21533	2.8
555.22632	1.1
585.11890	1.1
585.24615	10.3
586.25507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.2
61.98840	7.5
64.32254	0.6
65.90994	0.7
71.01389	1.7
71.20205	1.5
78.41428	0.7
89.02486	0.7
95.01443	1.1
96.96040	1.4
101.02431	0.8
101.33174	0.9
107.01416	3.7
111.00895	2.2
123.00910	4.4
124.01687	1.7
125.01540	1.1
125.02467	22.2
127.00397	0.8
136.98792	1.1
137.09705	1.7
139.00423	2.1
140.01129	2.9
151.00372	2.3
151.75049	0.8
155.96162	0.8
165.01904	1.2
165.05554	0.8
167.03542	1.3
168.00659	12.4
169.00006	1.7
169.01448	33.8
170.01738	1.3
171.31490	0.7
185.61876	0.7
190.02704	0.9
211.02499	58.7
212.02829	2.4
231.40282	0.8
241.03586	2.6
271.04611	100.0
272.04980	3.0
274.01285	2.0
275.01547	2.2
289.96097	0.8
300.99570	0.7
331.06750	28.8
336.68628	0.8
410.73456	0.7
521.20306	55.8
522.20496	4.1
570.84271	0.9
584.11304	3.7
585.22656	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.0802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82130	0.2
59.01379	0.5
62.96212	0.2
65.01849	0.2
71.01380	0.5
73.02946	0.3
79.95740	3.0
83.01393	0.4
83.05028	0.6
84.42671	0.2
90.13825	0.3
93.03468	1.0
96.96020	100.0
105.37385	0.2
107.01399	0.5
111.00896	0.4
111.04553	1.5
113.02483	0.4
123.00914	1.5
125.02455	2.9
137.02460	0.4
139.00381	0.3
140.01175	0.3
151.00385	1.2
155.03497	1.1
165.01883	0.3
168.00677	0.4
169.01440	6.4
173.04582	0.9
211.02507	1.0
271.04739	0.4
313.05670	0.5
331.06717	1.8
469.09900	3.4
470.09949	0.3
487.10956	9.7
488.11221	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23340	0.6
59.01395	3.9
61.35703	0.6
61.84805	0.6
61.98837	76.8
67.14277	0.6
71.01374	2.8
71.56953	0.6
85.02940	1.2
89.02470	0.7
95.01402	0.7
96.96025	10.7
101.02452	1.6
107.01401	1.7
109.02959	15.3
111.00902	1.0
113.02470	1.7
118.52396	0.7
121.02967	2.4
123.00892	2.2
124.01717	0.8
125.02474	4.9
135.00909	0.8
137.02429	0.7
139.00435	0.8
139.20914	0.6
150.03148	0.7
151.03999	1.0
152.01202	3.2
153.01958	30.0
161.02426	0.9
161.30981	0.6
163.03995	1.1
169.01439	4.7
171.01971	0.8
195.02997	5.1
205.12338	2.2
211.02469	1.7
255.05086	4.7
271.04578	1.6
272.04898	1.4
273.05188	1.3
297.06107	1.0
300.99927	5.0
302.00327	1.0
408.48157	0.7
521.20300	100.0
522.20740	8.2
584.10291	0.8
584.23779	2.7
585.23865	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77874	1.1
51.91420	1.2
59.01376	1.4
61.98837	5.9
67.01250	1.2
69.74228	6.5
71.01383	1.3
75.20820	1.0
78.95916	62.1
79.95742	1.9
96.96011	55.0
96.96964	100.0
121.02940	2.4
146.59375	1.1
169.01468	1.3
176.28255	1.2
185.65312	1.3
226.54669	1.3
311.93100	1.2
443.73312	1.2
485.32654	1.7
501.32291	40.2
502.32632	2.8
583.24219	2.0
583.32648	28.1
584.32349	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	583.305
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58542	0.7
68.54630	0.6
75.00871	1.4
78.95914	65.3
96.96973	100.0
98.20661	1.8
113.92660	1.6
215.29172	0.8
236.95758	0.8
429.35999	0.8
485.32791	34.6
486.32965	4.1
487.33817	3.7
583.23511	0.8
583.31842	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	583.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46838	0.5
57.03453	0.7
58.00601	1.3
59.01385	56.0
61.98527	0.9
61.98834	9.2
62.11736	0.5
63.99305	0.5
64.55655	0.5
71.01392	9.7
72.99310	2.2
73.02956	2.8
78.95924	1.0
79.95754	0.8
83.01402	1.1
85.02964	2.6
87.00893	1.6
88.98810	0.7
89.02451	5.4
95.01430	0.8
96.96042	1.4
98.19943	1.5
99.00911	0.9
101.02452	4.2
109.06648	0.8
113.02451	2.8
115.97073	0.5
119.03527	1.5
123.00910	1.5
125.02441	2.5
132.47301	0.6
139.00462	0.7
151.00394	1.5
157.82159	0.6
163.11311	4.4
167.14433	0.7
169.01439	3.5
183.13899	6.1
191.14417	1.5
195.13953	6.5
196.02988	0.5
197.15521	1.3
207.10294	12.3
207.13962	0.7
209.15535	1.7
213.14984	28.2
214.15411	1.2
225.11391	0.7
227.16545	4.4
237.15042	1.9
239.50412	0.5
245.81291	0.6
255.16029	2.5
281.35162	0.5
300.99985	0.6
369.15561	4.1
387.16638	10.2
387.21402	0.8
388.17188	0.7
567.10272	0.5
583.31384	100.0
584.31732	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	583.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55721	0.4
59.01376	0.9
61.98822	1.0
69.56988	2.8
71.01390	1.0
81.03453	0.7
85.02970	0.7
88.98807	1.4
89.02442	1.0
93.03490	0.6
93.17410	0.4
95.01411	0.5
95.01963	0.4
96.96055	2.4
97.02927	0.5
101.02435	0.5
101.64905	0.4
109.02950	2.1
113.02444	0.6
117.03500	0.5
121.02859	0.5
123.00869	1.0
124.01659	3.3
125.02465	8.4
135.04535	0.5
136.01694	0.9
137.02460	14.3
138.03273	4.3
139.04039	6.2
145.03035	0.6
147.04562	0.5
149.06044	0.5
150.03256	0.9
151.04028	4.8
152.04834	3.4
153.02008	0.7
153.05528	1.0
162.03262	0.7
163.04042	1.9
164.04805	0.8
165.05580	1.9
166.02739	0.8
167.03633	0.5
167.07176	0.5
169.01425	6.3
175.04012	1.3
176.04788	1.1
177.05623	3.3
179.03555	1.3
180.04301	5.1
181.05086	10.0
182.02098	0.5
184.03781	1.8
189.05515	0.9
191.07097	1.2
194.05881	3.6
195.06638	17.9
196.06810	0.5
197.04495	0.4
205.08626	0.6
206.05855	1.0
207.06589	2.5
208.07390	0.5
209.08211	4.1
211.02470	0.7
211.06113	1.1
221.08133	0.6
223.06224	0.5
237.07497	1.1
253.10921	0.8
300.99896	1.3
343.11029	0.4
361.12949	4.7
361.16910	0.5
375.14529	2.6
391.14001	11.7
401.60800	0.4
406.16351	14.6
406.21692	1.0
407.16721	0.7
421.18719	100.0
422.19098	6.4
493.16879	0.8
499.58740	0.5
583.15564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.5
61.98832	13.0
67.01947	1.3
70.95326	0.9
71.01395	6.6
71.56860	1.6
73.02946	2.5
78.95913	1.6
82.95405	1.4
83.01425	1.5
85.02970	1.9
87.04521	1.5
88.98803	1.5
89.02451	2.1
90.78120	0.9
93.03445	5.4
95.01416	1.5
96.96032	8.5
97.02974	1.2
101.02446	2.7
107.01395	4.2
108.02172	1.4
109.03000	1.9
111.00895	1.5
113.02428	2.4
113.99553	1.1
117.03471	1.0
119.04987	1.3
121.02929	7.4
122.03763	15.9
123.00908	7.3
123.04466	2.1
124.01659	4.4
125.01517	2.2
125.02448	30.0
133.02966	7.1
135.04546	3.1
136.01689	1.8
136.98883	1.1
137.02498	2.8
139.00346	1.3
139.04010	4.5
145.02979	2.0
149.02451	34.3
150.03238	98.6
151.00392	9.2
151.03665	1.7
152.04799	1.7
153.01973	2.1
153.05484	1.1
154.55908	1.3
155.10733	1.3
157.01492	1.1
159.04544	1.3
161.02437	6.0
163.04076	2.5
164.04778	8.1
165.05582	100.0
166.05911	1.2
168.00613	2.6
169.00000	2.1
169.01440	38.7
175.03957	2.9
177.05605	4.4
179.03516	1.8
179.06927	2.0
180.04318	7.0
183.03021	2.4
190.02931	1.5
190.06271	1.5
195.06638	54.2
199.03986	1.5
211.02429	2.3
215.12930	2.2
246.01785	2.2
247.02478	3.7
266.05954	1.1
268.07443	2.5
269.04575	10.4
271.04599	2.4
280.07336	1.3
283.09659	1.7
285.04083	44.3
286.04358	1.6
287.09210	1.4
296.06790	1.7
297.11270	1.2
299.09341	1.4
301.00018	1.4
308.07028	1.3
308.10516	2.2
312.06384	2.9
313.05792	4.5
317.10226	1.6
323.09000	3.2
324.09946	1.9
325.10944	2.1
326.11563	5.2
327.08725	5.8
327.12198	1.5
339.08737	9.3
339.12280	1.5
342.11142	5.6
343.11514	1.4
354.10892	1.3
357.13458	22.1
358.13678	1.2
361.12878	2.8
369.13483	21.7
380.82974	1.2
391.57013	1.2
461.16391	1.5
505.18893	6.5
517.18567	2.0
520.19214	1.3
523.34973	2.8
535.19757	44.5
535.28046	2.3
536.19952	3.9
539.11859	4.3
545.22351	1.3
547.22150	4.7
553.20483	2.1
565.20050	1.2
583.10950	17.7
583.24023	33.2
584.11499	2.1
584.24194	2.4
605.87451	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44013	0.6
54.67807	0.7
56.56379	0.8
57.71313	0.8
59.01385	5.8
61.98833	2.0
69.58241	3.3
69.58646	1.4
71.01395	3.5
73.02968	1.4
75.80527	0.9
83.01421	1.1
85.02947	1.0
85.56849	0.7
89.02470	1.7
93.76218	0.7
96.96024	8.5
98.20629	1.3
101.02475	1.5
101.11310	0.7
108.02213	1.3
111.00833	0.7
113.02529	0.8
117.03489	1.6
119.03531	0.9
119.04996	1.2
123.00916	3.2
123.04545	2.9
125.02433	5.9
132.02162	1.3
133.02980	28.3
134.03758	1.0
135.04565	8.6
137.02446	1.2
138.03253	1.1
139.03973	1.0
145.02988	2.1
150.03232	7.8
153.09271	1.6
161.02467	100.0
162.02933	2.7
163.03979	1.8
165.05588	14.5
168.00705	1.4
169.01413	6.1
174.01686	0.9
177.05600	3.2
178.02768	2.1
179.03525	7.5
181.12379	1.1
193.05006	3.6
205.12344	1.3
211.02525	5.2
219.31877	0.7
225.11307	2.0
231.10222	1.3
235.05971	0.9
249.11096	0.8
257.00925	0.9
258.63766	0.8
263.12924	0.9
265.07358	1.2
267.11981	0.7
271.04626	7.3
274.01181	2.7
275.02020	2.5
291.12418	3.5
300.99985	0.8
307.08203	0.8
309.13412	0.9
313.06210	1.0
329.09985	0.9
331.06342	1.0
368.41663	0.8
369.15842	1.1
521.20416	8.4
547.21912	86.1
548.22162	8.3
552.37067	0.9
583.11066	1.6
583.23352	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44013	0.6
54.67807	0.7
56.56379	0.8
57.71313	0.8
59.01385	5.8
61.98833	2.0
69.58241	3.3
69.58646	1.4
71.01395	3.5
73.02968	1.4
75.80527	0.9
83.01421	1.1
85.02947	1.0
85.56849	0.7
89.02470	1.7
93.76218	0.7
96.96024	8.5
98.20629	1.3
101.02475	1.5
101.11310	0.7
108.02213	1.3
111.00833	0.7
113.02529	0.8
117.03489	1.6
119.03531	0.9
119.04996	1.2
123.00916	3.2
123.04545	2.9
125.02433	5.9
132.02162	1.3
133.02980	28.3
134.03758	1.0
135.04565	8.6
137.02446	1.2
138.03253	1.1
139.03973	1.0
145.02988	2.1
150.03232	7.8
153.09271	1.6
161.02467	100.0
162.02933	2.7
163.03979	1.8
165.05588	14.5
168.00705	1.4
169.01413	6.1
174.01686	0.9
177.05600	3.2
178.02768	2.1
179.03525	7.5
181.12379	1.1
193.05006	3.6
205.12344	1.3
211.02525	5.2
219.31877	0.7
225.11307	2.0
231.10222	1.3
235.05971	0.9
249.11096	0.8
257.00925	0.9
258.63766	0.8
263.12924	0.9
265.07358	1.2
267.11981	0.7
271.04626	7.3
274.01181	2.7
275.02020	2.5
291.12418	3.5
300.99985	0.8
307.08203	0.8
309.13412	0.9
313.06210	1.0
329.09985	0.9
331.06342	1.0
368.41663	0.8
369.15842	1.1
521.20416	8.4
547.21912	86.1
548.22162	8.3
552.37067	0.9
583.11066	1.6
583.23352	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08148	0.7
53.20313	0.6
55.01614	0.6
59.01101	1.2
59.01380	13.1
61.98837	13.6
64.37338	0.7
65.00323	1.0
69.03471	0.9
71.01388	6.5
71.57486	0.8
72.99312	0.9
73.02952	1.8
78.95918	3.3
81.03490	0.7
82.95406	0.8
83.01391	2.0
84.95098	0.8
85.02968	2.1
87.00893	1.1
88.98810	2.0
89.02449	2.2
89.02995	0.7
93.03455	3.1
95.01393	1.6
96.96016	7.9
96.96966	1.2
97.02994	1.1
99.00897	1.1
101.02441	4.2
107.01375	3.9
108.02187	1.0
109.02964	2.9
111.00882	1.6
113.02452	2.3
115.00372	1.1
117.03510	1.3
119.03543	0.7
119.05014	0.9
121.02982	3.0
122.03777	4.4
123.00895	4.8
123.04537	1.8
124.01696	1.4
125.02464	22.7
126.02847	0.9
131.03522	0.6
132.02237	0.7
133.02966	7.9
135.04514	2.5
137.02446	2.6
139.00366	1.1
139.04028	2.5
140.01128	0.8
145.02954	3.4
147.04453	0.9
149.02444	14.2
149.83333	0.6
150.03227	28.9
151.00375	8.1
151.03984	1.4
152.04782	1.3
153.01964	3.2
153.05551	0.9
155.10754	1.1
157.01447	1.3
159.04527	1.1
161.02449	1.9
161.04584	1.2
161.06042	0.8
163.04028	3.0
164.04832	2.6
165.01976	1.0
165.05579	33.3
168.00635	2.8
169.01434	32.3
169.02570	0.4
170.01776	1.4
175.02666	0.9
175.03958	3.2
179.03470	2.0
179.07135	1.7
180.04303	3.2
181.05055	0.7
183.03015	1.8
190.02710	3.1
191.03522	1.3
194.05902	0.9
195.06641	18.1
197.08159	1.0
199.03975	2.5
199.09828	1.1
209.08208	1.5
211.02512	2.7
213.05666	1.2
214.06642	0.7
217.01437	3.0
217.04976	1.2
218.02156	2.8
219.03001	1.0
243.03015	3.7
246.01749	8.6
247.02498	16.0
269.04578	11.0
271.04718	1.6
285.04062	100.0
286.04367	4.6
287.09299	1.4
297.06107	2.5
301.00006	1.4
313.05649	4.9
317.10281	1.7
325.10669	1.0
326.11322	1.1
327.08841	1.6
331.06747	2.0
339.08865	2.6
342.11249	1.0
357.13531	8.2
361.12939	4.9
361.29572	2.5
369.13318	6.3
437.20328	0.7
505.18747	2.8
517.18903	0.8
520.19055	1.9
522.33698	1.0
523.27557	2.1
523.34937	3.6
535.19788	12.4
536.20026	1.3
539.11896	13.0
547.22131	1.9
554.31787	0.7
583.11029	24.2
583.24084	24.5
584.11072	1.6
584.24286	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	582.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35404	1.0
59.01384	4.3
61.98835	11.1
69.40562	1.9
69.40966	6.8
71.01392	1.8
89.02490	1.6
96.96020	17.3
98.20602	2.1
99.26465	1.0
99.63153	1.2
101.02409	1.2
107.01395	2.8
111.00905	2.6
117.41901	1.1
123.00886	3.0
123.04495	1.2
124.01662	2.4
125.02464	23.2
136.98772	1.3
139.00410	3.0
140.01180	2.8
144.78741	1.2
151.00372	2.9
160.39330	1.0
165.01947	1.7
166.02769	2.0
167.03421	1.7
168.00623	12.3
169.01431	41.5
170.01762	1.1
181.05045	2.5
193.01260	1.2
211.02498	70.0
212.02838	3.1
249.40993	1.1
271.04605	100.0
272.04901	3.7
327.40500	1.2
331.06741	24.8
419.16229	1.6
420.03757	2.3
420.16464	2.6
485.20914	1.4
519.18744	69.0
520.18878	5.2
582.09601	2.2
583.22882	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	5.7
61.98844	13.1
71.01385	4.3
71.57397	2.5
71.71260	1.2
78.37445	1.1
96.96025	23.9
107.01387	3.9
111.00887	3.2
113.02412	1.5
123.00882	3.7
123.04523	2.1
123.61259	1.3
125.02456	25.6
136.98802	1.8
137.02374	1.4
139.00369	3.6
140.01126	3.9
149.44812	1.3
151.00351	3.6
161.02591	1.4
166.02661	1.9
167.03346	2.6
168.00623	15.5
169.01445	40.2
181.05133	3.6
183.05452	1.7
211.02493	72.8
212.02788	1.8
244.02094	1.4
271.04596	100.0
272.04938	2.2
300.99762	2.1
306.66904	1.7
331.06772	24.0
398.84616	1.7
418.15573	1.7
419.16733	1.3
420.16312	4.8
492.28146	1.3
519.18744	71.3
520.18842	4.2
524.92249	1.3
582.08783	4.3
583.23969	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	583.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.1
64.00750	0.4
65.00331	1.3
69.03449	0.6
71.01391	3.0
78.59673	0.4
79.01908	0.4
82.32933	0.5
83.01398	0.8
85.03001	0.7
85.49982	0.4
95.01382	0.8
97.02957	0.5
99.00879	0.5
101.02427	1.0
107.01391	8.7
111.00903	0.9
113.02489	1.1
117.03483	8.6
121.02992	0.6
123.00898	4.9
124.01706	0.7
125.02464	34.9
126.02812	0.8
127.00429	0.5
133.02985	0.5
137.02376	0.4
139.00395	2.2
139.04070	0.8
140.01167	1.7
141.01961	0.7
149.02451	6.6
150.03163	0.6
151.00395	13.3
153.01967	0.7
159.04518	1.5
161.02470	3.7
165.01961	0.6
165.04059	0.8
168.00642	2.4
169.01443	55.5
170.01807	1.4
181.06610	0.9
183.04530	0.9
197.06174	0.5
201.05659	1.3
211.02591	2.6
214.52321	0.5
224.04756	0.6
225.05617	3.5
227.03551	1.1
229.51947	0.6
241.03520	0.5
245.78548	0.4
268.03806	1.8
269.04575	90.9
270.04944	3.7
271.04675	1.0
313.05676	37.1
314.06070	1.6
465.61124	0.5
519.71533	0.5
523.34937	0.6
547.22070	2.7
583.10968	100.0
584.11206	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	581.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	1.2
71.01398	6.6
73.02962	2.5
78.98607	4.6
79.95750	9.5
80.96529	63.4
85.02939	1.6
87.00872	1.7
94.98099	12.6
96.96014	2.0
97.02984	1.8
99.48624	1.1
101.02462	2.9
106.98098	1.7
109.07733	1.2
110.92285	1.1
122.97588	5.1
125.02454	3.4
134.97597	4.8
136.99168	2.0
148.99155	4.9
152.98615	6.2
164.98639	9.8
204.65697	1.0
206.99651	1.7
225.00775	15.8
281.24799	2.2
297.80783	1.1
299.04517	3.7
304.81833	1.2
481.33298	1.7
581.30060	100.0
582.30200	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	581.2243
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
57.03449	1.1
59.01385	8.1
61.98832	9.3
65.00309	0.8
67.01901	2.1
67.23013	0.6
69.03454	1.3
71.01390	5.7
71.57735	0.7
72.99316	1.4
73.02949	1.4
78.95905	1.3
79.01902	1.6
79.46775	0.7
81.03466	1.0
83.01380	1.1
83.05029	1.2
84.95125	2.4
85.02956	1.9
87.04527	2.6
88.98825	1.4
89.02483	0.7
93.03458	0.8
95.01400	2.5
96.96024	4.5
96.96947	0.8
97.02978	1.5
99.02004	0.6
99.04514	1.8
101.02463	3.0
107.01405	8.5
108.02193	0.7
108.14657	0.6
109.02955	1.1
111.00894	1.6
113.02428	2.0
113.06100	1.4
117.03535	0.7
119.05049	1.0
121.02963	1.1
123.00898	26.2
123.04543	0.7
124.01683	1.7
125.02460	35.6
131.02461	0.6
135.04529	0.9
136.98802	0.7
137.02455	1.3
138.01958	1.9
139.00386	6.6
139.04021	1.3
140.01147	2.0
141.01945	3.1
145.02943	1.5
149.02472	0.7
151.00385	13.5
151.03908	0.7
153.01923	1.1
155.74860	0.6
158.26816	0.6
160.04063	1.9
163.04074	1.4
165.01906	1.1
167.03645	0.9
168.00679	4.4
169.01439	68.7
170.01785	1.9
179.03529	1.0
181.01465	0.8
183.03026	1.6
187.14943	1.0
193.01398	1.4
211.02472	6.9
225.07643	0.6
231.13873	1.0
249.14890	1.9
253.03447	1.6
267.16028	3.6
271.04727	0.9
275.70215	0.6
281.18137	0.7
285.03894	1.5
309.17078	1.9
313.05734	2.1
331.06580	1.3
419.17194	1.7
521.19952	1.4
581.22388	100.0
582.22827	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	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28314	0.2
59.01382	1.3
61.98843	1.2
62.39783	0.2
67.01925	0.2
71.01382	1.3
71.57421	0.3
72.99303	0.2
73.02950	0.4
75.00877	0.2
79.95724	0.2
83.01393	0.6
85.02969	0.5
89.02435	0.3
93.03470	1.5
96.96027	1.9
97.02969	0.4
101.02439	0.8
107.01376	0.3
107.05069	0.2
108.02175	0.2
109.02939	0.2
111.00912	0.2
113.02432	0.6
119.05035	0.6
120.05830	0.4
121.02979	1.7
122.03752	5.1
123.00890	0.9
123.04501	0.5
124.01682	0.9
125.02467	2.1
133.02979	0.6
133.10234	0.6
133.86798	0.2
134.03719	0.5
135.04565	0.3
135.11838	1.3
136.01692	0.8
136.98994	0.2
137.02443	0.5
139.00369	0.3
139.04024	0.3
145.02921	0.6
146.07393	0.2
149.02483	2.3
150.03239	45.0
151.00417	0.3
151.03996	1.4
151.38103	0.2
153.05563	0.2
159.08177	0.9
161.02449	0.3
161.09740	4.0
163.04018	0.5
165.05582	100.0
166.05914	2.5
168.00710	0.4
169.01433	2.5
175.04002	0.2
179.03714	0.3
179.10786	3.2
180.04292	1.1
189.02098	0.2
195.06657	1.1
201.05643	0.3
203.10849	0.4
204.03256	0.2
205.05090	0.3
205.08752	0.4
211.02490	0.3
213.07703	10.4
214.08209	0.2
217.01465	0.4
223.09787	0.3
229.01611	0.3
229.05156	0.5
235.06056	0.2
245.00812	0.5
247.09795	0.3
265.10892	0.5
271.04770	0.4
273.00351	1.2
285.04346	0.3
289.10843	0.3
300.99896	0.5
306.72495	0.2
307.11929	0.5
323.15253	0.4
367.13870	0.9
501.34787	0.2
581.22601	7.5
582.22736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0556
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05399	1.2
59.01387	1.5
59.22302	1.1
71.01384	1.4
71.55656	1.2
71.56070	1.4
85.02953	2.0
87.00874	2.2
96.96017	1.9
107.01389	4.0
111.61244	1.3
113.02460	2.1
123.00896	2.8
125.02465	59.2
133.01469	1.4
139.00397	2.1
140.01131	1.3
151.00391	3.9
168.00655	5.0
169.01445	83.9
170.01855	2.5
193.01402	2.2
211.02533	11.6
241.03500	1.4
244.23033	1.5
253.03748	1.3
271.04623	11.5
313.05545	6.6
331.06882	8.0
483.07849	100.0
484.08084	6.7
494.51849	1.3
558.98657	1.5
589.81647	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16188	0.5
52.57307	0.5
59.01385	100.0
60.01726	1.0
60.11792	0.6
71.01389	0.7
78.28514	0.5
84.25050	0.5
85.65904	0.5
96.96046	1.2
116.92900	2.2
121.02968	1.5
125.02440	0.5
137.02515	0.9
145.02989	0.7
147.04590	0.7
150.03262	1.0
151.04066	0.7
163.04097	1.6
165.02036	0.6
165.05612	1.9
169.01422	1.0
175.04018	3.1
176.04739	0.7
180.04373	1.4
189.05632	1.3
190.06406	3.8
191.07120	2.9
193.01546	0.7
193.05080	1.7
194.05884	1.5
195.06671	1.5
205.08665	3.3
207.06683	1.7
208.03874	0.7
208.07445	3.2
223.06163	2.1
253.08743	0.6
255.10332	0.9
269.08240	8.5
281.08389	1.1
283.09805	2.8
295.09671	0.6
296.10718	0.5
298.12247	0.8
299.09262	5.5
311.09274	6.4
314.11627	13.6
315.12073	0.8
325.10898	1.6
326.11591	7.4
329.13968	47.9
330.14395	2.0
341.13950	27.1
342.14240	1.1
389.16068	18.5
390.16565	1.4
419.17310	0.8
555.26306	0.6
606.90869	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50510	0.4
69.03465	0.9
71.56243	0.3
78.95945	0.4
79.95745	2.6
95.01398	0.4
96.96024	100.0
97.02959	0.6
99.61259	0.3
100.12372	0.3
105.98065	0.3
107.01425	1.2
109.78955	0.3
113.02484	0.3
114.78516	0.4
116.43421	0.3
117.77772	0.3
125.02465	29.9
126.02830	0.6
137.10590	0.3
169.01442	54.0
170.01781	1.0
186.64969	0.3
211.02463	0.7
216.75726	0.3
234.03210	0.3
271.04654	0.9
290.95688	0.3
301.00162	0.3
313.05618	1.6
331.06708	1.2
483.07837	18.6
484.08392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01359	0.2
69.73606	0.8
71.01389	0.3
79.95747	2.7
91.23253	0.2
96.36159	0.2
96.96022	100.0
97.95966	0.3
98.20597	0.2
103.58636	0.2
107.01405	0.2
109.74033	0.2
112.44404	0.2
123.00912	0.4
125.02457	2.3
130.90320	0.2
139.00407	0.2
140.06886	0.2
151.00436	0.3
168.00645	0.4
169.01448	3.6
193.01443	0.5
211.02502	1.4
271.04642	2.1
301.00070	0.2
313.05716	0.6
331.06857	0.4
419.17099	0.2
439.08920	0.5
483.07813	7.9
484.08408	0.5
519.35901	0.2
581.16742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01409	0.4
71.56674	0.4
78.95940	0.3
79.95752	2.7
85.02876	0.3
96.96021	100.0
98.95616	0.3
107.01395	0.4
118.56373	0.2
123.00920	0.5
125.01555	0.3
125.02464	5.2
127.54433	0.2
137.02339	0.3
139.00385	0.2
140.01192	0.4
151.00360	0.6
162.93803	0.2
168.00629	0.6
169.01448	8.1
170.01741	0.3
193.01396	0.5
193.96771	0.3
211.02501	1.4
271.04626	1.1
300.99860	0.4
313.05673	2.0
331.06625	0.5
338.42194	0.2
431.62256	0.3
472.38431	0.2
483.07797	15.4
484.08121	0.8
581.04596	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77573	0.2
71.01389	0.2
79.95749	3.1
80.20010	0.2
96.96020	100.0
98.95625	0.4
107.01347	0.2
123.00977	0.3
125.02459	3.0
139.00443	0.3
151.00349	0.3
168.00589	0.3
169.01428	5.4
193.01437	0.3
211.02469	1.7
230.16217	0.2
271.04681	1.0
282.00693	0.2
293.61337	0.2
300.99850	0.3
308.33380	0.2
313.05737	0.8
331.06726	0.3
423.05682	0.4
436.56958	0.2
444.07913	0.2
479.03671	0.2
483.07822	8.7
484.08109	0.6
511.62610	0.2
586.07086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33746	0.2
50.56128	0.2
51.93582	0.2
53.40322	0.2
54.40032	0.2
56.84810	0.2
59.01383	3.9
61.98835	100.0
64.21532	0.2
69.58942	0.7
69.59357	0.7
71.01416	0.3
72.10678	0.2
83.01415	0.2
83.04984	0.2
83.38662	0.2
96.96039	0.9
111.47452	0.2
117.03465	0.2
125.02452	0.4
127.34032	0.2
127.48204	0.2
133.81079	0.2
141.27908	0.2
145.03018	0.6
145.87045	0.2
147.04526	0.3
169.01476	0.6
459.48438	0.2
517.24561	0.3
519.33453	0.3
520.33881	0.6
581.24915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15430	2.2
57.03435	2.6
59.01383	24.5
61.98836	90.0
69.22926	8.0
69.23344	18.0
71.01382	11.6
72.83305	2.7
73.05928	2.4
78.95895	4.1
83.01404	2.4
85.02924	4.9
88.98819	12.8
89.02451	5.6
96.96021	90.3
97.02954	2.6
98.19860	5.3
101.02458	8.6
118.03526	2.7
119.05029	8.4
121.02972	100.0
125.02415	8.6
145.02954	4.3
147.04399	2.7
149.09698	2.7
161.04584	3.9
163.03998	6.3
169.01485	3.4
209.11774	4.3
211.13364	9.3
215.62091	2.5
284.03217	12.1
285.03915	32.4
286.04245	32.2
287.04535	17.6
421.20816	3.2
468.20950	2.8
531.40503	2.6
543.24475	22.0
579.13959	48.1
579.24146	39.1
580.23724	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	579.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04406	0.2
55.27957	0.3
59.01388	4.1
60.07613	0.3
61.98835	3.7
70.29919	1.0
71.01389	1.0
73.02949	0.4
76.88996	0.3
78.95916	16.7
79.95748	3.1
87.76447	0.2
96.96025	100.0
96.96953	27.1
101.02451	0.2
113.02496	0.3
119.03548	0.3
141.17857	0.3
190.00377	0.3
197.38286	0.3
245.18053	0.2
248.23399	0.2
269.81915	0.3
357.17136	0.4
516.25403	0.5
519.21130	0.6
579.23297	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2089
Annotation	(+)-Syringaresinol O-beta-D-glucoside
Peak:m/z	Relative Intensity
50.92060	0.5
54.58111	0.5
59.01371	0.5
66.42620	0.5
71.01393	1.1
74.24741	0.5
74.62108	0.5
76.66765	0.5
95.01424	0.7
96.96021	2.0
98.20749	1.0
101.55923	0.5
109.02953	1.8
111.00921	0.6
113.02480	0.6
123.00883	2.2
125.02538	1.2
131.05043	0.7
137.02455	10.0
139.03993	0.7
145.02930	0.7
149.02423	1.3
151.00369	17.0
151.04042	1.6
152.01094	1.8
152.04803	2.8
153.02043	0.8
161.04530	0.8
163.03961	0.8
164.04773	0.8
165.01924	1.1
166.02722	57.0
167.03503	3.7
169.01418	0.9
175.04012	1.1
177.01950	3.8
179.03665	0.7
179.07123	0.6
181.05081	69.5
182.05443	2.4
184.03758	0.9
184.44965	0.5
190.06367	1.0
191.03413	0.6
192.04279	0.6
193.05133	1.1
205.05020	1.0
205.08707	0.9
207.06697	1.2
209.04549	0.7
209.73077	0.5
213.20612	0.6
219.06694	0.5
246.75182	0.6
285.04080	0.9
359.11322	1.6
371.15024	0.6
387.10822	14.2
387.15491	0.7
388.11148	1.2
402.13138	6.9
417.15564	100.0
418.15891	8.9
440.44406	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74709	0.2
57.03455	0.4
59.01387	3.0
61.98839	6.4
63.02406	2.3
65.00329	8.7
65.74670	0.2
68.99853	0.4
69.53075	1.8
71.01389	1.2
73.02951	0.5
81.03461	0.3
83.01395	6.2
85.02971	0.6
89.02473	0.4
93.03473	5.9
93.04028	0.5
95.01392	0.4
96.96030	1.1
97.02985	0.3
99.36132	0.2
101.02467	0.8
107.01405	16.2
111.00945	0.4
112.98520	0.4
113.02451	0.4
117.03481	2.8
119.05038	34.5
120.05370	0.6
121.02982	1.1
123.00861	1.7
124.81405	0.3
125.02466	6.6
126.02768	0.4
131.01407	0.8
133.06578	0.5
135.00925	0.6
135.04594	0.4
136.01694	0.3
137.02496	0.8
139.00395	0.4
143.05023	1.0
145.02969	13.1
146.03342	0.4
149.02455	0.9
151.00388	49.3
152.00708	1.4
161.02530	0.3
161.06082	1.9
163.04039	2.0
164.01189	0.3
165.01950	3.3
169.01457	3.8
170.01802	0.6
175.00394	3.5
177.01956	6.0
179.03571	0.5
185.06035	1.6
187.04034	2.7
189.01929	0.3
189.05661	0.2
193.01422	1.4
203.07173	0.4
205.01485	0.3
205.05096	1.1
205.51447	0.3
222.52298	0.3
227.07133	2.2
229.05080	0.6
265.07196	1.9
269.04617	1.0
271.06146	100.0
272.06464	4.4
285.07687	0.6
295.06216	3.2
307.08267	13.1
308.08661	0.5
313.07254	2.2
357.26550	0.4
381.63864	0.3
413.72830	0.3
418.09479	0.3
433.11545	0.4
459.09445	0.7
499.32391	0.5
515.24969	1.9
516.25330	7.4
517.25763	0.3
579.14294	7.0
579.30151	1.3
580.15515	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43446	0.3
59.01376	1.3
63.02425	0.6
65.00334	0.4
69.32044	2.9
76.67856	0.3
88.68501	0.3
89.02425	0.4
95.01357	0.3
96.96005	0.5
98.19859	0.3
107.01400	1.0
125.02462	0.6
133.02971	2.6
149.02454	0.7
151.00417	2.5
153.01950	0.6
169.01472	0.8
171.04552	0.4
175.04036	1.5
198.03062	0.4
199.04015	1.3
212.04857	0.4
213.05644	0.5
215.03438	0.5
217.05095	1.1
223.04004	0.4
225.05467	0.4
227.03511	0.5
241.05002	0.6
243.03012	0.5
255.02994	4.8
256.03781	2.1
283.02524	1.5
284.03287	36.4
285.04068	96.3
286.04395	4.5
295.49149	0.3
327.05194	1.5
417.08224	4.2
418.09015	0.5
447.09354	100.0
448.09698	6.4
519.24384	1.4
535.11694	0.4
579.13654	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03146	0.3
58.56854	0.3
59.01382	1.6
61.98842	3.0
63.02409	1.9
65.00331	7.6
68.99834	0.3
69.38751	2.1
69.39153	0.6
71.01393	0.8
73.02951	0.4
73.72340	0.3
79.01884	0.5
83.01394	5.9
85.02987	0.3
93.03476	5.2
96.96005	0.6
98.20589	0.6
99.20094	0.3
101.02468	0.5
107.01400	14.3
109.02966	0.4
116.61119	0.3
117.03469	3.3
119.05040	31.3
120.05352	0.7
121.03001	0.8
123.00910	0.9
125.02457	4.9
131.01364	1.1
133.06557	0.3
135.04538	0.5
137.02438	0.8
139.00369	0.4
143.05025	1.0
145.02962	12.1
146.03322	0.4
149.02467	0.9
151.00383	49.7
152.00729	1.1
159.49261	0.3
161.06081	2.0
163.04036	1.8
164.01247	0.5
165.01956	2.6
169.01450	2.2
175.00374	3.5
177.01953	4.5
179.03545	0.6
185.06039	1.4
187.04039	1.9
193.01439	1.2
205.05042	1.1
227.07164	2.7
229.05078	0.5
248.78809	0.4
265.07214	2.0
269.04593	2.5
271.06137	100.0
272.06503	3.7
295.06100	3.8
307.08252	13.3
308.08499	0.6
313.07355	1.9
337.07492	0.3
433.11459	0.5
459.09326	0.7
510.90076	0.3
515.24963	0.8
516.25073	2.3
579.14673	6.6
579.30151	0.8
580.15808	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13963	0.4
59.01389	21.6
61.98832	1.5
71.01384	1.0
71.57666	0.5
78.95913	21.1
78.98565	0.5
79.38467	0.4
79.95749	1.2
80.96087	0.5
80.96532	6.5
81.29560	0.4
82.95425	0.5
87.36669	0.3
94.98102	1.0
96.79954	0.4
96.96965	0.4
124.93274	0.4
125.27130	0.4
139.02858	0.4
142.59016	0.4
149.25252	0.4
152.98544	0.7
152.99617	2.1
164.98520	0.4
168.04326	3.7
224.06941	8.7
225.00743	1.0
242.08168	2.3
263.14490	0.4
279.23318	100.0
280.23691	4.4
328.29663	0.4
336.84003	0.4
338.12866	0.4
349.22476	0.4
361.33344	0.4
504.31036	59.6
505.31207	4.8
578.27228	9.9
579.27393	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	14.3
62.57716	0.3
65.78634	0.3
66.25705	0.3
69.27998	0.6
69.28405	2.3
71.01413	0.9
78.95927	5.2
78.98608	0.5
79.95745	0.8
80.96528	6.1
94.98103	1.2
98.20654	0.6
98.79002	0.3
101.02467	0.3
107.54949	0.3
122.97607	0.6
130.39996	0.2
134.97696	0.4
152.98521	0.3
152.99606	1.3
164.98630	0.6
168.04340	1.3
195.34525	0.3
224.06970	0.9
225.00729	0.8
242.08003	2.8
279.23322	100.0
280.23672	5.0
304.76923	0.3
477.94598	0.3
504.31018	27.2
505.31259	1.8
578.27234	10.1
579.26752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.8
61.98832	1.8
65.40067	0.3
69.88134	0.3
70.08520	0.3
75.81680	0.3
75.82188	0.3
78.13488	0.3
78.95914	100.0
96.96043	0.4
96.96976	8.4
98.20685	0.7
107.37344	0.3
122.98552	1.0
127.11256	0.6
152.99608	15.0
167.14394	1.7
168.13998	1.4
171.00659	18.0
179.52620	0.3
185.92682	0.4
194.05876	0.9
211.13370	2.0
214.04898	0.4
229.14447	1.1
238.04893	0.4
241.18149	1.4
268.09592	3.3
295.19293	0.4
312.12140	0.4
366.16821	1.1
480.24020	1.0
488.31033	0.4
578.31036	64.5
579.31281	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	578.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68439	0.7
57.07002	0.8
59.01388	9.1
61.98838	100.0
65.11955	0.7
69.61403	4.7
71.01402	2.2
83.01451	1.1
85.02970	0.7
95.01427	1.0
96.96053	2.5
97.02988	0.8
97.71751	0.7
98.20630	1.1
101.02440	1.0
105.67710	0.8
107.01421	1.1
111.00930	1.6
113.02453	0.9
119.05051	2.1
123.00888	6.1
125.02470	7.9
135.04483	0.7
138.02042	1.4
139.00417	3.2
140.01186	1.5
141.01958	1.6
141.41232	0.7
145.03009	2.5
151.00410	7.2
151.03976	1.0
163.04102	0.7
168.00609	1.7
169.01447	8.9
174.25606	0.7
190.05455	0.9
227.03624	0.7
253.98959	0.8
269.04672	2.0
270.04980	3.0
271.06213	2.8
352.52164	0.8
352.57187	0.7
494.66370	0.8
515.24951	57.7
516.25122	4.1
568.92242	0.8
578.13727	1.9
578.23315	0.9
579.21240	1.5
579.31287	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.2461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63567	0.8
57.03441	1.2
59.01148	0.9
59.01390	10.6
61.98542	1.7
61.98838	32.6
67.94157	0.8
69.41521	6.4
71.01377	3.3
76.59989	1.0
77.52876	1.0
83.01395	1.1
85.02946	1.8
87.00880	1.1
95.01421	1.5
101.02460	1.2
107.01387	3.2
111.00897	1.8
113.02431	1.3
119.05025	2.0
123.00906	12.0
125.02462	13.3
139.00351	4.2
140.01175	1.9
141.01932	1.2
145.03014	1.5
151.00397	11.0
153.01950	0.9
163.03973	1.0
168.00664	3.4
169.01447	18.2
202.14783	0.9
259.06158	1.3
269.04474	3.7
270.05103	0.9
271.06210	4.3
291.01547	0.8
309.54709	0.9
358.38727	1.0
515.25012	100.0
516.25482	6.3
518.32050	1.6
579.26654	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	578.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.9
59.01390	13.0
60.01699	1.2
61.98835	85.2
63.02399	2.4
65.00322	6.6
68.84570	1.2
70.31405	3.3
71.01375	3.0
73.02934	1.6
83.01395	6.4
85.02962	2.0
86.61568	1.0
93.03480	4.9
93.15383	1.0
95.01401	2.1
96.96021	1.6
98.20612	1.1
99.90744	1.0
101.02449	3.3
107.01411	12.8
111.00900	2.1
113.02474	1.8
117.03467	2.1
119.05034	28.6
123.00894	12.2
125.02473	16.5
137.02451	1.5
138.01958	1.0
139.00336	4.8
140.01157	2.0
145.02963	11.4
149.02425	1.3
151.00381	51.8
161.06094	1.7
163.03999	3.1
165.01909	2.9
168.00630	3.1
169.01453	14.7
175.00331	3.7
177.01894	5.0
185.06041	1.2
187.04001	2.4
205.01456	1.4
205.05022	1.3
211.02505	1.6
227.07021	1.6
231.18494	1.0
252.06789	1.0
253.98891	2.3
265.07190	2.0
269.04510	3.9
270.04883	2.7
271.06134	85.0
295.06064	3.8
307.08252	11.6
313.07233	1.3
438.54376	1.3
515.24976	100.0
516.25500	5.7
579.14252	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	578.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91982	0.3
55.01882	0.3
59.01382	2.3
61.98837	100.0
71.01387	0.6
107.01360	0.6
109.63333	0.3
123.00919	0.9
125.02482	1.3
133.02959	1.1
139.00418	0.6
147.04543	1.5
148.04871	0.7
151.00400	1.2
160.68825	0.4
168.00757	0.5
169.01404	1.8
199.03960	0.4
202.28749	0.4
213.05719	0.7
285.00967	0.7
285.04050	8.7
286.04416	6.4
287.04675	0.5
446.00214	0.4
515.24969	11.5
516.25507	1.2
578.13812	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	578.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23207	0.2
59.01382	2.2
61.98837	100.0
69.50373	1.4
71.01410	0.5
78.95953	0.3
85.02952	0.3
96.96040	0.5
98.19940	0.5
107.01434	0.3
107.96126	0.2
110.32681	0.3
119.05020	0.2
123.00977	0.3
125.02482	0.8
137.02495	0.2
145.03009	0.4
162.07796	0.2
163.04095	0.4
167.63048	0.2
169.01453	0.9
171.28931	0.2
269.04712	0.3
301.00119	0.3
306.37985	0.2
328.20462	0.2
365.77087	0.2
416.22247	0.3
515.24939	2.1
520.32941	0.3
578.29785	0.2
579.20667	0.4
584.55353	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.3
57.03456	3.5
57.12971	1.5
59.01388	49.8
61.98842	66.8
62.45481	1.4
66.50654	1.2
71.01392	28.7
72.99320	1.9
73.02969	10.0
77.85848	1.3
78.95882	3.2
79.05524	1.2
82.59902	1.3
83.01406	5.3
85.02961	14.9
87.00874	2.4
89.02454	5.8
96.96025	1.9
99.00883	2.6
101.02459	20.2
113.02464	13.1
119.03493	1.9
123.08208	1.7
125.02454	3.1
133.10262	2.0
135.11830	25.0
143.03542	1.8
159.03081	2.2
161.04585	12.7
161.09747	3.4
169.01492	2.1
179.10806	100.0
180.11098	2.5
209.15520	4.8
223.09792	2.2
245.23517	1.3
269.04541	2.4
285.04044	2.7
299.23529	1.3
300.99994	1.7
314.12173	1.4
371.20776	23.7
449.00787	1.4
478.30389	1.4
517.33624	16.6
533.31055	2.0
577.30280	43.9
578.30786	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	577.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01361	0.7
61.98824	0.5
63.31738	0.4
63.96236	1.3
69.03458	0.5
69.47502	3.0
71.01388	7.9
72.99302	0.5
73.02936	1.9
78.98604	5.9
79.95741	11.6
80.96525	72.0
81.03476	0.7
85.02956	3.2
85.98781	0.4
87.00880	2.8
94.98097	15.2
96.96018	1.4
97.02949	1.3
98.20679	0.7
99.00880	0.7
101.02445	2.2
106.98103	3.3
122.97581	2.8
125.02457	2.0
127.04005	0.7
134.97598	6.0
136.99162	1.6
148.99161	5.8
152.98622	4.8
164.98640	10.6
206.99693	1.7
225.00761	12.6
240.05539	0.4
240.44507	0.4
277.21747	1.5
279.23291	0.5
299.04388	2.2
359.01904	0.4
459.88531	0.4
521.12335	0.5
577.26886	100.0
578.27179	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	577.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.4
61.98835	7.4
63.96240	0.8
69.42729	3.9
71.01389	5.8
73.02928	1.7
78.98598	5.8
79.95747	10.1
80.44245	0.5
80.96528	61.2
81.03453	0.8
82.95430	1.0
85.02952	2.1
87.00893	2.9
94.98101	15.0
96.96015	1.3
97.02973	1.3
99.00878	0.5
101.02456	2.2
106.98112	2.8
121.29734	0.5
122.97589	5.7
125.02481	2.6
127.04033	1.0
134.97607	4.0
136.99136	1.7
148.99155	6.3
152.98654	6.1
164.98647	10.0
167.00316	0.5
182.99661	2.1
195.69283	0.5
206.99712	2.8
224.98668	0.9
225.00774	14.1
243.01747	1.3
277.21735	1.5
299.04477	2.3
313.78445	0.5
379.28293	0.8
380.28769	1.7
471.35422	0.5
577.26910	100.0
578.27258	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	577.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50364	0.2
59.01385	0.8
61.98830	0.4
62.06347	0.3
71.01404	0.9
71.14078	0.5
78.95916	12.1
79.95756	2.8
96.96030	100.0
96.96948	18.1
97.23561	0.3
101.02465	0.3
118.96641	0.3
132.98247	0.3
231.22609	0.3
269.05283	0.4
376.28012	0.3
444.64777	0.3
445.20993	0.5
479.28769	0.3
533.50751	0.3
552.85925	0.3
577.25708	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17403	0.2
59.01379	0.7
60.52017	0.2
61.47269	0.2
69.48620	0.6
69.49045	1.2
70.10856	0.2
71.01402	0.5
74.07082	0.2
78.95916	15.7
79.95751	2.7
86.37473	0.2
87.06749	0.2
96.96028	100.0
96.96950	23.8
101.02446	0.2
107.16328	0.2
118.96681	0.4
132.87799	0.2
132.98177	0.4
138.47354	0.2
160.97667	0.2
163.30984	0.3
170.99805	0.4
198.99324	0.4
361.14359	0.3
445.21237	0.7
479.28595	0.6
517.31146	0.3
531.98431	0.2
577.25482	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	577.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.0
61.98835	1.3
66.43098	0.7
68.93468	0.8
69.64085	2.9
69.64497	1.5
71.01387	1.5
72.99313	20.0
73.65623	0.8
82.23733	0.8
85.02992	0.8
86.25030	0.7
86.43432	0.7
87.00871	0.8
88.98798	1.2
91.05539	0.8
96.95999	1.2
107.92088	0.6
119.05021	7.2
123.00922	0.8
125.02438	2.2
128.90196	2.5
135.04532	3.3
147.04539	26.2
147.07903	0.7
149.05997	1.0
152.08426	0.9
153.09291	0.9
161.06067	2.2
161.09731	1.2
163.04010	8.3
163.11380	0.7
168.00772	0.8
169.01465	3.7
172.22411	0.7
177.05505	1.3
182.87558	0.7
188.29538	0.8
191.03502	29.6
205.05078	2.1
205.12358	1.3
209.04593	10.2
211.02527	1.8
233.04515	4.6
251.05676	3.7
271.04703	1.9
274.95786	0.8
285.03961	1.2
311.07846	0.8
405.45874	0.8
426.17493	0.9
539.21375	3.6
541.22986	8.7
577.22937	100.0
578.23297	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	577.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66538	0.1
52.73779	0.1
55.44854	0.1
57.03441	0.1
59.01388	1.9
61.98535	0.2
61.98837	2.1
62.29010	0.1
63.02406	0.3
65.00330	0.9
71.01369	0.3
72.65204	0.1
72.99311	0.2
78.95901	0.4
81.97608	0.1
83.01394	0.7
85.02947	0.2
87.00875	0.2
89.02471	0.2
91.96291	0.1
96.95984	0.3
98.20685	0.2
101.02490	0.1
105.03464	0.3
107.01408	1.9
113.02457	0.2
115.21476	0.1
119.05022	0.2
121.02940	0.3
123.00861	0.3
125.02424	0.3
128.33385	0.1
133.02960	9.5
134.03246	0.2
139.00357	0.1
143.05013	0.2
145.02974	0.1
147.04565	1.3
149.02457	1.4
150.99191	0.3
151.00383	4.7
157.06490	0.1
163.04050	0.1
169.01390	0.4
169.06683	0.1
171.04567	0.2
173.06145	0.2
175.04013	3.0
177.01947	0.2
185.06050	0.3
189.05560	0.3
197.06145	0.2
198.03241	0.4
199.04030	2.5
201.01973	0.7
213.05582	0.5
215.03528	0.5
217.05045	1.3
223.03987	0.2
226.02686	0.2
229.05038	0.3
240.04315	0.1
241.05025	0.8
243.03046	0.7
243.17256	0.1
256.03830	0.2
257.04562	0.4
265.52603	0.1
267.02933	0.3
269.04544	0.5
284.03284	0.8
285.04059	100.0
286.04431	4.2
299.54773	0.2
355.24692	0.2
363.14456	0.1
446.09109	0.1
451.59793	0.1
517.31763	0.4
576.29443	0.2
577.13104	0.8
577.23065	0.5
577.30359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
58.63506	0.2
59.01393	0.3
62.62643	0.2
63.02406	0.2
64.48179	0.2
65.00331	1.0
69.30772	0.2
69.63174	1.4
69.63479	0.2
70.61391	0.2
77.06077	0.2
83.01373	0.5
105.03485	0.3
107.01405	2.3
115.42241	0.2
117.03477	12.1
118.03835	0.3
119.05050	1.3
121.02950	0.6
140.55417	0.2
143.00641	0.2
145.02969	10.2
149.02451	5.1
151.00380	6.5
159.04517	0.8
163.04033	0.5
169.06572	0.3
179.03606	0.2
180.05838	0.2
181.06577	0.9
183.04491	1.0
185.02425	0.3
196.05261	0.3
197.06094	0.3
201.05571	1.4
209.08252	0.6
220.60033	0.2
225.05608	2.9
227.03458	1.1
246.55371	0.3
253.53564	0.2
268.03751	0.7
269.04565	100.0
270.04904	5.0
307.08221	1.0
311.05667	0.5
314.34897	0.2
317.27075	0.2
577.13550	26.1
578.13770	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	577.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56200	0.1
57.16742	0.1
57.34266	0.1
59.01374	0.6
61.98828	0.3
63.02406	1.3
65.00311	0.9
69.20507	0.5
69.20936	0.9
70.99129	0.1
77.18671	0.1
83.01416	0.3
93.03462	0.4
96.95988	0.2
105.03471	0.1
107.01402	1.3
117.03475	9.3
118.03806	0.1
119.05042	1.5
121.03002	0.3
135.04575	0.3
145.02971	12.9
146.03329	0.2
149.02431	0.9
151.00391	1.0
155.05069	0.2
157.06653	0.2
159.04536	1.1
161.02428	1.2
163.04030	0.5
169.06573	0.3
171.04607	0.2
173.06030	0.2
179.03523	0.3
179.10843	0.3
181.06619	0.3
183.04572	0.8
187.04002	0.2
194.05873	0.4
196.05296	0.5
197.06055	0.7
199.04053	0.2
201.05574	0.6
203.03496	0.2
205.05142	0.2
209.08179	0.6
224.04736	0.3
225.05617	1.2
227.03625	0.4
253.05138	0.1
268.03806	2.4
269.04565	100.0
270.04901	4.8
270.07843	0.2
278.56232	0.1
307.08249	1.1
311.05728	0.4
375.86447	0.1
390.81641	0.1
431.09793	0.5
577.13550	26.2
578.13898	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	577.136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.1
61.98533	0.3
61.98837	5.4
63.02422	0.3
65.00336	1.1
66.10461	0.2
69.26559	1.7
71.01398	1.0
72.99296	0.3
73.02947	0.4
73.41297	0.2
78.95880	0.3
81.14691	0.2
82.95428	0.4
83.01394	1.0
85.02953	0.4
89.02444	0.5
93.03473	0.4
95.01414	0.2
96.96033	1.3
96.96980	0.2
101.02462	0.6
105.03482	0.4
107.01397	2.6
113.02482	0.4
117.03474	11.3
119.05027	1.3
121.02959	0.5
123.00867	0.3
125.02452	1.0
133.03003	0.2
135.04518	0.2
139.00383	0.2
145.02972	10.0
146.03299	0.5
147.02649	0.2
149.02461	4.8
151.00389	5.7
159.04559	0.9
161.02470	0.6
161.04532	0.3
161.06059	0.2
163.04008	0.9
168.00714	0.3
169.01456	1.4
179.10814	0.3
180.05754	0.3
181.06609	1.1
183.04541	0.8
185.02451	0.2
197.06136	0.2
201.05573	1.1
202.02606	0.2
213.05640	0.2
224.04855	0.4
225.05602	2.3
227.03566	0.8
253.05096	0.7
265.07230	0.2
268.03821	1.0
269.04568	100.0
270.04901	4.4
271.04712	0.2
285.04132	0.2
307.08325	0.8
311.05515	0.4
323.07593	0.3
341.23395	0.4
355.24881	0.7
385.22849	0.2
407.26053	0.2
455.31635	1.6
473.32776	0.2
485.28983	0.2
489.25720	0.2
499.30981	0.3
514.23096	0.3
515.24786	1.0
517.24768	0.4
517.31842	8.0
518.32220	0.5
523.61865	0.2
541.34607	0.2
577.13513	18.3
577.22046	0.7
578.13776	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
59.48502	0.3
61.98837	9.0
63.02407	0.5
65.00320	0.9
69.03500	0.2
69.09153	0.2
71.01386	0.9
71.58076	0.2
72.99310	0.2
73.02950	0.4
76.57675	0.2
78.95911	0.3
83.01398	0.9
85.02951	0.2
89.02456	0.6
90.59432	0.2
92.13959	0.2
96.96021	1.0
96.96995	0.2
99.00852	0.3
101.02460	0.5
107.01411	2.1
113.02470	0.4
117.03475	0.3
119.04986	0.5
121.02985	0.3
123.00970	0.4
125.02441	0.9
132.02228	0.4
133.02965	7.5
145.02956	0.3
147.04539	4.2
148.04869	0.6
149.02461	1.5
150.99184	0.4
151.00380	5.1
153.09299	0.2
161.04414	0.2
163.03998	0.6
169.01385	1.1
175.04007	3.1
180.44646	0.2
181.01451	0.3
185.06088	0.3
189.05684	0.2
197.06111	0.3
198.03181	0.5
199.04013	2.3
200.04373	0.2
201.01918	0.6
212.04790	0.2
213.05518	0.5
215.03418	0.5
217.05031	1.0
237.58884	0.2
241.05103	0.9
243.02948	0.5
255.03096	0.4
256.03766	1.5
257.04532	0.7
267.02884	0.3
269.04495	1.2
281.04602	0.5
284.03305	3.4
285.04065	100.0
286.04422	5.0
300.99826	0.3
327.19922	0.4
355.24921	0.3
415.21674	0.3
429.08279	1.6
457.73196	0.2
482.92786	0.2
515.24957	2.9
517.31366	0.6
532.32532	0.2
577.13544	13.8
577.27753	0.7
578.14008	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37443	0.3
59.01114	0.4
59.01388	5.9
61.01811	0.3
61.98835	6.6
63.02399	1.8
65.00309	1.6
69.22839	1.5
69.23270	1.8
72.99306	0.3
78.95898	0.6
79.37902	0.3
83.01404	1.6
88.98814	1.6
89.02460	0.6
90.91833	0.3
95.05042	0.4
96.96015	0.7
101.02448	0.5
107.01405	4.7
109.02932	0.7
111.65729	0.3
119.05051	0.5
121.02966	0.6
123.00910	0.6
125.02466	0.9
128.00810	0.3
129.04570	0.3
129.20258	0.3
130.46675	0.4
132.02106	0.4
133.02963	6.0
134.03748	1.5
135.04510	0.8
145.03001	1.7
146.85069	0.3
147.04533	0.9
149.02461	1.7
151.00395	6.8
161.06079	0.5
162.06531	0.5
163.04060	0.5
169.01425	0.8
171.04539	0.4
175.04036	1.9
177.01912	0.5
183.04462	0.8
187.04034	0.4
188.04727	0.7
189.05670	0.6
197.06139	0.6
198.03177	0.5
199.03983	2.8
200.04799	1.1
201.01991	0.8
211.04033	1.9
212.04846	0.8
213.05667	0.4
215.03510	0.4
217.05035	1.0
227.03477	3.3
229.14473	0.4
239.03601	0.8
241.05092	0.7
243.02855	0.6
255.02995	2.3
256.03806	5.5
257.04428	0.7
269.04544	1.9
283.02457	1.0
284.03281	73.5
285.04056	100.0
286.04422	4.2
297.03986	0.8
307.08365	1.0
327.05023	0.7
429.08725	0.4
514.23608	0.5
517.31921	0.8
577.13550	96.1
578.13831	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	576.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16171	0.4
59.01385	28.1
61.98842	0.6
75.16557	0.3
78.95914	26.0
96.95973	0.4
113.69951	0.4
122.98569	0.7
149.13628	0.4
152.99602	3.9
164.06885	0.4
168.04343	4.2
168.59322	0.4
221.32806	0.5
224.06940	10.3
242.08032	2.0
259.20749	0.8
275.20181	0.9
277.21741	100.0
278.22144	4.1
502.29437	76.2
503.29837	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.303
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11891	0.5
59.01385	1.1
60.04704	0.3
61.98838	100.0
69.35311	2.8
71.01391	0.9
78.98610	0.6
79.95757	1.2
80.96528	6.8
89.93890	0.4
94.98098	1.8
122.97700	0.5
124.02021	0.4
124.96633	0.4
125.02435	0.4
134.97635	0.4
148.99199	0.7
152.98634	0.5
164.98698	1.1
225.00800	1.2
251.39471	0.4
277.21851	0.7
278.22083	2.3
279.22437	0.8
299.04660	0.4
372.33832	0.4
379.28644	0.6
538.86169	0.4
577.26929	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	576.331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18861	0.3
59.01385	19.1
61.98833	0.6
78.95910	6.7
91.04583	0.3
96.96037	0.8
105.87213	0.3
152.99585	1.5
168.04288	1.4
224.06929	1.4
233.22717	0.4
242.08067	3.5
275.20221	0.5
277.21741	100.0
278.22083	4.3
357.13568	0.3
468.33414	0.3
502.29443	32.8
503.29913	2.5
513.42578	0.3
584.80414	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	0.7
59.77800	0.3
61.98837	100.0
65.73072	0.3
66.26077	0.2
69.34773	2.4
79.95769	0.3
80.96524	2.5
88.61075	0.3
94.98094	0.5
96.05225	0.3
118.05762	0.3
223.42987	0.3
225.00871	0.8
230.17230	0.3
255.09831	0.3
277.21777	1.1
278.22125	1.5
279.22437	0.8
280.22720	0.6
296.27731	0.3
577.26947	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	575.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08009	0.4
59.01387	36.8
61.98839	2.8
62.11535	0.4
69.36426	1.0
69.36841	2.2
71.01385	1.3
78.06081	0.3
89.73522	0.4
101.02485	0.6
103.05537	0.9
113.02468	0.5
119.05043	0.8
123.08198	0.4
133.06535	0.4
138.06898	1.0
139.07719	0.6
147.04538	100.0
148.04845	2.1
151.07617	0.8
152.08461	2.0
153.09207	5.5
161.06088	3.4
169.01407	0.4
189.05598	1.0
198.61652	0.4
205.12386	1.8
223.13333	0.7
236.77769	0.5
367.17709	0.9
379.80817	0.4
515.23102	1.9
527.32843	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31262	0.6
59.01387	13.9
61.98828	0.9
62.78907	0.5
70.12137	2.0
71.01386	3.3
73.02969	0.7
85.02952	0.7
89.02458	2.3
101.02455	3.1
113.02419	0.7
113.62417	0.6
119.03500	0.9
155.45937	0.7
161.04648	1.2
235.08273	1.4
252.36475	0.6
253.09279	13.6
279.23315	100.0
280.23685	4.9
586.17065	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11875	0.6
57.03453	0.7
59.01385	100.0
61.98834	13.9
71.01384	5.8
72.99315	0.8
73.02979	1.4
78.95963	0.7
83.01418	0.8
85.02979	2.2
87.00883	1.0
88.98835	1.2
89.02441	3.1
95.01405	0.8
96.96058	1.5
97.02943	0.6
98.19925	1.4
101.02454	3.6
105.92586	0.5
113.02483	5.4
115.05555	1.8
117.03494	0.7
119.03535	2.8
119.05061	2.5
123.00943	1.1
125.02483	3.5
131.05052	5.4
133.06599	2.9
135.04567	0.8
143.03505	0.6
143.05043	0.6
145.02942	0.9
145.06538	1.0
147.04539	43.8
155.84204	0.6
161.04646	2.4
161.06090	38.1
161.79674	0.7
168.00708	1.3
169.01479	3.6
173.06114	1.0
175.07684	1.2
189.05586	19.9
195.31682	0.6
201.05502	0.7
211.02699	0.6
219.06659	1.7
249.07822	1.7
353.23441	2.0
366.35803	0.6
446.64307	0.7
498.96957	0.8
499.22067	0.7
513.23645	1.7
515.30469	0.7
539.39618	0.7
575.21179	0.9
585.63049	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12091	1.3
58.30394	1.2
59.01392	13.1
59.20477	1.3
60.99316	17.8
61.98838	12.2
67.01914	1.3
69.51330	5.4
69.51742	2.4
71.01385	5.6
73.02952	1.8
83.01415	1.5
85.02974	1.7
87.00905	1.5
88.98818	100.0
89.02473	2.8
95.01373	1.9
96.96004	3.8
98.20695	2.3
100.52279	1.1
101.02437	4.0
107.01418	4.5
111.00899	1.2
113.02452	2.5
116.92892	2.8
119.05059	3.8
120.01234	1.6
123.00890	7.9
125.02451	17.6
139.00398	4.1
140.01144	1.2
143.10783	1.3
145.02988	1.7
151.00349	5.3
163.04077	2.2
168.00650	4.9
169.01456	26.0
179.10760	2.5
190.26086	1.3
205.05151	2.8
211.02484	21.3
225.29285	1.6
227.12796	2.2
265.05103	2.1
266.05823	4.3
271.01822	2.0
271.04630	31.5
285.04016	3.8
294.05307	4.2
309.04034	2.8
324.06290	2.5
331.06616	4.4
338.04266	4.5
353.06699	31.2
407.19406	1.7
485.20361	79.7
486.20401	5.8
503.55136	1.4
561.55524	1.3
575.23096	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	575.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	10.0
61.98825	3.6
71.01372	6.7
72.99313	8.7
73.02956	2.6
78.95900	4.8
85.02950	4.9
87.00899	3.1
89.02441	4.0
96.96025	41.8
96.96973	5.1
101.02467	3.7
107.01404	4.5
111.00957	3.8
112.99671	3.9
116.92882	4.3
117.86407	2.9
123.00926	17.4
125.02446	23.5
139.00351	4.6
145.02957	3.8
149.02420	4.3
150.03227	6.6
151.00377	9.3
153.02036	4.6
153.92368	2.9
160.04047	4.5
163.03877	3.3
165.05577	5.5
169.01431	31.4
183.06572	5.3
195.06639	4.6
258.52423	3.2
271.04556	4.6
275.02075	3.2
300.99878	6.6
343.11835	2.9
435.12610	3.0
469.72055	3.1
525.73560	2.9
539.21313	100.0
540.21484	12.0
575.19073	4.6
575.26794	3.7
604.77258	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	574.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58675	0.3
59.01386	1.2
61.98837	100.0
66.35812	0.3
71.01401	0.5
78.95918	0.7
96.96009	0.5
130.73122	0.3
136.62877	0.3
146.19113	0.3
151.78218	0.3
152.99619	0.3
212.84703	0.3
363.12350	0.4
431.28574	0.4
473.62332	0.4
489.36182	0.5
536.58533	0.3
571.52661	0.3
574.33856	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	575.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18535	0.2
51.49547	0.2
59.01390	1.3
67.01937	0.2
69.25692	1.9
71.01378	0.5
73.02960	0.2
79.95744	2.9
81.93372	0.2
89.02460	0.3
95.01414	0.2
96.96023	100.0
97.95959	0.2
107.01432	0.5
111.32831	0.2
113.02471	0.3
119.05032	0.7
123.00908	0.9
125.02477	2.2
130.80051	0.2
133.06651	0.3
139.00383	0.3
145.02963	1.3
149.02415	0.2
150.03224	0.5
151.00352	0.4
151.94197	0.2
161.06094	0.7
163.04031	1.6
165.01962	0.3
165.05537	0.7
168.00714	0.5
169.01431	3.4
177.05573	0.4
195.06653	0.6
205.05124	0.8
211.02438	1.2
225.11365	0.5
265.07156	0.9
271.04617	1.6
301.00052	0.4
301.07520	0.3
305.07095	0.4
331.06732	0.3
337.01651	0.2
351.21646	0.7
352.22122	1.1
449.11264	1.5
477.10440	6.7
478.11008	0.5
537.19672	1.3
539.21057	0.7
575.06183	0.3
575.14423	3.0
575.22400	0.3
576.14630	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.9
61.98837	3.9
69.27497	2.6
71.01388	1.0
71.57680	0.3
82.95385	0.3
86.02500	0.4
87.00863	0.3
88.98823	0.3
89.02472	0.7
90.31786	0.3
93.78696	0.3
96.96015	1.8
98.96790	0.3
101.02457	0.5
113.02450	0.5
119.05029	0.4
120.01264	100.0
121.01575	0.5
121.02921	0.4
125.02436	0.9
139.00392	0.3
146.02489	0.5
151.00388	0.3
160.04039	1.2
165.12862	0.8
169.01399	0.9
192.75381	0.3
247.20518	0.4
260.70935	0.3
283.94440	0.3
291.19696	6.8
320.42514	0.4
330.80386	0.4
412.21652	4.9
413.21848	0.6
427.68924	0.4
574.27612	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	573.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83518	0.3
57.03477	0.4
58.18367	0.4
58.40326	0.3
59.01384	20.4
59.76664	0.3
61.98817	1.7
63.68406	0.3
69.48766	2.8
69.68192	0.4
71.01391	1.6
72.99304	0.5
73.02984	0.8
73.29685	0.4
74.99102	5.7
83.01423	0.5
85.02966	0.8
87.00900	0.6
88.98821	0.5
89.02451	0.9
93.03445	0.4
95.01358	0.7
96.96024	4.5
97.33411	0.4
101.02439	1.5
107.01347	0.7
113.02451	0.7
117.03481	1.4
119.03512	0.9
119.05022	1.1
120.99580	0.4
122.03756	0.6
123.00899	1.8
123.04530	1.0
125.02473	2.9
126.90506	1.2
137.02420	0.6
139.00360	0.6
145.02971	6.1
149.02412	1.1
150.03238	3.7
150.23746	0.4
151.00412	3.9
151.03986	0.6
152.01146	0.8
153.02022	0.5
161.04546	0.6
163.04047	2.1
165.05576	5.0
166.02724	11.8
167.03511	2.6
168.00562	0.7
169.01421	3.3
175.04012	0.6
176.04778	1.1
181.05067	14.5
191.07213	0.4
195.06689	2.5
195.82758	0.3
206.05858	1.0
211.02628	0.5
220.03780	8.6
221.08258	0.4
235.06107	3.6
247.06096	1.2
250.04803	1.4
265.07187	8.6
270.42200	0.4
271.04514	0.5
284.03476	0.6
285.04239	0.5
300.99890	0.6
302.00174	0.5
307.08261	6.7
308.08447	0.5
347.22348	0.6
351.21774	100.0
352.22122	4.7
375.27634	0.8
393.22995	0.8
410.93762	4.0
427.12375	0.7
483.19159	0.4
513.27081	2.4
528.62848	0.4
535.21832	2.4
537.20178	2.0
555.14990	0.8
573.28662	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	573.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83518	0.3
57.03477	0.4
58.18367	0.4
58.40326	0.3
59.01384	20.4
59.76664	0.3
61.98817	1.7
63.68406	0.3
69.48766	2.8
69.68192	0.4
71.01391	1.6
72.99304	0.5
73.02984	0.8
73.29685	0.4
74.99102	5.7
83.01423	0.5
85.02966	0.8
87.00900	0.6
88.98821	0.5
89.02451	0.9
93.03445	0.4
95.01358	0.7
96.96024	4.5
97.33411	0.4
101.02439	1.5
107.01347	0.7
113.02451	0.7
117.03481	1.4
119.03512	0.9
119.05022	1.1
120.99580	0.4
122.03756	0.6
123.00899	1.8
123.04530	1.0
125.02473	2.9
126.90506	1.2
137.02420	0.6
139.00360	0.6
145.02971	6.1
149.02412	1.1
150.03238	3.7
150.23746	0.4
151.00412	3.9
151.03986	0.6
152.01146	0.8
153.02022	0.5
161.04546	0.6
163.04047	2.1
165.05576	5.0
166.02724	11.8
167.03511	2.6
168.00562	0.7
169.01421	3.3
175.04012	0.6
176.04778	1.1
181.05067	14.5
191.07213	0.4
195.06689	2.5
195.82758	0.3
206.05858	1.0
211.02628	0.5
220.03780	8.6
221.08258	0.4
235.06107	3.6
247.06096	1.2
250.04803	1.4
265.07187	8.6
270.42200	0.4
271.04514	0.5
284.03476	0.6
285.04239	0.5
300.99890	0.6
302.00174	0.5
307.08261	6.7
308.08447	0.5
347.22348	0.6
351.21774	100.0
352.22122	4.7
375.27634	0.8
393.22995	0.8
410.93762	4.0
427.12375	0.7
483.19159	0.4
513.27081	2.4
528.62848	0.4
535.21832	2.4
537.20178	2.0
555.14990	0.8
573.28662	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	573.176
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07435	1.4
59.01389	27.7
61.98832	7.7
69.03465	2.6
69.35433	1.4
69.54248	11.6
71.01038	1.5
71.01387	8.8
72.87876	1.5
72.99299	3.1
73.02927	1.8
74.99100	5.3
75.83003	1.3
78.26761	1.7
79.01881	1.8
82.95455	1.6
82.98962	1.6
83.01384	2.5
85.02957	4.4
87.00881	2.1
88.98809	2.1
89.02454	4.1
93.03453	2.1
95.01385	3.4
96.96015	11.6
97.02991	2.0
101.02446	4.1
103.44968	1.5
107.01364	7.8
109.02969	2.0
111.00887	6.2
113.02435	4.2
117.03458	3.3
119.03510	1.5
119.05010	2.6
121.02965	2.0
121.03896	1.4
121.14933	1.4
123.00894	20.5
124.01630	3.0
125.02463	44.0
126.90430	2.3
136.98871	3.2
137.02422	2.3
139.00359	5.6
140.01205	8.3
143.03540	1.5
145.02972	13.2
149.02428	2.1
150.03195	2.5
151.00385	15.0
161.02481	1.6
163.04007	4.9
165.05576	5.2
166.02766	9.4
167.03436	1.9
168.00629	10.6
169.01440	50.7
174.01695	2.0
175.03989	2.6
176.04808	1.9
181.05070	14.2
185.09924	1.5
185.38152	1.6
187.96684	3.2
195.06558	1.7
203.07248	1.5
204.95735	4.7
206.05931	2.9
211.02504	10.3
220.03755	17.3
229.97643	1.7
235.06134	8.4
247.06117	2.9
250.04803	3.0
265.07193	20.1
271.04605	12.6
285.03979	2.7
297.06339	2.1
300.99835	3.7
307.08200	13.2
313.05692	5.3
351.21783	81.8
352.22043	4.0
410.93652	5.5
421.11432	6.1
513.26489	3.1
537.19812	100.0
538.20001	6.1
573.12433	63.0
573.26233	6.4
574.12805	5.3
580.20673	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	573.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.4
61.98838	7.5
71.01390	11.2
71.57174	5.1
72.99303	2.4
85.02959	2.9
89.02452	7.7
93.03450	2.3
95.01435	2.6
96.96037	20.9
96.96982	2.5
97.02956	3.0
101.02460	9.0
103.93301	2.2
107.01408	6.4
111.00893	3.4
113.02460	5.5
119.03512	2.7
119.05074	3.2
122.03764	2.6
123.00925	12.1
125.02457	27.1
137.02516	2.4
139.00410	7.0
140.01155	4.5
145.02972	4.6
149.02440	3.0
150.03247	7.8
151.00374	18.9
153.01968	2.9
163.04053	6.3
165.05600	7.5
166.02742	19.9
167.03242	2.6
168.00635	7.0
169.01451	34.8
181.05072	24.0
195.06651	7.7
202.67609	2.3
211.02509	8.9
222.00246	2.6
224.76480	2.5
271.04623	17.8
300.60550	2.6
313.05688	4.0
330.53885	2.6
351.21768	95.2
352.22165	4.1
356.85406	2.7
375.20340	36.1
421.11401	7.5
427.16855	3.2
446.47455	2.5
465.07126	4.0
537.19751	100.0
538.20288	6.4
573.22412	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	573.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91081	0.4
59.01389	18.8
60.75126	0.4
61.98842	0.5
71.01396	1.6
71.57126	0.6
73.02974	0.5
78.95912	0.5
83.01404	0.5
85.02953	1.1
89.02469	1.2
93.03468	2.2
95.01422	0.7
96.96026	4.3
101.02474	1.1
107.01389	1.2
109.02914	0.5
111.00927	0.9
111.04544	0.5
113.02445	0.6
119.03527	0.5
123.00903	4.4
125.02469	5.5
133.03001	0.6
137.02466	1.8
139.00418	1.3
139.03870	0.5
140.01158	1.1
151.00400	2.5
155.03586	0.9
161.02406	1.2
168.00688	1.1
169.01436	6.6
178.92046	0.4
181.05069	0.5
183.57843	0.4
207.72824	0.4
211.02507	1.5
255.16103	0.6
263.15430	0.5
271.04715	2.9
300.99893	0.7
351.21783	100.0
352.22183	5.0
363.02191	0.5
365.23227	0.6
394.99728	0.4
421.06186	0.8
421.11444	7.2
449.54181	0.4
513.27045	2.5
537.19757	19.3
538.20178	1.1
547.40057	0.5
573.29529	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	573.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	36.3
59.97690	2.3
68.99582	4.2
69.32416	17.8
71.01389	11.1
73.02959	4.2
89.02466	7.9
94.98091	3.9
95.01383	2.4
96.96023	8.1
99.00888	4.8
101.02435	6.8
107.01378	6.1
112.98595	4.3
113.02470	4.3
119.03513	2.1
123.00883	8.8
125.02470	27.4
139.00337	4.3
140.01147	3.7
151.00340	4.4
151.04015	2.5
153.02100	2.0
165.01967	3.6
167.03540	2.0
168.00706	12.7
169.01425	44.5
187.11458	2.7
211.02501	52.1
212.02779	2.3
220.41371	1.8
271.04611	67.6
278.40118	2.3
300.99973	2.4
328.08609	2.2
331.06833	15.0
351.21796	100.0
352.22055	3.2
449.33133	2.2
459.18689	12.0
460.18774	2.3
477.10880	3.2
525.21204	3.0
537.19739	64.0
538.20258	4.4
573.21790	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	572.3213
Annotation	Canescensterone
Peak:m/z	Relative Intensity
61.98838	100.0
71.57211	1.5
78.95905	2.6
96.96974	2.5
112.71443	0.9
114.35597	0.9
218.90747	0.8
242.51581	0.8
245.44199	0.8
255.40320	0.9
322.75375	0.9
337.56461	1.0
474.32919	2.3
487.34317	13.8
488.34943	1.3
490.35275	2.3
572.32050	70.0
573.32703	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	573.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.3
61.98832	0.9
67.01892	1.1
69.03447	1.5
69.33665	3.9
71.01393	2.7
72.99332	0.8
73.02946	1.8
74.60849	0.5
79.01865	1.0
81.03477	0.6
83.01390	1.4
85.02949	1.1
87.00881	1.1
88.98826	1.3
89.02454	0.6
95.01424	2.3
96.96018	1.4
97.02969	1.1
101.02467	2.8
107.01401	11.8
109.03034	0.6
110.00094	0.6
111.00913	2.8
113.02445	1.1
116.46371	0.5
119.05018	0.9
123.00900	13.4
124.01617	2.2
125.02462	43.4
126.02766	0.8
127.00362	1.5
136.98877	2.2
137.02448	1.3
139.00381	6.1
139.03967	0.5
140.01186	6.0
141.01952	1.7
143.49701	0.4
145.02919	0.9
151.00389	10.0
153.01923	0.7
154.99939	0.6
159.04535	0.5
160.04005	0.8
161.02390	0.5
161.04573	0.7
161.06114	0.8
163.04033	0.7
165.01836	0.6
166.99901	0.6
168.00658	6.2
169.01448	50.5
170.01790	1.0
175.04059	0.7
179.03448	1.3
181.05054	1.0
193.05066	0.8
205.05067	1.2
220.03783	0.9
235.06042	1.4
253.03590	0.5
265.07086	1.3
282.98849	0.5
313.05746	2.9
313.08813	0.6
337.09308	0.6
342.12097	0.5
351.21774	1.2
364.46796	0.5
375.27255	0.6
403.10403	1.8
421.11444	38.5
422.11691	2.3
483.18588	0.7
573.12500	100.0
574.12836	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	572.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.5
59.49189	0.2
61.98837	100.0
63.99266	0.2
69.32338	1.2
69.32744	0.5
70.68401	0.2
71.01397	0.2
88.41669	0.3
96.95451	0.2
96.96011	0.4
119.05046	0.3
119.70292	0.2
123.00940	0.2
125.02485	0.7
130.44803	0.2
135.04626	0.2
138.02025	0.3
145.02974	0.5
146.03400	0.2
151.00418	0.4
168.00688	0.2
169.01483	0.7
170.01762	0.2
179.03523	0.4
187.96500	0.2
265.07227	0.3
285.04068	1.1
341.24640	0.2
572.28076	0.7
573.29785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.3
61.98837	100.0
71.01409	0.4
72.93047	0.3
96.13718	0.3
101.02480	0.3
102.59704	0.3
117.49862	0.3
117.82259	0.2
474.33044	0.3
512.30566	0.5
572.32269	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	1.1
59.41203	0.2
61.98837	100.0
62.98538	0.3
63.99274	0.2
65.13049	0.2
68.99834	0.4
71.01408	0.5
71.57890	0.2
73.02962	0.2
78.02029	0.2
78.95921	0.2
79.93788	0.2
85.76513	0.2
87.00887	0.2
87.04517	0.2
88.98790	0.2
96.96065	0.3
101.02483	0.3
107.01424	0.2
110.02431	0.2
119.05054	0.2
122.94667	0.2
123.00909	0.5
124.32629	0.2
125.02494	0.6
135.04532	0.3
137.02489	0.2
143.46466	0.2
145.02951	0.3
151.00465	0.2
163.04085	0.2
169.01414	0.9
179.03580	0.2
234.21867	0.2
285.04065	0.2
452.23483	0.2
572.28302	1.3
573.29205	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31100	0.2
53.46928	0.3
54.14130	0.2
59.01389	2.5
61.98842	2.9
65.35084	0.2
69.40032	0.6
69.40451	1.4
71.01385	0.9
71.83068	0.2
85.02962	1.0
85.03448	0.3
92.00992	0.3
96.96008	1.7
96.96972	0.3
98.20689	0.5
101.02438	0.6
111.00880	0.3
116.05083	4.5
119.05058	0.3
123.00909	0.3
125.02468	1.7
132.04570	0.4
139.00392	0.3
145.02989	0.6
146.08253	1.0
151.00389	0.4
153.01964	0.3
159.03297	0.7
160.04059	100.0
161.04439	3.0
163.03975	0.3
168.00545	0.3
169.01459	2.0
170.01790	0.3
171.01927	0.3
171.39813	0.2
174.01987	0.6
204.03027	5.6
211.02473	0.3
240.88225	0.3
270.81357	0.3
285.04056	0.3
322.14420	0.6
351.21774	2.5
366.08167	2.2
373.25946	0.8
374.26187	1.1
375.27460	0.3
528.18713	3.6
529.19250	0.5
534.24219	0.3
572.17761	10.0
572.25983	0.5
573.18103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08832	0.2
59.01387	1.3
61.98843	2.2
64.70890	0.2
69.30135	0.2
69.30467	1.5
71.01407	0.5
72.99306	0.2
73.02945	0.2
73.61377	0.2
75.00876	0.4
79.04798	0.2
85.02968	0.2
96.96012	1.5
98.20631	0.5
101.02456	0.2
107.01391	0.2
116.05074	3.8
117.03445	0.4
119.05063	1.3
120.05428	0.5
121.02888	0.2
125.02482	0.5
131.03746	0.3
132.04546	0.3
137.02448	0.2
137.75081	0.2
138.02008	0.6
145.02962	1.1
146.03284	0.4
150.03226	0.6
151.00381	0.2
158.06241	0.3
159.03250	0.9
160.04053	100.0
161.04422	2.7
161.09747	0.3
163.04044	0.9
164.04344	0.4
165.05569	0.8
166.05956	0.3
169.01385	0.9
174.01974	0.5
174.05493	0.3
179.10760	0.5
195.06624	0.4
196.06870	0.2
201.16246	0.2
204.01221	0.3
204.03030	4.4
204.06642	0.7
205.03583	0.2
213.04315	0.3
223.09778	0.2
226.08562	0.2
240.06709	0.4
253.07585	0.4
265.07397	0.3
271.06351	0.4
285.04208	0.3
292.09753	0.3
300.99890	0.3
304.13318	0.3
322.09332	1.3
322.14471	2.7
340.21460	0.2
348.12381	0.4
366.08301	11.6
366.13409	2.2
367.08630	0.7
367.13797	0.3
373.25775	0.3
374.26273	0.4
471.89783	0.2
524.24200	0.2
525.63104	0.2
528.18567	1.6
529.19458	0.2
534.24231	0.8
572.17755	11.4
572.26086	0.5
573.17877	1.0
573.27344	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26227	0.8
61.98837	4.3
78.95424	0.8
78.95914	60.0
96.96970	100.0
98.19860	1.8
98.29613	0.7
113.92650	1.3
115.92039	1.3
122.83781	0.9
125.09738	2.6
126.44685	0.7
173.08195	1.1
352.27692	0.8
413.34332	1.3
459.98654	0.8
473.36395	36.1
474.36581	2.9
486.18533	0.9
489.35089	1.4
571.28345	4.1
571.37170	4.2
572.33032	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.178
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58146	0.2
59.01392	1.3
61.98837	3.0
65.99872	0.3
71.01397	0.9
71.05030	0.3
72.50092	0.2
73.02966	0.3
78.95934	0.2
80.80940	0.2
85.02987	0.4
88.04043	0.3
89.02492	0.3
96.96030	1.6
98.19875	0.5
99.04535	0.2
101.02476	0.3
111.00887	0.2
116.05081	3.8
117.03498	0.2
123.00932	0.3
125.02451	1.2
131.03735	0.4
132.04590	0.5
135.04550	0.3
145.03020	0.2
146.08255	1.6
149.06247	0.2
151.00438	0.3
159.03217	1.1
160.04059	100.0
161.02481	0.2
161.04411	3.0
163.04068	0.3
165.02057	0.2
168.00697	0.4
169.01465	1.6
169.11870	0.3
174.02023	0.6
174.05489	0.3
204.03030	6.4
205.03384	0.3
218.10477	0.3
285.04108	0.3
300.99908	0.7
322.14517	0.7
322.92313	0.2
351.21881	0.5
366.08316	1.9
373.26193	0.7
374.26242	0.3
375.27966	0.3
391.45462	0.2
460.15897	0.2
484.20361	0.2
509.17484	0.3
528.18744	3.5
529.19507	0.5
572.17694	10.1
572.25305	0.5
573.17786	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2892
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
71.56080	0.8
78.95911	65.0
83.27128	0.4
96.96970	13.8
96.97597	0.8
117.46558	0.5
150.98009	0.6
152.99603	58.2
160.28418	0.5
185.35699	0.5
185.41257	0.4
223.00154	1.9
241.01207	31.3
255.23315	72.3
256.23557	3.0
259.02304	1.3
315.04889	9.7
391.22537	5.7
442.23978	0.5
571.28918	100.0
572.29108	6.9
583.99036	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2751
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	3.2
67.98428	0.6
71.13927	1.3
72.57079	0.6
78.95911	5.5
82.95434	1.1
92.99326	0.7
96.96978	7.6
98.97396	1.1
99.92591	21.5
100.93370	4.2
113.09811	0.7
115.92089	87.1
116.92112	2.0
116.92889	3.6
143.64909	0.7
221.19179	6.2
265.18097	3.6
269.21326	1.4
283.19153	7.5
287.22296	13.7
301.20200	1.2
387.93713	0.7
471.34610	5.2
472.35245	1.3
473.35535	2.7
553.26691	1.0
571.27405	100.0
571.41516	24.6
572.27747	10.2
572.42096	1.0
585.25049	7.1
586.25421	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.3
60.99311	16.4
61.98830	9.2
66.39291	0.7
71.01379	2.5
85.02958	0.6
87.00894	1.6
88.00415	2.3
88.98816	100.0
89.02451	22.2
96.96043	4.7
101.02457	1.1
125.02518	1.2
138.01949	0.8
139.07664	1.5
147.04591	1.4
153.70056	0.7
169.01450	1.7
179.03494	0.9
192.60133	0.7
196.41002	0.7
209.17891	0.7
387.91019	0.8
481.57065	0.7
571.29047	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	571.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59735	1.0
55.37129	1.1
57.60095	0.9
61.98831	4.7
67.16525	0.9
70.29932	2.3
70.30286	1.9
78.95911	7.2
87.29922	1.1
91.94613	1.1
96.96954	6.9
98.20553	1.6
99.92604	12.5
100.93366	4.6
114.77964	1.0
115.92087	100.0
116.92068	2.5
116.92857	6.2
138.98062	0.9
142.07205	0.9
156.18344	1.0
192.97913	0.9
197.45662	1.0
217.06947	0.9
264.34753	0.9
327.02621	1.1
331.39215	0.9
471.35056	6.1
473.35370	3.6
571.27325	72.8
572.28015	7.2
585.25293	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	571.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
61.98835	5.5
71.14146	1.3
78.95914	6.3
79.16712	0.7
83.47138	0.8
96.96976	7.1
97.42624	0.7
98.97462	0.9
99.00894	6.1
99.92599	10.3
100.93363	4.3
103.50840	0.8
115.92088	100.0
116.92107	2.4
116.92869	3.2
132.92432	1.2
403.03806	0.8
471.34799	12.7
472.35269	1.5
473.35489	2.7
571.27350	71.0
571.41974	2.8
572.27655	7.6
585.25104	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	571.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
56.80711	0.9
59.01385	8.7
61.98838	4.1
69.03466	1.6
71.01387	5.8
71.57233	1.3
72.99315	1.3
79.01880	1.8
83.01398	1.6
85.02953	2.6
87.00865	1.4
89.02467	2.9
90.21777	0.9
95.01389	2.4
96.96021	14.2
96.96973	1.5
97.02919	1.3
98.95598	4.6
98.96436	1.3
99.00887	1.4
101.02459	3.8
107.01404	5.2
109.02988	2.7
111.00924	3.0
112.81609	1.0
113.02457	3.0
113.29321	0.9
119.03517	1.0
121.02992	2.2
122.03743	3.4
123.00892	14.7
124.01646	1.9
125.02459	24.7
126.02832	1.2
136.01682	7.9
137.02435	2.3
139.00374	5.2
140.01161	4.0
141.01961	3.4
145.02966	2.7
146.03732	3.7
147.21988	1.0
149.02444	8.4
150.03241	23.6
151.00400	10.8
151.04022	14.1
153.01947	1.9
160.05293	2.4
161.02559	1.2
161.06116	1.5
164.04816	4.4
165.01860	1.3
165.05582	29.3
166.79021	0.9
168.00655	3.2
169.01439	29.0
175.04118	1.2
175.07648	1.2
177.05600	1.3
179.07033	5.1
180.04326	2.0
181.05133	1.4
189.32498	1.2
195.06645	20.1
209.08109	1.3
209.28738	1.1
211.02510	3.6
225.15009	1.1
225.26517	1.0
262.92325	0.9
263.05634	4.2
267.06494	1.9
271.04700	3.2
275.01990	1.4
282.08908	3.0
297.11346	3.5
300.99802	3.7
313.05789	1.7
315.12421	1.9
328.76993	1.1
343.11942	2.7
345.13303	2.2
373.12930	4.2
373.18661	4.0
403.08441	1.0
408.14523	1.8
409.14807	4.5
419.19345	1.9
425.10760	2.1
449.46075	1.0
465.08267	1.1
523.19794	1.8
528.44519	1.1
535.18604	1.5
539.21338	100.0
540.21838	7.1
564.45612	1.4
564.54504	1.2
571.20319	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	570.35
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.3
60.01714	0.2
61.98838	100.0
71.01403	0.7
71.57701	0.2
72.99332	0.3
73.02943	0.3
77.13890	0.2
80.89183	0.1
85.02972	0.3
87.04528	3.1
88.04871	0.8
89.02471	0.3
90.77286	0.2
99.00921	0.2
101.02480	0.6
111.95367	0.1
113.02435	0.3
117.03510	0.3
119.05042	0.8
123.00889	0.3
125.02468	0.8
135.04497	0.2
139.00424	0.2
145.02977	2.7
146.03322	0.2
151.00420	0.3
155.10835	0.4
156.11116	0.3
161.06087	0.2
163.04002	0.8
168.00676	0.2
169.01460	1.0
179.85612	0.2
179.93956	0.1
185.24075	0.2
205.05099	0.2
219.14009	0.2
235.06096	0.3
248.00395	0.2
265.07269	0.6
268.03964	0.2
269.04675	0.5
278.10315	0.2
285.04254	0.5
287.13013	0.2
307.08252	1.7
368.64783	0.2
377.22095	0.3
378.21899	0.4
510.36310	0.4
570.29810	1.7
571.27893	1.3
598.32275	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	2.6
61.98838	100.0
71.01408	1.4
72.99349	0.4
73.02963	0.8
78.95937	0.3
80.64588	0.2
83.01381	0.3
83.05053	0.3
85.03009	0.4
87.00875	0.3
88.98856	0.3
89.02457	0.4
89.50956	0.2
95.45747	0.2
96.96034	0.7
97.06557	0.3
101.02490	0.7
104.05261	0.3
107.01407	0.5
109.03033	0.3
110.02501	1.5
113.02515	0.4
117.03510	0.6
119.05047	4.7
123.00871	1.3
123.04566	0.3
125.02451	2.5
133.02965	0.4
133.63817	0.3
137.02548	0.3
137.09720	0.6
138.02025	0.6
138.10091	0.3
139.00348	0.4
143.45912	0.3
145.02974	3.2
146.03308	1.2
151.00412	0.9
153.01903	0.2
155.10838	2.7
156.11143	1.0
163.04037	3.4
168.00647	0.4
169.01485	3.0
177.01891	0.4
181.08795	0.3
193.65129	0.3
199.09857	0.8
200.10115	0.3
218.04848	0.3
221.11917	0.3
260.04196	0.3
271.04620	0.5
285.04120	2.0
299.99176	0.2
301.00305	0.3
302.13196	0.2
326.65491	0.2
332.44662	0.3
370.39410	0.3
371.24411	0.3
372.25131	0.4
373.26126	0.3
406.08875	0.5
407.09531	0.4
408.10107	0.3
417.89050	0.3
509.54141	0.3
510.24066	0.3
510.36111	0.5
526.36475	0.3
533.23883	0.6
534.24445	1.8
570.16260	1.7
570.26691	9.3
571.28229	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	569.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.6
59.01385	1.8
61.98835	3.3
70.12524	3.3
71.01375	0.8
78.95904	2.6
80.91680	1.0
86.44706	0.7
88.98807	1.5
96.96038	1.5
96.96973	5.2
97.06577	2.2
160.34863	0.9
197.49681	0.7
241.01237	1.0
380.93607	0.9
389.28644	4.9
405.31976	1.1
406.28754	5.8
407.29550	2.1
421.31122	2.9
422.31497	0.9
423.32703	13.1
424.33041	1.0
439.28510	2.0
469.33240	81.6
470.33563	7.5
487.34344	68.8
488.34641	5.2
569.34656	100.0
570.35168	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	570.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
60.48593	0.5
61.98835	100.0
67.51215	0.4
78.95908	9.5
81.09106	0.5
88.24604	0.4
96.96963	2.3
97.06562	0.8
131.48743	0.4
141.93396	0.5
144.93938	0.5
149.04480	0.5
152.99594	9.1
241.01210	4.6
255.23314	11.0
285.03906	0.5
315.04938	2.0
335.53674	0.5
405.31641	1.1
407.33267	1.5
408.33386	0.5
439.32275	0.7
451.32233	5.4
453.33713	7.4
454.33777	1.3
456.34418	0.7
570.34131	70.7
571.27789	12.7
571.35876	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	569.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74113	0.3
59.01371	0.7
61.98806	1.2
70.70872	0.9
75.39606	0.3
80.91695	2.1
96.96025	0.5
101.77901	0.3
106.03372	0.3
126.85386	0.3
156.44151	0.3
162.77762	0.4
171.01085	0.3
300.40656	0.3
379.30063	0.6
391.30246	0.6
409.31128	1.7
487.34323	100.0
488.34653	8.2
506.97787	0.3
569.34631	61.6
570.34821	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	569.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20935	0.4
59.01352	0.8
61.40900	0.4
61.98804	1.4
69.43231	3.5
78.95869	0.5
80.91643	1.8
99.13446	0.5
200.73148	0.6
360.16574	0.5
411.62357	0.6
450.27686	0.5
469.33481	0.5
473.32788	0.6
487.34305	100.0
488.34692	8.7
569.34637	64.1
570.35223	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	569.3253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.87025	0.7
61.98832	5.2
64.91656	0.7
71.57238	1.1
75.00871	1.1
76.85704	0.8
78.95914	61.8
96.96974	100.0
97.06626	2.2
113.92657	1.8
115.92068	3.4
125.09744	0.8
128.96173	0.8
202.23912	0.8
300.10654	0.8
318.45294	1.1
331.05374	0.9
369.80963	0.9
391.30209	1.4
405.31290	1.4
407.33215	3.1
451.32123	2.6
453.33823	13.3
454.34131	1.2
471.28098	1.7
471.34866	27.2
472.34988	2.5
473.35373	0.8
487.34204	1.5
492.39493	0.9
569.25330	4.4
569.34442	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	569.325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98830	1.1
64.30460	0.7
69.22519	4.8
69.22939	1.3
75.00880	2.2
78.95438	1.3
78.95914	59.4
96.96970	100.0
98.19938	1.5
113.92648	5.2
115.92078	3.7
282.39325	0.7
285.20859	0.9
426.81436	0.9
471.34836	38.9
472.35193	5.0
473.35483	4.4
569.25018	3.5
569.34308	4.0
569.41345	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.94017	0.6
61.98827	1.0
69.40957	4.7
72.37072	0.6
75.00896	1.1
78.95918	62.7
81.39237	0.6
93.57366	0.6
96.96977	100.0
97.93174	1.0
98.20601	0.9
113.92652	3.3
125.09759	1.3
144.81169	0.5
168.54852	0.6
171.10231	0.7
184.55499	0.7
187.09811	0.8
336.57254	0.6
415.23166	0.9
471.34833	34.8
472.35226	3.7
473.35559	2.2
569.27148	2.6
569.34967	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	569.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
60.99310	18.0
61.98828	10.0
69.29327	17.0
71.01377	2.1
81.16906	1.8
82.27235	1.8
85.58792	1.9
88.00435	4.4
88.46117	1.9
88.98818	100.0
89.02457	33.5
89.42844	1.7
102.09312	1.6
130.96872	2.0
138.34158	1.9
391.05011	2.2
423.32764	5.0
469.33408	22.5
487.34409	40.4
488.35049	2.6
509.32498	3.7
569.19873	4.0
569.34808	38.1
570.35217	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	569.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35156	0.6
61.98823	2.8
69.53125	4.2
78.95918	9.0
96.96964	14.3
97.06647	0.8
98.20442	2.6
98.97364	1.6
99.92583	7.4
100.93391	3.5
104.18899	0.6
112.53055	0.7
113.92622	1.2
115.92085	100.0
116.92094	3.3
116.92875	1.9
125.09752	3.8
128.29486	0.7
171.10286	2.2
187.09731	0.9
250.74030	0.7
258.19354	0.6
312.23279	0.7
351.60800	0.6
402.08920	0.7
415.23312	1.2
423.32761	2.3
424.33173	0.9
453.33929	1.4
461.30173	0.7
469.33240	5.0
470.33737	0.9
471.34399	6.1
537.32123	1.2
569.25763	51.2
569.33557	2.1
570.26031	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.8
58.00594	0.8
59.01383	4.2
61.98837	4.3
67.01906	1.2
69.03452	1.1
69.33875	4.6
71.01391	5.7
72.99331	0.6
73.02968	7.4
79.01895	2.5
82.95435	2.1
85.02963	2.1
87.04544	4.2
88.98808	2.2
89.02443	1.0
93.03437	0.6
95.01396	2.3
97.02959	2.4
99.00883	0.7
101.02435	1.6
105.26093	0.6
105.74117	0.6
107.01405	10.5
109.02949	0.7
111.00902	1.1
113.02450	2.2
119.04982	0.7
123.00904	23.1
123.08129	0.6
125.02462	38.5
126.02802	0.7
127.00323	0.8
130.28607	0.7
136.98775	1.2
137.02467	1.0
139.00392	5.3
139.03958	0.7
140.01143	2.7
141.01941	2.4
145.02959	0.8
151.00398	15.0
151.03867	0.6
153.01909	1.0
165.01862	1.1
167.03545	0.9
168.00645	4.8
169.01443	69.2
170.01770	1.9
183.02937	1.3
193.01442	1.0
195.13948	1.3
200.15018	0.7
205.12439	0.7
211.02528	8.6
241.03522	0.8
253.03583	1.0
255.15979	3.2
263.79272	0.7
269.17603	4.3
271.04666	1.4
297.16986	1.7
313.05637	7.7
407.17072	1.0
417.21533	1.1
509.20053	1.0
569.22400	100.0
570.22772	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	569.2249
Annotation	TMC 2A
Peak:m/z	Relative Intensity
54.97873	0.5
57.03446	0.5
57.45826	0.5
59.01390	5.1
61.98838	7.1
67.01898	1.4
69.03491	1.1
69.23662	5.2
71.01389	5.4
71.31586	0.5
72.99344	0.9
73.02952	8.7
79.01904	2.0
81.03452	0.8
83.01393	0.5
85.02956	1.2
87.04523	3.9
89.02471	0.7
95.01386	2.5
96.96030	1.2
97.02980	2.4
97.21192	0.5
98.20641	1.3
101.02467	1.3
104.81386	0.5
107.01397	8.6
109.03015	1.0
111.00909	1.2
113.02464	2.0
115.81881	0.5
117.03391	0.5
119.05028	0.6
121.02969	0.9
122.99995	1.0
123.00904	20.9
124.01670	0.9
125.02461	36.7
126.12096	0.4
137.02432	1.3
139.00388	5.7
140.01170	1.6
141.01938	2.6
145.02974	2.2
151.00391	14.4
151.04051	0.8
153.01944	2.0
163.04077	1.7
165.01979	0.6
167.03468	1.0
168.00661	3.6
169.01442	70.4
170.01781	1.2
177.12755	1.3
179.03546	0.7
181.01437	1.1
183.03087	1.0
193.01395	1.3
195.02921	1.0
195.13895	0.9
202.96269	0.5
211.02498	7.6
235.06145	0.8
253.03429	1.3
255.05098	1.9
255.16028	3.1
256.05441	2.0
265.07193	2.5
269.17648	4.1
271.04617	0.7
274.03259	0.6
283.57608	0.6
297.17099	1.6
313.05664	6.0
371.24469	0.5
387.16592	0.6
407.17029	1.5
417.21506	0.8
421.76254	0.5
533.19861	0.9
569.22400	100.0
570.22821	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.224
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00583	0.7
59.01387	21.5
61.98830	1.4
65.60165	0.3
67.01907	2.2
69.03461	11.6
69.76423	1.6
71.01388	2.0
84.84462	0.3
85.02976	0.3
93.03462	0.3
95.01399	0.7
96.96039	2.5
97.02961	46.2
98.03309	0.7
98.19908	0.7
99.32855	0.3
101.02503	0.5
107.01382	1.1
109.02962	0.4
113.02524	0.5
115.04090	0.3
119.05095	0.3
123.00883	0.8
123.08048	0.3
125.02487	3.5
137.02448	0.7
138.06908	0.8
139.00360	0.5
141.01958	100.0
142.02290	2.0
145.03011	0.5
149.02429	0.4
150.03235	0.7
151.00360	1.0
151.04054	0.4
151.07657	0.9
152.08464	1.7
153.01974	0.4
153.09233	2.8
155.03461	0.5
165.05592	0.5
166.02745	0.9
169.01439	4.4
178.23083	0.4
181.01448	0.5
181.05069	0.5
183.03004	0.6
190.09872	0.3
195.06708	0.4
197.61418	0.3
203.03658	0.3
205.12379	1.3
211.06168	0.4
223.13490	0.5
285.04092	0.9
300.99921	2.2
481.38354	0.4
507.11658	1.3
509.20358	2.5
523.15070	0.6
526.87805	0.4
533.26331	0.7
569.18329	0.6
569.23541	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20115	1.5
57.20135	1.6
58.00583	3.7
58.34935	1.5
59.01387	100.0
62.65063	1.7
63.59649	1.5
67.01881	2.2
68.91698	1.7
68.99795	2.0
69.03454	5.4
71.01390	20.5
71.48050	3.3
72.87128	1.7
72.99313	7.9
73.02954	5.4
81.03458	8.0
83.05026	4.9
85.02961	48.1
85.91312	1.8
87.00845	2.1
89.02452	9.7
93.03461	12.6
95.01404	23.8
96.96024	10.1
97.02937	2.9
99.00883	2.1
99.04520	7.7
101.02461	7.8
103.04036	6.3
109.02974	12.3
111.00912	11.7
111.34172	1.7
111.91890	2.3
113.02450	15.0
119.03529	1.8
123.04521	2.8
125.02455	4.7
126.92817	1.8
127.04041	34.8
137.02438	7.7
139.00401	25.4
140.87962	1.7
141.05602	2.2
145.05119	13.7
153.01918	2.4
155.03528	16.1
157.01488	2.1
163.06172	2.3
167.03537	3.3
169.05040	5.8
171.02968	4.7
181.01414	4.7
199.02512	57.4
241.03450	2.5
285.06088	5.6
301.00027	2.9
301.05936	3.0
314.03348	1.9
345.08234	17.0
387.09375	18.3
405.10315	10.2
423.11404	3.8
465.12640	5.5
551.16174	5.3
569.17444	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	569.1668
Annotation	lissoclibadin 3
Peak:m/z	Relative Intensity
59.01384	2.6
60.82312	0.5
61.98838	7.5
66.10618	0.5
67.01895	1.2
69.03461	0.8
69.67280	3.5
71.01379	2.3
72.99310	1.1
73.02946	0.5
78.95919	0.8
79.01881	1.3
81.03450	0.5
83.01369	1.4
84.67606	0.5
85.02942	1.1
93.03442	0.6
95.01389	2.0
96.96000	5.3
96.96968	1.0
97.02978	0.9
101.02444	1.7
107.01411	7.8
107.05039	5.6
109.02950	0.7
111.00883	1.8
113.02421	1.4
121.03002	1.2
123.00905	15.4
124.01639	1.5
125.02461	43.1
126.02855	0.8
127.00341	0.6
136.98795	1.0
137.02419	1.8
139.00397	5.4
139.03984	0.6
140.01199	3.0
141.01932	1.9
145.02968	0.9
149.06097	16.3
151.00389	10.5
161.02359	0.6
165.01926	0.5
167.03516	0.6
168.00626	2.7
169.01448	51.8
170.01756	0.9
178.35229	0.6
179.03464	0.6
183.02934	0.7
211.02483	1.2
219.61792	0.4
241.03580	0.8
255.10284	12.8
259.29874	0.6
313.05637	11.1
356.87082	0.6
368.07568	0.6
371.24316	0.6
417.15317	0.8
426.84937	0.5
529.71277	0.5
541.68549	0.6
569.16614	100.0
570.16980	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	569.145
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05217	2.2
59.01379	16.1
61.98838	22.1
62.31836	2.0
69.32538	3.9
69.32929	18.5
71.01398	11.9
72.99325	3.3
78.95914	2.8
83.01374	2.9
85.02970	4.3
85.29819	2.1
88.98798	3.2
89.02438	4.1
96.96029	25.0
98.19913	3.2
98.68967	2.3
99.73246	2.0
101.02424	6.1
107.01398	7.8
109.02980	2.7
111.00866	4.3
113.02428	3.1
117.03490	14.9
119.05032	20.1
121.03001	3.0
123.00893	14.3
123.04573	2.5
125.02463	23.2
126.02816	3.8
133.02948	7.4
134.50142	2.4
135.04506	5.7
136.74860	2.0
137.02432	7.3
137.09726	2.9
138.01953	5.3
138.03223	3.3
139.00366	5.1
140.01222	3.7
145.01913	3.2
145.02971	50.3
149.02425	2.8
151.00395	10.8
153.01964	2.2
153.45842	2.1
161.02473	4.2
161.06073	9.0
163.04019	25.5
164.04434	3.3
165.05585	3.5
168.00618	6.3
169.01428	20.6
170.01749	2.7
175.03969	3.6
177.05542	2.8
179.03436	6.2
199.09763	3.1
205.05064	14.9
235.06204	18.4
236.06471	3.2
261.03830	2.7
265.07190	30.6
269.04510	4.4
271.06055	7.5
283.04440	6.3
285.04056	100.0
286.04385	4.8
300.99762	3.2
325.09280	14.4
356.08951	11.8
371.11499	19.6
371.24396	5.4
417.08224	35.8
504.41394	2.3
509.30188	3.1
531.22198	6.2
533.16608	4.9
533.23712	13.3
542.13684	2.4
568.24548	9.9
569.08704	13.9
569.25574	72.0
570.09705	2.9
570.25726	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	569.0944
Annotation	Kaempferol 3-(2''-galloyl-alpha-L-arabinopyranoside)
Peak:m/z	Relative Intensity
52.27570	0.3
59.01447	2.2
61.98904	3.6
65.00379	0.7
69.28160	3.0
71.01461	1.3
72.99382	0.9
73.02980	0.4
79.63033	0.3
83.01478	0.9
85.03052	1.1
85.42673	0.3
93.03521	0.5
95.01443	0.5
96.96104	1.3
101.02524	0.6
107.01408	2.4
108.02286	0.4
113.02483	0.8
117.03512	1.7
119.05031	1.9
121.03054	0.4
123.00935	1.6
125.02460	5.1
133.02968	6.9
135.04515	3.2
137.02541	1.1
138.01988	0.4
139.00435	0.7
140.01253	0.5
145.02992	4.4
149.02522	1.4
151.00391	8.4
151.01532	0.6
151.04025	0.4
159.04575	0.8
161.02464	7.5
161.03716	0.5
161.06070	0.6
163.04022	2.5
164.04387	0.4
165.05673	0.6
168.00679	0.7
169.01436	4.8
175.04027	2.7
179.03619	0.7
197.06117	0.5
199.04008	2.0
201.02034	0.6
205.05144	0.9
213.05685	0.6
217.05165	1.3
224.04961	0.4
235.06128	1.3
241.05055	0.8
243.03052	0.8
243.06664	1.2
256.03857	1.1
257.04611	0.3
265.07187	2.6
266.07611	0.4
269.04459	0.8
283.04611	4.9
284.03232	1.9
285.04077	100.0
286.04385	4.2
287.05728	1.3
300.99771	0.7
325.09384	0.9
356.08884	1.1
369.22479	0.3
371.11572	1.9
371.24069	0.6
417.08298	33.1
418.08713	2.2
531.22186	0.7
533.16827	0.6
533.23950	7.0
568.24066	0.8
569.09137	16.7
569.26050	4.8
570.09583	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.3
61.98836	100.0
69.27148	3.7
71.01385	0.7
78.95929	0.7
96.96017	3.6
96.97000	0.7
105.62733	0.5
107.01378	0.6
110.02483	3.6
117.95625	0.4
119.05050	1.2
123.00910	1.5
125.02457	2.8
137.02478	0.4
139.00417	0.5
145.02986	1.2
151.00368	1.0
153.01889	0.4
163.04060	0.6
168.00679	0.6
169.01413	5.3
170.01796	0.5
177.52602	0.4
181.05099	0.5
269.04678	0.6
285.03970	3.9
285.58911	0.4
286.04398	3.6
295.06195	2.2
300.99957	0.6
313.00049	0.6
313.05893	0.4
314.00455	0.6
323.52505	0.4
329.02625	0.5
330.03207	0.5
344.05316	1.1
345.05252	0.5
346.05334	0.7
406.09430	1.2
433.06155	0.4
471.13446	0.6
567.24268	1.5
568.12817	2.5
568.24805	2.2
569.22235	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	568.147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94048	0.6
58.93747	0.6
59.01387	10.8
59.20893	0.7
60.01757	0.7
61.98837	32.4
71.01374	4.1
73.02950	1.9
83.01392	1.0
85.02968	2.8
89.02436	0.9
101.02447	2.4
113.02431	2.0
117.03492	1.4
125.02424	2.3
125.49195	0.7
138.02029	1.1
145.02986	3.1
155.10799	2.4
161.04559	1.4
169.01434	2.3
171.28337	0.7
199.09778	2.8
200.10071	0.8
285.04092	1.4
340.12964	0.7
340.17044	0.8
346.14355	1.3
362.03128	11.2
362.10419	1.1
363.03839	1.8
364.04733	1.2
376.04724	5.8
377.05386	3.4
389.05383	1.5
390.06232	31.5
391.06488	2.8
404.07767	22.9
405.08551	58.6
406.09274	29.8
407.09927	1.3
507.35373	7.3
508.35754	4.4
532.22833	1.1
533.23785	1.7
568.14667	100.0
568.23523	3.4
569.14972	9.9
569.26001	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04211	0.9
54.86329	0.9
63.11069	1.0
70.04951	4.4
72.99307	2.3
78.95898	3.1
83.76792	0.9
90.94720	1.0
96.96989	5.8
127.44003	1.0
131.33656	1.2
186.96437	1.0
194.77481	1.0
228.20190	1.2
465.67380	1.3
471.34836	100.0
472.35089	9.2
473.35352	2.9
567.26239	3.0
567.34045	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	567.367
Annotation	Integracin C
Peak:m/z	Relative Intensity
57.43810	0.5
60.99327	0.7
61.98861	0.5
71.05046	0.7
71.69635	0.5
73.03679	0.4
80.96551	0.9
85.06585	0.6
97.06602	8.6
126.39445	0.7
137.09752	0.5
149.09714	0.5
191.14404	0.6
218.95958	0.5
229.46275	0.5
373.25504	1.0
375.27057	0.6
377.28400	0.6
389.28345	2.9
391.30161	5.3
405.31674	10.1
407.33221	14.9
408.33621	0.6
423.28574	1.0
423.33459	0.7
437.30710	1.4
439.32172	2.6
441.28036	0.8
441.33749	10.8
442.34277	0.9
451.32205	46.0
452.32547	3.4
453.33780	89.2
454.34131	7.4
471.34708	2.3
485.36539	12.5
486.36835	0.7
497.32782	7.0
567.36682	100.0
568.37042	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	567.3304
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
52.26529	0.3
53.08895	0.3
59.01358	0.9
61.98810	0.9
70.41119	0.3
71.04995	1.2
80.91684	3.9
96.96012	0.7
125.36450	0.4
130.98442	0.4
219.99739	0.4
391.30133	3.0
392.30594	0.4
439.32391	0.4
455.31915	0.9
485.32751	100.0
486.33072	8.8
567.33057	62.5
568.33417	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	567.331
Annotation	Antibiotic VM 44857
Peak:m/z	Relative Intensity
56.05623	0.6
59.01315	1.5
59.01567	0.7
61.98735	14.0
61.99101	2.9
61.99249	0.5
80.91610	1.5
93.90866	0.6
96.95871	2.1
98.20695	1.0
142.59966	0.6
151.11301	0.6
175.61667	0.7
197.42236	0.6
206.96414	0.6
251.39946	0.7
283.93463	0.6
352.49084	0.6
399.64612	0.6
474.89886	0.6
485.32758	100.0
486.33121	8.7
567.33112	66.1
568.33240	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	567.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	1.7
71.57418	0.7
77.44945	0.7
78.95422	1.0
78.95914	63.1
96.96974	100.0
113.92641	4.0
163.29863	0.7
197.30083	0.7
245.49358	0.7
407.29916	0.8
409.31070	1.1
423.32751	21.2
424.33072	1.5
425.34006	1.6
454.96997	0.7
469.33286	32.2
470.33493	2.3
471.34689	1.6
485.32886	2.0
567.25079	1.6
567.33325	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	567.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87221	0.9
55.01877	2.1
57.03458	5.1
58.00608	1.4
59.01386	71.2
61.98838	11.0
69.03456	1.8
69.35869	8.7
71.01392	33.3
72.99297	1.9
73.02954	13.4
76.16402	1.3
83.01411	5.6
83.05030	2.2
85.02959	24.0
87.04526	3.6
89.02445	7.9
93.03458	1.0
95.01389	3.4
96.96025	3.1
97.02960	2.9
99.00871	3.4
101.01798	1.9
101.02454	31.2
106.73569	0.9
107.01450	2.0
111.00903	1.9
113.02467	14.6
117.03522	1.4
119.03508	1.9
119.05040	3.8
123.00908	3.5
123.04578	1.2
125.02469	6.3
133.02908	1.5
135.08179	2.7
137.09732	19.8
139.11263	1.6
143.03453	1.6
145.02945	5.1
151.00388	2.7
151.07658	1.2
152.08453	1.4
153.09183	3.9
155.10797	82.0
156.11038	1.7
159.02989	1.1
161.02437	1.6
161.04556	11.1
163.04024	4.8
168.00623	1.9
169.01448	10.6
169.12320	5.9
179.10728	1.3
181.08704	3.7
199.09770	63.4
200.10176	1.5
203.07346	1.0
205.12398	4.3
211.02559	1.6
213.11327	3.5
241.10835	16.2
250.00529	1.1
263.29227	1.0
271.04678	1.1
271.11975	4.8
281.56931	1.1
285.04068	6.8
299.26102	1.9
301.12921	16.3
345.30136	9.1
361.15079	15.2
390.06339	2.2
404.07758	1.4
405.08554	3.8
406.09689	1.7
414.98264	1.1
507.35388	100.0
508.35742	4.7
531.22510	1.9
567.28650	45.6
568.14618	3.9
568.27710	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	567.2447
Annotation	Fischeroside C
Peak:m/z	Relative Intensity
50.86412	0.4
57.03440	0.5
59.01388	6.4
61.98835	8.7
65.00334	0.5
67.01889	1.4
69.03459	0.6
69.24844	3.8
71.01391	3.6
72.17093	0.4
72.99311	1.2
73.02963	1.1
78.95950	0.6
79.01894	0.8
82.95441	0.5
83.01390	1.2
85.02962	1.7
87.00897	1.0
88.98829	0.6
89.02453	1.2
93.03477	0.7
95.01400	1.6
96.96020	3.0
96.97004	0.5
97.02994	0.5
101.02464	2.3
107.01402	2.1
111.00896	4.2
112.98616	0.6
113.02460	0.9
117.03482	1.5
119.05043	3.0
123.00900	10.0
124.01676	2.1
125.02465	13.6
126.02811	0.6
126.08331	0.5
127.00391	1.8
129.01877	0.5
135.04530	0.6
136.98824	2.7
137.02425	0.7
137.06087	0.7
139.00400	6.1
140.01175	7.6
141.01921	1.5
145.02974	4.8
151.00377	7.0
151.04054	0.6
153.01938	0.9
161.02505	1.3
161.06143	0.7
163.04021	4.1
166.99919	1.0
167.99226	0.6
168.00665	13.8
169.01445	21.3
170.01668	0.8
177.05630	0.6
179.03523	1.3
190.06271	0.7
191.03891	0.4
205.05043	1.0
206.52078	0.5
211.02477	3.4
213.05714	0.6
229.01459	0.7
235.06175	1.2
246.96994	0.5
254.60043	0.5
265.07275	2.5
269.04669	0.8
271.04672	2.0
274.01138	1.1
275.01947	1.9
279.78787	0.5
297.06229	3.1
300.99939	0.7
313.05692	2.0
316.07785	0.5
325.09439	1.2
329.05295	0.5
331.06732	1.0
369.22702	0.8
399.12643	0.8
405.19214	5.0
481.17407	0.5
496.19559	1.4
497.20520	3.0
531.22839	2.5
542.70319	0.7
567.24524	100.0
568.24884	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	567.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.0
57.33487	0.6
59.01385	6.3
59.69347	0.7
61.98840	7.3
65.00342	0.6
67.26077	0.6
68.99815	0.9
69.03462	1.2
71.01389	6.3
71.57634	1.1
72.99302	2.2
73.02944	4.2
74.29704	0.6
75.00871	3.6
83.01391	1.2
83.84533	0.7
85.02972	3.3
87.00895	1.0
88.98822	0.8
89.02466	2.5
90.37070	0.6
95.01378	1.5
96.96024	24.4
96.96988	1.3
97.02950	1.5
99.00916	0.7
101.02442	3.2
107.01402	5.7
109.02985	1.1
111.00928	2.4
113.02473	1.7
117.03491	7.7
119.05033	9.4
120.99679	8.3
122.03746	1.8
123.00916	7.1
123.04561	3.8
124.01694	1.3
125.02465	31.0
127.00360	0.9
129.01973	1.9
133.06615	1.9
133.34520	0.7
135.04543	0.9
136.98822	1.5
137.02469	2.0
139.00383	3.5
139.04117	0.9
140.01192	4.6
141.01950	1.2
145.02969	36.5
146.03319	1.1
151.00385	5.1
153.01968	1.4
159.03070	1.1
161.02486	1.9
161.06110	6.0
163.04037	14.2
168.00655	7.4
169.01451	48.8
170.01831	0.8
177.04103	13.4
177.05634	2.0
179.03484	1.4
181.12308	0.8
183.19633	0.7
187.03911	0.9
205.05074	7.9
206.99948	1.9
211.02478	3.8
232.89473	0.6
235.06169	8.7
255.16051	8.8
265.07214	18.6
266.07523	1.1
271.04706	2.1
297.06277	2.1
300.99951	0.9
325.09320	9.5
329.05145	4.3
369.22827	1.1
469.20581	1.7
495.28076	0.8
531.22461	17.7
532.22833	2.3
566.63831	0.7
567.24615	100.0
568.24927	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	567.206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41032	2.6
55.01890	5.1
55.67353	3.2
57.03452	6.7
59.01109	6.5
59.01388	89.3
61.98828	13.7
69.03481	3.0
69.22613	14.8
69.23035	14.2
71.01389	80.9
72.99336	3.6
73.02956	43.0
74.13805	2.8
82.55417	3.0
83.01385	28.1
85.02969	41.9
87.00879	2.9
89.02454	14.8
95.01402	7.3
96.96026	6.8
96.96941	3.4
97.02979	4.7
98.19897	4.9
99.00868	11.1
101.02459	76.0
103.04009	12.7
113.02474	30.4
117.03484	7.5
119.03544	5.2
119.05044	30.8
123.00887	9.9
123.04549	4.7
125.02457	27.5
133.02962	9.0
133.06633	7.6
135.04512	19.3
135.05391	2.9
139.00362	5.8
140.80945	3.3
143.03485	5.6
145.02959	45.2
145.04977	3.8
149.06058	5.1
159.03094	4.1
161.02480	41.5
161.04565	51.3
161.06079	18.7
163.04031	43.2
163.06137	9.1
168.00594	3.2
169.01434	15.1
169.67189	3.4
177.05632	15.5
179.03534	24.2
205.05127	26.1
221.04568	8.2
235.06142	29.9
243.06726	19.8
247.08257	4.7
251.05698	9.9
265.07199	60.5
281.06577	21.1
325.09329	46.5
341.08865	29.2
361.12939	80.3
362.13214	4.7
405.19263	5.7
437.84872	3.7
507.18759	100.0
508.18991	6.4
521.12561	3.2
531.22528	27.5
535.20660	4.5
567.24689	47.8
568.24396	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	567.2004
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.4
60.99302	1.2
61.98835	5.5
67.81385	0.4
69.44148	1.2
69.44567	1.7
71.01392	3.9
72.99299	0.6
73.02956	1.1
83.01404	0.7
85.02955	1.1
87.00915	0.6
88.98810	3.9
89.02460	1.4
89.15423	0.4
95.01430	0.6
96.96046	1.1
98.19936	0.9
101.02471	1.8
103.23742	0.4
107.01422	1.3
109.02973	0.5
111.00891	1.0
113.02463	1.2
115.82411	0.4
117.03480	25.0
118.03815	0.6
119.05042	16.1
120.05318	0.5
121.02966	0.7
123.00908	3.0
123.04547	0.6
125.02467	6.7
133.06604	0.7
136.05267	0.5
136.98802	0.6
137.02478	0.6
138.06908	0.6
139.00414	1.2
140.01158	1.0
140.43549	0.3
141.01901	0.4
145.02972	100.0
146.03307	2.1
151.00415	2.4
151.07605	0.5
152.08488	0.8
153.01982	0.6
153.09222	1.7
160.04066	0.3
160.91475	0.4
161.04721	0.6
161.06056	2.8
161.09760	0.4
163.04037	23.6
163.11290	0.9
164.04459	0.5
167.03539	0.4
168.00700	2.0
168.28351	0.4
169.01462	9.3
171.98445	0.7
177.05605	1.3
179.10733	0.4
181.01387	0.4
191.07542	0.5
199.06084	0.4
205.05042	3.4
205.12318	2.2
211.02481	5.0
212.56351	0.4
223.13255	0.5
235.05984	0.5
243.06627	0.5
255.16069	0.7
265.07159	1.4
271.01801	0.7
271.04614	9.2
272.04886	0.4
285.04144	0.6
300.99847	1.1
307.08264	0.6
331.06693	1.3
477.14258	2.1
505.20724	0.9
531.22394	83.5
532.22742	7.3
549.20190	1.2
567.13538	0.5
567.24817	7.7
568.25201	0.5
579.78259	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.3
61.98831	3.9
65.00323	0.7
69.24943	2.2
69.25356	0.5
71.01382	1.7
72.99364	0.3
73.02960	0.3
78.95916	0.7
80.02678	0.3
83.01392	0.3
85.02966	0.7
89.02464	0.9
91.01903	12.7
95.01396	1.1
96.96027	2.0
96.96946	1.3
101.02467	1.1
107.01397	1.4
107.05035	0.6
108.02182	15.0
109.02977	4.8
111.00900	0.4
113.02466	0.5
117.03465	2.4
119.05044	4.8
121.02979	1.1
123.00896	5.6
123.04517	0.4
124.01662	0.8
125.02472	3.2
133.06606	1.0
135.00902	11.2
137.02473	2.6
138.02000	0.3
138.03264	0.3
140.01189	0.5
145.02968	11.6
149.02406	0.5
151.00388	1.2
152.01169	14.5
153.01918	1.6
161.06067	3.2
163.04019	6.7
168.00635	0.9
169.01437	5.4
177.05588	0.7
187.03999	0.3
197.04550	0.4
197.06094	1.4
197.08018	0.3
199.07629	0.6
205.05061	3.4
211.02516	1.8
213.05565	1.0
215.07025	1.3
229.04770	0.4
233.04729	0.3
233.23857	0.3
235.06113	4.9
236.77483	0.3
242.05847	0.3
243.06628	100.0
244.06937	3.2
265.07166	8.7
269.04611	3.6
271.04660	1.6
275.02136	0.3
285.04147	0.6
297.06226	1.2
306.59552	0.3
307.08405	0.4
323.09448	0.3
325.09311	4.1
329.05127	0.4
384.63336	0.3
459.11392	1.2
507.27286	0.5
531.22394	6.7
532.22815	0.5
537.18500	0.3
567.17316	3.7
567.24506	10.9
568.24707	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.3
60.01716	1.3
61.01812	1.2
61.98838	100.0
63.24576	0.2
64.29115	0.3
69.33272	1.6
69.33681	0.6
96.96063	0.3
98.20655	0.6
117.30877	0.3
118.23744	0.2
126.89076	0.3
131.39275	0.2
213.14972	0.5
220.13371	0.3
249.10757	0.3
485.32724	0.6
566.37323	0.5
567.32422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.1
60.99318	8.7
61.98834	13.3
67.01884	1.3
71.01387	5.1
73.02956	1.2
79.01912	2.2
85.02956	2.6
87.00955	1.1
88.98818	48.4
89.02465	1.9
95.01379	2.5
96.96022	4.3
101.02466	3.1
107.01413	6.3
111.00907	1.7
113.02439	2.3
113.97527	1.0
116.92866	1.9
117.03464	1.5
119.05038	13.2
123.00905	13.4
123.04543	1.4
125.02460	27.0
133.06622	4.0
135.04543	1.3
136.98759	1.6
137.02505	1.5
139.00374	4.9
139.03984	1.5
140.01186	2.4
141.01930	2.5
145.02983	13.8
151.00386	9.9
153.02003	1.4
161.02466	4.1
161.04720	1.8
161.06058	9.3
163.00330	1.1
163.04028	18.3
164.04724	1.2
164.08838	1.0
165.01920	1.6
165.05669	1.6
168.00659	3.7
169.01445	40.2
177.05617	5.5
179.03468	1.5
181.01411	1.6
193.01462	1.3
193.05128	1.6
205.05061	10.9
207.06895	1.2
211.02480	3.2
223.06111	1.3
225.07828	1.1
235.06067	3.4
265.07275	8.4
300.91556	1.3
300.99835	7.3
302.00235	1.1
313.05679	1.8
331.06927	1.3
343.11783	1.4
455.63211	1.1
477.10416	100.0
478.10925	6.4
549.11072	1.3
567.16962	29.4
568.17242	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41350	0.1
58.32099	0.2
59.01390	0.5
61.98837	100.0
62.44120	0.1
71.01397	0.3
71.56961	0.2
73.02956	0.1
88.98824	0.4
89.02432	0.2
96.96033	0.3
101.02454	0.3
116.92888	1.0
117.92941	0.4
119.85835	0.1
125.02436	0.4
126.96609	0.1
139.04037	0.2
157.36345	0.1
169.01454	0.5
183.02940	0.2
294.42398	0.2
504.25247	0.2
505.25763	0.2
506.25699	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75952	0.3
56.48099	0.3
61.01758	0.3
61.98837	100.0
69.23780	2.6
71.01393	0.8
78.95908	0.3
83.05054	0.2
85.02985	0.5
89.02446	0.5
93.03475	0.3
96.96021	7.2
98.96516	0.2
99.89555	0.3
101.02470	0.4
109.02983	0.4
111.24162	0.3
113.02469	0.3
117.03493	4.5
117.04286	0.4
119.03564	0.3
119.05030	3.4
120.99667	0.5
121.02980	0.5
121.50791	0.2
123.00955	0.9
123.04546	0.4
123.99011	0.2
125.02486	1.6
126.02791	0.3
126.46416	0.2
127.27506	0.2
133.03040	0.2
133.06650	0.3
138.02007	0.3
139.00381	0.3
145.02968	19.9
151.00427	0.4
153.00531	0.2
153.09218	0.3
161.02510	0.7
161.06056	0.7
163.04025	5.1
168.00667	0.6
169.01421	2.1
182.05876	0.9
183.06253	0.4
197.08295	1.4
198.08594	0.7
205.05121	0.7
205.12361	0.5
206.99812	0.3
211.02531	0.5
257.04523	0.4
265.07428	0.5
276.45490	0.2
300.99973	0.5
313.05710	0.3
341.10510	1.4
400.18463	0.3
468.20047	0.3
531.22375	19.4
566.15717	0.7
567.24957	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	4.2
57.03447	3.3
59.01385	44.7
61.98837	33.3
67.01887	1.3
68.99572	1.7
69.03465	1.6
70.86726	0.9
71.01388	43.5
72.99313	3.7
73.02951	18.6
73.13537	1.1
75.00871	1.6
75.34905	1.0
81.03476	1.2
83.01389	10.6
85.02954	22.8
87.00872	3.5
89.02446	12.7
91.95826	1.0
95.01389	3.6
95.35117	1.1
96.85075	1.0
96.96021	5.0
97.02946	3.3
99.00896	9.0
101.02451	38.3
109.02954	2.1
109.06583	1.3
111.00906	4.8
112.98580	2.1
113.02459	15.0
114.30515	0.9
115.04009	1.5
116.92850	1.7
119.05037	3.3
121.02945	2.5
123.00885	6.0
123.04495	2.0
123.96896	1.2
125.02482	10.9
131.03519	1.9
135.04535	1.0
136.01698	1.8
137.02470	1.7
139.00372	1.9
141.01958	1.5
143.03464	1.5
145.02948	2.9
147.04482	1.2
149.04590	2.0
151.00398	3.0
151.04060	5.2
152.01147	1.9
153.01961	2.3
153.09184	1.2
159.02989	3.4
161.04593	8.6
163.04025	3.8
163.06268	1.0
166.99866	2.2
168.00610	1.0
169.01398	9.7
179.03471	1.2
179.10776	1.8
197.04565	3.2
211.02614	1.6
212.06390	1.4
225.11403	0.9
233.06761	2.9
253.21780	1.3
269.21310	1.4
271.04727	1.2
271.09808	4.2
271.22827	1.7
309.40820	1.0
343.15558	5.9
367.13974	1.1
403.17535	1.5
433.28040	63.5
434.28488	4.2
505.33551	2.8
552.82391	1.1
565.23596	15.8
565.32379	100.0
566.24512	1.7
566.32422	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71962	0.5
59.01387	79.8
60.01706	0.7
61.98819	0.6
68.16572	0.5
69.34046	2.6
69.34465	1.7
71.01381	1.0
75.00897	0.5
77.47300	0.6
89.02471	0.8
93.03478	1.3
95.70020	0.5
96.27621	0.5
96.96020	2.4
119.05031	0.6
121.02972	1.2
122.03748	5.0
123.00909	1.3
125.02435	1.8
134.03783	0.7
134.21979	0.5
135.04535	1.1
147.04572	0.8
149.02501	1.3
150.03241	32.7
151.03944	0.8
159.94504	0.5
161.02399	0.6
163.04071	0.7
165.05586	100.0
166.05936	2.9
169.01451	2.4
190.18590	0.5
201.66280	0.6
213.07703	9.9
238.71822	0.5
241.05098	1.4
271.09735	1.5
287.05823	0.7
341.10629	0.6
387.48010	0.6
565.22668	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0481
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48169	1.0
59.01382	1.1
67.03633	0.9
70.42719	3.7
71.01406	1.1
73.03027	0.8
78.95912	100.0
84.02143	0.8
85.02956	1.6
87.00898	1.4
96.96971	35.0
96.97600	1.8
107.31125	0.9
111.02016	8.7
113.02431	1.1
117.96224	0.9
120.97001	1.7
130.06715	1.0
138.98027	3.5
141.37933	0.9
150.97990	3.1
158.92532	16.0
174.98065	1.0
192.99004	1.5
206.46420	1.1
211.00133	4.4
217.03476	1.3
241.01251	7.7
257.54916	0.8
272.95676	5.1
273.46237	0.9
280.02322	1.6
285.65207	0.9
305.01593	1.7
320.97784	2.6
323.02859	64.8
324.03220	1.6
331.06763	1.6
384.98428	6.3
387.49075	1.0
402.99603	1.9
565.04224	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	565.0481
Annotation	UDP-Galactose
Peak:m/z	Relative Intensity
52.40634	0.4
54.73103	0.4
62.96407	1.1
71.04271	0.6
71.04613	0.5
78.95913	100.0
88.45786	0.4
93.52245	0.4
96.96970	37.8
111.02016	8.6
120.97025	1.8
121.97177	0.4
138.98056	3.3
146.98607	0.4
150.98048	3.4
158.92551	14.9
162.97906	0.4
164.03514	0.5
174.98018	0.7
176.93625	1.5
191.46855	0.4
192.99138	1.2
211.00125	5.1
221.79413	0.4
241.01207	8.1
272.95685	4.8
280.02292	1.6
289.19305	0.4
305.01874	0.9
320.97775	2.5
323.02878	56.8
324.03165	2.0
384.98480	3.8
402.99573	1.9
504.95221	0.4
540.21356	0.4
565.04816	19.1
566.05072	0.6
571.44073	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	19.5
59.01690	0.9
61.98822	1.6
69.33163	0.6
70.41468	0.6
71.01382	1.3
71.04704	1.5
78.95917	0.6
85.02967	0.5
85.66885	0.6
89.02499	0.6
95.01352	0.6
96.96008	2.8
101.02445	1.1
108.02184	0.8
113.02457	0.7
117.03473	1.2
119.05038	0.9
121.02968	1.1
123.00867	0.6
125.02459	2.3
135.04564	1.3
145.03003	3.8
149.06049	1.0
151.00391	0.8
151.04100	0.6
153.01939	0.6
169.01431	2.2
182.05853	1.2
185.06012	1.0
197.08235	0.9
249.59023	0.6
250.08801	0.5
254.99451	1.8
257.01083	0.7
269.98044	8.6
270.98773	0.8
277.71542	0.6
285.00482	10.7
297.97552	30.8
298.98270	2.6
311.99231	1.1
312.99927	55.8
314.00528	5.3
327.01376	1.1
328.02264	58.4
329.02893	8.8
338.00635	1.1
341.03171	0.9
343.04614	100.0
344.04883	4.9
353.03137	2.8
403.13812	0.7
490.30646	0.7
565.23700	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	565.0478
Annotation	UDP-alpha-D-galactose
Peak:m/z	Relative Intensity
59.01383	1.2
62.96406	0.8
67.17824	0.5
70.21256	2.1
73.46880	0.6
78.69379	0.5
78.95914	100.0
85.02970	1.8
87.00882	2.8
93.53819	0.5
96.95995	1.2
96.96972	38.7
97.02965	1.5
111.02016	8.4
113.02467	1.8
119.79058	0.5
120.96996	1.9
122.80734	0.5
127.04089	0.6
138.98006	3.4
150.98022	3.0
157.01561	0.6
158.92564	15.6
164.03680	0.6
169.01430	1.1
174.98058	1.0
175.02483	1.3
176.93625	1.3
192.99120	1.3
204.14474	0.5
211.00185	4.9
217.03516	1.4
241.01216	7.9
242.01241	0.5
272.95789	3.5
280.02274	0.9
305.01883	0.8
316.34705	0.6
320.97845	3.1
323.02869	58.2
324.03302	2.3
331.06805	1.2
381.10187	0.7
384.98398	4.4
402.99484	1.5
467.08096	0.7
485.15585	0.7
565.04736	15.1
565.11414	7.4
566.04620	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.029
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49656	0.2
56.78830	0.2
57.03451	0.2
59.01386	2.4
61.98833	0.8
71.01385	0.7
73.02950	0.2
74.35659	0.2
78.77526	0.2
78.95928	0.4
87.00945	0.2
88.85126	0.2
88.98834	0.2
89.02453	0.4
93.03507	0.3
96.96032	1.5
96.96983	0.4
98.20678	0.4
99.92594	9.2
100.92567	0.2
101.02481	0.4
104.79653	0.2
109.02992	0.2
116.92876	100.0
117.92876	3.1
119.05048	0.5
123.00930	0.5
125.02465	1.5
133.03008	0.3
135.04544	0.5
136.04053	0.3
137.02472	0.5
139.00366	0.2
145.02945	0.3
150.03255	0.5
151.00377	0.5
151.04115	0.2
153.01939	0.4
161.04596	0.3
163.03976	0.5
165.05557	1.6
168.00571	0.2
169.01459	2.2
173.35077	0.2
177.02031	0.2
181.89125	0.2
211.02640	0.4
213.05696	0.2
213.07753	0.2
241.05095	0.8
256.07428	0.8
271.04840	0.2
271.09814	1.5
285.04095	3.0
301.00040	0.3
447.09494	1.6
561.94305	0.2
565.22296	1.3
586.95374	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.2
61.98838	100.0
71.01392	0.8
71.56951	0.5
73.02962	0.5
76.36346	0.3
78.95932	0.3
85.02997	0.3
89.02485	0.5
96.96043	0.9
96.97006	0.4
99.00881	0.4
101.02428	0.6
108.82806	0.2
113.02495	0.3
119.05081	0.3
125.02425	1.4
131.03488	0.4
137.02408	0.3
144.85031	0.3
145.03003	0.5
151.00407	0.6
160.04077	1.8
161.02409	1.4
161.04605	0.3
162.02773	0.4
165.05579	0.4
169.01494	1.7
179.03529	0.3
180.04283	0.5
181.05067	0.3
207.06631	0.4
240.23624	0.3
300.99973	0.5
371.41556	0.3
372.21130	0.7
388.11731	0.5
399.97040	0.3
403.13971	1.4
501.19882	1.2
564.22455	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	0.9
60.78859	0.2
61.98838	100.0
68.98955	0.2
71.01387	0.5
71.57291	0.3
79.50840	0.2
89.02460	0.7
95.01422	0.2
96.96046	0.9
99.00918	0.3
101.02444	0.4
113.02467	0.2
123.00957	0.3
125.02469	1.0
137.02473	0.3
138.03273	0.4
145.03082	0.2
149.02571	0.2
149.04680	0.2
151.00369	0.5
151.03961	0.2
152.01219	0.7
153.01985	0.2
160.04074	1.6
163.04063	0.2
166.02744	2.3
167.03496	0.7
169.01479	0.8
179.03520	0.3
181.05106	2.2
191.03578	0.3
207.06543	0.2
275.01935	0.3
300.99948	0.6
388.11673	1.4
403.13977	6.4
498.33374	0.2
501.20102	0.3
564.22186	0.3
565.19525	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31501	0.3
56.40352	0.3
58.13236	0.3
59.01387	100.0
59.56107	0.3
60.01726	0.6
62.63508	0.3
71.20609	0.7
100.55094	0.3
101.77097	0.3
172.05754	0.3
234.54207	0.3
369.30444	0.3
397.90863	0.4
409.31329	1.1
421.31567	0.3
439.26938	0.3
441.33926	0.6
503.33813	5.1
504.34866	0.4
563.35895	6.0
564.36566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65421	0.2
53.74105	0.2
59.01387	100.0
60.01714	0.4
61.98837	2.5
62.12703	0.2
63.05729	0.2
63.75049	0.2
69.36593	1.9
71.01383	0.3
71.54584	0.2
78.09512	0.2
78.95893	0.2
80.08351	0.2
85.02954	0.2
96.96027	0.3
98.20642	0.5
101.02499	0.3
123.00921	0.4
125.02477	0.8
151.00433	0.2
169.01474	0.9
185.15485	0.6
341.23270	0.3
341.26816	1.9
365.83771	0.2
444.06702	0.3
452.97623	0.2
471.31155	1.8
483.31293	0.7
503.33820	6.0
504.34509	0.6
547.33331	0.3
563.21948	1.0
563.36603	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77840	1.1
57.61880	1.1
59.01389	29.7
61.98838	48.0
71.01405	2.8
71.56951	1.2
78.95919	26.8
78.96384	1.4
79.95744	2.9
80.99766	1.2
85.03017	1.3
96.96022	100.0
96.96976	46.2
101.02464	1.4
106.73576	1.1
119.05025	3.0
123.00903	3.2
125.02479	7.5
151.00377	4.2
152.99454	1.3
153.29457	1.2
157.88617	1.2
169.01459	9.4
264.83438	1.3
271.06323	6.6
300.99802	1.5
313.05624	1.4
341.14117	2.5
441.16843	1.7
466.64658	1.1
503.33545	4.7
563.21582	10.6
563.29749	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	563.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03445	1.9
59.01391	18.4
61.98841	15.6
69.21626	6.7
69.22048	3.0
70.69310	1.0
71.01382	7.6
71.18851	0.9
72.99320	22.9
73.02944	2.4
73.15442	1.1
75.00905	1.1
78.95910	7.2
79.95730	1.7
81.80453	0.9
83.01408	1.5
83.05034	2.0
85.02959	2.0
86.61053	0.8
87.00871	1.3
88.18216	1.0
88.98790	1.5
89.02461	5.9
95.01408	1.0
96.96028	42.2
96.96957	11.3
97.02981	1.0
99.00877	1.8
101.02449	5.7
113.02454	3.4
117.03500	1.3
119.03481	1.4
119.05042	13.5
121.02951	2.1
123.00856	1.5
125.02474	8.0
127.03957	1.0
131.03529	2.4
135.04575	5.7
137.02452	1.8
138.01842	1.2
139.00386	1.0
145.02953	3.4
147.04546	31.9
148.04921	1.0
149.04564	2.4
150.03233	9.1
160.03870	1.0
161.04500	1.9
162.03503	0.9
163.04030	10.1
165.05585	7.4
168.00702	1.1
169.01442	8.9
175.04025	2.4
176.01193	2.3
177.05556	1.5
177.09259	1.1
179.10783	3.2
180.04305	3.0
191.01756	1.5
191.03526	31.9
192.04028	1.3
193.05023	1.2
193.12254	1.0
195.06647	12.9
208.99577	7.5
209.04472	5.5
211.02454	1.1
223.09657	1.1
235.06160	1.4
251.77196	1.0
285.03973	1.1
301.00046	2.2
327.21805	2.1
339.08658	1.2
340.21255	1.3
341.21683	1.8
369.13632	2.3
371.20709	2.5
401.16006	2.7
483.32880	1.4
500.21991	1.4
503.25012	4.2
525.29187	1.6
545.23663	1.4
563.25061	100.0
564.25507	7.5
590.53485	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97049	0.5
59.01388	46.0
61.98843	2.7
69.22714	3.8
69.23117	0.9
71.01391	8.5
72.99294	1.0
73.02951	1.0
83.01386	1.1
85.02964	2.5
87.00886	1.0
89.02455	9.8
89.03990	0.5
92.43855	0.4
95.01392	0.9
96.96027	3.1
96.96959	0.7
99.00878	0.9
101.02453	6.7
111.00865	0.7
113.02455	4.9
117.03484	1.7
119.03523	2.6
119.05036	0.9
123.00960	0.6
125.02439	1.7
132.02208	5.5
133.03000	5.4
134.03749	16.3
135.04521	1.7
137.02425	0.6
147.04556	1.0
149.04570	1.4
149.06087	1.7
160.01678	29.8
161.02458	16.0
162.02892	0.5
163.03876	0.7
163.11292	4.6
169.01460	2.2
173.06171	0.7
175.04019	32.6
176.04767	3.3
177.05585	0.7
178.02789	1.2
179.03467	1.2
191.07179	2.7
193.05081	10.2
207.06740	0.6
207.10294	8.7
220.03879	0.7
235.06140	5.0
253.09288	0.7
265.07214	1.3
281.07043	0.6
289.10800	0.5
295.08258	1.1
327.21811	2.5
331.07208	0.6
369.15628	1.7
387.16632	100.0
388.16989	5.0
489.17664	1.6
503.19135	1.3
503.25253	1.5
525.23083	0.6
531.19220	2.7
563.21411	43.4
564.21930	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	562.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53751	0.5
59.01389	4.6
61.98537	0.9
61.98836	11.5
65.16138	0.5
65.49331	0.5
68.99587	0.9
71.01394	1.0
72.32744	0.4
78.66811	0.5
85.02972	0.5
90.76715	0.5
93.03465	2.3
101.02499	0.8
116.05077	5.2
152.15047	0.5
159.03268	1.0
160.04054	100.0
161.04408	2.5
169.01407	0.7
169.06462	0.5
193.10150	0.6
204.03006	7.1
204.04718	0.6
229.74048	0.7
326.04163	0.8
341.06711	2.4
356.09329	5.9
462.65808	0.6
509.62732	0.6
517.97998	0.6
520.01550	0.6
562.13574	12.5
563.14014	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.38
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49926	0.3
59.01387	100.0
68.16718	0.3
70.86832	0.7
73.52167	0.3
79.85394	0.3
88.94343	0.4
115.05531	0.3
261.87195	0.3
274.23422	0.4
463.66226	0.4
469.33105	1.0
494.73444	0.3
501.35757	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01731	0.5
70.86988	0.9
72.85051	0.4
79.53529	0.4
88.49904	0.4
95.89824	0.5
98.20761	0.4
100.89639	0.4
117.88442	0.5
152.20401	0.5
157.54861	0.4
161.87927	0.5
164.30801	0.4
192.95735	0.4
202.68672	0.4
246.50114	0.4
481.33698	1.4
501.35938	22.6
502.36572	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15106	0.6
57.03448	0.9
59.01387	100.0
61.98840	7.8
71.01409	1.1
72.99356	0.6
73.62672	0.6
85.02966	0.8
85.06590	0.7
87.04527	2.1
94.02433	0.5
96.96021	1.8
101.02468	0.6
121.06594	0.6
137.16483	0.5
147.04529	0.6
192.62865	0.6
253.19640	1.0
300.99948	1.7
307.24338	1.7
337.14011	0.7
339.25284	3.1
393.28024	1.0
405.28156	1.2
407.29788	0.8
423.29102	1.8
453.30176	0.8
455.31616	1.8
469.29614	2.6
501.32275	94.7
502.32639	7.9
503.33414	1.2
561.34967	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	561.3438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.8
58.95041	0.3
59.01385	100.0
60.99318	0.8
61.98835	16.3
66.52799	0.4
68.99574	1.0
69.03461	0.5
69.95118	0.3
71.01387	3.4
72.99326	0.4
73.02940	1.7
83.01396	0.6
85.02981	1.5
88.98814	6.3
89.02453	2.6
95.01401	0.8
96.96017	4.1
97.02999	0.4
98.20682	0.6
98.95567	0.4
99.00885	0.7
101.02467	2.6
107.01426	1.4
109.02994	0.5
111.00907	0.8
112.98599	1.5
113.02468	1.4
117.03483	0.5
119.05043	1.1
120.18644	0.3
121.02979	0.9
123.00877	1.8
123.04548	0.9
125.02444	5.8
125.03173	0.4
126.02859	0.5
132.02203	0.8
133.02998	1.0
134.03786	1.4
135.04553	1.0
137.02477	0.8
139.00401	0.8
145.02956	1.8
148.20381	0.3
149.02522	0.4
149.04630	0.9
149.06079	0.5
150.03247	2.4
151.00421	1.3
151.11253	0.4
153.02055	0.5
153.05640	0.9
160.01672	3.5
160.04095	1.5
161.02480	1.5
161.04570	1.4
163.04065	0.5
163.11333	0.4
165.01863	0.5
165.05553	5.6
165.06654	0.4
166.87036	0.3
168.00705	0.5
169.01430	6.8
170.01860	0.6
175.03999	3.6
179.03548	0.8
181.12572	0.4
193.01543	0.5
193.05194	2.0
205.12386	0.5
206.51030	0.4
211.02554	1.2
213.07762	0.8
234.07858	0.4
235.06235	1.0
255.15993	0.6
261.11166	1.2
265.07294	0.5
271.04712	0.4
283.06555	0.3
285.04086	2.8
289.10684	0.8
299.99237	0.6
301.00034	1.2
307.08264	0.4
313.05701	0.6
318.40958	0.3
331.06750	0.8
363.24176	1.0
441.11938	0.6
447.09277	0.6
499.22235	0.6
501.32263	12.9
502.32962	1.2
523.21893	0.4
525.21252	1.0
525.29352	6.1
561.21497	4.7
561.34766	1.2
562.09778	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21622	0.3
58.73627	0.3
59.01384	100.0
60.01724	0.6
61.98835	1.4
71.01389	0.4
75.34766	0.3
80.91680	0.9
96.96036	0.9
142.33672	0.3
304.52081	0.4
389.28769	0.4
391.30261	1.3
409.31183	5.5
409.36166	0.3
410.31577	0.4
435.29120	0.7
444.03540	0.3
453.30124	36.0
454.30453	3.0
485.32941	0.8
487.34329	2.5
501.32565	1.2
561.28351	1.7
561.36493	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01732	0.8
69.30428	2.2
75.90463	0.3
78.81956	0.3
84.23154	0.2
252.54686	0.3
407.29852	0.5
419.29810	0.3
422.58240	0.3
469.29825	0.9
501.32275	8.4
501.39368	0.5
502.33142	0.7
561.35223	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	561.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60951	0.3
57.20764	0.3
59.01388	100.0
60.01725	0.4
61.98840	0.5
63.31980	0.3
66.60139	0.3
69.30944	2.5
70.08466	0.3
74.75947	0.3
79.16675	0.3
83.79623	0.3
98.19871	0.6
113.09329	0.3
130.27126	0.3
335.08847	0.3
360.37784	0.3
407.29044	0.3
457.33188	0.5
469.29892	0.5
501.32343	7.9
502.32901	0.6
561.34961	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	561.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98835	8.4
71.01385	5.9
71.56743	0.8
73.02968	3.0
78.91881	0.9
83.12814	0.7
85.02982	2.8
87.00907	1.0
87.92068	0.7
89.02460	1.8
90.11796	0.8
96.96037	2.7
99.00922	1.5
101.02452	8.6
113.02480	3.4
119.03603	0.7
130.97478	0.8
142.16048	0.7
145.03036	0.8
147.44691	0.8
154.11868	0.7
161.04568	9.0
183.13951	5.8
195.13942	6.3
213.14987	50.6
214.15404	2.1
245.01149	0.9
301.00183	2.1
305.16074	24.0
339.25201	0.8
341.14349	0.7
457.32343	0.9
489.35004	1.7
501.32330	5.1
508.22827	0.8
561.28687	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77176	2.3
59.01381	11.2
60.99312	3.5
61.98833	11.1
69.26427	20.0
71.01389	10.3
73.02959	3.8
83.01379	2.8
85.02943	4.3
88.98814	15.5
89.02452	5.2
96.96021	30.6
99.00877	2.3
101.02457	9.9
105.48432	2.0
111.00874	2.9
113.02441	4.8
123.00919	3.2
125.02470	6.8
151.00351	2.4
160.01723	2.2
160.03972	2.1
161.04541	3.1
169.01437	8.1
222.38452	1.9
275.01373	2.0
282.24524	2.5
285.03998	3.4
299.98734	2.2
435.13062	4.5
525.29230	100.0
526.29681	8.7
561.16681	8.2
561.27441	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	561.269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60614	1.3
55.67718	1.2
59.01390	12.9
61.98838	13.9
69.03448	2.7
69.27863	12.0
71.01395	8.0
73.02937	2.5
79.09336	1.3
79.83208	1.2
79.95769	2.4
83.01388	1.6
85.02952	2.5
85.59303	1.2
86.69682	1.2
88.98829	2.6
89.02454	2.4
93.03461	1.8
95.01403	1.3
96.96022	100.0
97.02982	1.9
98.20681	2.8
98.95631	1.8
99.00884	1.3
101.02449	5.0
107.01376	2.0
109.02947	2.1
111.00854	2.1
113.02408	3.6
117.03463	2.1
119.04987	1.5
123.00887	2.6
125.02454	10.1
132.02161	2.9
133.02966	2.1
134.03757	12.8
135.04526	1.9
137.02443	1.7
140.01109	1.7
145.02975	3.8
149.06042	3.7
151.00290	1.5
152.01192	2.0
160.01711	13.4
160.03998	1.7
161.02446	2.3
161.04549	1.7
163.03954	1.7
166.94118	1.4
168.00662	1.4
169.01448	13.1
175.04018	13.7
176.04735	4.0
178.02696	3.2
179.03424	1.2
185.00900	2.0
191.07187	8.7
193.05058	17.5
207.06615	1.3
211.02573	1.7
217.05064	1.5
235.06100	18.5
265.07214	13.8
291.09076	1.6
295.08292	21.4
296.08447	1.2
300.99915	1.5
331.06628	2.1
355.10269	2.0
357.52673	1.4
363.11121	1.4
363.23801	2.2
415.12869	1.4
435.13348	13.1
461.49969	1.4
525.29352	30.1
526.29718	2.1
561.16559	39.7
561.26819	12.3
562.16772	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	561.2346
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
55.29976	0.5
56.12548	0.5
59.01386	18.3
61.98832	2.4
71.01385	4.2
71.05068	1.3
71.05429	0.6
72.99284	0.6
73.02937	1.1
83.01390	0.6
85.02974	1.8
87.04547	0.6
89.02467	2.3
95.01427	0.6
96.96030	6.2
98.95606	4.1
98.96432	0.6
101.02446	1.9
113.02498	2.4
117.03455	3.4
123.04484	1.5
125.02471	1.6
128.24602	0.7
132.01227	1.2
132.02185	20.0
133.03012	2.7
134.03755	37.1
135.04523	0.8
136.01665	1.0
136.05304	1.7
137.02444	1.2
138.06889	1.4
145.06747	0.6
147.04547	1.0
149.06110	3.4
150.03242	0.8
151.07648	1.2
152.08444	1.9
153.05536	1.8
153.09218	3.7
160.01675	91.1
161.02139	2.5
161.09711	0.8
165.05571	2.0
169.01451	2.2
175.04015	100.0
176.04633	3.6
177.05554	1.1
178.02759	0.8
179.03436	1.2
191.03510	0.7
191.07153	3.5
192.04309	0.8
193.05072	48.7
194.05469	2.1
205.12354	3.7
207.06700	1.3
217.09006	0.6
218.43405	0.6
221.04550	0.6
223.13438	0.8
235.06114	7.2
261.11020	0.7
265.07263	1.4
295.08377	1.5
337.09357	2.3
364.02667	1.0
501.32324	2.0
525.29193	1.5
526.29449	0.6
530.91602	0.5
561.23425	98.5
562.23798	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	559.3644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01735	0.5
61.68742	0.3
71.47253	0.5
89.31885	0.3
106.06671	0.4
107.36079	0.3
115.89867	0.3
124.85829	0.3
130.45294	0.4
134.06140	1.4
135.06512	0.6
162.91922	0.3
169.48079	0.4
271.03870	0.3
338.78894	0.4
390.04825	0.5
451.32092	2.9
559.36987	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.1411
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
54.08054	0.4
56.29419	0.4
59.01386	16.3
61.98838	8.9
63.02404	1.6
65.00330	1.2
70.76637	1.5
71.01376	1.1
73.02953	1.2
78.95924	0.6
83.01385	1.3
85.02954	0.8
85.06610	0.7
85.85480	0.4
88.98791	0.5
89.02455	0.9
93.72392	0.5
96.96017	2.0
99.44703	0.4
100.11206	0.5
100.45868	0.4
101.02427	1.2
107.01411	2.4
113.02423	0.6
117.03498	2.5
119.03582	0.5
123.00887	0.6
125.02425	1.0
139.63631	0.6
145.02954	1.5
149.02448	1.3
149.99597	0.6
151.00392	4.6
154.50224	0.5
169.01456	2.0
171.04451	1.6
171.10291	1.5
172.05264	0.9
176.76689	0.6
195.04509	0.5
196.05388	1.2
200.04782	0.6
211.03998	2.5
212.04767	1.1
225.05524	0.7
239.03511	4.3
240.04243	4.0
253.05084	2.9
267.03024	1.5
268.03784	100.0
269.04495	16.4
300.99905	0.7
311.05859	0.7
339.25430	3.9
407.29459	0.7
427.25742	0.5
455.31723	1.9
456.31808	0.6
457.32529	0.7
501.32617	3.7
560.28412	0.8
561.14081	76.3
561.26666	5.0
562.14374	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	559.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28894	0.3
59.01385	11.6
61.98836	100.0
65.51317	0.4
71.01401	0.4
71.57094	0.4
96.96053	0.5
101.13157	0.3
111.08181	0.6
138.01988	0.5
138.17784	0.4
142.68219	0.3
252.39656	0.4
290.06146	0.3
337.24014	1.3
348.68182	0.3
363.66837	0.5
389.28610	0.4
431.17880	0.4
451.28598	0.8
487.34299	0.7
499.30627	0.8
531.33942	0.6
538.79016	0.4
559.27991	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	2.5
59.01385	63.7
61.98852	1.7
69.34628	14.5
71.01387	42.0
72.99319	3.5
73.02939	12.9
83.71255	1.7
85.02958	5.1
87.00870	2.6
89.02451	100.0
96.96011	8.5
97.02963	1.8
99.00893	25.7
101.02454	38.8
107.01414	2.5
113.02482	5.0
118.53440	1.7
119.03495	3.0
123.00919	2.1
125.02477	11.0
125.36968	1.6
131.03503	12.8
143.03537	5.3
149.04568	86.1
161.04527	3.6
169.01416	12.8
191.05621	19.8
221.06662	8.1
231.44815	1.7
251.07744	5.9
260.46558	1.7
293.08670	4.7
300.99875	4.4
302.00067	2.2
311.09796	7.1
452.52817	2.2
453.03757	2.2
559.23669	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	558.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68829	0.7
59.01377	1.5
61.98837	100.0
69.25205	6.3
69.25616	1.9
71.05011	0.9
77.58970	0.8
78.95892	1.4
86.92339	0.8
88.61125	0.8
98.19956	1.9
152.90038	0.9
152.99542	1.6
211.13336	4.3
243.13535	1.0
343.09964	0.8
347.12762	1.2
413.34174	2.8
473.36371	27.4
474.36792	2.6
476.37375	0.9
558.34119	86.0
559.34503	7.8
575.89563	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
59.56956	0.9
61.98578	1.0
61.98834	10.0
71.01386	3.1
71.56280	1.2
73.02965	1.2
79.77558	0.9
84.38838	1.0
85.02966	1.9
87.00913	1.1
89.02443	3.0
101.02444	2.4
105.01986	1.3
108.82576	1.1
113.02474	3.2
125.02425	1.1
149.58099	1.2
160.87958	0.9
206.07285	1.7
207.08101	1.4
208.05222	1.8
209.06090	3.4
233.06105	1.5
234.06787	5.3
235.07587	3.2
237.05515	2.3
263.07138	29.5
285.04105	1.2
337.07205	48.8
337.23862	4.3
379.08310	2.0
487.33371	1.4
499.30594	1.9
501.32327	2.0
559.27582	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	558.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93852	0.2
59.01384	0.2
61.98838	100.0
69.40867	1.0
69.41280	0.3
96.96030	0.5
125.02492	0.4
128.90527	0.2
132.09128	0.2
136.73839	0.2
156.70183	0.2
169.01486	0.3
171.15163	0.2
177.93896	0.2
193.12672	0.2
203.03496	0.2
558.26788	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.97672	0.2
59.01400	0.9
61.98836	100.0
69.31331	1.7
71.01415	0.3
81.94926	0.2
96.96034	0.2
113.02460	0.3
123.00890	0.3
125.02426	0.5
137.02518	0.2
138.02025	0.5
151.00447	0.3
169.01437	0.7
193.95418	0.2
278.38925	0.2
322.99149	0.2
335.22394	0.5
336.22656	1.8
351.37164	0.2
393.80057	0.2
500.22949	0.2
557.98938	0.2
558.26379	1.0
559.27844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.2
59.01387	33.7
60.01715	0.3
61.54652	0.2
61.98836	3.3
65.00343	0.2
67.01907	0.4
68.99841	0.2
69.03462	1.4
71.01391	2.5
71.33893	0.5
72.99310	0.3
73.01249	0.2
73.02959	0.6
78.95924	0.6
79.01922	0.7
81.03432	0.4
83.01394	0.4
85.02944	1.1
86.52418	0.2
87.00902	0.4
89.02464	1.1
91.91315	0.2
95.01390	1.2
96.96014	1.4
96.96997	0.2
97.02964	1.1
99.00885	0.3
101.02433	1.4
107.01408	4.8
107.12875	0.2
108.02164	1.4
109.02963	2.3
111.00897	0.7
111.04643	0.3
113.02488	1.0
119.03517	0.5
119.05078	0.4
121.02972	1.1
123.00904	4.8
123.04551	0.3
124.01676	0.8
125.02460	21.1
126.02799	0.6
127.00414	0.2
133.03026	0.3
135.00922	0.4
136.98856	0.4
137.02448	2.5
139.00403	1.8
139.04030	1.0
140.01144	1.6
141.01967	0.9
145.02972	0.5
145.13504	0.3
149.02504	0.4
151.00385	3.9
152.01164	0.8
153.01964	2.5
161.02469	0.3
161.04553	0.6
163.04030	0.3
163.73180	0.2
165.01997	0.6
165.05626	0.4
166.99965	0.3
167.03485	0.3
168.00630	1.8
169.01443	25.3
170.01784	0.5
175.03935	0.2
177.01935	0.5
179.03549	0.3
191.03487	0.2
197.06082	1.7
203.81735	0.3
211.02448	1.3
213.05650	0.5
215.07140	0.5
221.06824	0.3
241.03493	0.5
242.05894	0.5
243.06653	1.2
253.03717	0.3
271.04620	0.8
279.39651	0.3
285.04160	0.6
297.06601	0.4
300.99930	0.4
312.04797	0.4
313.05652	7.1
313.09351	0.4
314.06104	0.3
335.22305	100.0
336.22629	6.2
349.23816	0.4
365.24533	0.3
403.10129	0.3
405.21570	0.3
422.08536	0.7
449.07285	1.4
466.07507	0.9
497.27539	2.4
521.20367	0.4
557.13116	33.2
557.24200	2.0
557.31750	0.9
558.13470	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	557.224
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02745	0.8
59.01381	6.1
71.01388	2.8
71.57033	1.1
78.95928	1.0
85.02966	1.3
89.02457	2.8
95.01415	1.2
95.78109	0.9
96.96021	13.1
98.95596	4.4
101.02479	1.8
107.01385	4.0
109.02901	0.9
111.00861	1.7
117.02113	1.0
119.69550	0.8
123.00903	8.7
125.02480	16.4
125.93866	0.8
133.10529	0.9
135.04520	0.8
136.98784	1.6
137.02455	1.1
139.00377	3.4
140.01183	2.1
141.01933	1.2
145.02968	3.1
150.03230	1.2
151.00395	6.6
163.04140	1.0
165.01942	0.9
165.05635	1.1
168.00623	6.0
169.01443	28.6
209.04610	1.2
211.02484	20.8
212.02737	0.9
240.19730	0.9
242.99631	0.9
271.04593	19.0
300.99777	1.1
307.08350	1.5
331.07071	0.9
392.19843	0.9
481.17105	2.0
521.16699	2.7
557.22455	100.0
558.22858	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	557.2238
Annotation	Yadanziolide U
Peak:m/z	Relative Intensity
57.03454	1.1
59.01388	4.5
67.01899	0.7
70.01377	1.9
71.01397	2.6
72.99303	0.5
74.40263	0.4
79.01917	0.8
83.01415	0.5
85.02953	1.0
87.00877	0.4
88.98806	0.5
89.02456	1.4
95.01414	2.1
96.96026	1.4
97.02942	0.6
98.19923	0.7
101.02468	1.6
107.01407	4.5
111.00900	2.0
113.02495	0.5
116.97706	0.4
117.36410	0.4
123.00904	11.6
124.01665	0.8
125.02458	17.1
126.02811	0.4
127.00423	0.8
127.90231	0.4
130.19992	0.4
133.02872	0.4
136.96974	0.5
136.98857	1.0
137.02409	1.0
139.00394	3.4
139.16306	0.5
140.01187	2.8
141.01927	1.2
149.09720	1.1
151.00398	8.5
151.03905	0.5
153.01981	0.5
153.09247	0.6
163.04018	0.5
166.02702	0.4
167.03464	0.5
167.10768	0.4
168.00633	4.9
169.01439	22.5
170.01930	0.5
179.03542	0.5
181.04971	0.5
209.04622	0.8
211.02507	11.8
271.04602	10.6
300.99734	1.5
313.05695	1.5
345.54245	0.4
481.17175	1.2
539.21173	1.3
557.22430	100.0
558.22864	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	557.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41972	0.3
59.01383	1.8
65.65008	0.4
67.01878	0.4
69.52312	1.3
69.52742	1.1
70.92831	0.4
71.01392	1.0
75.87242	0.4
79.95747	2.9
80.77589	0.4
85.02957	0.7
89.02448	0.5
95.01443	0.5
96.96020	100.0
101.02438	0.8
107.01352	0.5
109.02968	2.4
123.00890	2.4
124.01750	0.4
124.84527	0.4
125.02467	3.6
139.00418	0.6
141.87926	0.4
151.00426	1.8
152.01205	0.4
153.01961	4.7
165.01907	0.6
168.00664	0.5
169.01425	4.3
185.63219	0.4
189.80122	0.3
195.02968	0.9
199.09769	0.4
211.02432	0.7
255.05075	1.1
269.64645	0.5
271.04709	1.1
292.13974	0.4
300.99905	0.9
459.18759	9.6
459.24829	0.6
460.19260	0.7
521.20325	13.8
522.20831	0.8
557.22723	5.1
558.22961	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.1
64.24133	0.2
65.06283	0.2
66.26102	0.2
67.63217	0.2
68.15351	0.3
71.01377	0.6
72.99313	0.3
79.95747	2.6
82.02657	0.2
85.02950	0.4
89.02495	0.3
89.21066	0.2
95.01367	0.3
96.96022	100.0
97.95984	0.2
98.20655	0.7
98.71672	0.3
101.02433	0.3
101.57149	0.2
107.01417	0.4
117.25231	0.2
119.05058	0.3
123.00903	1.6
124.01584	0.2
125.02470	2.2
137.92648	0.2
139.00346	0.4
140.01201	0.3
145.02896	0.4
147.59933	0.2
150.03323	0.2
151.00383	0.9
159.45956	0.2
165.05588	0.4
168.00729	0.3
169.01436	3.5
178.95645	0.2
211.02545	0.3
271.04333	0.2
300.99954	0.6
307.08353	0.2
313.05670	0.3
435.05890	0.4
452.03400	0.3
459.18805	5.8
516.02795	0.2
539.21875	0.4
546.95764	0.2
557.23041	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	557.1309
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
57.03444	1.7
59.01387	24.1
60.56573	1.5
60.99313	2.3
61.98837	63.7
64.97102	1.6
69.03454	5.6
69.97217	1.6
71.01405	11.2
71.51371	3.1
72.99319	2.1
73.00613	1.7
73.02955	4.0
77.10712	1.6
78.95884	2.0
79.01876	1.9
80.21272	1.6
81.03475	2.1
83.01415	3.0
85.02946	4.9
85.59975	1.5
87.00905	1.8
88.98825	14.8
89.02456	9.2
93.03466	2.0
95.01382	6.2
96.96021	6.3
96.96955	1.9
101.02441	4.3
107.01408	15.6
108.02189	12.6
109.02995	3.7
111.00867	5.2
113.02467	5.2
117.03461	4.7
119.05032	3.5
121.02934	3.5
123.00897	18.4
123.04476	2.2
124.01693	2.6
125.01539	2.7
125.02456	52.4
127.00387	2.4
135.00909	3.6
136.98796	3.7
137.02469	1.9
138.01979	3.1
139.00363	5.1
140.01151	6.0
145.02940	11.1
149.99626	3.2
151.00415	14.0
151.03964	2.8
152.01154	16.5
153.01926	6.1
161.02452	2.2
163.04015	2.7
165.01877	2.3
166.99901	1.7
168.00636	15.2
169.01450	69.4
170.01993	1.9
175.04070	1.6
177.02010	1.8
179.03638	1.9
193.98576	31.9
194.99365	6.7
195.03009	2.3
211.02516	4.6
233.06105	5.0
296.05322	2.2
297.06247	4.5
299.98718	2.0
313.05731	19.0
335.18756	1.8
335.22385	6.1
342.27692	1.7
357.26508	24.0
358.26846	4.8
359.27249	4.0
381.57501	1.6
422.08649	7.8
449.07309	37.2
450.07776	2.0
466.07529	34.7
519.24890	3.1
521.29791	2.7
539.25177	2.8
557.13068	100.0
557.25983	20.5
558.13324	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	556.326
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
71.56628	1.0
80.82775	0.7
82.50737	0.8
86.07275	0.7
97.06621	0.8
135.02486	0.8
147.86943	0.8
218.82019	0.8
263.18988	0.7
304.21487	0.8
391.30209	1.0
407.33337	1.4
451.32260	2.2
453.33621	7.1
470.33078	0.8
471.34680	3.6
474.36172	0.9
556.32556	66.1
557.32861	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	557.1304
Annotation	3,3',4,5'-Tetrahydroxystilbene 3'-O-beta-D-(6''-O-galloylglucopyranoside)
Peak:m/z	Relative Intensity
51.02358	0.3
54.29705	0.3
55.01881	0.4
55.25583	0.3
57.03450	0.4
59.01382	4.8
61.98836	1.9
65.00354	0.3
65.01171	0.3
67.01896	0.8
68.99844	0.3
69.03459	4.1
69.37599	2.3
70.75809	0.2
71.01391	4.2
72.99305	0.6
73.02955	0.7
75.00874	0.3
78.95916	0.7
79.01895	2.5
81.03453	0.7
83.01394	0.9
85.02934	1.5
87.00899	0.7
88.98782	0.3
89.02443	0.6
95.01395	2.6
95.05109	0.2
96.96030	1.2
96.99339	0.4
97.02966	2.7
101.02419	1.8
107.01402	13.8
107.05075	0.3
108.02197	4.5
109.02966	5.5
110.00140	0.4
111.00909	2.3
113.02441	1.6
119.88306	0.3
121.02958	2.5
123.00898	10.7
123.04483	0.7
124.01666	1.2
125.02459	58.2
126.02802	0.9
127.00370	0.8
135.00905	1.1
136.01611	0.3
136.98842	1.3
137.02458	5.5
139.00389	4.5
139.03976	0.4
140.01176	4.1
141.01929	1.2
145.02998	0.6
149.02419	0.5
151.00386	11.0
151.04007	0.8
152.01190	2.1
153.01952	6.3
161.02483	0.4
161.04567	0.3
163.04018	0.5
165.01932	0.5
166.99834	0.5
167.03528	0.8
168.00668	5.6
169.01439	69.5
169.06612	0.9
170.01790	1.6
176.35194	0.2
177.01959	0.8
179.03551	0.5
179.44290	0.3
193.05167	0.4
195.02879	0.5
197.06107	5.1
205.01492	0.4
211.02510	2.6
212.72601	0.3
213.05487	1.4
215.07129	0.8
223.02405	0.4
241.03438	1.5
242.05922	2.0
243.06622	3.6
253.03526	0.9
268.90317	0.3
271.04651	1.1
297.06119	1.0
307.08215	0.4
312.04840	1.0
313.05670	22.6
314.06110	0.9
335.22290	14.0
336.22733	0.6
343.00903	0.6
403.10544	0.7
422.08557	1.7
449.07227	3.1
466.07568	2.0
520.01318	0.3
521.09430	0.7
521.20093	0.5
545.80463	0.3
557.13031	100.0
557.25238	4.1
558.13397	7.6
558.22974	0.4
558.25549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85220	0.4
58.92765	0.3
61.98835	100.0
63.09352	0.4
64.95023	0.5
70.49764	0.4
101.20963	0.4
183.94211	0.4
287.22214	2.9
354.34222	0.5
471.34836	10.4
472.35202	1.4
473.35834	0.6
474.35217	0.6
556.32532	70.9
557.32855	4.9
557.44006	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	556.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52419	0.3
59.44585	0.4
61.98835	100.0
69.74660	1.1
69.75074	0.8
86.36780	0.5
93.36044	0.4
142.74065	0.4
170.87169	0.4
177.14746	0.4
180.14055	0.4
272.08353	0.4
448.83304	0.5
471.34787	17.6
472.34937	1.4
474.35968	1.1
556.32550	74.0
557.32794	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	556.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.7
59.96579	0.5
60.32819	0.4
61.98833	4.4
69.25891	4.1
76.44112	0.4
78.95901	0.9
92.87134	0.4
104.19433	0.5
108.02187	9.4
109.02494	0.5
121.02963	1.1
125.02427	0.6
125.71377	0.4
138.01987	100.0
139.02332	1.4
299.99234	0.5
486.33334	0.8
502.32718	1.2
520.33728	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36173	2.1
55.01857	3.8
57.03442	3.8
59.01385	32.8
61.98837	18.4
69.03456	2.3
71.01389	37.4
71.05050	5.0
73.02953	16.3
75.00911	2.5
78.95900	2.4
83.01401	8.5
85.02964	20.0
89.02453	8.8
89.80547	2.2
96.96028	6.1
99.00877	6.2
99.93491	2.4
101.02459	36.7
111.00886	3.2
113.02472	14.5
121.03013	3.1
123.00883	5.8
125.02452	11.9
131.03500	3.2
132.63576	2.1
135.04510	2.3
137.02454	34.6
145.02972	4.1
151.00362	3.1
159.03088	2.8
159.04449	3.0
160.05276	3.3
161.02507	3.0
161.04549	10.9
161.06058	6.5
168.00658	3.2
169.01445	10.7
173.79613	2.2
189.05553	4.6
205.05142	3.9
211.02409	3.5
214.70050	2.8
228.64413	2.4
263.05603	3.1
268.03827	2.8
269.04453	10.6
271.04361	3.7
286.43268	2.1
313.05783	4.1
333.20679	6.3
355.08319	26.5
356.08493	2.3
363.23877	32.7
465.21512	2.2
495.28140	100.0
496.28452	4.9
517.13452	7.1
554.55713	2.1
555.24249	24.2
571.42511	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	555.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.1
57.03455	2.4
59.01382	18.6
61.98840	16.7
70.72083	5.0
71.01387	24.5
71.69130	1.8
73.02955	12.1
83.01384	4.2
85.02963	11.8
85.03422	1.7
89.02465	10.5
95.01375	2.5
96.95995	4.9
97.02939	3.6
99.00896	7.7
101.02450	25.1
111.00909	2.5
113.02470	13.9
123.00906	2.5
125.02461	6.0
135.04472	1.9
140.74387	2.2
150.32693	1.8
159.02968	2.9
161.04585	8.6
187.09717	2.9
361.79849	2.2
363.23950	26.9
495.28149	100.0
496.28455	8.3
555.24390	6.9
560.24133	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	555.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.5
59.01390	1.8
59.08855	0.4
61.98809	1.2
64.06744	0.3
71.05025	1.7
71.57292	0.5
71.95543	0.4
76.04654	0.3
78.95892	0.4
87.91470	0.3
112.62624	0.3
126.54510	0.4
128.41420	0.4
133.85054	0.4
182.71007	0.4
186.74477	0.4
209.11945	0.7
211.13391	0.7
345.74234	0.4
345.78476	0.4
409.34537	1.1
411.32599	1.0
413.34280	6.7
414.34558	0.8
457.33426	1.2
471.34503	0.5
473.36395	100.0
474.36667	9.0
475.34207	0.5
519.33234	1.3
555.36725	61.8
556.37354	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	555.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73970	0.4
61.98833	2.9
78.95906	0.9
93.92519	0.4
94.25904	0.4
96.96971	1.0
98.19833	0.9
99.92596	9.6
100.92708	0.6
100.93369	3.7
113.92604	0.5
115.92089	100.0
116.92091	2.6
116.92871	3.0
132.92308	1.0
161.52757	0.5
171.23793	0.4
219.17682	0.4
222.19513	0.4
313.66083	0.5
329.89215	0.4
455.35092	1.1
555.27850	64.4
556.28180	6.9
569.25555	1.1
584.08136	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00594	4.8
59.01387	87.4
60.01706	1.6
61.98851	3.3
64.96782	1.8
65.87026	1.7
69.29034	4.6
69.29449	11.6
71.01388	62.7
72.99305	3.1
73.02947	9.4
83.01387	4.1
85.02943	12.1
87.00872	7.0
89.02454	87.7
95.01362	3.4
96.96007	2.2
101.02454	65.7
113.02447	24.2
119.03516	30.2
123.00864	3.6
125.02454	7.1
131.03528	9.0
135.34625	1.8
138.13342	2.0
140.01065	2.5
143.03535	12.5
145.02948	2.8
147.60643	1.7
149.04567	2.0
151.00365	1.8
161.04576	20.8
168.25040	1.7
169.01463	6.6
179.05632	100.0
221.06664	24.6
323.09833	2.1
341.10849	2.1
555.20819	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	555.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	6.1
61.98833	1.8
67.01884	1.5
69.03461	1.4
70.82771	1.0
71.01396	4.6
71.56695	1.4
73.02955	2.9
74.28904	1.0
78.95900	1.6
79.95760	2.7
81.03450	1.1
83.01426	1.0
89.02460	3.3
93.03461	2.3
93.69147	0.9
94.98112	1.1
95.01393	2.2
96.96021	100.0
97.02972	2.4
101.02472	3.6
107.01416	3.4
108.02203	2.9
109.02957	8.1
111.00905	3.9
113.02446	2.3
121.03011	3.5
122.03763	10.4
123.00886	7.1
123.04526	5.5
125.02461	23.1
127.04021	2.1
133.02957	5.0
135.04561	2.8
136.01685	1.6
137.02426	1.5
137.09787	2.2
139.00412	3.9
141.01979	3.3
145.02950	1.7
147.04619	2.3
149.02444	15.5
149.06096	1.2
150.03239	71.4
151.00354	5.2
151.04044	11.2
153.09242	1.3
159.04549	1.8
163.04099	1.5
164.04826	4.6
165.05582	70.1
166.05873	1.2
166.99936	2.2
168.00670	4.1
169.01448	25.9
170.01857	1.2
173.06148	2.0
177.02002	1.0
177.05696	1.5
179.10834	1.3
180.04352	3.2
181.05072	9.6
189.05634	1.5
195.06644	30.6
197.11836	1.9
203.07188	1.7
211.02487	4.9
241.05185	3.3
241.10893	1.8
246.01607	1.8
247.02469	7.7
255.06758	3.1
255.16150	2.3
267.06619	1.3
271.04578	5.7
297.07755	2.9
299.09274	3.8
300.99930	2.4
302.00354	1.1
311.09399	1.6
313.05884	3.3
313.10782	4.7
327.12628	1.1
329.10303	2.2
331.06601	1.2
343.12497	1.1
344.12634	8.3
345.13565	1.3
359.10654	2.0
359.15002	25.1
403.16312	1.7
409.07773	1.5
430.85782	1.2
447.14850	2.7
457.17114	8.4
461.15921	5.5
477.15991	2.3
492.17706	1.1
507.20248	70.2
508.20566	6.0
511.18417	1.2
537.20020	1.6
555.10260	1.8
555.21307	38.0
556.21832	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	555.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03477	0.5
59.01384	7.7
61.98844	2.8
67.01903	0.8
71.01391	3.3
71.57759	1.0
72.99329	0.8
73.02943	0.7
78.95930	0.6
79.01865	0.6
83.01396	0.9
85.02954	1.9
89.02469	1.9
93.03484	1.6
95.01385	0.7
96.96007	1.9
97.02964	0.5
97.67993	0.6
99.00936	0.9
101.02456	1.9
103.04017	3.1
107.01392	3.1
111.00896	2.3
113.02478	1.3
117.03458	1.7
119.03474	0.7
119.05036	1.3
121.03001	1.0
122.03750	1.3
123.00900	4.7
123.04546	0.8
124.01693	1.8
125.02459	23.4
127.00409	1.2
136.98849	1.6
137.02437	1.4
139.00394	2.4
139.04002	0.6
140.01199	2.8
141.09245	0.9
145.02931	4.3
149.02470	2.6
150.02141	1.0
150.03238	7.5
151.00331	2.8
163.03961	3.3
164.04877	0.6
165.01996	0.9
165.05586	9.9
167.03502	2.1
168.00656	14.9
169.01442	37.8
170.01836	0.6
171.43199	0.6
174.01700	7.1
180.04240	0.7
193.01537	0.6
195.06625	5.4
207.10333	0.6
211.02496	64.0
212.02826	1.8
229.08487	0.7
241.03529	1.3
247.09399	1.2
271.04608	100.0
272.04895	3.0
281.98499	0.6
300.99915	1.8
313.11026	0.7
325.11029	0.6
329.13916	1.9
331.06726	21.0
341.14029	0.7
369.15601	2.0
507.19849	0.8
519.18732	49.2
520.19250	3.8
555.18359	2.1
555.26031	5.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06490	3.1
59.01382	21.7
59.77761	2.6
61.98826	12.6
64.11171	2.6
69.35094	7.5
69.35503	18.0
71.01382	12.3
73.02964	4.7
75.00870	2.8
77.01156	3.3
79.05594	2.5
85.02938	7.0
86.64948	2.8
87.00892	5.0
88.89574	3.1
88.98824	4.7
89.02460	9.3
89.88092	2.5
95.01390	5.8
96.96007	30.9
101.02457	7.8
103.04061	4.1
107.01398	12.6
109.03016	5.0
111.00936	7.4
113.02470	3.9
119.03539	3.1
119.05032	19.0
121.02957	5.4
123.00906	24.0
123.04531	4.8
124.01640	4.4
125.02459	54.5
137.02428	8.2
137.33754	2.7
139.00372	10.3
140.01166	6.2
149.02443	9.4
150.03273	5.1
151.00377	9.2
151.04016	3.8
155.53601	2.7
161.02483	2.8
163.04086	19.5
165.02031	3.5
165.05583	8.1
165.79640	2.8
166.06416	8.1
168.00633	11.0
169.01421	79.9
170.01770	4.3
181.01505	3.3
181.08655	5.7
200.68155	2.7
200.73123	4.0
203.03557	5.8
211.02484	51.8
241.10925	4.5
247.02478	12.3
269.04654	5.4
271.04565	56.5
300.99924	8.1
311.09186	2.8
313.05661	5.5
331.06696	12.0
333.20898	7.7
357.09686	5.8
373.13129	3.5
403.16119	3.6
519.18860	28.8
537.19513	14.2
555.21021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	22.4
61.98822	0.4
70.87235	0.7
77.61072	0.4
78.95913	19.1
122.98571	0.5
152.99640	2.9
168.04321	3.2
224.06981	6.9
233.71268	0.3
242.08008	1.3
242.15826	0.3
252.62663	0.3
255.23314	100.0
256.23636	4.0
300.99719	0.4
347.38190	0.3
468.69638	0.4
472.35089	1.2
480.30975	61.0
481.31311	4.1
554.35779	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06490	3.1
59.01382	21.7
59.77761	2.6
61.98826	12.6
64.11171	2.6
69.35094	7.5
69.35503	18.0
71.01382	12.3
73.02964	4.7
75.00870	2.8
77.01156	3.3
79.05594	2.5
85.02938	7.0
86.64948	2.8
87.00892	5.0
88.89574	3.1
88.98824	4.7
89.02460	9.3
89.88092	2.5
95.01390	5.8
96.96007	30.9
101.02457	7.8
103.04061	4.1
107.01398	12.6
109.03016	5.0
111.00936	7.4
113.02470	3.9
119.03539	3.1
119.05032	19.0
121.02957	5.4
123.00906	24.0
123.04531	4.8
124.01640	4.4
125.02459	54.5
137.02428	8.2
137.33754	2.7
139.00372	10.3
140.01166	6.2
149.02443	9.4
150.03273	5.1
151.00377	9.2
151.04016	3.8
155.53601	2.7
161.02483	2.8
163.04086	19.5
165.02031	3.5
165.05583	8.1
165.79640	2.8
166.06416	8.1
168.00633	11.0
169.01421	79.9
170.01770	4.3
181.01505	3.3
181.08655	5.7
200.68155	2.7
200.73123	4.0
203.03557	5.8
211.02484	51.8
241.10925	4.5
247.02478	12.3
269.04654	5.4
271.04565	56.5
300.99924	8.1
311.09186	2.8
313.05661	5.5
331.06696	12.0
333.20898	7.7
357.09686	5.8
373.13129	3.5
403.16119	3.6
519.18860	28.8
537.19513	14.2
555.21021	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	86.9
78.95912	1.3
79.82472	0.8
82.24371	0.8
98.20650	1.7
102.97016	0.7
106.27512	0.7
114.65945	0.7
147.93130	0.7
163.81392	0.7
164.70251	0.7
279.23254	1.4
306.11639	0.8
393.28226	1.3
407.29529	1.2
409.31091	0.9
423.32748	37.6
424.32922	3.1
425.34177	1.8
426.33459	1.2
469.33228	18.0
470.33948	3.4
470.40442	0.8
472.35101	7.6
504.31076	1.6
554.30902	100.0
555.31238	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48208	0.5
57.13503	0.5
59.01363	1.1
61.98833	4.4
70.77225	0.8
70.77570	0.9
78.95915	4.8
96.96018	0.5
103.23891	0.5
145.17613	0.6
152.99643	0.8
168.04309	1.6
224.06917	1.0
234.48106	0.5
242.08041	3.1
279.23294	100.0
280.23575	3.9
300.99741	0.7
301.87280	0.5
454.34271	1.2
472.35083	2.1
504.30994	32.8
505.31049	2.1
554.31073	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	553.3517
Annotation	Muscanone
Peak:m/z	Relative Intensity
59.01393	0.8
60.99311	0.5
61.98832	2.5
66.54397	0.6
69.32269	5.4
94.37453	0.6
96.95996	0.6
97.06596	5.7
127.47433	0.7
148.23213	0.6
178.42233	0.5
181.96846	0.6
185.67805	0.7
191.14485	0.6
255.62781	0.6
313.24203	0.6
325.24701	0.6
351.34070	0.6
389.28790	0.8
391.30209	6.5
405.31677	4.7
407.33255	12.4
408.33710	1.3
423.29022	1.5
425.34503	0.9
437.30484	0.8
439.32211	0.9
441.33817	2.0
451.32263	14.4
452.32462	1.6
453.33798	70.6
454.34091	5.2
471.34866	71.5
472.35114	6.6
553.35175	100.0
554.35889	9.2
558.48981	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00423	0.8
59.01355	0.7
61.98829	1.8
69.74469	1.3
69.74870	3.6
71.05045	0.8
78.95901	0.9
97.06595	5.7
98.20625	1.2
98.75705	0.6
112.71445	0.6
118.36880	0.7
121.74245	0.7
169.01343	0.8
176.52417	0.7
178.03354	0.7
182.07071	0.6
210.54190	0.6
344.85995	0.6
348.17010	0.6
355.26685	1.0
389.28494	1.8
391.30035	7.5
403.29871	0.7
405.31598	6.5
406.31400	0.7
407.33261	13.9
408.33231	1.1
420.86523	0.6
423.28732	1.6
427.60181	0.6
437.30695	1.1
439.32129	2.2
441.33920	4.0
451.32224	16.5
452.32593	1.6
453.33771	80.3
454.34106	7.6
471.34869	44.3
472.34875	3.3
477.61951	0.7
497.33368	0.8
517.59723	0.7
553.35168	100.0
554.35480	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	553.323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36387	2.5
55.59505	2.6
57.03450	2.9
59.01382	67.2
61.98820	10.5
64.17301	2.3
66.02482	3.0
71.01014	3.1
71.01385	45.4
71.56300	2.7
71.56986	3.0
72.99260	3.6
73.02943	17.4
83.01411	17.2
85.02956	23.0
89.02425	6.4
96.95999	2.6
99.00895	7.8
101.02454	48.3
111.57698	2.4
113.02454	16.6
125.02441	7.2
127.10465	2.4
143.03375	2.5
159.02911	3.9
161.04575	8.3
256.33896	2.5
300.99802	5.3
347.20142	4.3
347.24384	85.3
493.30225	100.0
494.30664	6.5
553.31360	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	553.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	0.7
59.01120	0.6
59.01384	9.3
61.98836	11.4
65.00302	0.8
67.01897	10.0
68.99798	0.7
69.03426	0.7
70.08550	2.5
71.01387	6.1
72.99309	1.0
73.02944	1.9
75.00832	0.6
78.95896	1.1
79.01875	1.9
81.03387	0.6
83.01363	1.0
83.04976	0.9
85.02943	2.7
87.00885	1.5
89.02435	2.7
94.87640	0.6
95.01394	3.1
95.04920	0.7
96.95985	1.9
97.02921	1.9
98.19979	0.7
99.00863	0.8
101.02467	4.3
107.01381	5.8
110.00105	0.6
111.00901	18.0
113.02424	1.7
117.03434	1.7
119.04993	2.6
121.02899	0.8
122.99999	1.2
123.00893	19.5
124.01690	1.1
125.02459	21.8
127.00407	1.4
127.03962	0.9
135.04520	1.9
136.98770	2.2
139.00394	7.6
139.07703	0.9
140.01199	4.7
141.01897	2.2
145.02905	2.6
151.00374	12.5
151.03961	1.2
153.01898	1.3
163.03969	1.9
165.05525	0.8
166.99786	0.9
168.00673	4.3
169.00035	1.2
169.01448	23.3
179.03369	1.0
185.02165	1.8
211.02440	1.9
217.12299	0.7
235.13268	1.4
279.98770	0.6
282.05646	0.7
285.03909	1.6
286.04135	1.8
287.04477	1.5
303.20520	0.7
311.05502	1.3
313.05750	0.9
353.23129	1.3
355.24881	6.8
422.08478	1.8
441.17691	17.9
442.17999	1.5
493.26761	0.9
515.24445	0.8
517.25848	1.3
553.19080	100.0
554.19354	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	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	3.0
59.38248	0.8
61.98830	3.1
65.49583	0.7
78.95912	7.9
89.25485	0.8
96.95977	0.9
98.20692	1.1
152.99561	1.2
168.04340	2.2
224.06886	1.0
242.07974	3.0
277.21738	100.0
278.22086	5.1
300.99820	1.1
502.29523	33.9
503.29730	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	553.193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.0
58.00583	1.0
59.01386	13.7
61.69193	0.9
61.98837	14.9
67.01893	9.6
69.03431	1.0
69.36317	2.5
69.36748	4.3
71.01396	8.7
72.99274	2.0
73.02969	4.2
78.95892	0.9
79.01862	2.9
83.01379	2.4
85.02956	5.3
87.00854	2.2
89.02425	2.8
93.03452	1.0
95.01373	3.9
96.95980	2.9
97.02922	1.1
99.00852	2.2
101.02435	5.6
103.27213	0.8
107.01405	5.3
111.00189	1.5
111.00889	21.0
113.02449	2.2
116.92842	2.2
117.03414	1.3
119.04968	2.9
121.78393	0.8
123.00903	24.1
124.01640	2.3
125.02464	25.6
135.04446	1.5
136.98753	2.8
137.02434	2.0
137.09674	1.8
139.00395	8.7
140.01135	6.7
141.01862	2.5
145.02869	1.1
149.02414	1.2
151.00381	13.5
153.01891	2.2
155.10690	3.0
163.03929	3.1
168.00693	5.4
169.01431	24.8
185.02216	1.1
195.06461	1.1
211.02519	1.5
245.07870	1.0
253.14273	1.4
300.99759	1.3
313.05621	1.1
328.78131	0.8
331.19122	10.4
355.24628	4.2
361.21878	1.0
421.05219	1.5
441.17673	19.6
442.17621	1.8
468.50827	1.0
493.26364	1.8
507.34854	3.0
515.24292	3.2
553.18903	100.0
554.19305	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	552.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06379	0.7
51.96887	0.9
56.84585	0.7
59.01379	3.5
61.09123	0.8
61.98836	3.5
65.01543	0.7
67.13326	0.7
71.01385	1.1
71.13226	1.9
78.95913	28.1
96.96033	0.9
131.42531	0.9
136.43280	0.8
152.99617	4.0
155.39409	0.8
168.04378	3.6
224.06952	12.5
242.07944	2.6
253.21820	1.8
259.20737	0.9
277.21747	100.0
278.22202	4.5
471.34744	3.4
502.29456	80.4
503.29938	5.1
552.34473	0.9
553.35114	1.5
578.57953	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01984	0.1
51.42986	0.2
54.36059	0.2
58.17651	0.2
59.01381	0.8
60.89649	0.2
61.98837	100.0
69.29529	1.6
71.01389	0.3
85.02962	0.2
87.04528	0.2
93.03497	0.2
96.96030	0.5
98.19852	0.4
101.02422	0.3
107.05902	0.2
121.03005	0.3
125.02480	0.6
137.02472	0.4
139.04042	1.2
140.04364	0.4
145.02972	0.4
153.02020	0.3
155.10808	0.5
161.02425	0.4
165.02008	0.3
165.05560	0.2
168.00697	0.4
169.01463	0.8
176.04814	0.2
178.70703	0.2
179.03529	0.6
183.03081	0.3
191.07195	0.2
194.05832	0.5
199.09834	0.4
204.06619	0.2
209.08191	1.1
271.73663	0.2
283.12027	0.2
285.04068	0.3
300.99881	0.3
517.26617	0.2
552.17871	0.3
552.25598	0.3
553.16974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95784	0.4
52.32236	0.4
59.01384	4.3
61.98839	100.0
71.01385	2.1
71.58184	0.5
73.02941	0.8
78.95940	0.5
79.04082	0.4
85.02969	0.8
87.00874	0.4
87.04525	1.0
89.02468	1.6
95.01429	0.5
96.96042	1.3
101.02483	1.3
101.82658	0.4
107.01414	0.6
111.00906	0.4
113.02489	0.7
117.03474	1.0
119.05065	0.6
121.02933	0.6
123.00909	2.5
123.04537	0.5
125.02478	4.6
126.02878	0.8
129.46344	0.5
133.03027	0.9
134.03313	0.6
135.04564	1.1
137.02435	0.8
138.02068	0.6
139.00401	0.9
140.01178	0.4
145.03009	1.5
150.03282	0.6
151.00407	0.9
153.01898	0.6
153.09250	0.7
161.02461	3.8
162.02820	1.6
163.04068	0.6
168.00717	1.0
168.04202	0.5
169.01451	3.9
170.01790	0.5
173.74350	0.4
179.03624	1.2
183.06758	1.1
209.12128	0.5
211.02611	0.6
266.26593	0.4
271.04834	0.6
301.00116	0.9
307.08224	0.4
331.19669	0.4
400.20520	0.4
454.98642	0.4
514.58704	0.4
552.21106	11.3
553.23877	1.3
563.07275	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62964	0.5
53.15544	0.5
56.52510	0.5
59.01371	0.7
61.67400	0.5
61.98817	0.9
69.25348	4.7
71.05001	0.9
88.04856	0.5
90.66147	0.4
96.95971	1.7
106.40270	0.5
116.00169	0.6
152.99527	0.5
190.14400	0.5
377.52222	0.7
405.31421	1.4
469.33234	100.0
470.33557	8.6
529.87311	0.5
549.39117	0.5
551.33588	60.4
552.33911	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	551.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29266	0.4
57.03446	0.9
59.01387	0.5
61.65572	0.3
61.98835	2.2
63.47876	0.4
63.58257	0.4
65.40133	0.3
66.05618	0.4
70.12214	0.8
70.12594	1.4
83.05019	0.4
85.36503	0.4
96.96021	0.8
166.48250	0.4
173.45657	0.4
217.95345	0.5
219.40706	0.5
238.14470	0.4
289.21796	0.7
391.26181	0.7
393.27893	2.4
407.29568	3.0
409.31143	3.5
421.31073	0.6
423.32718	77.6
424.33121	7.0
425.34171	6.5
426.34357	0.6
469.33243	100.0
470.33591	8.9
551.33582	61.3
552.33966	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	551.3005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13445	0.5
59.01340	1.1
59.69694	0.5
61.12160	0.5
61.98791	1.4
69.25019	1.8
69.25435	4.0
71.04957	1.0
90.62697	0.6
96.95965	1.3
100.33966	0.5
111.14138	0.6
126.96636	0.7
146.41273	0.6
405.31506	1.5
410.68936	0.6
469.33246	100.0
470.33658	7.0
551.33624	61.6
552.34021	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	551.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.94503	0.4
59.01376	2.5
65.52944	0.4
71.01413	2.1
71.01723	0.4
73.02943	0.5
73.20474	0.4
74.43490	0.3
76.05020	0.3
78.53530	0.4
85.02960	0.9
89.02456	0.5
93.03468	0.7
96.96018	3.5
98.19755	0.7
101.02452	1.1
107.01410	0.9
113.02493	0.8
119.05023	0.8
121.02978	3.2
123.00912	2.1
124.01706	0.5
125.02469	5.0
135.04578	0.4
136.05389	0.5
137.02455	2.2
138.03244	0.7
139.00401	1.1
140.01195	0.4
145.02972	1.8
147.04503	1.9
151.00388	1.6
153.01945	0.6
153.05547	0.5
159.03140	0.4
159.04549	0.7
161.02463	0.7
161.04568	0.6
161.06070	0.4
162.03340	0.4
163.04022	5.2
165.01920	0.9
165.05594	0.5
165.92943	0.4
168.00664	1.0
169.01440	7.3
170.01810	0.6
173.02397	0.7
174.03264	2.7
175.04012	14.6
176.04787	3.2
177.05566	1.6
179.03519	0.8
180.04295	7.5
181.04892	0.6
188.04836	2.5
189.05571	6.6
190.06372	18.9
191.03532	0.6
191.07155	14.1
192.04279	0.8
193.05067	8.5
193.71632	0.4
194.05853	4.9
195.06569	0.5
203.07085	2.1
205.08717	16.5
207.06647	5.6
208.07434	14.2
209.04668	0.4
211.02527	0.6
222.09016	2.1
223.09729	1.3
242.25839	0.4
271.04474	0.8
299.09277	0.6
300.99942	1.3
311.09402	0.7
313.05634	0.5
327.12146	0.5
329.10211	0.6
331.06799	0.9
344.12723	4.2
357.11710	0.4
359.15030	100.0
360.15366	6.2
371.14972	0.7
389.16187	2.4
403.12460	8.2
551.10168	1.0
551.18140	0.5
551.22217	0.4
552.11237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43947	4.0
54.68749	4.4
57.03439	5.2
57.11518	4.8
59.01390	28.1
61.98860	24.5
61.99117	5.6
68.99572	18.8
69.24863	16.9
69.25292	27.6
71.01387	9.9
72.05833	4.2
74.28232	4.2
90.73432	4.6
95.01358	5.7
107.01433	7.6
112.98587	26.4
113.02444	6.3
123.00908	18.0
125.02482	28.2
133.02936	8.2
139.00380	5.5
145.02960	7.8
151.00365	19.3
168.00670	5.1
169.01472	37.5
204.44151	5.8
285.00937	7.4
285.04071	100.0
308.85666	4.9
315.64755	4.8
339.90967	5.0
379.46506	4.9
389.19550	21.4
515.25012	59.0
551.20197	42.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	24.8
60.16600	2.4
60.69962	2.5
61.98841	23.9
67.55470	2.4
68.99586	7.2
70.97899	6.8
71.01393	5.4
71.99566	2.3
85.02966	2.9
101.02480	4.4
107.01402	5.0
111.00938	2.6
112.98615	6.4
113.02484	3.0
119.05010	3.0
119.94069	2.5
123.00912	15.5
125.02452	17.4
133.02985	8.4
139.00417	3.5
140.01173	2.4
145.02983	5.3
147.04507	4.6
149.02483	2.6
151.00415	16.3
151.06007	2.5
163.04036	3.7
168.00551	3.1
169.01456	29.1
175.03999	4.0
189.05603	3.4
211.02390	3.7
220.54912	3.2
235.06065	3.3
262.30127	2.4
265.07205	4.1
273.70349	2.4
285.00909	5.5
285.04068	100.0
286.01453	2.7
286.04358	5.1
297.03995	2.6
313.05618	3.5
339.11337	2.6
343.58167	3.0
353.23611	3.7
389.19489	18.1
394.14288	2.7
515.24957	52.7
551.21381	27.6
552.20612	5.2
552.97290	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	551.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70128	1.8
56.20902	2.0
59.01382	7.2
71.01394	5.0
71.56779	2.7
76.81082	2.5
80.07233	1.9
81.85294	2.0
85.02976	3.0
93.03456	2.6
95.01404	2.7
96.96026	5.1
97.02990	2.0
101.02485	4.2
111.00916	2.6
113.02456	6.6
121.02967	27.1
122.03757	7.3
125.02441	8.7
132.02158	5.3
133.02988	8.4
134.03760	43.3
135.04526	4.0
137.02449	5.2
145.02968	4.4
147.04578	2.8
149.02469	25.6
149.06107	12.9
150.03246	73.7
151.03940	2.5
152.93677	2.1
160.01620	12.8
161.02451	3.3
163.03967	3.0
164.04785	3.6
165.01942	21.9
165.04163	4.7
165.05577	69.1
169.01453	9.0
175.02495	2.9
175.03990	20.5
176.04791	5.8
178.02748	20.3
179.03409	2.9
180.04326	5.7
191.07124	5.7
193.05086	100.0
195.06639	57.1
196.06953	2.6
207.03079	2.8
235.06075	9.6
239.07187	4.1
250.06235	2.7
267.06693	2.3
275.02118	2.2
282.09000	7.6
300.99896	7.3
341.10303	47.1
360.37894	2.0
383.11423	4.5
385.93118	2.2
389.12363	22.3
390.12524	2.8
551.06519	2.6
551.15112	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	551.1776
Annotation	Isohaenkeanoside
Peak:m/z	Relative Intensity
57.05679	0.7
59.01377	3.6
60.37547	0.7
68.98513	0.8
71.01390	3.5
71.56513	0.9
73.02950	1.9
75.00877	1.5
85.02981	1.7
89.02446	1.3
95.01435	1.0
96.96004	4.1
98.95610	1.9
101.02455	1.7
107.01443	0.9
111.00902	0.9
113.02469	1.6
114.22378	0.8
117.03482	24.2
119.03609	1.0
119.05038	16.0
121.02965	1.1
123.00860	2.0
125.02448	4.2
133.02948	1.4
134.03719	3.8
135.04503	1.2
137.02432	6.7
137.25920	0.8
139.04039	1.2
145.02966	100.0
146.03317	1.4
147.04468	1.1
149.02528	1.5
149.06097	1.6
150.03279	2.9
153.01988	0.9
161.02458	3.0
161.06100	1.4
163.04016	13.6
165.01939	38.2
165.05608	2.7
166.02332	1.0
166.99835	0.9
169.01427	3.0
172.59242	0.8
175.04012	1.2
178.02747	0.8
180.04305	27.1
181.01414	1.4
181.04964	2.7
187.04053	1.8
193.05159	4.3
195.06642	47.8
196.06912	1.6
205.05124	1.0
210.05389	0.8
231.02948	1.1
243.08853	1.5
245.00848	1.3
247.06139	1.5
277.03601	2.8
301.00012	2.2
307.08249	78.1
308.08582	3.2
312.79562	0.8
341.10257	0.9
389.12497	3.0
453.03799	1.3
472.93417	0.9
533.08881	1.1
551.10284	3.7
551.17792	27.5
551.30792	1.1
552.18060	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	4.9
59.79820	1.5
62.27347	1.4
62.95119	1.3
63.56470	1.2
70.71206	2.7
70.71541	2.1
71.01388	4.8
72.99345	1.3
82.60032	1.5
85.02931	2.1
87.00893	2.7
93.03471	5.1
95.01412	1.5
97.65722	1.3
101.02437	2.5
101.09599	1.5
113.02454	7.6
117.03534	1.7
121.02975	39.9
122.03784	8.1
123.00891	1.6
125.02460	5.6
126.08656	1.6
132.02180	2.9
133.02956	3.2
134.03763	41.7
135.04523	5.4
137.02435	5.2
139.04016	2.0
145.02979	3.0
147.04489	3.5
149.02452	21.6
149.06120	9.2
150.03244	63.0
151.03957	2.7
160.01700	14.3
161.02354	2.5
162.03212	5.0
163.04050	8.4
164.04761	5.8
165.01927	26.7
165.05583	74.6
169.01421	6.3
175.04001	17.9
176.04686	2.6
177.01974	1.9
178.02718	23.3
179.03487	7.3
180.04277	4.6
191.07083	3.4
193.05067	100.0
194.05424	2.9
194.99443	1.6
195.06633	53.2
196.06886	1.8
197.91376	1.6
203.65569	1.3
206.02164	3.5
207.03043	6.8
233.06126	1.6
235.06004	8.2
248.03279	1.6
250.06352	3.2
267.06616	3.0
273.00513	2.5
282.08963	10.7
298.64542	1.7
300.99911	4.6
304.83444	2.0
323.07788	2.0
336.59961	1.8
341.10315	51.0
342.10611	2.0
355.10867	2.4
361.50931	1.5
383.11319	4.9
389.12436	28.3
390.12885	1.9
406.46008	1.6
431.13574	2.8
463.08908	1.9
551.06763	6.1
551.13953	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	551.1199
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
54.07048	0.2
59.01383	1.7
61.98835	7.4
63.02396	0.3
65.00330	0.7
68.99559	1.0
69.89273	1.1
71.01383	0.2
76.28858	0.2
78.92152	0.2
82.49046	0.2
83.01392	0.7
89.02447	0.2
96.96023	0.6
101.02438	0.4
105.03487	0.2
107.01407	1.6
112.98563	1.2
114.95199	0.2
116.48924	0.2
120.99651	0.2
121.02916	0.5
122.06113	0.3
123.00948	0.5
125.02450	1.3
133.02962	8.8
137.02394	0.2
139.00438	0.2
140.29036	0.2
149.02451	1.7
151.00381	5.1
161.02541	0.3
168.00687	0.3
169.01456	2.8
171.04546	0.3
171.27518	0.2
175.04012	2.7
197.06085	0.3
198.03291	0.4
199.04013	2.3
201.02000	1.0
206.33087	0.2
212.66425	0.2
213.05411	0.3
215.03625	0.4
217.05055	1.3
229.05055	0.3
241.05095	0.9
243.02989	0.5
257.04532	0.4
267.03082	0.3
284.03342	0.4
285.04068	100.0
286.04416	4.0
345.29947	0.2
398.96545	0.2
407.94489	0.3
429.07944	0.2
551.11279	0.4
551.25104	1.3
561.47992	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3388
Annotation	Unknow
Peak:m/z	Relative Intensity
61.62540	0.6
61.98835	100.0
67.22602	0.6
71.56799	0.6
99.43736	0.6
207.67827	0.6
238.23906	0.6
240.25175	0.6
251.91382	0.7
295.49631	0.6
370.12619	0.7
535.89960	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1203
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
55.01882	0.4
59.01392	3.7
59.96105	0.3
60.99328	1.7
61.98534	0.4
61.98836	5.1
63.02401	0.5
65.00327	1.1
70.15612	0.3
71.01399	2.2
73.02963	0.7
75.10365	0.3
75.71603	0.3
83.01402	1.0
83.05054	0.3
83.76867	0.3
85.02964	0.8
87.00898	0.6
88.98822	10.9
89.02452	1.6
93.03471	7.1
95.01408	0.6
96.96029	2.6
96.96962	0.4
98.95588	0.5
101.02439	1.7
107.01395	2.5
113.02483	0.4
117.03461	6.6
117.04285	0.4
118.18741	0.3
119.05061	0.5
121.02966	1.0
123.00931	1.4
123.04568	0.3
125.02479	1.9
125.03283	0.3
126.94263	0.3
127.04025	0.8
133.02972	1.4
135.04518	1.0
136.01707	0.7
137.01459	0.6
137.02461	7.3
139.00395	0.6
139.07712	0.4
140.01187	0.4
140.38857	0.3
141.01991	0.3
145.02960	1.1
147.04562	0.5
149.02455	4.6
151.00366	6.5
153.17702	0.3
159.04536	1.2
161.02460	4.8
163.04015	0.8
165.05554	0.3
167.03503	0.3
168.00667	1.1
169.01450	2.4
179.03540	1.3
181.06601	1.1
183.03029	0.4
183.04559	1.0
186.01996	2.0
187.02779	0.7
197.06163	0.4
201.05598	1.3
211.02435	0.3
218.04613	1.4
225.05641	2.7
227.03487	1.0
239.05582	0.4
268.03751	2.7
269.04572	100.0
270.04898	4.1
281.06784	1.6
309.08929	0.8
311.05692	0.9
327.09894	2.4
341.11526	0.5
353.23322	0.6
389.19714	0.6
463.68591	0.3
491.33185	0.3
515.24756	3.1
515.31750	0.5
533.19482	0.4
551.11963	47.0
551.25165	5.8
552.12250	4.0
552.25568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.9
61.98837	100.0
70.57701	0.5
70.58031	0.4
72.40092	0.3
78.95922	0.3
98.19916	0.4
104.18781	0.4
182.56316	0.3
469.33435	0.9
490.35858	0.4
551.33911	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86825	4.6
59.01383	5.4
61.98836	100.0
70.97945	11.6
84.37538	4.6
99.07059	4.3
116.16856	5.4
200.62599	4.6
242.69534	5.0
367.54782	5.9
411.45609	4.8
550.30267	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	550.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.6
61.98838	100.0
71.57258	0.8
71.58245	0.6
74.37847	0.6
120.05111	0.6
129.15103	0.6
160.79222	0.6
185.25673	0.6
201.88673	0.6
248.87386	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.339
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.3
61.98530	7.6
61.98837	100.0
63.82454	3.7
64.10009	4.4
68.73342	3.8
69.29041	22.9
69.29446	11.4
82.80353	4.1
98.20707	6.0
121.02988	9.8
145.03011	6.8
228.10706	4.7
345.99289	3.7
551.32233	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	550.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	19.7
60.01698	1.6
61.98834	29.3
69.09045	1.4
71.01382	8.0
71.57375	2.3
73.02956	2.5
75.00866	1.6
83.01420	2.1
85.02981	3.4
87.00909	1.6
88.98799	2.9
89.02467	3.9
91.96301	1.3
93.03463	2.2
95.01400	2.1
95.05027	1.3
96.96024	9.0
96.96964	1.7
97.02984	1.5
100.15083	1.5
101.02459	2.8
107.01378	1.9
109.02934	2.7
111.00904	2.6
113.02450	2.5
117.03484	5.3
119.05039	14.1
121.02965	6.2
123.00909	15.6
124.01651	1.6
125.02470	20.0
133.02957	5.0
135.04568	2.5
137.02463	5.4
139.00389	5.6
139.04024	8.1
140.01126	4.3
141.01888	2.7
145.02971	12.6
150.03241	7.3
151.00394	10.5
160.04057	2.8
161.02463	13.6
161.09691	1.4
163.04053	9.3
164.20644	1.6
165.01974	6.6
165.05579	4.5
168.00635	4.5
169.01457	22.4
177.05772	1.5
179.03497	2.6
183.02988	3.1
183.06613	1.8
209.08167	1.3
211.02489	2.8
217.01413	1.9
223.01962	1.5
271.04510	3.3
285.04199	2.2
286.04333	1.9
300.99802	8.3
343.04639	2.3
466.45386	1.4
487.21887	100.0
488.22308	9.1
533.23865	3.9
550.24414	10.2
551.11017	2.8
551.23743	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	549.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
65.85159	0.1
71.01381	0.5
71.57628	0.2
78.95918	2.9
79.95755	2.5
85.02961	0.3
89.02458	0.4
95.01425	0.1
96.26638	0.2
96.96024	100.0
96.96912	5.1
97.02948	0.2
97.95934	0.2
101.02464	0.3
113.02439	0.2
113.95045	0.2
117.03507	0.3
119.05066	0.3
125.02422	0.4
145.03008	1.0
154.02533	0.2
163.00371	0.4
163.04059	0.3
169.01486	0.5
178.02768	0.6
179.10815	0.6
181.01436	0.5
181.07269	0.2
181.91283	0.2
183.06570	0.3
188.37100	0.1
193.01376	0.3
193.05135	0.7
196.03775	0.6
197.56775	0.1
208.03819	0.4
211.06104	1.6
217.74486	0.2
223.06117	1.1
226.04846	0.2
241.07187	1.4
249.04190	0.2
307.08310	0.7
375.21570	0.2
387.16385	0.3
549.17700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66224	3.7
65.14095	3.7
71.01372	5.0
71.56304	6.2
77.14938	3.1
83.01381	5.6
83.05028	4.5
93.03459	14.4
96.96015	15.9
101.02436	4.7
107.01398	9.4
109.02982	5.7
111.00868	6.3
111.04539	18.8
123.00875	16.1
125.02474	36.4
137.02466	6.0
139.00357	6.4
141.01941	5.9
151.00377	11.9
155.03474	13.1
168.00667	5.4
169.01448	72.9
173.04506	7.4
185.15358	3.5
190.38982	3.2
211.02446	13.5
247.02441	4.4
273.00427	3.4
274.48547	3.6
300.99841	12.0
313.05682	7.5
331.06732	27.4
406.44327	3.6
469.09875	30.6
487.10904	100.0
488.11606	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	549.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00577	4.2
59.01385	96.2
61.98835	43.8
66.14585	3.8
67.01871	5.5
69.23708	39.4
71.01392	41.2
72.99319	5.3
73.02948	8.0
83.01385	4.3
85.02968	21.6
87.00891	5.0
88.98831	6.4
89.02461	26.5
93.03460	5.9
96.96014	37.1
96.96954	6.1
97.02925	4.1
97.06573	5.5
98.19915	6.5
99.00896	10.3
99.92578	7.2
101.02444	30.5
107.01389	7.5
111.00859	11.4
113.02464	12.6
116.92873	63.6
117.03446	11.2
117.57179	3.7
117.92854	4.0
119.03522	8.0
119.05073	28.3
121.02958	8.4
123.00899	9.9
124.01721	4.9
125.02478	34.6
131.03497	7.3
133.02951	17.4
135.04491	12.8
137.02466	4.9
139.00456	7.5
143.03519	4.4
145.02936	20.7
149.04549	10.4
149.05840	3.9
151.00362	6.4
153.01950	3.9
161.02469	42.5
161.04520	11.1
163.04034	20.0
164.04813	6.2
168.00589	4.8
169.01466	29.4
171.10287	7.6
179.03442	6.3
179.07111	5.1
181.01430	10.7
181.05045	8.7
201.11324	6.3
211.02475	6.6
211.13403	12.8
228.22037	3.6
229.14420	9.2
271.04611	5.5
285.04181	8.2
287.04630	11.9
291.19827	5.1
300.99927	4.9
313.05698	4.5
327.21777	100.0
351.21854	7.2
470.04926	4.8
487.21460	13.7
549.23108	59.7
549.30847	7.3
550.24115	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	549.2414
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
58.30124	0.6
59.01109	1.1
59.01385	16.2
61.98576	0.9
61.98844	8.6
69.03457	1.6
70.02985	4.7
70.86671	1.0
70.86986	1.2
71.01384	4.7
71.05008	5.2
73.02956	0.8
78.95911	5.4
82.02994	2.8
85.02940	0.8
87.05647	2.8
89.02437	0.9
96.96021	18.2
96.96955	8.8
97.02966	6.0
98.03743	2.1
99.04565	1.5
101.02467	2.1
113.02466	1.0
115.05170	0.8
116.07191	1.1
123.00870	0.8
124.01640	1.4
125.02455	1.1
129.05554	1.0
130.03310	5.0
142.03345	1.4
146.08252	38.8
147.06000	2.5
147.08614	0.8
169.01395	1.2
191.14426	3.7
200.09346	0.7
209.15558	1.9
217.11954	10.4
217.15923	0.6
235.13396	1.9
252.16055	2.3
269.12219	5.0
277.12296	100.0
278.12604	4.0
294.15338	0.9
300.99954	0.8
312.16376	9.4
345.46942	0.7
372.91257	0.6
387.18091	3.8
388.08286	1.3
489.33609	0.9
513.26801	2.1
517.14642	0.9
549.23798	10.9
549.31213	1.8
550.24628	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	19.1
59.63233	0.7
61.98838	8.4
71.01377	4.0
71.56588	0.7
73.02944	1.7
73.65851	0.7
75.00867	0.9
78.95911	38.5
79.95751	2.6
83.01382	0.9
85.02953	1.3
89.02461	1.3
96.96012	100.0
96.96966	65.1
99.00904	0.7
101.02452	2.7
113.02470	1.6
118.95200	0.8
123.00896	1.3
125.02451	2.1
136.07790	0.7
145.02953	0.9
147.82054	0.7
148.68544	0.7
151.00418	1.1
161.04625	1.3
169.01398	2.5
171.34602	0.8
190.06305	0.8
268.03754	2.7
269.04376	2.2
271.04752	1.3
277.12079	1.1
287.10379	1.5
300.99954	1.3
357.22818	1.1
387.18100	2.3
489.33023	2.9
513.27185	2.5
517.14355	1.9
549.14246	1.6
549.23431	8.1
549.31177	2.8
551.95190	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	0.5
59.01385	30.2
61.98842	3.5
70.30595	0.5
70.30939	1.2
71.01403	1.8
72.99306	0.6
78.95903	1.0
83.05080	0.4
85.02944	1.1
87.00887	1.8
88.98782	0.4
93.03485	0.7
96.96011	1.8
96.96973	1.3
97.02994	0.4
98.17307	0.4
101.02446	1.2
107.01427	0.4
109.02955	0.4
113.02440	0.7
117.03462	0.5
119.05064	0.5
121.02969	100.0
122.03301	1.6
123.00906	0.9
125.02463	2.7
135.04558	3.8
137.02492	0.5
138.06882	1.5
145.03014	1.2
149.02498	0.5
151.00372	0.7
151.07664	1.3
152.08469	1.7
153.01997	0.5
153.09222	5.0
161.02449	0.9
163.04027	1.2
163.11256	0.4
169.01439	3.4
179.03581	0.5
179.10767	0.5
181.08769	0.6
189.05597	0.5
193.12793	0.4
205.12343	1.2
211.02357	0.6
223.13464	1.0
233.66502	0.4
271.04651	0.9
312.96988	0.4
387.18207	1.4
425.57013	0.4
486.20776	1.1
489.21347	2.1
500.87698	0.4
549.23975	4.8
549.31171	0.8
550.23822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	2.9
61.98822	0.9
67.59627	0.2
69.35729	2.0
71.01405	0.7
78.95914	18.5
79.95742	2.5
91.40893	0.3
95.05003	0.3
96.96017	100.0
96.96967	31.2
97.26649	0.3
101.02462	0.4
114.07255	0.3
118.96645	0.5
136.00504	0.3
152.63243	0.3
153.33694	0.3
160.97639	0.3
170.99750	0.4
186.99286	0.3
198.99120	0.3
204.11374	0.2
387.17926	0.4
414.31445	0.3
417.18036	0.7
549.22351	2.8
549.30566	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64985	1.0
59.01383	2.9
60.99306	1.6
63.07264	1.0
67.51917	1.2
69.59616	5.2
71.01382	2.8
73.02953	1.6
79.63559	0.9
85.02962	2.5
88.98823	6.6
89.02442	1.4
93.03455	1.1
99.00952	1.4
101.02440	1.7
107.87638	0.9
108.02139	1.4
109.02954	1.8
121.02950	1.3
123.00856	3.2
136.00618	1.0
136.01678	42.1
137.02521	7.8
151.00385	8.5
151.04021	60.5
152.04478	1.3
160.54910	1.0
161.04449	1.4
163.04028	1.4
166.02730	26.2
167.03409	1.1
169.01357	1.9
174.02577	1.0
177.01894	1.7
181.05072	32.4
182.05377	1.5
329.10181	2.1
343.12183	1.7
354.89432	1.0
357.09805	13.9
372.12317	6.2
387.14526	100.0
388.14728	6.9
459.18298	6.5
503.24792	3.1
549.21613	1.3
558.65161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.24851	0.4
57.84675	0.4
58.00611	0.7
59.01387	39.5
60.01715	0.6
61.98838	3.3
70.94279	1.1
71.01389	8.9
72.99328	0.5
73.02937	0.6
85.02968	1.8
89.02456	9.8
95.01424	0.9
96.96046	0.9
98.95602	0.9
99.00900	0.9
101.02447	6.5
107.01449	0.7
113.02477	3.6
117.03487	0.8
119.03495	3.0
119.05032	1.0
123.00906	1.2
125.02448	2.4
132.02191	1.0
133.02974	28.9
135.04549	5.7
137.02457	0.9
137.09738	0.9
139.00339	0.7
145.03012	1.4
149.04518	0.5
151.00459	1.0
160.01616	0.4
161.02463	100.0
162.02802	2.4
163.04091	0.9
163.11328	3.6
168.00674	1.0
169.01443	3.0
175.04012	0.5
177.05505	0.6
179.03542	3.6
181.05099	0.6
201.53197	0.6
204.63808	0.4
207.10263	8.6
221.04553	0.9
225.11238	0.7
274.01361	0.5
281.06735	0.6
285.03979	0.6
313.05481	0.8
387.16644	79.0
388.16824	3.3
411.09338	1.3
414.22379	0.5
418.24216	0.5
531.18585	0.7
549.19867	54.0
550.20178	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	549.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.9
57.03417	1.4
59.01386	83.1
61.98839	10.5
71.01388	11.5
71.12429	0.9
71.57256	1.5
72.99277	1.1
73.02929	2.3
73.63921	0.9
78.95864	1.6
81.65881	1.0
83.01372	1.5
84.95101	0.9
85.02916	3.0
87.00833	1.5
88.98773	2.5
89.02441	10.5
89.70480	0.8
93.03404	1.9
95.01361	1.7
96.96016	15.6
96.96947	2.2
97.02892	0.8
98.44274	0.9
98.95581	1.2
99.00890	1.1
101.02450	9.2
109.02898	2.3
111.00843	1.4
113.02440	4.1
117.03471	2.2
119.03424	3.6
119.04163	0.9
119.05031	7.9
121.02893	3.0
123.00845	2.6
125.02467	8.6
131.03438	1.2
132.02098	1.8
133.02969	32.2
133.64529	0.8
134.03287	2.6
135.04535	12.7
136.04776	0.9
137.02451	7.2
139.00305	1.2
145.02892	4.5
145.94691	0.8
151.00281	2.6
151.03857	1.0
159.97191	1.0
160.03976	2.1
161.02455	100.0
161.04332	4.3
162.02776	8.4
163.02841	2.5
163.03941	3.4
163.11191	3.6
165.01729	1.0
169.01439	8.7
170.01741	1.1
177.05443	1.6
179.03516	6.5
180.03706	1.2
181.01341	3.0
182.05859	4.8
197.08195	11.9
198.08429	0.8
207.10237	7.3
221.04396	1.7
225.11414	0.9
271.04718	1.0
281.06647	1.8
285.04056	4.6
300.99658	2.4
302.71335	1.1
311.99136	5.8
318.96671	1.0
327.01456	7.2
351.21347	1.6
387.16611	65.5
388.16965	3.9
442.17719	2.1
459.18497	2.1
481.43274	0.9
489.17017	1.0
513.26587	1.5
549.19806	45.4
550.19379	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	20.7
60.99316	18.4
63.52710	1.2
71.01397	12.9
72.99284	1.3
73.02956	3.1
83.01363	2.3
84.54625	1.3
85.02959	5.9
88.98816	100.0
89.02458	11.7
96.96040	3.3
101.02464	11.8
109.02952	1.3
111.00929	1.8
113.02488	6.1
119.03522	3.7
121.02929	3.0
123.00880	10.1
125.02473	11.7
133.02960	4.8
135.04535	1.4
136.01649	5.0
137.02452	2.7
139.00401	3.1
140.01161	1.8
145.02997	2.7
151.00438	7.7
151.04037	9.5
153.26031	1.2
161.02460	16.4
161.04547	2.2
161.09616	2.2
163.04083	1.2
163.06157	3.5
163.11263	4.6
166.02760	5.8
168.00673	3.6
169.01431	18.0
179.03496	1.7
179.05586	2.6
179.10809	3.0
181.05060	5.6
181.07228	1.8
183.68518	1.3
203.10797	1.2
285.03918	1.9
313.05453	1.5
325.11368	5.6
331.03061	1.3
343.12289	12.8
357.09781	1.6
371.20416	1.3
387.16055	12.3
417.08197	1.9
459.18750	89.7
460.19186	5.1
490.28827	1.6
499.83658	1.3
503.24902	5.9
549.21313	13.4
550.20685	1.5
562.63098	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66386	1.0
52.60342	0.9
57.58639	1.0
59.01391	20.9
60.99318	16.0
61.98836	1.8
66.56737	0.9
71.01391	12.4
71.57309	1.5
72.99304	1.6
73.02959	2.5
75.96795	0.9
81.24036	1.0
81.78474	0.9
83.01403	1.4
84.49792	1.1
85.02964	3.7
85.46745	1.0
85.96844	1.0
87.00900	1.1
88.98817	100.0
89.02455	11.9
95.01380	2.1
96.95995	3.0
97.02926	1.2
101.02464	11.2
107.01396	2.3
109.02966	1.1
111.00884	1.0
113.02448	6.0
119.03519	3.8
119.05002	1.0
121.02972	1.9
123.00899	8.1
124.01713	1.5
125.02476	10.8
129.11652	0.8
130.58832	0.9
133.02963	5.3
135.04541	2.2
135.11795	2.0
136.01686	1.9
137.02364	1.4
139.00394	4.3
140.01166	1.9
141.01976	1.0
143.03525	1.1
145.02966	1.7
151.00423	8.4
151.04019	2.7
161.02457	17.7
161.04491	2.5
161.09731	2.6
163.04025	1.3
163.06178	3.2
163.11290	5.0
166.02757	1.2
168.00652	3.1
169.01454	14.8
179.05630	2.3
179.10808	2.5
181.05058	1.8
181.07173	2.9
203.10817	1.6
205.07126	1.9
211.06108	1.2
221.11844	1.2
223.09721	1.0
255.63454	1.1
284.03314	1.4
304.75635	1.1
325.11404	7.5
343.12424	12.2
357.10004	1.4
387.16833	15.9
402.21002	1.0
417.08289	2.3
459.18750	93.8
460.19443	5.5
503.24817	1.9
549.21436	16.0
559.65387	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3649
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	25.8
60.99293	1.1
61.98837	4.9
71.05037	1.6
71.57381	0.9
71.98173	0.7
72.99319	5.7
75.20147	0.6
78.16245	0.6
96.96001	0.8
251.20160	3.6
353.85175	0.7
387.29083	2.2
390.29263	1.0
405.31760	4.8
407.33130	2.2
409.31671	1.1
413.34177	2.7
423.32678	1.3
425.34402	4.5
427.32303	4.6
439.32333	1.6
441.34143	3.4
443.36093	0.9
487.34372	100.0
488.34772	8.3
547.29749	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	548.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22784	0.6
53.26307	0.7
57.24208	0.7
59.01384	8.3
61.98532	1.4
61.98836	16.9
62.24910	0.8
62.70285	0.7
64.80698	0.7
67.01883	0.8
69.33765	3.5
69.34196	2.9
71.01385	3.2
72.99317	1.0
75.19104	0.7
82.97871	0.7
85.03005	0.8
89.02449	2.4
95.01408	1.9
96.96051	1.4
98.20583	1.4
100.58276	0.7
101.02462	1.7
107.01404	3.7
111.00879	2.1
113.02460	1.0
123.00904	11.5
124.01694	1.8
125.02464	16.5
127.00473	0.9
135.04512	0.7
136.66054	0.7
136.98808	0.9
139.00398	3.8
140.01173	2.8
141.01964	1.8
151.00371	6.4
152.44182	0.8
153.01913	0.8
165.01964	0.9
167.03496	1.5
168.00623	6.6
169.01439	30.3
170.01816	1.1
179.03426	1.0
180.01239	0.8
211.02493	27.2
212.02843	0.9
241.03473	1.0
271.04611	46.4
272.04968	1.3
313.05844	0.8
329.28406	0.9
331.06784	5.7
441.00574	0.9
485.20331	100.0
486.20694	6.7
542.66895	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3232
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01112	2.9
59.01387	40.4
60.01719	4.4
61.01802	7.9
61.98838	100.0
71.56086	3.0
121.02971	87.4
131.98933	1.6
165.01953	43.4
181.06506	1.9
197.06116	2.0
247.60378	1.7
280.66418	1.6
283.51843	1.6
302.20398	2.0
380.84125	1.7
406.74579	1.5
417.09558	2.3
455.44611	1.7
488.33679	4.1
505.11298	3.1
549.10437	23.3
549.23541	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	548.3233
Annotation	Unknow
Peak:m/z	Relative Intensity
56.31669	2.8
59.01372	4.5
61.33600	2.8
61.98836	100.0
62.52211	3.0
63.94843	2.8
69.04430	3.1
70.31093	9.0
73.31647	2.9
85.22427	3.0
95.96246	2.9
96.23428	2.8
109.17583	3.1
161.53250	4.4
283.67682	3.5
390.41119	3.6
488.34589	10.1
548.29999	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.0902
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	15.4
61.98829	2.5
71.01397	4.4
71.56960	0.4
72.99302	0.6
73.02937	2.1
79.84460	0.4
83.01395	0.6
85.02972	2.3
87.00871	0.6
88.98803	0.7
89.02426	1.6
93.03452	0.5
95.01369	1.0
96.96022	3.3
99.00854	0.7
101.02439	3.7
101.63297	0.4
104.02719	0.5
109.02963	2.7
113.02429	1.5
117.03450	1.1
119.03480	0.4
119.05091	1.9
121.02935	0.8
123.00822	0.8
123.04488	0.4
125.02471	1.9
132.02190	2.7
133.02975	17.8
134.03285	7.1
135.03404	1.1
135.04495	5.3
136.04871	1.8
137.02454	1.5
139.56313	0.5
144.02173	1.0
145.02960	0.9
147.86676	0.4
149.02417	0.4
149.04510	0.4
151.00404	0.4
151.03889	0.5
154.09538	0.8
156.02151	2.3
160.01801	2.0
160.02982	0.5
160.04068	7.2
161.02464	52.5
161.04390	4.0
162.02794	23.1
163.02946	6.4
163.04086	0.6
164.03448	0.9
169.01404	1.8
172.01642	0.9
176.01086	0.9
177.05602	0.5
179.03525	3.2
180.03857	1.2
181.01425	1.2
184.01657	3.4
188.01158	0.7
200.01155	4.4
204.03059	0.5
205.12303	0.5
209.02420	1.4
212.01132	3.1
216.00639	1.0
221.04492	0.6
226.99939	0.9
228.00668	3.0
240.00659	9.6
251.05554	0.5
253.01285	0.5
254.99365	1.7
256.00140	3.1
272.03824	0.5
281.00977	1.8
282.98828	1.7
283.99658	8.0
285.00305	1.6
285.03702	0.5
300.99844	0.7
310.98392	0.8
311.99146	85.4
312.99786	12.9
314.00485	0.5
324.99899	1.6
327.01477	100.0
328.01788	5.4
336.99948	3.7
339.01770	0.5
351.21710	1.2
357.09723	2.4
369.02707	0.7
372.12222	1.1
375.13867	0.5
387.14374	3.9
417.25037	1.3
423.92242	0.5
475.05484	0.6
531.21960	0.4
548.13818	0.6
548.22321	15.7
549.22620	47.0
549.28778	2.8
550.23065	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37016	0.2
59.01386	8.0
60.01714	1.2
61.92848	0.2
61.98835	21.1
66.49003	0.2
70.30018	1.1
77.03979	1.7
83.03115	0.2
84.33062	0.2
93.03470	0.4
94.98243	0.2
98.19897	0.3
121.02967	100.0
122.03301	2.0
137.02473	0.3
144.90253	0.3
165.01944	52.4
166.02296	0.8
180.05853	1.0
181.06628	2.7
197.06114	2.4
205.81450	0.2
207.04544	1.0
207.08315	0.3
223.03888	0.3
225.05600	1.7
257.09860	0.5
261.46637	0.3
313.07196	1.4
357.06161	0.7
383.07623	0.6
417.09912	2.0
488.33853	0.7
505.11389	1.6
522.88953	0.3
549.10413	27.6
550.10669	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	547.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98842	4.4
98.19858	2.0
181.66165	1.1
229.47502	0.9
305.91257	1.0
393.28067	2.6
400.84125	1.2
409.31042	6.9
423.32742	6.4
425.34366	14.8
426.34634	1.4
443.35379	2.6
469.33301	12.6
471.34784	7.2
487.34259	17.8
488.34726	1.0
547.28168	3.9
547.36090	1.6
556.10870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94585	0.6
58.87661	0.7
59.01387	100.0
60.01710	0.9
61.98827	1.6
70.47128	0.8
70.47488	1.8
73.42860	0.7
85.07211	0.6
128.05312	0.6
168.22722	0.7
177.27568	0.7
183.71008	0.7
203.51016	0.7
487.34619	0.9
547.30341	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	66.6
61.98837	23.1
63.06592	3.4
67.08968	3.8
69.39330	3.9
71.01387	6.2
71.25931	4.5
72.86058	3.5
73.02953	4.4
75.15739	3.8
82.36647	3.7
89.02486	4.2
96.96013	7.4
97.76163	3.8
126.21030	4.0
145.02991	5.4
206.67700	4.3
209.11888	5.9
245.95041	4.0
256.47470	3.7
487.31161	6.4
489.36011	42.5
490.35742	5.4
547.32037	100.0
548.31860	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	547.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17411	0.4
59.01384	100.0
60.01722	0.5
61.98816	0.5
64.51639	0.4
69.24448	1.3
69.24873	2.6
75.00883	0.7
82.34185	0.4
210.81529	0.4
471.34824	4.0
473.35742	1.0
533.42908	0.6
547.28192	1.7
547.36713	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	547.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.5
61.98825	2.3
69.41535	2.2
71.01389	2.9
72.30930	0.2
72.99312	0.3
73.02963	0.8
78.95908	0.4
79.01925	0.2
82.95416	0.3
85.02970	1.1
87.00941	0.3
89.02452	1.9
95.01423	0.6
95.05003	0.3
96.96025	2.6
98.95596	1.1
99.00877	0.3
101.02441	1.4
105.03484	0.6
107.01386	0.3
109.02958	0.6
113.02457	1.0
117.03476	2.5
119.03548	0.5
119.05040	2.5
121.02978	0.4
123.00893	0.5
123.04525	0.5
125.02452	1.5
125.06061	0.3
128.90158	0.5
132.02202	2.0
133.02968	34.4
134.03839	1.6
135.04538	13.6
137.02483	1.3
137.09715	0.4
138.06927	0.6
145.02954	5.1
149.06110	1.1
150.03259	0.3
151.00380	0.4
152.08430	0.5
153.09229	0.6
160.04028	1.0
161.02457	100.0
162.02800	2.4
163.04037	2.9
163.11206	0.3
165.05479	0.5
168.00726	0.6
169.01433	1.9
177.05548	2.4
178.02707	0.6
179.03506	12.2
179.10838	0.3
203.03584	0.4
205.12373	1.2
221.04572	3.2
229.16484	0.3
235.06209	0.5
246.22678	0.3
251.05621	2.6
265.07123	0.6
268.03894	0.3
269.04572	2.0
281.06674	5.4
284.03247	0.6
285.04077	2.0
299.35956	0.3
299.99008	0.4
300.99887	1.2
323.07797	0.5
327.01456	0.4
329.02567	0.3
332.83072	0.3
341.08908	2.9
385.05478	0.4
414.15057	0.3
441.17816	0.7
449.03082	0.4
484.18915	0.9
485.15924	0.3
489.10486	0.6
517.20813	0.3
547.21844	73.9
548.22278	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	547.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.4
59.01393	3.6
61.98800	0.3
62.10581	0.2
69.24399	2.3
71.01389	2.1
73.02950	0.3
77.03995	0.4
83.01400	0.3
85.02982	0.5
89.02478	1.2
89.03954	0.4
96.96033	1.2
98.20590	0.5
98.95603	0.6
101.02463	1.2
104.02682	0.2
105.03480	0.6
113.02448	0.6
115.01957	0.3
117.03503	1.7
119.05016	0.6
120.47863	0.3
121.02986	0.3
123.04496	0.3
124.44579	0.2
132.02170	2.0
133.02972	34.4
134.03818	1.1
135.04538	10.4
137.02435	1.0
138.06926	0.4
145.02965	2.4
149.06094	0.4
149.83160	0.2
151.07669	0.2
152.08418	0.5
153.09225	0.8
160.04044	1.4
161.02461	100.0
162.02794	2.6
163.04042	0.9
169.01308	0.4
177.05589	0.8
178.02710	0.5
179.03513	6.2
180.03777	0.4
203.03510	0.3
205.05023	0.4
205.12389	1.1
221.04504	0.6
221.11760	0.4
230.75243	0.2
235.06209	0.3
265.07114	0.3
281.06860	0.4
307.08264	0.7
529.20972	0.6
536.21185	0.2
547.21875	74.2
548.22400	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	547.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31605	4.4
55.72766	4.2
57.21209	4.5
59.01385	30.0
61.16927	4.3
70.38919	4.6
71.01390	26.2
71.98795	4.3
73.02934	6.5
76.62791	4.5
78.95921	7.1
85.02970	14.0
88.98836	11.7
89.02456	23.7
96.96014	22.1
99.00901	5.6
101.02454	17.2
103.37556	4.5
113.02457	27.7
119.03500	10.0
125.02458	18.3
135.11856	11.0
149.02762	4.4
161.04553	10.4
161.09749	21.2
169.01471	29.3
175.02550	6.3
179.05588	6.3
179.10802	92.8
203.10764	10.2
223.09805	100.0
265.10709	6.5
301.00040	8.4
385.14941	19.7
457.16895	6.6
547.24493	6.6
562.70508	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.3
61.98840	7.4
65.00343	1.1
69.54285	2.3
69.70374	0.4
71.01392	2.4
73.02959	1.1
81.04176	0.4
83.01386	0.8
85.02946	0.8
89.02470	1.0
93.03485	0.5
95.01390	0.7
96.96022	4.3
98.19923	0.9
98.95614	0.6
99.00884	0.4
101.02445	1.6
106.50989	0.4
107.01421	1.6
107.05036	1.3
111.00885	0.6
113.02467	1.0
117.03491	1.0
119.05042	1.5
123.00901	1.8
125.02467	3.7
133.02969	7.2
134.03766	2.7
135.04543	100.0
136.04857	2.3
137.02422	0.7
139.00410	0.8
145.02957	3.0
149.02435	1.4
151.00357	4.5
161.02472	3.9
163.04007	2.9
165.01936	0.7
168.00624	0.9
169.01443	4.6
170.01768	0.9
175.04008	1.6
179.03517	75.1
179.10800	1.5
180.03857	1.9
189.12891	0.6
199.01881	0.4
199.04021	1.0
201.01974	0.6
205.12456	0.4
211.02504	1.3
217.05078	1.0
221.04404	0.5
241.04999	0.5
243.03180	0.4
270.59952	0.4
271.04648	1.4
285.04080	59.5
286.04422	3.2
297.10062	0.5
300.99902	0.9
313.05731	0.5
341.08975	0.6
349.16431	1.3
367.14011	0.6
373.47116	0.4
459.20038	1.3
461.19510	0.7
485.20663	0.5
503.19302	3.5
547.23163	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	547.1672
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91193	1.4
57.14513	1.4
59.01386	5.8
60.99316	16.7
69.44015	2.9
69.44425	8.1
71.01395	3.7
83.01406	1.5
85.02983	3.5
87.00858	1.4
88.98818	100.0
89.02464	3.1
96.96021	45.4
98.95609	22.5
98.96435	3.8
101.02471	3.5
107.01394	3.0
111.00889	2.2
113.02425	1.9
113.62762	1.5
123.00879	12.7
125.02445	15.0
139.00374	4.3
140.01099	2.7
141.01991	1.6
145.02922	1.6
150.59459	1.4
151.00360	12.3
168.00673	3.3
169.01462	16.6
170.01839	1.5
197.77492	1.4
223.09872	2.1
254.85506	1.5
285.04056	2.7
286.96790	1.7
287.05136	2.0
313.05652	2.1
334.26364	1.5
342.15359	1.7
375.22476	1.5
457.17184	96.3
458.17496	4.2
547.20197	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	545.349
Annotation	Agosterol C7
Peak:m/z	Relative Intensity
50.14449	0.3
53.04347	0.3
57.03458	0.9
59.01387	76.2
61.81450	0.3
61.98867	0.6
70.88351	0.5
70.88684	0.5
73.02960	2.6
82.33189	0.3
87.87702	0.3
96.96014	2.2
96.97818	0.4
119.05055	1.4
119.08723	0.4
120.44418	0.3
155.89348	0.3
157.20316	0.3
163.04074	0.8
173.80519	0.4
248.52443	0.3
310.37277	0.4
310.49173	0.4
357.26059	0.4
373.29251	1.0
391.29855	0.4
406.28650	0.5
414.75241	0.4
423.33115	0.5
424.03488	0.4
435.32556	0.4
439.32199	5.3
455.28281	0.6
469.33289	3.2
470.34000	0.4
485.32770	100.0
486.33054	7.5
487.34277	2.1
506.80710	0.3
545.29865	11.0
546.30402	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.0744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	46.4
64.07517	13.9
69.24500	46.5
69.24919	65.8
71.01390	45.5
72.31412	11.8
83.01399	13.4
85.02961	52.0
87.00901	30.0
95.01402	42.4
96.96020	71.2
97.02940	19.5
98.19866	24.4
109.02989	16.4
113.02464	44.2
125.02455	58.4
139.00417	15.4
151.04077	15.8
155.03542	22.1
169.01471	72.8
186.56000	12.5
202.05246	15.2
211.02490	35.8
213.63252	11.5
220.06062	22.1
271.04611	38.1
296.11526	18.8
301.00076	18.6
313.05737	14.9
474.04422	13.5
483.07904	100.0
546.98700	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3487
Annotation	Heracleifolinol
Peak:m/z	Relative Intensity
59.01385	100.0
60.01719	0.7
69.33031	1.4
73.02962	0.5
96.96050	0.3
112.73267	0.1
132.38290	0.2
212.89656	0.2
288.81253	0.2
378.87405	0.2
407.29816	0.6
470.49463	0.2
485.32739	10.8
486.33170	0.7
491.79538	0.2
545.27747	0.3
545.35052	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	545.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	22.9
66.82657	2.6
69.03487	2.8
71.01401	10.1
71.34034	3.7
72.99291	2.6
73.02931	4.6
81.03449	4.1
82.95402	3.5
83.01363	2.9
84.95152	12.4
85.02957	2.5
87.00896	3.1
89.02459	12.3
91.69044	2.6
95.01429	5.6
96.96028	86.3
97.02947	3.5
101.02459	6.0
107.01405	6.4
111.00878	5.7
113.02451	5.3
119.03530	4.6
119.05023	4.3
123.00901	17.0
125.02469	78.4
126.02854	3.6
137.02525	3.1
139.00403	8.3
141.01982	7.8
145.02975	7.6
150.03293	3.3
151.00409	6.1
160.08989	4.3
161.09781	7.6
163.03995	4.4
165.05527	2.7
166.99893	3.2
168.00626	4.5
169.01450	100.0
170.01768	3.5
175.04024	2.6
179.05531	3.4
203.10812	39.0
211.02536	3.7
241.03558	3.9
285.18073	2.7
300.99973	8.7
349.12039	3.1
388.48489	3.2
393.04724	13.0
426.57477	3.4
469.05136	36.5
469.55466	12.0
507.11530	3.5
545.17310	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	545.3015
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23176	0.7
59.01384	19.1
61.75730	0.6
61.98830	1.3
62.32722	0.8
63.14590	0.6
69.30227	6.8
96.96021	9.0
106.59796	0.8
121.59386	0.7
134.03557	0.7
299.32956	0.8
389.28470	2.2
405.31534	1.2
406.28699	3.4
421.30945	2.3
423.32715	6.6
431.30704	0.7
439.27689	1.0
469.33224	41.3
470.33395	3.4
484.73520	0.8
485.32864	4.8
487.34235	12.1
545.29962	100.0
546.30273	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	545.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.6
61.12493	0.6
61.98832	0.9
64.68440	0.6
65.96990	0.5
84.42381	0.6
96.96039	2.4
132.80214	0.7
154.99080	0.6
164.77016	0.6
485.32724	5.1
487.34320	61.0
488.34628	5.0
545.30176	100.0
546.30469	6.5
546.37842	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
56.82796	0.5
59.01388	12.1
61.98832	0.6
96.96035	3.5
98.34035	0.6
104.11722	0.5
145.05510	0.5
217.54552	0.6
250.04242	0.5
409.31085	1.5
421.31006	0.7
485.32718	1.3
487.34335	58.8
488.34665	4.3
545.30182	100.0
546.30365	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	545.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95047	0.3
55.01886	0.3
56.09034	0.4
57.03463	0.5
57.71166	0.4
59.01385	100.0
60.01725	0.6
60.09489	0.4
61.98841	3.4
69.33638	3.3
71.01390	6.8
71.04218	0.4
72.99362	0.6
73.02946	1.8
83.01396	0.7
85.02955	2.9
89.02457	0.5
93.56293	0.5
95.01397	0.4
96.96015	5.1
99.00908	1.2
101.02453	3.8
113.02479	3.0
130.09135	0.4
133.02972	0.5
138.01974	0.5
145.03024	0.5
159.03043	1.0
161.02501	0.4
161.04575	4.8
169.01480	0.4
203.91701	0.4
226.79872	0.4
285.04114	4.0
309.20807	0.8
361.99091	0.4
367.08276	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.3
61.98543	0.5
61.98838	9.6
69.31823	4.5
71.01390	2.6
72.99326	0.6
73.02966	0.6
78.95909	1.7
79.95735	0.6
82.95415	0.7
83.01397	0.7
85.02969	1.2
87.00855	0.5
88.98811	0.5
89.02453	1.6
93.03468	2.4
96.96025	18.3
96.96972	2.0
98.20598	1.0
99.00914	0.5
101.02483	2.6
101.03012	0.5
113.02431	0.9
117.03474	1.0
119.03530	0.8
119.05048	1.2
121.02972	4.8
123.04536	0.6
125.02435	2.4
133.02943	0.8
135.04492	0.5
137.02451	1.9
138.02007	0.8
145.02977	5.0
147.04512	0.5
151.00430	0.6
153.05600	0.7
161.02428	0.9
161.04625	0.9
161.05972	0.6
163.04033	0.6
163.11288	0.7
169.01410	2.1
177.01971	3.1
191.75577	0.5
193.06503	0.7
195.08073	0.7
206.07477	0.8
207.08147	0.9
213.05756	0.6
216.06563	0.5
221.06128	2.7
222.06868	1.8
223.07680	0.7
247.17352	0.4
249.05566	2.1
250.06392	4.5
251.07161	12.6
252.07570	0.9
256.29099	0.5
265.07169	1.0
277.05228	0.9
279.06638	9.6
279.50793	0.6
285.03979	0.8
294.05322	2.2
294.40265	0.6
295.06088	6.1
300.56705	0.5
300.99805	0.6
309.20789	0.5
323.05624	100.0
324.05988	5.9
383.07721	0.6
545.27301	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	545.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21534	0.1
59.01372	0.3
69.39742	1.2
79.95754	2.5
88.98829	0.2
89.02466	0.2
95.01353	0.2
95.60542	0.1
96.96022	100.0
97.95937	0.3
100.51602	0.2
107.01401	0.2
121.02984	0.3
125.02479	0.9
139.00421	0.2
169.01433	1.1
170.01826	0.2
211.02504	0.2
284.03293	1.5
285.04092	2.3
296.31128	0.2
300.99893	0.5
307.07800	0.2
447.09378	2.7
448.09753	0.2
455.15088	0.2
469.05078	0.3
545.21869	0.2
562.40375	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53056	0.2
58.62851	0.2
59.01379	0.4
65.28274	0.2
69.73359	0.2
79.95743	2.2
81.57476	0.2
93.87558	0.2
94.31107	0.2
96.96023	100.0
97.95934	0.2
125.01205	0.2
125.02394	0.4
133.02995	0.5
138.52013	0.2
151.00430	0.2
153.40231	0.2
169.01405	0.2
198.02792	0.2
224.85155	0.2
284.03183	0.4
285.04074	6.6
286.04428	0.5
417.41830	0.2
447.09375	3.3
544.23450	0.3
545.25348	0.6
560.13025	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01735	0.6
61.98836	2.0
65.03929	0.4
68.71017	0.4
71.01379	0.5
73.02971	0.6
106.96700	0.5
107.82298	0.4
114.05292	0.5
146.06885	0.5
169.98943	0.5
189.92804	0.5
191.95341	0.5
236.33974	0.6
301.00211	0.6
483.31323	11.8
484.31573	0.9
485.32755	28.3
486.33063	2.9
505.34430	1.8
527.79620	0.5
543.28546	52.7
544.28967	5.4
547.10223	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.7
60.61190	0.3
61.98836	100.0
69.24779	3.1
78.51800	0.3
81.80219	0.3
86.62230	0.4
93.19639	0.3
101.02464	0.4
109.17917	0.4
138.02061	0.7
142.47859	0.3
207.92780	0.4
213.05661	0.3
285.04196	0.5
286.04407	0.6
298.49493	0.3
391.23468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0602
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75554	0.2
59.01384	1.7
69.48245	1.7
71.01396	1.1
73.02945	0.4
74.16765	0.2
74.58510	0.2
75.04344	0.2
78.79731	0.2
78.95898	0.4
79.95756	3.2
82.96177	0.2
83.01390	0.3
83.25117	0.2
85.02942	0.3
87.00864	0.5
88.54325	0.2
89.02464	0.7
96.96022	100.0
97.96010	0.3
98.99503	0.2
101.02462	0.5
107.01402	3.2
111.00878	0.3
112.98712	0.2
113.02439	0.4
115.00382	0.9
117.05583	0.6
123.00938	1.4
125.02458	7.3
126.02755	0.2
133.02939	0.3
139.00365	0.5
141.01897	0.2
151.00406	1.1
163.04073	0.3
169.01445	9.9
170.01820	0.3
175.02507	1.9
176.99382	0.2
192.85283	0.2
193.79538	0.2
285.04077	6.1
370.28464	0.2
393.21140	0.8
447.09232	0.5
545.18542	10.2
546.19037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00190	3.5
59.01382	48.8
59.74773	3.2
61.98835	100.0
68.71012	3.5
69.62063	24.3
71.01397	20.1
72.99957	4.0
73.02936	4.3
73.68854	3.5
80.46417	3.4
85.02953	4.2
87.00877	5.3
88.07910	3.7
89.02453	13.3
95.01392	4.0
96.96014	11.2
101.02445	11.7
109.02943	6.3
111.00913	4.7
113.02485	4.3
119.03478	4.8
119.05009	5.0
119.65335	3.7
121.02948	5.8
123.00883	9.7
125.02459	15.3
137.02415	5.2
145.02963	6.6
149.02313	4.2
151.00375	5.6
151.65852	3.4
153.33350	3.7
163.03984	5.9
169.01411	10.1
189.70918	3.7
239.05708	3.9
243.12154	4.7
253.05139	5.3
256.03934	5.0
284.03296	40.1
285.04099	77.7
286.04367	6.5
406.32413	4.5
505.33688	5.2
507.28418	5.4
507.35370	9.3
543.15027	56.8
543.25360	14.2
543.34192	40.7
544.15558	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	543.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33695	0.5
53.22886	0.4
59.01376	1.0
61.98811	0.6
63.70954	0.4
71.56685	0.7
75.88073	0.4
80.51854	0.4
83.59882	0.4
84.81938	0.4
95.05029	0.4
97.06605	3.8
142.59946	0.4
159.71352	0.5
192.86290	0.4
374.26071	0.7
389.28552	0.9
391.30072	2.7
405.31665	5.0
407.33115	5.8
439.32114	1.3
441.33737	3.3
451.26807	0.7
451.32175	19.8
452.32449	1.7
453.33771	27.7
454.34064	2.0
485.36420	0.8
497.13382	0.6
497.32916	1.0
543.32208	100.0
544.32593	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	543.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89401	7.3
59.01391	50.7
61.98831	56.4
65.32283	7.6
69.20899	71.9
71.01380	55.5
73.02942	23.2
80.91709	34.3
83.01387	10.3
85.02966	24.2
88.98817	10.1
89.02441	19.8
89.41456	7.3
90.99146	7.0
96.96017	11.4
99.00874	10.6
101.02457	40.1
109.00589	6.3
113.02460	13.1
119.05029	10.2
119.20380	6.9
125.02466	18.0
131.03381	7.2
135.04475	11.3
145.02971	22.6
146.72987	8.7
151.00417	19.4
161.04530	8.4
169.01387	25.2
200.86684	8.4
297.08435	7.2
307.08209	12.7
351.18097	17.2
412.34888	7.8
483.16241	10.9
483.22433	98.1
543.25262	12.6
543.33264	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64511	3.5
57.03429	5.0
59.01386	41.5
61.98833	40.2
69.03456	4.2
69.96884	17.3
71.01391	28.6
72.99297	4.1
79.01828	4.1
79.60183	3.6
85.02956	9.4
89.02470	9.6
93.03463	32.8
95.01392	5.5
96.96016	10.6
96.96962	5.2
97.02905	4.7
99.00892	3.8
99.04520	4.5
101.02450	14.4
106.06134	3.6
107.01382	9.0
109.02939	8.6
111.00860	7.3
113.02433	9.6
119.05009	5.7
121.02979	4.8
123.00903	15.7
125.02468	82.6
126.90559	4.4
135.04539	4.0
137.02467	60.2
138.01950	19.9
139.00381	5.8
145.02977	20.8
151.00443	8.6
168.00624	7.7
169.01465	100.0
179.03497	7.2
211.02559	6.0
217.12437	5.5
219.10385	6.4
229.05089	5.5
235.13280	5.0
271.04434	5.7
300.99799	6.1
307.08252	4.9
410.93796	15.9
419.09229	4.3
461.13181	4.2
507.22156	11.8
543.25159	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61869	0.7
55.01869	1.2
57.03452	1.3
59.01378	5.3
61.00090	0.7
61.98828	7.5
69.49597	1.6
69.50001	4.4
69.65807	0.6
71.01385	4.5
73.02938	1.8
81.03475	0.9
85.02955	3.0
89.02446	1.3
95.01405	1.1
99.00871	0.8
101.02432	3.7
107.01389	2.8
109.02966	20.2
111.00875	2.0
111.08151	1.5
113.02446	1.8
119.03547	0.8
123.00883	6.7
124.01704	1.1
125.02474	6.5
135.04498	0.9
137.02464	1.6
138.01936	0.8
139.00371	1.2
139.11191	0.8
140.01103	0.7
149.06088	0.8
151.00359	3.4
152.01144	1.4
153.01955	33.2
165.05621	1.2
168.00694	1.4
169.01443	7.8
195.02977	1.0
209.15521	0.8
211.02484	1.2
237.03993	0.9
255.05167	2.1
271.04565	1.0
297.06354	0.8
305.28058	0.7
399.09418	1.1
457.18369	0.8
481.17148	1.9
507.22366	100.0
508.22635	8.3
525.23395	0.9
543.21655	6.6
543.24500	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	543.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93803	0.2
59.01382	4.2
61.98537	0.3
61.98835	4.2
63.02392	0.3
65.00338	0.7
71.01385	1.1
71.56271	0.4
73.02945	0.5
83.01389	0.8
85.02929	0.3
89.02455	0.7
96.96027	0.4
101.02445	0.5
107.01391	2.3
113.02454	0.5
118.04817	0.3
120.21973	0.2
121.02967	1.1
123.00892	0.6
125.02456	0.4
133.02965	8.7
138.01997	1.2
139.00389	0.3
139.02303	0.3
140.57782	0.2
149.02467	1.4
151.00375	5.6
157.42181	0.2
161.04552	0.4
164.08145	0.3
169.01404	0.8
175.04030	2.5
181.12291	0.3
185.05994	0.3
189.05527	0.4
197.06125	0.4
198.03247	0.3
199.03992	2.1
201.01950	0.9
213.05585	0.4
215.03462	0.3
217.05081	1.3
223.03899	0.3
229.44905	0.2
241.05107	0.9
243.03029	0.6
255.16013	0.8
257.04520	0.5
267.02957	0.3
284.03296	0.7
285.04062	100.0
286.04459	3.2
439.34393	0.3
447.09305	0.3
486.33517	0.2
504.34219	0.6
505.34567	0.5
543.15918	0.4
543.27808	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	543.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93803	0.2
59.01382	4.2
61.98537	0.3
61.98835	4.2
63.02392	0.3
65.00338	0.7
71.01385	1.1
71.56271	0.4
73.02945	0.5
83.01389	0.8
85.02929	0.3
89.02455	0.7
96.96027	0.4
101.02445	0.5
107.01391	2.3
113.02454	0.5
118.04817	0.3
120.21973	0.2
121.02967	1.1
123.00892	0.6
125.02456	0.4
133.02965	8.7
138.01997	1.2
139.00389	0.3
139.02303	0.3
140.57782	0.2
149.02467	1.4
151.00375	5.6
157.42181	0.2
161.04552	0.4
164.08145	0.3
169.01404	0.8
175.04030	2.5
181.12291	0.3
185.05994	0.3
189.05527	0.4
197.06125	0.4
198.03247	0.3
199.03992	2.1
201.01950	0.9
213.05585	0.4
215.03462	0.3
217.05081	1.3
223.03899	0.3
229.44905	0.2
241.05107	0.9
243.03029	0.6
255.16013	0.8
257.04520	0.5
267.02957	0.3
284.03296	0.7
285.04062	100.0
286.04459	3.2
439.34393	0.3
447.09305	0.3
486.33517	0.2
504.34219	0.6
505.34567	0.5
543.15918	0.4
543.27808	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	542.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.96219	0.2
71.27028	0.4
76.97813	0.2
94.57053	0.2
117.21344	0.2
228.85641	0.2
270.38043	0.3
272.66699	0.2
343.42429	0.3
402.02603	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.3
61.98842	11.9
67.01895	2.1
67.03383	0.6
69.03467	2.0
71.01392	6.6
71.58002	0.8
72.99319	1.0
73.02960	1.1
78.95906	1.0
79.01881	3.2
81.03456	1.0
83.01403	1.4
85.02955	3.9
88.98830	1.3
89.02454	1.7
93.03476	1.5
95.01408	5.2
96.96030	7.0
96.96992	2.1
97.02982	2.4
99.00875	1.4
101.02480	4.9
107.01405	15.1
108.02180	18.2
109.02966	44.6
110.03305	0.6
111.00891	2.3
113.02480	3.1
119.03529	0.7
119.05013	0.8
121.02981	2.1
123.00905	28.9
124.01707	1.4
125.02461	61.3
126.02811	1.0
135.04501	0.7
135.08165	0.8
136.98856	1.1
137.02443	2.1
138.01881	0.8
139.00412	8.0
139.04056	1.0
140.01218	2.9
141.01947	2.6
145.02959	1.1
147.04512	1.1
150.03236	2.2
151.00392	17.7
153.01947	1.4
160.04041	0.7
161.04568	0.8
165.01949	1.5
165.05550	1.8
166.99902	1.0
167.03493	0.9
168.00635	4.4
169.01442	100.0
170.01767	2.5
175.04037	0.6
183.02939	1.1
184.05295	0.6
185.06091	29.3
186.06424	1.3
193.01408	2.8
195.06580	0.9
207.02965	0.8
211.02496	9.6
213.05595	0.8
215.07137	2.6
228.04356	1.0
229.05067	58.8
230.05432	2.3
241.05116	1.9
243.06644	50.4
244.06987	1.5
253.03503	1.0
271.06216	24.8
272.06406	1.4
283.06296	1.1
300.99866	1.6
301.07230	10.6
313.05750	2.9
331.08322	13.4
332.08820	1.1
373.08807	1.2
381.06192	36.8
382.06467	2.4
418.34909	0.7
423.07126	3.1
443.15396	1.2
452.06668	0.7
453.08069	3.0
483.09482	9.0
525.22986	0.9
543.11475	61.5
543.24274	14.5
544.12006	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	542.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76348	0.3
59.01386	3.0
61.98838	100.0
70.55981	0.3
71.57643	0.3
73.02970	0.5
101.02470	0.4
111.21350	0.3
121.25949	0.3
129.22896	0.3
131.03569	0.5
145.02985	0.7
177.11617	0.3
253.83661	0.3
263.20654	0.3
269.59381	0.3
300.99985	0.6
331.98102	0.3
347.24725	0.3
348.24695	0.5
350.25531	0.4
418.80014	0.3
453.58060	0.3
483.31171	3.3
486.33606	0.5
507.29996	0.8
543.29041	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	0.7
61.98824	0.6
62.53862	0.2
71.01402	0.5
71.57532	0.3
78.91867	0.2
80.91710	0.2
85.02988	0.2
95.01393	0.3
96.96040	0.4
101.02473	0.3
107.01415	0.2
108.02196	0.4
113.02436	0.2
116.05074	4.4
123.00907	0.7
123.04524	0.2
125.02454	1.5
132.02243	0.5
132.04474	0.2
133.02959	0.2
134.03755	1.0
137.02440	0.3
145.03008	0.2
146.80637	0.2
149.06050	0.2
151.00354	0.3
152.30415	0.2
159.03290	0.9
160.04053	100.0
161.02336	0.3
161.04407	2.2
166.99945	0.2
169.01442	2.2
174.01985	0.6
174.05562	0.3
175.04048	2.1
184.04089	0.2
193.05078	0.4
200.03580	0.2
204.03024	4.6
212.03568	0.7
218.04587	1.8
223.06438	0.4
242.94780	0.2
250.05043	0.2
251.05891	0.2
262.05115	0.5
278.04666	0.3
279.05438	0.5
292.06216	0.2
294.07733	4.6
295.07953	0.3
300.99899	0.8
321.06488	0.4
323.07751	0.5
336.08792	3.4
337.09290	1.9
357.11832	0.2
366.08310	17.3
367.08691	0.8
498.13937	0.3
500.21353	0.2
525.32233	0.2
541.22443	0.8
542.13171	10.9
542.22833	2.0
543.05194	0.2
543.13641	0.7
543.19598	0.3
543.21106	0.4
566.01984	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40411	4.6
58.00590	4.6
59.01383	100.0
61.98838	32.5
70.46961	3.5
71.01402	21.1
71.07203	3.7
71.57780	5.7
85.02953	11.8
87.55408	4.6
89.02438	16.1
95.19791	3.7
97.02987	3.6
101.02437	13.9
113.02433	14.6
113.05366	7.5
113.06100	94.3
121.02918	6.4
123.00880	7.0
123.08171	4.2
125.02438	16.5
137.06064	7.8
138.06851	4.2
139.00409	5.6
151.00372	5.2
151.07701	7.8
152.08467	8.0
153.09242	27.2
161.04536	11.4
164.21492	4.8
169.01527	19.1
169.02718	4.4
205.12360	13.2
220.95479	3.6
223.13461	9.0
252.20088	3.7
285.04102	4.9
313.05731	5.9
323.47394	4.4
367.17575	9.5
385.18668	39.5
481.24332	9.3
505.34122	6.9
541.14423	17.8
541.22070	5.4
541.24597	6.2
541.33002	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	541.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15763	1.2
53.52014	1.3
59.01381	3.8
60.99313	17.5
61.42239	1.3
61.98833	4.1
69.31542	11.4
71.48665	1.1
75.00874	3.5
87.00888	2.3
88.00410	3.4
88.98817	100.0
89.01929	2.4
89.02456	33.1
89.99139	1.3
101.79908	1.4
109.61168	1.3
149.63420	1.3
169.01418	1.3
300.99857	3.6
471.83725	1.4
503.34030	2.2
541.02869	1.6
541.14911	1.5
541.26819	3.3
563.37659	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	541.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.7
59.01387	95.0
61.55473	2.1
61.98835	14.5
62.40858	2.4
63.66408	2.3
65.87090	2.0
71.01387	24.8
73.02958	4.1
83.01394	3.9
85.02979	10.2
87.00878	2.3
89.02455	11.1
101.02450	9.8
107.01382	2.6
113.02486	10.7
113.06099	100.0
114.06445	2.4
119.03495	2.0
121.02967	3.1
123.00887	4.2
125.02470	13.3
125.06155	2.0
127.07706	2.4
137.06113	3.9
138.06865	5.8
139.00366	3.1
139.07652	3.1
139.70421	2.0
140.01071	2.7
147.39931	2.2
151.00415	2.4
151.07632	9.3
152.08438	12.3
153.09221	42.4
161.04538	8.6
169.01468	12.2
179.10764	2.3
183.06802	2.9
205.12366	13.4
223.13481	10.3
224.51021	2.2
240.58328	2.2
313.05676	5.6
367.17337	10.9
385.18741	38.3
444.90738	2.5
481.24475	7.0
541.13348	10.3
541.24268	7.0
541.31897	7.4
543.43372	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.6
57.03449	0.5
57.16770	0.3
59.01384	6.1
60.03950	0.3
61.98836	4.1
62.93555	0.3
63.20619	0.3
65.00303	0.3
67.01891	0.9
68.99818	0.4
69.51655	0.3
71.01384	3.4
71.57495	0.5
72.99323	1.1
73.02958	0.6
75.00909	0.4
76.45760	0.3
78.95918	0.7
79.01897	0.9
83.01399	0.9
85.02991	1.7
87.00856	0.5
88.98830	0.4
89.02453	1.6
95.01397	1.9
96.96018	1.4
96.96951	0.7
97.02940	0.5
99.00893	0.4
101.02474	2.3
107.01399	3.1
107.05190	0.3
109.06580	0.5
110.44378	0.4
111.00906	2.4
111.08181	1.0
113.02446	1.1
117.03458	0.5
119.03523	0.7
121.02990	0.4
123.00910	12.5
123.04480	0.3
124.01670	0.9
125.02464	17.1
126.02817	0.8
127.00368	1.1
127.02966	0.5
127.07671	0.4
128.79794	0.4
133.02963	0.4
135.04483	0.7
136.98775	1.1
137.02452	0.6
138.02032	0.8
139.00381	4.7
139.04031	0.5
140.01169	2.4
141.01961	1.5
145.02930	1.2
151.00397	9.0
152.00848	0.4
153.01918	0.9
153.09290	0.7
161.02443	1.6
161.04495	0.5
163.04044	1.0
167.03578	0.4
168.00629	3.7
169.01445	23.7
170.01761	0.7
173.08177	0.8
179.03575	0.5
195.03033	0.9
211.02473	4.3
212.02803	0.5
255.05075	1.3
271.04614	5.8
285.00427	0.4
299.99170	0.5
300.99939	1.5
313.05768	1.2
328.02292	0.4
331.06686	0.5
343.04541	1.1
457.10172	0.4
460.93457	0.4
478.14764	0.5
497.17874	0.5
523.28961	0.4
534.71216	0.5
541.23016	100.0
542.23322	9.2
560.06921	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	4.4
67.01885	0.6
69.03457	0.3
69.23975	1.8
69.24384	0.5
70.09898	0.2
71.01385	2.7
72.99297	0.6
76.29163	0.3
79.01888	0.7
83.01373	0.5
85.02940	0.7
87.00882	0.3
89.02462	1.5
93.03479	0.8
95.01411	1.1
97.02964	0.4
101.02493	1.4
107.01394	2.5
109.64781	0.3
111.00871	1.7
111.04523	0.3
113.02455	1.0
115.34605	0.2
119.03503	0.3
121.26917	0.2
123.00902	9.4
124.01700	1.3
125.02459	14.6
126.02839	0.3
127.00360	0.6
136.98825	1.3
137.02454	1.0
139.00388	3.0
139.04068	0.4
140.01166	2.7
141.01921	1.0
148.40393	0.3
151.00386	7.5
152.74695	0.3
153.01945	0.6
153.09212	0.9
158.24596	0.3
165.01843	0.5
167.03516	0.5
168.00652	5.2
169.01433	22.5
170.01758	0.6
211.02495	15.1
212.02893	0.4
237.58223	0.2
239.32043	0.3
241.03577	0.8
241.56966	0.2
253.03711	0.4
259.28641	0.3
271.04593	15.3
272.04956	0.9
273.04993	0.3
313.05670	0.8
541.22919	100.0
542.23285	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	541.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55043	0.4
59.01385	5.8
61.98837	2.9
63.29436	0.4
67.01891	1.2
69.03436	0.4
71.01384	3.0
79.01898	0.5
85.02947	1.1
89.02462	1.4
89.87910	0.4
92.14823	0.4
93.03484	0.8
95.01392	1.4
97.02938	0.7
101.02425	2.0
107.01405	2.5
107.71421	0.5
111.00882	4.1
112.01250	0.6
113.02463	0.7
119.03504	0.5
123.00904	7.5
124.01727	0.9
125.01530	0.7
125.02454	14.6
127.00340	0.7
136.49886	0.4
136.98726	0.9
137.02452	3.1
139.00386	3.6
139.04013	0.5
140.01167	2.5
141.01930	0.8
151.00374	6.8
153.01855	0.6
153.09143	1.3
168.00676	5.0
169.01437	21.8
170.01762	0.5
179.03502	0.7
211.02493	12.0
271.04608	12.0
285.00452	0.5
297.97589	1.7
312.99881	2.8
313.05701	0.9
323.05728	0.4
328.02011	2.3
329.02386	0.5
343.04562	6.8
381.72452	0.4
393.97134	0.4
462.96017	0.5
491.08282	0.5
505.20792	3.4
541.22949	100.0
542.23364	9.3
542.32013	0.3
559.41370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
57.03453	1.5
58.00585	2.2
59.01153	1.3
59.01385	17.2
61.98589	1.4
61.98840	16.6
62.95489	1.3
66.86492	1.3
67.01897	2.2
69.03426	1.7
69.33702	5.7
69.34131	5.9
71.01394	17.0
72.99311	2.4
73.02953	7.9
75.00853	1.9
79.01887	2.6
81.90261	1.6
83.01395	3.4
85.02969	8.0
87.00904	2.6
87.04516	1.7
88.98833	2.7
89.02448	6.7
93.03470	1.5
95.01395	4.3
96.96008	3.7
97.02987	2.9
97.06594	5.7
97.25083	1.7
99.00878	3.0
99.92573	2.0
101.02445	16.4
106.29614	1.5
107.01408	13.4
108.02184	5.3
109.02975	7.6
109.06564	1.7
111.00893	4.6
111.08167	2.4
113.02446	6.2
116.92869	12.5
117.01924	3.2
122.03780	2.1
123.00903	18.2
123.04548	4.0
124.01609	1.3
125.02464	71.2
126.02816	2.6
135.04385	1.4
137.02434	3.3
139.00372	7.2
140.01118	2.3
141.01909	1.6
145.02910	2.1
151.00414	9.0
151.03955	1.5
152.01212	3.7
153.01936	3.5
161.02400	3.9
161.04607	4.0
163.03993	2.0
165.12881	11.1
167.03546	7.0
168.00673	3.6
169.01445	100.0
170.01799	3.4
183.13931	17.0
184.14084	1.5
185.06104	2.8
208.99539	4.5
209.11823	10.4
210.99323	1.7
211.02533	11.0
213.14861	2.3
227.12923	86.4
228.13206	2.9
229.05037	6.1
241.14523	12.2
243.06631	2.0
269.13913	18.5
270.05246	1.7
271.04642	7.4
284.03201	2.7
285.04010	4.9
285.07520	3.1
292.52734	1.4
299.15002	5.1
300.99915	6.4
313.06464	4.4
319.19284	1.4
329.16132	22.1
331.06659	3.5
363.23865	6.2
373.09250	2.0
380.11438	3.4
389.18127	26.1
398.10260	1.7
495.28091	24.8
505.20624	3.4
541.19537	55.3
542.19427	2.9
569.76263	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	541.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.25210	0.5
57.03441	0.9
58.80482	0.5
59.01389	52.7
59.01830	1.7
65.03786	0.4
71.01392	11.5
72.99294	0.9
73.02964	3.0
73.03288	0.7
75.77579	0.6
76.20486	0.6
83.01377	2.1
85.02957	5.4
86.00067	0.6
87.00854	1.3
88.98779	2.0
89.02460	4.7
93.03417	0.7
95.01386	2.8
96.96022	5.1
97.02928	0.8
99.00872	1.1
101.01819	0.5
101.02459	10.4
107.01398	3.8
111.00848	2.1
113.02448	5.0
116.56075	0.5
119.03452	2.3
123.00911	9.6
125.02465	17.3
127.00343	0.8
136.98798	0.9
137.02394	1.0
138.02008	2.8
139.00389	3.7
140.01083	1.8
141.01848	1.3
145.02956	1.1
151.00391	5.2
152.13118	0.5
159.02927	1.1
161.04463	1.9
163.03970	1.2
165.01871	0.6
168.00516	1.9
169.01450	18.4
175.32062	0.6
179.03322	0.7
200.34232	0.5
211.02368	1.3
227.12735	0.9
271.04657	1.3
300.99783	1.1
313.05591	3.1
329.15884	0.7
359.64035	0.6
371.16837	0.8
379.23032	1.7
389.18216	50.8
390.18237	2.4
452.08539	4.5
481.17242	8.8
523.18201	4.0
541.19000	100.0
542.19379	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47589	0.9
51.45846	0.9
57.03461	1.0
59.01392	8.0
69.21578	8.3
71.01379	5.4
75.97769	1.1
85.02954	1.4
89.02444	1.7
93.03468	31.0
95.01385	1.6
97.03017	1.3
101.02460	3.4
102.85735	0.9
111.04517	1.5
113.02444	1.8
123.00907	4.3
125.02457	6.8
136.01695	3.5
136.05281	1.0
137.02469	75.4
139.00420	1.5
151.00381	1.5
151.04118	1.5
152.08447	2.6
153.09222	2.4
155.03531	2.2
163.11340	1.1
168.00607	1.3
169.01459	10.7
173.30118	1.0
179.03499	11.6
179.10738	1.4
205.12341	4.1
206.12631	1.0
221.04617	1.5
236.16878	0.9
239.05649	7.5
281.06555	2.2
340.52121	1.0
359.15076	1.6
505.20847	100.0
506.21005	7.3
541.23132	23.6
542.23248	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	541.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01854	0.3
59.01383	1.8
61.98834	3.8
63.02423	0.2
65.00348	0.9
67.01898	2.4
69.03460	0.3
69.72340	0.6
69.72752	0.4
71.01072	0.2
71.01382	1.1
73.02975	0.5
83.01418	0.8
85.02976	0.4
87.00901	0.4
87.04520	0.2
89.02452	0.5
93.03438	0.3
95.01432	0.3
96.96019	0.3
98.19940	0.3
99.00912	0.3
99.04610	0.3
101.02485	0.7
107.01404	2.4
109.03001	1.1
111.00895	3.1
113.02467	0.4
119.05016	0.3
121.02992	0.6
123.00906	0.9
123.04547	0.3
125.02456	1.9
129.01956	0.3
133.02965	8.9
135.04538	0.3
137.02477	0.6
139.00383	0.4
145.02931	0.5
149.02446	1.3
151.00375	5.3
153.01967	0.9
154.02661	0.2
161.02496	0.6
161.04590	0.2
168.00679	0.4
169.01442	3.1
171.04489	0.2
173.08168	0.2
175.04025	3.1
179.03703	0.2
185.06133	0.5
197.06091	0.3
198.03250	0.3
199.04007	2.0
201.01993	1.1
207.13847	0.2
208.99606	0.2
211.02557	0.4
213.05588	0.6
215.03758	0.2
217.05110	1.2
223.04089	0.4
227.12924	1.0
239.03445	0.2
241.05070	0.7
242.05812	0.2
243.03003	0.7
255.03160	0.5
256.03824	1.4
257.04437	0.3
267.02692	0.3
271.04697	0.7
281.04572	0.9
283.02588	0.2
283.05957	0.2
284.03299	2.8
285.04065	100.0
286.04401	5.4
289.73801	0.2
300.99860	0.6
309.03943	0.3
311.05753	0.3
323.05652	0.6
329.16031	0.3
331.06265	0.3
341.10071	0.3
380.11264	1.1
389.18231	0.5
415.37833	0.2
429.08267	3.8
495.28409	0.3
505.20599	0.3
541.09845	13.1
541.22449	3.5
542.10406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.1
59.01111	1.0
59.01385	14.1
61.98838	9.8
63.02399	1.6
65.00338	2.2
67.01881	1.5
71.01379	6.0
72.99307	1.0
73.02934	2.7
78.95912	0.7
80.96549	0.7
83.01377	1.8
83.05015	1.1
85.02946	2.3
88.98806	0.8
89.02454	3.5
93.03468	0.8
95.01384	1.7
96.96005	2.6
97.02930	1.4
99.00893	1.0
101.02444	4.5
107.01421	6.1
109.02956	1.6
111.00903	4.9
111.08171	1.9
113.02449	2.1
119.01451	0.7
119.05021	1.4
121.02943	3.9
123.00907	7.0
124.01753	0.6
125.02460	10.7
126.02791	1.7
133.02048	0.9
133.02963	7.9
134.03737	1.8
135.04515	1.5
137.02397	0.8
139.00348	2.0
140.01178	1.2
145.02946	1.7
147.04462	1.2
149.02403	1.8
149.04486	0.8
149.99547	1.1
151.00381	9.9
153.01900	1.0
161.02452	6.9
161.04559	1.7
163.03972	1.5
163.11238	0.7
165.01935	2.7
168.00613	1.6
169.01442	15.2
170.01703	1.9
171.01869	0.9
171.04547	0.8
171.10338	1.0
173.08145	2.1
175.03990	2.6
179.03423	0.8
187.04024	0.7
193.05080	0.7
199.03993	2.5
200.04877	1.1
201.01913	1.2
211.02394	1.8
211.04158	1.1
213.05568	1.2
217.05074	1.5
225.11292	1.5
226.11742	1.8
227.03497	2.0
227.12663	0.6
239.03592	1.2
255.02965	1.4
256.03796	5.2
271.04639	3.1
275.02048	1.2
283.02435	1.4
284.03278	77.1
285.04047	100.0
286.04471	3.2
297.03900	0.9
300.99899	2.8
327.05157	1.3
341.10535	3.3
388.16776	0.8
389.17227	1.8
436.55881	0.8
493.61142	0.7
495.28217	1.8
505.20135	1.2
505.26654	8.8
509.20352	0.7
541.09998	90.9
541.23151	35.4
542.10199	6.2
542.24011	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	541.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67831	0.1
58.59035	0.1
59.01373	0.3
61.98845	0.8
63.02408	0.3
65.00324	1.1
67.01867	0.2
69.55605	0.7
71.01399	0.2
79.82951	0.1
82.95412	0.2
83.01366	0.6
99.08659	0.1
105.03466	0.3
107.01403	1.9
111.00906	0.2
121.02970	0.3
125.02386	0.2
132.02193	0.3
133.02965	10.1
139.03999	0.2
143.05051	0.1
149.02448	1.7
151.00380	4.8
159.38605	0.1
161.02467	0.1
169.01474	0.4
169.06610	0.1
171.04541	0.4
173.06050	0.1
175.04019	3.0
176.02336	0.1
185.06094	0.3
189.05519	0.2
191.03400	0.1
197.06052	0.3
198.03261	0.4
199.04004	2.2
200.04494	0.2
201.01930	0.9
202.02740	0.3
212.04745	0.1
213.05562	0.4
215.03477	0.5
217.05096	1.6
226.02664	0.2
229.04922	0.2
239.03600	0.1
240.04268	0.1
241.05025	1.0
242.02245	0.2
243.03040	0.5
256.03775	0.3
257.04663	0.3
267.03113	0.4
284.03372	0.6
285.04065	100.0
286.04410	3.9
300.99942	0.2
429.08084	0.4
509.16013	0.1
541.10742	0.4
541.23138	0.4
542.77893	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	541.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57263	1.4
55.01883	1.7
59.01378	8.3
67.01863	1.4
69.03478	1.9
69.98567	3.2
69.98984	4.5
71.01381	10.2
73.02930	1.8
79.41660	1.4
81.03470	2.4
83.01378	2.5
84.17671	1.4
85.02966	4.0
87.00860	1.4
89.02444	7.0
90.05460	1.4
93.03463	4.4
95.01395	3.1
96.34593	1.7
96.96023	13.5
96.96959	1.6
97.02967	1.9
98.20581	2.4
101.02456	6.8
107.01395	3.2
109.02942	6.4
113.02431	4.1
115.92315	1.6
116.92852	3.5
119.03520	1.8
120.50406	1.4
121.02962	4.7
123.00900	4.2
123.04531	1.5
124.01694	2.8
125.02464	46.7
127.00379	1.4
137.02440	28.4
138.03215	3.2
139.04024	100.0
140.04430	2.5
147.04520	2.0
151.00356	1.7
151.04062	1.5
153.01904	3.9
154.02701	2.0
155.03554	1.8
157.02922	1.4
163.04033	2.4
165.01938	37.1
169.01440	72.8
173.02446	2.2
175.03999	2.5
181.01373	2.4
182.02151	4.5
183.01384	2.9
183.02997	45.1
184.03404	1.6
191.03619	1.6
201.01968	2.2
203.03497	2.1
205.01477	1.7
208.00140	3.3
209.00937	39.7
211.02452	1.9
217.01332	2.5
225.04044	3.7
227.01964	6.9
229.01439	5.2
237.05528	1.7
245.00964	1.9
251.01900	3.1
257.00900	4.2
270.98816	2.7
273.00327	3.3
275.02029	12.1
283.09842	1.8
285.06226	2.6
298.98315	2.3
299.98999	4.7
300.99939	29.7
302.00055	3.0
327.07214	38.3
371.06210	83.5
372.06363	4.0
389.07312	5.4
497.09381	17.3
523.06726	1.8
541.01398	3.1
541.09125	14.3
541.52625	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	541.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65819	1.7
54.31514	1.4
59.01384	11.0
63.20396	1.6
69.81184	4.4
69.81591	5.8
71.01395	11.4
72.29938	1.6
72.99345	2.2
73.02969	2.0
79.01884	2.0
81.03472	3.7
83.01399	4.0
85.02976	7.1
87.54990	1.7
89.02457	7.4
92.58141	1.7
93.03463	4.6
95.01401	2.6
95.39766	1.7
96.96015	7.0
97.02987	2.6
98.20609	3.4
98.80672	1.5
101.02448	10.4
107.01406	7.1
109.02950	5.1
111.00874	2.0
113.02467	9.8
116.92893	1.8
118.96496	1.5
119.03532	3.4
121.02963	3.0
121.31602	1.5
123.00904	11.2
123.04506	1.9
125.02464	55.1
127.00367	2.6
136.98819	1.9
137.02463	32.6
138.03191	2.6
139.00385	2.9
139.04024	99.2
141.01958	2.6
145.02930	2.0
151.00371	6.9
151.04027	2.3
153.01936	9.9
153.05524	1.9
154.02780	5.4
155.03568	3.1
161.02402	1.8
163.00363	2.1
163.04010	2.4
165.01955	41.6
167.03569	2.9
168.00705	3.5
169.01436	70.1
173.02426	3.8
179.03525	4.6
181.01208	2.5
181.05101	3.4
182.02246	11.5
183.02995	63.0
184.03366	2.6
191.03377	1.9
203.03365	2.0
207.02983	1.8
209.00931	52.3
211.02435	8.8
225.04083	12.7
226.99879	2.1
227.01974	2.8
229.01459	2.9
245.01003	2.0
247.02536	1.9
257.01001	2.0
270.98886	4.2
271.04639	7.0
273.00546	2.2
275.02133	8.0
285.06274	3.8
291.44406	1.6
299.99136	4.6
300.99899	23.0
301.07217	4.0
302.00259	2.3
313.05789	4.3
316.09402	2.0
327.07257	20.6
331.06775	4.1
331.11880	6.9
345.08298	8.7
353.04852	2.0
370.54120	2.0
371.06064	2.9
389.07248	26.2
414.15240	2.0
497.09396	100.0
498.09763	6.6
523.07227	26.2
541.08521	97.9
541.52759	2.4
542.08905	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	540.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	100.0
77.80887	0.3
138.24850	0.3
147.92287	0.3
158.01572	0.3
191.55879	0.3
217.67546	0.3
446.21542	0.3
455.35214	7.2
456.35721	0.5
458.36237	0.5
540.33063	57.1
541.33441	3.9
545.41064	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	7.5
61.98585	0.6
61.98838	6.2
62.48524	0.6
67.01880	0.9
71.01400	3.3
72.99332	0.7
73.02943	1.0
79.01900	0.9
83.01367	0.8
85.02949	1.4
87.00864	0.7
89.02472	1.5
93.03467	2.9
95.01398	1.4
96.96027	0.7
98.19827	1.0
101.02444	2.2
107.01389	2.8
111.00899	4.3
112.13480	0.6
113.02444	1.0
118.96884	0.7
119.03500	0.6
123.00899	9.5
123.04539	0.8
124.01707	1.1
125.02464	16.0
136.98820	1.0
137.02454	8.4
139.00391	3.3
140.01109	2.2
141.01941	0.7
151.00375	7.8
151.03998	0.7
153.01898	0.8
153.05606	0.9
153.09293	0.7
167.03502	1.2
168.00684	4.8
169.01430	22.8
171.01895	0.8
179.03471	2.2
181.05002	0.6
187.31898	0.6
195.02870	0.7
205.12373	0.8
211.02518	11.2
257.00812	0.8
269.97986	5.9
271.04611	11.7
271.07211	1.1
285.00424	5.3
297.97537	19.8
298.98105	1.1
300.99878	0.9
312.99927	37.7
313.05768	1.5
314.00278	3.0
328.02258	41.8
329.02686	3.0
343.04599	78.2
344.04956	3.8
474.88480	0.7
481.26395	1.0
491.08295	2.0
505.20926	9.5
523.21277	0.9
541.22961	100.0
542.23248	6.3
563.48914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3312
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
71.56867	1.1
71.57237	1.0
80.91578	0.8
85.69865	0.8
88.00981	0.8
109.88436	0.8
136.34959	0.9
192.92409	0.8
455.35358	22.3
456.35712	2.9
458.36667	1.1
535.04749	0.8
540.33105	77.8
541.33606	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	540.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49389	2.4
55.01903	2.7
57.03426	2.5
58.85928	3.1
59.01389	49.7
61.98838	86.0
67.01907	9.2
71.01392	24.8
72.99308	5.7
73.02962	16.2
79.01905	3.2
81.03496	3.9
81.78008	2.5
83.01389	5.5
83.05044	16.5
85.02962	11.0
87.00931	4.2
87.04536	3.6
88.98805	5.6
89.02454	10.0
93.03481	4.1
95.01408	7.6
96.96014	6.5
97.02925	3.6
99.00930	4.3
101.02456	18.2
102.44189	2.9
107.01417	13.1
109.03018	4.5
109.06664	3.9
111.00894	40.6
111.08182	12.3
112.01234	5.8
113.02461	11.4
119.03447	3.1
119.04980	3.3
121.06614	3.6
123.00920	32.5
123.04510	2.8
125.01543	3.8
125.02469	78.5
126.02805	7.3
127.07623	3.8
128.03360	2.7
133.02948	7.2
136.98787	3.1
137.02472	6.0
137.09723	14.7
138.01984	24.2
138.10097	5.3
139.00415	12.8
139.07678	12.1
140.01140	8.2
141.01900	4.2
143.46796	2.4
145.03000	4.5
148.05295	11.6
149.02449	3.1
151.00404	22.5
151.03973	3.1
153.01892	5.6
153.05536	2.9
156.10291	5.2
157.08705	16.0
161.02480	19.1
161.04614	7.1
163.04050	4.5
163.06232	3.7
163.07608	6.2
168.00679	9.0
169.01443	100.0
170.01773	16.4
171.01903	5.1
173.08188	30.4
179.10857	3.4
193.28493	2.2
197.08182	9.5
199.09766	11.5
205.12395	9.5
206.12675	4.4
211.02455	7.0
213.07712	2.7
229.45192	2.6
242.14056	2.8
247.02525	2.9
251.87569	2.7
257.00937	3.1
257.59244	2.5
271.04666	2.8
275.01984	9.6
275.11453	7.5
300.99857	7.4
313.05814	12.7
335.13498	5.6
340.21326	52.1
341.21588	8.3
342.21857	5.3
377.22095	4.0
378.22382	3.1
387.15738	3.4
402.06631	2.4
477.14072	85.2
478.14377	8.0
496.17886	8.4
504.25430	4.6
539.26727	9.7
539.34149	4.0
540.22144	17.2
541.22919	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01979	5.9
51.90478	6.7
52.92870	6.6
59.01389	32.0
59.32256	5.9
61.98842	70.1
71.01375	9.3
72.96378	6.1
87.00885	38.7
96.96027	7.0
97.08958	5.9
125.02483	9.4
134.24677	7.9
162.28310	6.4
169.01468	6.5
170.58035	7.2
273.07608	7.1
317.21637	9.2
341.27008	27.5
439.32129	9.7
485.32880	63.0
503.33902	100.0
504.34354	8.6
539.24408	7.4
539.31757	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.0998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	5.9
61.98836	7.1
66.35482	1.7
71.01383	6.3
78.92494	1.6
79.01905	2.3
85.02959	4.0
89.02431	3.6
89.79416	1.8
95.01398	2.9
96.96039	3.1
101.02453	4.0
107.01393	7.1
108.29599	1.6
111.00834	2.2
111.46402	1.6
113.02467	3.7
114.12807	1.6
119.05032	16.3
119.75332	1.6
120.82489	1.7
123.00891	20.4
125.02470	42.6
126.02763	4.8
133.06596	4.0
136.01703	3.3
137.02502	1.5
139.00389	4.9
140.01236	3.0
141.01967	2.9
145.02965	18.5
148.04068	1.7
151.00378	14.2
151.04001	6.6
152.00780	2.3
161.06097	11.5
163.04019	18.5
167.03609	1.8
168.00667	5.3
168.93289	1.6
169.01447	59.9
170.01787	9.0
177.05598	5.9
193.01443	2.6
205.05064	12.8
211.02493	11.1
212.02858	3.6
213.03018	3.5
219.51567	1.7
235.06155	3.4
241.03851	2.2
259.68729	1.9
265.07166	11.5
271.04648	7.1
272.04962	6.9
273.05127	5.1
274.05612	2.0
313.05756	2.2
343.11954	9.3
417.08020	1.9
457.46350	1.6
459.18759	2.1
464.18170	2.2
477.10434	100.0
478.04758	2.1
478.10428	10.2
505.17813	2.3
539.21301	14.8
539.34857	1.9
540.21698	62.3
541.22943	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	539.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	3.0
56.58079	0.6
57.03440	2.4
59.01387	62.0
69.34616	5.6
71.01388	26.8
72.99314	1.2
73.02957	12.0
83.01396	7.4
84.94140	0.7
85.02953	20.8
86.00099	1.5
87.00873	1.4
89.02470	3.4
95.01366	1.9
97.02959	1.7
99.00887	5.6
101.02454	36.9
102.02813	0.7
110.36897	0.7
111.00909	1.0
113.02466	13.1
125.02441	1.0
129.01939	1.1
131.03517	39.1
134.99927	0.7
143.03531	1.3
159.02998	2.8
161.04579	10.7
285.61758	0.8
347.24405	100.0
348.24698	4.8
391.23251	1.5
479.28641	13.8
480.28802	1.2
485.32703	7.4
503.33652	3.2
529.31335	1.0
539.29834	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	539.3151
Annotation	Panduratin B
Peak:m/z	Relative Intensity
61.98825	24.0
69.25861	60.6
69.26279	14.6
79.60107	9.3
87.22601	7.1
438.94128	9.0
539.31458	100.0
540.31622	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	539.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25108	0.6
54.00837	0.6
55.01876	1.3
55.86922	0.5
57.03449	1.3
58.00585	0.9
59.01115	1.1
59.01388	14.5
67.01967	0.5
71.01392	12.5
72.99308	1.1
73.02956	6.0
75.00882	1.3
77.29645	0.5
78.21467	0.5
78.95914	4.5
83.01409	3.8
85.02964	7.7
86.00105	1.0
87.00865	1.6
89.02447	3.1
91.60458	0.5
93.03460	1.7
94.02311	0.5
95.01398	2.2
95.05044	0.6
96.96027	1.0
99.00870	1.7
101.02457	13.3
111.00876	1.5
113.02475	4.2
119.03461	0.7
121.02967	4.4
122.03792	4.9
123.00893	0.8
123.04540	0.8
125.02444	1.9
132.02194	1.0
133.02989	5.9
134.03712	1.6
135.04472	0.6
141.01833	0.7
147.04564	0.9
149.02466	29.5
149.06070	1.9
150.03250	34.7
151.03752	0.5
151.09445	0.6
161.04517	1.4
163.11296	0.7
164.04807	5.4
165.05585	27.4
166.06363	5.0
167.07109	1.1
169.01430	1.8
180.04185	1.5
181.08708	5.7
195.06651	11.3
211.02477	1.0
271.04590	1.7
283.09766	1.0
314.11652	5.5
315.12460	1.3
329.13995	12.1
329.17633	1.1
343.14020	11.7
344.14392	0.7
357.15445	0.7
387.16467	1.7
476.17276	0.8
491.19275	100.0
492.19608	6.4
539.05365	1.0
539.22046	14.9
540.21606	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2133
Annotation	Erizomycin
Peak:m/z	Relative Intensity
57.03439	0.6
59.01115	0.8
59.01387	12.5
61.98550	0.6
61.98838	10.3
67.01894	1.5
69.03445	0.8
69.44731	1.2
69.45138	2.6
71.01391	8.7
72.99297	1.9
73.02973	2.7
78.95889	0.7
79.01889	1.6
81.03453	1.1
83.01390	1.9
83.04987	0.6
85.02971	4.5
87.00866	0.9
87.04469	0.7
88.98833	0.7
89.02450	3.7
93.03458	3.9
95.01385	2.5
96.08499	0.6
97.02956	0.7
99.00879	1.2
101.02469	5.2
103.04015	1.3
103.23644	0.5
107.01400	4.8
109.02948	0.8
111.00881	4.5
113.02476	3.1
119.03457	0.7
119.05000	0.9
121.02972	1.0
123.00901	19.2
123.04501	1.4
124.01679	1.9
125.02463	22.8
127.00388	1.8
135.04558	3.2
136.04878	0.8
136.98811	2.3
137.02438	3.9
139.00395	6.8
139.03964	1.2
140.01187	4.8
141.01930	1.9
145.02931	2.1
151.00380	11.8
151.03989	0.8
153.01959	1.7
161.04500	1.4
163.04019	1.1
168.00653	5.1
168.02982	1.0
169.01443	23.4
179.03490	2.7
179.05562	0.6
181.05135	1.2
183.02971	1.5
186.86301	0.6
211.02495	1.7
225.04024	1.6
225.14920	0.6
253.03456	1.0
289.05704	0.6
301.00012	0.6
313.05667	1.6
437.14551	0.8
464.91373	0.6
479.24838	2.5
479.31845	1.5
507.18744	15.3
539.21265	100.0
540.21637	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	539.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72774	0.3
59.01384	4.1
59.21665	0.3
59.32271	0.3
60.99289	0.5
61.28498	0.4
62.96439	0.3
65.61791	0.3
67.01896	0.9
69.03455	0.5
69.29016	3.4
71.01392	2.8
71.38504	0.4
72.99312	0.6
77.69579	0.4
79.01893	0.9
79.14857	0.3
83.01396	0.7
85.02941	1.0
86.24622	0.3
86.67267	0.3
87.00851	0.5
88.98811	1.4
89.02448	1.2
95.01398	1.6
97.02985	0.4
99.00878	0.4
101.02437	1.7
107.01405	3.3
111.00886	2.3
113.02442	0.8
119.03532	0.4
123.00896	9.4
124.01659	1.5
125.02460	17.7
126.02796	0.5
127.00363	0.6
136.98801	1.3
139.00388	4.1
140.01175	2.8
141.01927	1.5
146.44835	0.3
149.87500	0.4
151.00392	6.7
153.01950	0.6
163.00481	0.4
165.01836	0.4
167.03517	0.6
168.00653	6.5
169.01436	26.2
170.01733	0.5
175.04346	0.4
179.03471	0.3
203.38017	0.4
211.02492	21.4
212.02821	0.6
231.37578	0.3
241.03545	0.9
271.04605	23.4
272.04935	0.7
285.04077	1.3
286.04391	1.5
287.04733	1.9
313.05725	1.1
331.06802	0.9
387.16425	0.4
447.09241	0.7
449.10019	2.5
510.05612	0.3
539.21375	100.0
540.21686	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	539.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02506	0.3
57.03447	0.4
57.46205	0.4
59.01385	6.3
61.98821	0.7
65.00300	0.3
67.01902	0.6
69.03451	0.5
69.22050	3.4
71.01387	3.7
72.99308	0.8
73.02953	1.2
79.01889	1.4
83.01392	0.9
85.02955	1.0
89.02451	3.5
93.93185	0.4
95.01383	1.7
96.96004	0.6
97.02940	0.7
99.00874	0.6
101.02454	3.3
107.01396	3.7
109.02953	0.4
110.00096	0.4
111.00948	1.8
113.02464	1.2
116.92874	1.5
119.03477	0.5
123.00898	14.4
123.04463	0.4
124.01670	1.7
125.02459	15.9
126.02837	0.4
127.00414	0.4
136.98795	1.1
139.00400	4.5
140.01189	2.6
141.01961	2.0
145.02884	0.4
149.04546	1.5
151.00391	10.1
153.01906	0.6
162.03325	0.4
163.11247	0.4
166.02696	1.4
168.00662	3.5
169.01447	21.3
170.01767	0.8
176.24588	0.3
181.05084	2.3
211.02524	2.1
225.14908	0.7
264.34683	0.4
271.04593	3.1
272.04889	0.4
313.05719	1.5
372.80450	0.4
539.21375	100.0
540.21649	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	539.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.6
57.03447	0.8
59.01386	10.0
62.22175	0.3
65.00327	0.3
67.01908	0.9
69.03461	0.7
71.01398	4.3
71.56425	0.4
72.99313	0.6
73.02953	1.1
75.00877	0.6
78.95935	0.7
79.01905	1.2
83.01387	1.2
85.02947	1.8
87.00889	0.7
87.90601	0.3
89.02451	3.2
95.01414	1.9
95.05051	0.3
96.96021	2.0
96.96975	0.7
97.02967	0.6
99.00880	0.4
101.02448	2.7
107.01411	4.5
109.02928	0.4
111.00896	2.3
113.02464	1.6
119.03521	0.9
119.05029	0.3
120.01303	0.4
121.02962	0.9
123.00900	14.0
123.04561	0.5
124.01662	0.9
125.02460	19.6
126.02737	0.6
127.00389	0.8
131.03505	0.3
135.04562	0.5
136.98836	1.4
137.02486	1.1
138.03241	0.4
139.00385	5.4
140.01175	3.3
141.01994	1.8
145.02971	0.3
149.02449	1.1
149.04539	0.4
150.03246	3.2
151.00380	10.7
151.04045	0.7
153.01924	0.9
154.99854	0.3
160.04134	0.3
163.04044	0.9
163.11316	1.3
165.01930	0.3
165.05595	4.7
166.02721	2.9
166.99869	0.4
168.00673	3.3
169.01437	25.0
170.01784	0.6
171.01884	0.3
177.04089	0.3
179.03487	0.5
181.05090	3.5
182.32283	0.3
185.11836	1.7
191.03622	0.5
195.06656	1.7
195.13866	0.5
196.61388	0.3
211.02507	2.4
212.02812	0.4
213.03127	0.4
213.07610	0.3
225.15021	0.6
253.03510	0.4
270.98785	0.3
271.04617	2.4
272.05209	0.5
273.05157	1.0
282.76218	0.3
293.08777	0.4
300.99911	1.3
313.05817	1.1
329.05673	0.3
329.10428	0.8
331.06665	0.3
345.13379	0.5
359.11499	0.8
377.13022	0.2
377.16260	2.4
387.16553	2.6
507.18710	0.5
509.20270	0.8
539.21436	100.0
540.21893	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	539.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.8
55.80348	1.7
56.37799	1.5
57.03438	2.1
58.00591	2.3
59.01109	2.8
59.01387	47.3
66.42481	1.6
69.93913	5.7
69.94302	3.9
71.01389	32.9
72.99301	2.5
73.02948	4.9
73.85414	2.0
83.01379	2.1
85.02959	7.8
87.00903	3.2
89.02454	34.6
93.03451	3.6
95.01403	2.9
96.96009	2.5
100.92947	1.6
101.02449	24.5
101.50961	1.5
103.67321	1.8
113.02448	14.2
119.03529	12.5
121.02938	8.3
122.03744	15.9
125.02452	12.8
133.02988	3.2
133.95772	1.8
134.03679	2.0
136.01671	2.5
139.00334	2.3
143.03445	2.1
145.03000	2.1
149.02454	30.7
149.04315	2.1
150.03236	90.8
161.04532	3.3
162.03255	8.8
163.11314	5.9
164.04813	6.2
165.05582	100.0
166.06274	7.9
169.01460	20.6
177.05562	8.6
179.05573	4.8
180.04283	6.5
181.08717	7.6
195.06641	46.2
211.02454	3.2
314.11551	5.7
315.12772	1.9
329.13959	9.8
334.29822	1.6
343.13950	15.8
387.16580	12.2
491.19244	94.1
492.19586	5.8
539.18207	21.3
539.34589	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	539.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
58.00591	2.3
59.01387	38.4
61.98813	1.2
65.97703	0.7
69.47946	0.7
69.49586	1.6
69.50005	3.0
71.01390	21.0
71.93879	0.7
72.99309	2.1
73.02923	1.3
74.39861	0.8
79.01882	1.2
81.03488	1.3
83.01395	1.6
85.02988	3.7
87.00891	2.2
88.98813	2.9
89.02456	32.5
95.01385	3.2
96.47630	0.7
96.96002	1.7
98.20676	0.6
99.62906	0.8
101.02455	11.5
105.03600	0.6
107.01400	9.7
111.00884	1.3
113.02465	7.5
115.77252	0.7
119.03523	10.7
123.00894	12.4
124.01640	0.9
125.02462	15.2
127.00425	1.3
131.03519	1.7
136.98865	0.8
139.00369	4.0
140.01178	2.4
141.01907	1.1
142.13760	0.7
143.03488	1.1
145.02959	2.7
147.04546	1.1
151.00388	35.8
161.02486	3.1
161.04648	0.9
162.03244	25.3
163.03888	1.2
166.02731	100.0
167.03087	1.7
168.00626	3.0
169.01443	18.0
177.05591	16.5
179.05658	3.5
180.04315	1.2
181.05087	99.7
182.05434	2.1
195.06642	2.8
201.39056	0.6
211.02423	3.6
271.04669	5.1
272.04852	1.2
273.05020	1.4
313.05682	0.8
331.06656	0.9
357.12054	1.6
377.29077	0.8
387.12866	1.4
477.10641	3.2
539.21503	59.7
539.34711	1.8
540.22040	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	539.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62566	0.4
57.03458	0.9
58.00598	0.7
59.01128	0.8
59.01387	4.5
61.98837	1.2
67.01917	2.1
69.03481	1.6
71.01385	4.0
73.02976	3.0
78.18022	0.5
79.01907	1.4
85.02965	2.4
86.03778	0.8
87.04526	1.2
89.02497	0.5
93.03484	1.1
95.01411	2.3
95.05058	1.4
97.02407	0.5
97.02992	2.1
98.20647	1.3
101.02438	4.5
107.01400	13.4
107.05083	0.6
109.02971	1.0
109.06619	1.5
111.00903	4.7
111.08150	1.4
113.02452	1.4
123.00896	14.2
123.04548	0.9
124.01701	1.5
125.02457	63.0
126.02818	1.1
136.98871	0.5
137.02452	0.7
139.00409	3.5
139.04033	0.8
140.01201	0.6
141.01962	1.1
143.03563	0.6
147.83296	0.5
151.00375	6.3
153.01942	0.9
153.09180	0.6
161.04605	0.9
161.13454	0.6
163.11328	3.9
165.01955	0.7
168.00589	2.6
169.01440	100.0
170.01810	2.5
181.01497	0.9
181.12355	15.2
182.12643	0.7
183.02901	0.5
193.01414	2.0
195.13951	2.8
207.10297	1.5
211.02487	4.8
223.13406	7.9
225.11334	68.2
226.11635	2.6
231.68275	0.5
239.12854	0.9
244.62750	0.5
247.02458	1.1
267.12363	11.4
297.13458	7.8
313.05643	2.2
327.14508	26.3
328.14902	1.3
387.16614	37.9
388.17072	2.5
479.15552	1.0
495.18152	0.9
521.16553	3.4
539.17627	56.9
540.18042	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	539.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57318	0.6
59.01388	49.1
63.93606	0.7
68.10818	0.7
70.62745	0.6
70.68500	2.0
71.01387	9.2
71.22332	0.7
78.76071	0.6
83.01387	1.1
85.02958	1.8
89.02460	11.0
93.90598	0.7
95.01406	1.7
96.10021	0.7
99.00912	0.8
101.02438	7.7
107.01404	1.9
108.27470	0.7
113.02478	3.9
119.03513	4.0
123.00914	3.3
125.02457	10.3
139.00372	1.0
140.01152	2.0
147.08136	0.8
151.00372	2.3
156.83337	0.7
163.11305	36.8
165.05635	0.8
168.00626	3.1
169.01433	11.2
177.04042	1.0
211.02496	9.3
224.30614	0.6
244.77313	0.7
271.04654	7.6
369.15738	0.9
387.16626	58.0
388.16898	3.9
479.15457	2.8
521.16534	3.3
539.17719	100.0
540.18097	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	539.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	56.1
62.97157	0.8
70.56448	2.1
70.56803	1.6
71.01391	12.1
72.99327	1.7
73.02966	1.2
78.92568	1.1
82.37036	1.0
83.01414	1.0
85.02983	2.0
87.00857	1.0
89.02458	12.8
93.07925	1.1
95.01400	3.4
98.20504	1.0
101.02454	8.8
106.68559	1.0
107.01367	4.7
111.00868	2.0
113.02451	4.0
118.63314	0.9
119.03543	4.9
123.00895	14.2
124.01709	2.0
125.02460	18.7
139.00366	3.3
140.01157	3.5
149.04547	1.2
151.00389	7.2
163.11304	5.3
168.00665	4.2
169.01443	22.5
207.10257	10.9
211.02538	7.5
271.04596	8.0
313.05820	1.1
387.16626	49.9
388.16895	3.3
443.68616	1.1
447.42383	1.1
479.15482	5.3
521.16553	3.6
539.17072	100.0
540.18256	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	539.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23597	1.4
59.01386	31.7
69.84284	7.8
69.84578	1.7
71.01395	27.1
72.99324	1.6
73.02946	2.8
78.95904	2.8
81.03529	1.4
84.95157	1.3
85.02962	5.1
85.88979	1.3
87.00898	8.9
89.02457	49.6
95.01403	2.0
96.96988	2.9
101.02453	24.5
113.02454	14.7
119.03523	10.2
125.02456	1.5
131.03520	2.7
143.03500	4.0
159.14259	1.4
161.04572	10.3
179.05626	52.8
197.02299	1.6
221.06689	23.5
281.08752	4.7
323.09921	4.2
341.10995	7.8
377.08551	19.2
383.11923	3.3
480.46841	1.8
503.16245	100.0
504.16220	6.9
539.13879	50.6
540.14398	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	539.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14022	0.6
53.21759	0.6
59.01388	44.8
69.20851	7.5
71.01391	10.3
72.99293	0.7
83.01376	1.2
85.02955	1.2
89.02448	8.6
95.01396	1.5
98.20690	1.6
99.77989	0.7
101.02458	7.8
104.33543	0.6
107.01395	2.2
113.02464	5.3
119.03538	4.8
123.00879	3.4
125.02469	8.5
139.00359	1.9
140.01161	1.0
151.00351	1.0
163.11307	40.5
164.11638	1.3
168.00655	2.1
168.96587	0.7
169.01442	12.3
171.30635	0.7
190.29042	0.6
211.02487	7.4
271.04681	7.6
387.16638	56.9
388.17087	4.3
479.15771	4.3
521.16956	3.6
539.17737	100.0
540.17975	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	537.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12843	0.3
61.98810	0.4
70.97321	0.9
74.37114	0.3
76.64861	0.3
82.78640	0.3
100.28466	0.3
123.45645	0.3
173.24896	0.3
284.57120	0.4
313.15686	0.3
315.50671	0.4
398.96280	0.4
455.35355	100.0
456.35745	9.1
537.35712	53.5
538.35925	4.9
550.61407	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61294	0.3
55.01880	0.6
57.03460	0.5
59.01383	2.4
61.98837	5.7
67.01891	1.2
69.03467	0.8
70.40244	0.5
71.01387	4.6
72.99325	0.5
73.02956	1.3
77.08900	0.3
78.95882	0.4
79.01900	1.1
81.99801	0.3
83.01402	1.3
85.02962	2.4
87.00890	0.6
87.04544	0.5
89.02467	0.9
93.03487	0.7
93.47588	0.3
95.01415	2.1
96.96045	0.6
97.02966	0.8
98.20463	0.4
99.00900	0.3
101.02444	2.5
107.01405	10.0
110.00102	0.5
111.00897	1.7
113.02450	2.5
116.22964	0.3
117.03566	0.3
121.03001	0.4
123.00901	13.1
123.04531	0.6
124.01685	1.0
125.02461	38.1
126.02793	0.7
127.00389	0.5
127.02686	0.3
136.98811	1.2
137.02446	0.7
139.00386	4.1
140.01144	2.9
141.01923	2.0
145.01567	0.3
145.02893	0.5
151.00394	8.3
151.04004	0.5
153.01961	0.3
161.02481	0.3
161.04576	0.9
163.04095	0.5
166.02737	0.3
167.03482	0.4
168.00650	3.6
169.01442	49.7
170.01811	0.8
179.03537	0.6
181.01343	0.4
193.01494	0.4
211.02472	1.1
223.06361	2.8
253.03519	0.9
266.09302	0.3
297.06061	0.5
313.05661	10.5
416.74280	0.3
430.91397	0.3
451.10355	0.4
466.55356	0.4
468.95563	0.3
511.12360	0.6
538.13556	100.0
539.13831	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	537.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19885	53.8
61.98830	100.0
67.49487	71.2
70.30267	50.6
71.56538	53.4
89.65583	55.6
92.98688	49.1
255.99181	58.1
256.07718	61.7
511.97266	64.2
537.33075	56.9
561.24255	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04586	100.0
73.28482	39.8
89.35719	40.9
91.18977	42.3
101.90901	44.4
147.41286	38.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2994
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
59.01380	53.9
60.94484	10.7
61.98855	13.7
70.97958	31.1
72.06154	10.8
81.66169	11.2
105.05350	11.1
105.20486	10.6
114.71644	10.4
115.48811	11.1
120.33537	11.4
125.40444	13.0
169.59740	10.5
289.61642	15.7
392.30832	11.1
501.32224	16.0
511.43320	12.9
527.75311	11.4
537.29742	100.0
538.30750	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	537.2994
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
51.73641	11.1
59.01376	26.1
98.19753	15.8
112.62589	8.4
121.88699	8.2
125.90430	9.0
183.23625	9.1
209.11853	7.8
218.48125	10.5
345.22668	9.6
451.32840	10.2
477.27014	26.8
537.29877	100.0
538.29932	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	537.2998
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47852	2.9
59.01391	25.8
61.98825	9.0
66.10424	3.1
69.49117	15.2
69.49521	8.8
71.01379	8.9
76.63400	2.9
81.05328	3.1
85.02946	6.7
88.98793	4.1
89.02403	4.0
89.52812	3.4
90.67228	3.0
94.20882	3.0
96.96014	4.2
97.06613	3.9
101.02451	9.8
104.67681	3.8
123.08144	15.7
131.03525	5.1
141.09152	6.3
150.06877	4.6
162.06871	8.6
187.09767	58.1
204.21405	3.4
234.13646	3.5
245.04605	3.4
339.25543	4.2
345.22800	22.1
374.37158	3.2
501.32382	79.7
502.32794	8.9
536.84528	3.5
537.30145	100.0
538.30353	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	537.2996
Annotation	Batrachotoxin
Peak:m/z	Relative Intensity
53.16646	10.5
58.79618	9.7
59.01378	38.7
59.07045	12.2
60.13846	10.4
61.98830	26.1
71.14030	26.6
72.46114	10.5
79.98061	10.7
80.96487	11.6
96.96004	32.1
104.06773	11.1
147.48927	11.2
149.02617	11.0
169.01482	13.7
177.37410	11.2
305.82074	12.4
392.03516	12.6
501.32358	52.9
537.20331	27.6
537.29718	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26402	0.3
51.43779	0.3
57.03440	0.3
59.01389	5.1
67.01904	0.8
69.03467	0.7
69.25780	3.6
70.88998	0.4
71.01395	3.2
72.99307	0.6
73.02945	0.7
79.01897	1.1
83.01386	1.0
85.02943	1.0
87.00878	0.7
88.98807	0.5
89.02447	1.6
95.01403	1.9
97.02942	0.5
98.19849	0.6
101.02444	2.5
107.01397	3.7
109.02934	0.4
110.00148	0.4
111.00908	2.3
113.02456	1.5
119.05029	0.4
123.00903	12.6
124.01675	3.1
125.02464	37.0
126.02795	1.0
127.00379	1.0
132.42969	0.4
136.29198	0.4
136.98816	1.3
139.00403	5.4
140.01167	3.4
141.01944	1.7
151.00380	7.8
153.01988	0.6
161.09773	0.4
163.03951	0.6
166.99857	0.5
167.03387	0.8
168.00671	7.3
169.01445	48.5
170.01796	0.9
176.08426	0.5
178.09979	0.4
179.10686	0.9
187.11302	0.7
190.09854	0.5
199.01509	0.4
205.12378	1.1
211.02504	9.2
241.03549	0.5
249.03717	0.4
253.03586	0.5
271.04599	11.5
272.04913	0.5
285.04095	1.2
287.07782	1.0
287.87207	0.4
297.06253	0.6
313.05780	2.8
323.98752	0.4
326.94308	0.4
331.06766	3.2
447.09735	0.7
449.18451	0.9
493.17136	3.2
494.18344	0.6
537.19958	100.0
538.20294	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	537.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.2
63.66170	0.4
67.01883	0.5
71.01381	3.2
72.99333	0.4
75.64075	0.4
79.01886	0.6
80.72366	0.3
85.02939	0.7
89.02450	1.5
92.12566	0.4
93.09833	0.4
95.01393	0.8
96.96017	0.8
97.02949	0.5
101.02441	0.9
107.01400	3.8
111.00889	1.6
113.02486	0.7
123.00906	5.8
124.01652	2.6
125.02466	23.0
127.00360	0.7
136.98846	1.6
137.02467	1.7
138.03275	0.5
139.00375	3.2
139.03989	0.9
140.01204	3.2
141.01987	0.7
145.02962	0.7
149.02470	0.6
151.00383	3.5
161.02495	0.7
165.01974	0.6
166.02744	0.7
167.03545	1.3
167.99219	0.6
168.00664	13.4
169.01447	36.0
170.01819	0.7
173.02534	0.4
181.01396	0.6
181.05103	1.1
183.02966	0.5
211.02498	55.7
212.02934	1.6
217.01352	0.7
229.23450	0.4
233.29738	0.4
241.03511	1.1
245.00923	0.5
246.01753	0.4
271.04611	100.0
272.04950	3.3
273.00439	1.5
307.08377	0.6
323.08002	0.4
331.06741	25.3
332.07071	1.4
375.09521	1.1
375.14023	0.5
537.12738	1.7
537.19861	32.4
538.19977	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	537.198
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
55.01846	0.6
59.01380	5.1
65.00326	0.7
67.01906	0.7
69.48008	4.5
71.01381	5.5
73.02972	0.8
75.00884	0.7
79.01889	0.9
81.57509	0.7
82.71142	0.5
83.01391	1.0
85.02955	2.7
87.00914	0.7
89.02437	3.6
95.01376	1.6
96.96024	1.5
98.20665	0.6
99.00923	0.8
101.02443	2.7
103.22465	0.6
107.01422	4.3
110.44375	0.6
111.00893	2.5
113.02462	1.9
119.03490	1.1
123.00902	13.1
124.01711	0.9
125.02457	17.6
136.01657	1.4
136.98845	1.5
139.00386	4.2
139.10988	0.6
140.01204	3.2
141.01933	1.5
150.03271	1.1
151.00388	8.4
151.04030	2.9
153.09248	1.4
154.99838	0.7
165.05623	1.3
168.00667	4.6
169.01431	26.8
170.01837	0.7
181.05086	1.2
181.24487	0.8
195.06546	1.1
211.02490	16.2
241.03708	0.8
271.04620	23.3
327.12350	2.3
329.10196	0.9
331.06696	2.2
357.13644	0.8
360.11963	0.7
375.14435	2.6
392.64114	0.6
393.42850	0.7
525.32379	0.7
537.19806	100.0
538.20190	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
58.59041	0.6
59.01381	5.0
62.44355	0.5
67.01884	0.6
71.01395	3.3
75.21199	0.5
79.01891	1.0
83.01394	0.6
85.02985	1.2
89.02441	2.4
95.01399	1.5
97.02946	0.7
101.02465	1.4
107.01405	4.5
111.00874	2.2
113.02457	0.9
123.00898	11.8
124.01665	1.6
125.02459	16.9
126.02804	1.0
127.00402	0.8
136.98811	1.2
139.00403	5.5
140.01167	2.9
141.01907	1.7
151.00401	8.0
153.09251	1.1
165.01953	0.9
166.99860	1.3
168.00667	5.4
169.01443	24.0
177.04025	0.7
205.12357	2.5
211.02487	12.5
234.97404	0.5
271.04620	13.2
302.29147	0.5
313.05655	1.2
333.36884	0.6
397.23782	0.6
537.19800	100.0
538.20154	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	537.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01116	0.3
59.01390	4.3
67.01877	1.0
69.03455	0.4
69.66649	1.8
69.67004	0.2
71.01389	2.8
72.99303	0.8
79.01894	1.0
82.36246	0.3
83.01391	0.8
84.85081	0.3
85.02958	1.3
87.00893	0.7
89.02440	0.7
95.01395	1.8
97.02940	0.6
99.00862	0.3
101.02475	1.8
107.01397	4.9
110.00099	0.4
111.00902	2.3
113.02472	0.9
119.03506	0.3
123.00907	13.3
124.01749	1.5
125.02461	18.0
127.00423	0.5
131.46719	0.3
136.05289	1.0
136.98802	1.2
138.06895	0.3
139.00383	5.4
139.03960	0.4
140.01161	3.7
141.01938	1.5
151.00386	9.7
152.00635	0.4
152.08435	0.6
153.09216	0.9
154.99812	0.4
161.09718	0.3
163.04068	0.3
167.03448	0.5
168.00661	5.4
169.01443	24.5
170.01758	0.5
177.04077	0.6
179.03473	0.4
181.04921	0.5
205.12416	1.4
211.02498	6.4
247.76489	0.3
253.03395	0.3
270.03830	0.3
271.04633	5.2
313.05777	1.6
378.77740	0.3
537.19806	100.0
538.20160	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	537.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32329	0.4
58.00578	0.5
59.01383	7.6
60.99303	1.5
61.98819	0.7
67.01905	1.0
68.99834	0.4
69.03458	0.5
69.65041	2.0
71.01385	5.2
72.99326	0.8
73.02940	0.7
79.01918	0.9
83.01384	1.2
85.02951	1.4
87.00869	0.6
88.86837	0.4
88.98814	10.0
89.02466	3.1
95.01399	1.6
95.33102	0.4
96.96015	3.1
97.02955	0.9
98.19887	0.6
99.00861	0.5
101.02460	2.6
107.01383	4.0
109.02992	0.4
111.00896	2.6
113.02461	1.9
118.60928	0.4
119.03517	0.7
119.04945	0.4
121.03017	0.9
123.00902	13.1
124.01671	1.1
125.02460	25.4
126.02792	0.7
127.00381	1.1
133.02989	1.1
136.98820	1.1
137.02467	0.8
139.00378	4.3
139.04008	0.7
140.01164	3.2
141.01971	0.9
149.43791	0.4
150.94258	0.4
151.00378	10.7
153.01959	0.9
156.54871	0.4
163.04071	0.4
165.01967	0.4
166.99884	0.4
167.03593	0.5
168.00641	6.1
169.01442	32.8
170.01785	0.8
175.04085	0.6
193.01472	0.5
211.02478	10.1
211.04382	0.6
212.02924	0.5
217.05081	0.6
241.03452	0.5
253.03395	0.5
256.03867	0.4
271.04614	13.8
272.04813	0.5
284.03290	0.8
285.04071	28.6
286.04474	1.4
292.38898	0.4
297.06107	0.8
300.99869	0.5
313.05676	2.7
331.06815	1.2
359.00458	0.5
375.19421	1.6
418.63251	0.4
447.09323	16.8
448.09894	1.1
477.29181	0.4
493.17474	1.5
537.19843	100.0
538.20288	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	537.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06797	0.3
58.00587	0.5
59.01381	5.1
67.01883	0.7
68.82113	0.4
69.51401	2.7
71.01385	2.8
79.01900	0.7
81.03471	0.4
85.02955	0.7
88.98817	1.4
89.02477	1.3
95.01400	0.9
101.02463	1.4
104.88213	0.4
107.01405	5.0
109.02970	0.4
110.00058	0.4
111.00909	2.6
113.02467	0.6
121.02974	0.5
123.00902	7.6
124.01654	2.7
125.02462	29.0
126.02742	0.5
127.00391	0.8
136.98827	1.5
137.02464	0.8
139.00392	3.6
140.01181	3.8
141.01955	1.1
146.50842	0.4
151.00394	4.2
153.01906	0.6
153.09264	0.4
158.67819	0.4
165.01886	0.7
167.03500	1.5
168.00670	12.9
169.01453	39.0
170.01743	0.8
178.25089	0.4
183.03091	0.5
187.11333	1.0
191.60689	0.4
193.01460	0.6
211.02501	57.6
212.02853	1.3
231.48572	0.4
241.03526	1.6
271.04611	100.0
272.04984	4.1
285.04041	1.2
313.05737	0.5
331.06738	17.9
332.07147	0.8
352.60690	0.4
447.09409	1.4
519.18817	0.5
537.19812	36.9
538.20111	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	537.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	0.5
59.01384	8.9
61.98845	0.5
62.86491	0.5
68.00979	0.5
69.45667	1.8
69.46098	1.8
71.01392	5.8
72.62585	0.5
73.02957	1.2
79.01907	0.5
82.25603	0.5
83.01394	0.5
85.02986	0.9
88.98837	0.7
89.02453	8.4
89.02943	0.7
95.01378	0.7
96.96081	0.5
97.02987	0.4
99.00934	2.5
101.02464	4.1
107.01397	4.4
111.00903	1.7
113.02464	1.6
123.00907	5.0
124.01686	2.3
125.02460	25.3
125.10785	0.4
127.00450	1.0
131.03520	0.9
136.98846	1.8
139.00403	3.7
139.03954	0.6
140.01190	2.8
143.03487	0.6
149.02554	0.6
149.04573	9.7
151.00366	2.7
165.01930	0.8
165.24132	0.5
166.99945	0.8
167.03525	1.8
168.00661	13.7
169.01445	34.6
170.01776	0.8
183.02945	0.5
191.03398	0.5
191.05663	1.5
211.02499	55.4
212.02907	1.0
221.06714	1.6
222.91510	0.5
240.22624	0.5
241.03540	1.0
251.07640	1.4
271.04611	100.0
272.05075	2.8
275.01718	0.6
293.08926	0.7
301.00046	1.0
311.09927	1.4
313.05743	0.6
331.06732	20.7
332.06961	1.0
438.53952	0.8
519.18756	1.1
537.12592	1.5
537.19977	25.9
538.20435	2.0
547.29663	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.8
59.01394	4.6
63.44939	0.8
67.01894	2.3
69.03444	1.4
69.37399	0.7
69.49538	6.3
70.90316	0.9
71.01383	4.5
73.02952	3.0
78.75892	0.7
79.01891	2.7
81.03450	1.0
83.01366	1.0
85.02972	2.3
87.00909	0.8
87.04533	1.0
89.02473	1.0
95.01382	3.8
97.02979	2.2
99.00834	0.8
101.02448	3.5
101.16340	0.8
107.01395	9.9
111.00877	1.5
113.02462	2.8
123.00900	25.1
124.01654	1.3
125.02465	58.5
125.06065	1.8
135.08195	1.3
135.11792	3.0
136.98840	0.9
137.02455	0.8
139.00365	6.2
140.01186	1.4
141.01976	2.3
151.00377	12.9
153.01997	1.3
159.08136	1.8
159.11794	3.1
161.09729	5.3
165.01927	1.5
166.99748	0.9
167.03502	1.6
168.00716	5.0
169.01448	100.0
170.01791	2.3
175.11237	0.9
177.12883	3.8
179.10797	14.1
183.03012	1.3
186.35020	0.8
193.01428	1.5
193.12335	1.8
203.10866	1.6
205.08722	1.7
211.02522	11.3
221.11922	5.8
223.02591	1.0
223.09766	8.5
253.03526	1.7
265.10910	5.2
281.13995	1.1
295.11850	2.4
313.05652	6.8
318.77167	0.9
325.12952	11.5
326.13330	1.3
335.90588	0.9
375.10876	1.5
385.15048	8.9
433.14987	1.6
477.13977	1.4
493.17188	54.3
494.17563	3.1
519.15381	2.0
537.16180	72.8
538.16675	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	537.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37182	0.7
55.99329	0.6
57.03469	0.6
59.01393	5.4
61.98855	1.1
67.01916	0.7
69.03478	2.3
69.34801	5.7
71.01385	6.0
73.02974	1.8
78.36565	0.8
79.01924	2.0
79.27254	0.7
81.03476	0.9
83.01416	1.3
85.02983	2.3
89.02470	1.1
91.74030	0.6
95.01423	2.6
97.02998	3.0
97.06593	0.8
98.19938	1.6
101.02436	5.2
107.01402	16.3
111.00899	1.5
111.04570	1.3
113.02465	1.4
116.92886	2.4
117.92919	1.1
118.92722	1.3
123.00897	16.3
123.04512	0.7
124.01666	1.1
125.02462	67.8
125.06098	1.5
126.02813	1.4
135.08203	1.1
135.11780	5.3
137.02440	1.2
139.00388	4.6
140.01204	1.2
141.01974	2.0
151.00400	9.7
153.02032	0.9
156.99632	0.8
159.08168	1.4
159.11844	2.0
161.04655	1.1
161.09749	6.0
167.03537	1.2
168.00681	3.1
168.76685	0.7
169.01447	100.0
170.01791	2.4
173.41112	0.7
175.11360	1.1
177.12918	1.8
179.10786	24.1
183.02977	1.2
193.01431	2.0
193.12389	1.5
203.10706	1.9
205.08730	1.9
211.02510	8.6
221.11833	1.4
223.07646	0.8
223.09773	15.5
224.10187	1.1
237.11281	1.0
241.03642	0.8
247.02591	0.8
265.10858	9.3
271.04633	6.5
285.04114	1.1
295.11844	8.4
313.05698	14.4
314.06189	0.8
325.12967	21.9
326.13376	1.5
331.06677	2.2
367.13968	2.1
385.15079	57.6
386.15347	3.0
477.14246	1.0
493.17194	11.0
494.17740	0.9
537.15973	43.9
538.15875	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16720	0.9
57.03438	0.8
57.51973	0.9
59.01142	1.1
59.01389	10.1
67.01903	1.6
69.03453	1.7
69.33102	7.9
69.33427	1.0
71.01385	10.5
73.02951	2.0
79.01907	3.1
81.03458	0.8
83.01395	1.6
83.05047	1.1
85.02942	2.3
89.02459	2.4
93.03454	2.5
95.01405	4.2
96.70491	0.9
97.02946	2.0
101.02434	5.1
107.01399	16.3
111.00895	1.4
113.02436	3.3
121.10239	1.8
123.00898	30.0
123.04481	1.1
124.01686	1.9
125.02458	74.4
126.02802	1.5
133.10251	1.5
135.11833	4.6
137.02469	1.2
139.00395	8.8
139.68663	1.0
140.01134	2.4
141.01999	4.9
149.09641	1.4
151.00394	17.0
153.01913	1.7
155.03456	0.9
159.08150	2.3
159.11780	3.4
161.04486	1.1
161.09732	12.0
165.01868	1.4
166.99832	1.1
167.03488	1.2
168.00705	4.8
169.01436	100.0
170.01707	2.5
175.11282	2.2
177.12944	1.5
179.10783	19.9
183.71313	0.8
185.65237	0.8
193.01437	2.2
193.12373	3.9
203.10805	14.2
204.11171	1.5
211.02473	8.9
213.05577	2.6
216.60065	0.8
221.11862	5.3
223.09764	14.5
225.32899	0.8
233.11957	1.0
251.13034	1.0
253.03488	1.6
265.10718	1.4
295.08777	0.8
295.11816	5.3
313.05682	3.3
325.12903	20.9
331.06656	2.2
385.15073	33.6
386.15167	1.5
493.17163	44.9
494.17413	2.6
537.16132	57.4
538.16632	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	537.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68755	0.3
59.01394	1.5
61.98849	0.9
62.50030	0.3
63.50073	0.4
67.01930	0.5
69.03479	1.8
69.61008	2.4
71.01400	1.2
76.58376	0.3
79.01889	0.8
81.03482	1.0
83.01414	0.4
85.02991	0.5
88.09851	0.4
88.98827	1.2
89.02467	0.8
95.01414	1.3
96.96049	0.7
97.02959	2.3
99.10357	0.3
101.02480	0.5
107.01414	1.3
111.00896	0.8
113.02463	0.6
119.05041	0.8
119.51389	0.4
121.02921	0.5
123.00889	4.0
123.04549	0.8
124.01685	3.9
125.02460	81.5
126.02802	0.9
135.11865	0.5
137.02461	0.5
137.15160	0.4
139.00394	1.4
140.01237	0.7
151.00363	1.5
151.03902	0.5
160.03958	0.5
163.04053	0.7
166.99829	0.7
167.03499	0.9
168.00652	6.2
169.01440	100.0
170.01761	2.1
179.10829	2.1
193.01459	0.4
211.02461	1.9
219.30710	0.4
223.09761	1.2
271.04614	0.8
285.04071	2.3
287.07764	0.7
300.99658	0.4
313.05695	4.1
323.66745	0.4
325.12988	0.5
331.06680	5.2
352.83185	0.3
385.15039	1.7
443.12958	0.3
447.09012	1.5
449.17938	1.5
471.49326	0.3
493.10434	0.7
493.17197	13.8
494.17398	1.0
507.20605	0.4
519.19983	1.2
537.15924	44.5
538.16455	3.5
544.35632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	1.8
59.80562	0.5
60.99003	1.0
60.99314	15.7
67.01906	0.6
69.28944	3.9
69.29369	1.9
71.01380	1.3
71.02135	0.6
85.02991	0.6
88.98817	100.0
89.02467	1.0
89.99129	0.8
98.19920	1.0
102.82909	0.7
107.01406	1.2
113.02434	0.7
123.00892	3.2
125.02441	5.4
129.79655	0.5
133.03006	1.7
139.00397	1.1
140.01201	0.7
151.00380	2.4
168.00639	2.4
169.01451	7.7
169.52390	0.6
187.48187	0.6
194.92175	0.5
211.02542	4.2
213.19766	0.5
271.04599	6.0
285.04074	24.5
286.04251	1.4
434.96426	0.6
447.09402	3.3
537.19788	27.3
538.20190	1.1
542.46948	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.162
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08037	0.3
55.77314	0.3
59.01389	2.5
61.19141	0.2
61.98839	4.1
67.01908	0.3
69.03462	1.7
71.01395	2.4
71.57462	0.4
72.99300	0.4
73.02973	0.5
79.01907	0.8
80.35258	0.3
81.03465	0.6
82.00609	0.3
82.95416	0.4
83.01406	0.7
84.77569	0.3
85.02965	0.8
88.98814	1.2
89.02447	0.8
93.03466	0.3
95.01405	0.9
96.96007	0.6
97.02959	1.4
101.02447	1.4
103.04028	0.3
104.84754	0.2
106.80880	0.3
107.01408	1.0
110.00099	0.4
111.00921	0.9
113.02460	1.2
119.03530	0.3
119.05048	0.8
121.02988	0.4
123.00892	1.7
123.04536	0.7
124.01653	0.8
125.02460	53.7
126.02806	0.9
133.10262	0.4
135.11826	0.8
137.02417	0.5
139.00391	5.9
140.01125	0.5
141.01898	0.4
141.09259	0.4
145.02963	1.1
151.00369	0.6
152.01155	0.3
153.01944	3.0
154.02733	5.8
159.08200	0.3
161.04582	0.9
161.09743	1.1
163.04013	0.7
167.03529	0.9
168.00665	1.1
168.04266	0.6
169.01447	100.0
169.05061	9.1
170.01796	2.4
170.05334	0.3
175.03949	0.3
179.10829	1.4
181.05138	0.4
203.10803	0.4
206.99919	0.4
211.02519	0.8
223.09741	0.6
226.15262	0.3
266.69769	0.3
268.79990	0.3
271.04639	0.6
285.04163	0.5
300.99954	0.3
313.05640	0.7
325.12820	0.4
331.06686	1.1
331.10428	0.5
340.21170	0.4
367.14114	0.3
385.15155	0.7
447.09656	0.4
477.30737	0.5
493.16888	1.6
537.16693	4.0
537.32367	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79689	0.2
62.68252	0.2
70.10998	0.7
79.95753	2.6
96.96021	100.0
125.02435	1.4
158.84547	0.2
161.02547	0.3
169.01440	2.0
181.11502	0.2
245.00931	0.8
273.00430	2.2
273.40665	0.2
274.01154	0.6
288.25278	0.2
301.00006	0.3
301.70383	0.2
305.98297	1.3
306.99060	0.3
313.05771	0.3
339.16943	0.2
375.14636	0.4
439.08789	2.0
493.04477	0.8
537.03827	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61213	0.7
51.33730	0.7
54.10170	0.9
59.01380	1.7
60.99305	5.6
62.20701	0.8
69.52555	5.4
71.01368	1.2
71.16734	0.8
88.98819	29.0
102.49808	0.8
107.01401	1.7
111.00908	1.1
123.00887	2.5
125.02464	4.3
133.02988	4.3
138.73996	0.8
139.00395	1.0
149.02440	1.7
151.00363	5.4
169.01437	6.9
175.04016	3.3
199.04037	2.2
201.02000	0.8
211.02454	1.7
217.05031	1.1
241.05077	0.8
243.15816	0.9
255.36804	0.8
256.03683	1.7
271.04538	2.2
284.03290	2.8
285.04065	100.0
286.04395	4.5
447.09369	57.4
448.09686	2.6
537.19299	14.8
537.25842	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	536.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65357	1.0
55.01886	1.6
57.03449	1.6
58.00597	5.0
59.01387	100.0
61.98833	2.9
66.24133	0.9
67.98633	0.8
70.46661	2.0
70.46986	1.0
71.01389	59.2
72.01718	0.9
72.04552	3.7
72.99317	6.9
73.02944	1.1
78.07910	0.9
83.01401	2.2
85.02953	13.7
85.96026	0.9
87.00889	3.5
89.02455	96.3
91.55043	0.9
95.01424	4.4
100.04045	1.2
101.02451	42.1
113.02465	24.9
119.03516	42.1
120.06672	1.0
125.02464	2.1
131.03516	3.9
143.03500	6.0
149.04558	4.3
161.04573	8.5
162.81837	0.9
179.05632	21.7
202.21452	0.9
219.67712	0.9
223.20705	1.4
225.22267	23.5
253.21706	3.2
255.23474	1.2
270.24319	1.2
271.22815	11.8
272.22983	1.1
296.25970	1.8
326.27026	54.1
327.27383	2.3
356.28113	9.8
374.29141	15.7
375.29437	1.4
476.33447	0.9
501.32224	2.5
536.34448	75.3
537.34686	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	535.32
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
60.53545	14.9
61.98827	35.6
63.50666	14.2
67.94489	14.3
71.56457	23.6
80.59033	16.0
96.96014	21.9
101.20106	17.0
155.93587	15.5
167.02159	15.7
230.76994	16.8
242.97134	19.7
478.12390	17.8
535.31598	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	535.3645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12192	0.6
59.01388	100.0
61.98848	1.7
72.65453	0.6
75.00894	0.6
76.10183	0.6
85.29466	0.7
96.96005	1.2
168.65913	0.7
267.09619	0.6
465.81509	0.6
475.34537	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	535.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.8
59.01385	9.8
61.98834	11.5
70.12492	2.7
71.01386	2.8
71.05032	0.6
72.43295	0.7
73.02969	1.3
78.95914	15.3
79.95747	2.8
83.01417	0.7
85.02968	1.3
89.02456	2.2
96.96021	100.0
96.96947	23.9
98.20559	0.7
101.02462	1.8
113.02512	0.7
116.92924	1.1
117.03492	0.8
118.96613	0.9
123.04530	3.8
125.02464	2.6
137.02420	0.7
145.02989	3.1
161.04594	1.4
163.04025	0.8
167.03503	16.6
169.01456	1.6
170.42343	0.6
185.05885	0.6
191.03540	1.9
200.63458	0.7
209.04465	0.8
251.76088	0.6
364.94150	0.7
441.06665	0.8
442.71387	0.7
475.25629	1.3
491.19751	0.7
499.32831	1.1
504.17950	1.3
535.21472	2.8
535.33118	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	535.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10793	2.7
52.42153	2.6
56.60737	3.0
59.01385	100.0
61.98839	79.4
67.92675	3.1
68.00612	2.9
69.87199	6.3
69.87587	6.6
71.01391	9.4
71.05032	6.9
82.95438	14.5
83.05046	6.4
85.02969	5.2
85.06580	6.5
86.93093	2.7
89.02410	3.2
98.19942	3.9
101.02481	4.7
116.92876	3.1
121.28987	2.9
121.44164	2.9
125.09653	3.5
153.12920	2.9
203.97255	2.9
205.16029	5.2
211.17078	5.6
236.84818	3.0
260.58276	3.5
293.24878	10.2
313.18118	14.8
337.23898	68.8
460.18741	3.6
475.34137	8.3
499.31088	8.8
535.33398	22.8
536.32782	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	535.1825
Annotation	Phellavin
Peak:m/z	Relative Intensity
58.78843	0.7
59.01382	6.0
59.69687	0.8
61.70127	0.7
61.98833	11.2
67.10565	0.7
68.99554	0.9
71.01381	4.5
71.57613	1.3
73.02966	0.8
78.95895	0.8
81.03479	0.8
83.01418	1.6
85.02956	1.8
85.79308	0.6
89.02452	2.8
93.03479	4.4
96.96019	1.0
97.02970	1.1
101.02457	3.0
103.13107	0.7
107.01396	1.9
108.02174	1.2
109.02964	3.9
111.00884	1.4
112.98557	1.0
113.02459	1.5
117.03488	2.3
119.04987	1.7
121.02983	5.1
123.00916	3.8
123.04530	1.0
124.01672	2.4
125.02455	9.0
133.02992	0.8
135.04532	1.8
136.01675	37.0
137.02481	9.1
138.03264	6.0
139.04031	95.7
140.01169	2.1
140.04362	2.7
145.02991	7.2
149.02455	1.0
150.03229	1.5
151.00359	2.7
151.04027	44.2
152.01205	5.8
153.01955	3.0
160.05315	1.5
161.02481	1.8
161.04585	1.0
161.06140	0.8
161.09737	1.2
162.03247	1.6
163.04051	3.0
165.01941	1.7
165.05498	1.0
167.03511	6.3
168.00687	2.0
169.01445	12.3
170.02104	1.2
175.04030	1.8
175.07693	1.1
177.05577	1.7
178.02728	1.6
179.03474	3.4
181.05037	1.5
183.03008	100.0
184.03354	2.4
191.03619	1.3
195.02997	1.2
205.05113	0.8
205.12344	1.1
206.05807	1.4
209.00967	2.3
211.02490	5.2
227.01950	1.3
271.04651	6.7
300.99985	0.9
307.08328	1.6
313.05722	1.6
331.06891	1.5
345.08185	1.7
358.10623	23.1
359.10727	1.3
367.80066	0.9
373.12946	99.6
374.13293	5.5
421.11435	3.2
491.11942	1.5
517.17816	1.0
535.10895	11.0
535.18439	13.8
536.11023	0.9
536.18591	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1825
Annotation	CHEBI:68132
Peak:m/z	Relative Intensity
55.42379	0.4
59.01383	2.6
61.98839	5.9
65.69780	0.4
67.01889	0.4
68.99575	2.8
69.03457	0.5
69.33674	2.7
69.34087	1.0
71.01392	2.1
73.02921	0.4
83.05008	0.4
84.02158	0.4
85.02956	0.8
89.02459	1.4
93.03500	0.7
95.01404	0.5
96.96019	0.8
99.45998	0.3
101.02455	1.5
107.01408	0.8
108.02202	0.9
109.02947	2.0
112.98589	2.1
113.02490	0.8
119.05034	0.8
119.52640	0.4
121.02953	1.2
123.00908	2.3
123.04532	0.8
124.01688	1.3
125.02463	5.9
125.77812	0.5
132.73674	0.4
132.80511	0.4
136.01672	33.0
137.02469	8.8
138.03224	5.5
139.00348	1.2
139.04019	12.6
140.01175	1.4
145.02959	1.7
147.04573	0.5
149.02412	0.5
150.03224	1.1
151.00412	1.7
151.04019	44.6
152.01169	6.2
152.04343	0.8
153.01933	3.0
153.05705	0.4
160.05269	1.2
161.02454	1.0
162.03166	0.7
163.04051	1.2
165.01939	0.6
165.05524	0.7
166.02725	0.8
166.41113	0.4
167.03506	5.4
168.00632	0.7
169.01451	5.9
170.02184	0.9
171.36829	0.4
175.03961	1.9
175.07634	0.9
177.05554	1.1
178.02716	1.6
179.03470	3.5
181.05038	0.8
183.03011	11.9
189.05557	0.6
191.03477	0.9
192.04245	0.7
195.03046	1.0
206.05890	2.2
207.06596	1.5
209.01106	0.5
211.02489	1.2
221.08232	1.0
271.04614	1.6
301.00003	0.8
304.69748	0.4
307.07889	0.4
312.10229	0.8
313.05814	1.2
313.10614	0.4
325.11349	0.6
327.12433	0.6
343.12048	0.5
358.10611	23.1
359.10852	0.7
366.57458	0.4
373.12936	100.0
374.13394	5.4
388.21384	0.4
421.11426	6.0
535.11072	1.6
535.18311	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	535.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.5
61.98836	3.3
68.99575	0.9
69.26727	0.4
69.76319	2.8
71.01398	3.1
72.99337	0.7
73.02968	1.1
75.00902	0.6
83.01369	0.6
83.05060	0.6
85.02970	1.2
88.37064	0.5
89.02465	1.4
93.03472	3.5
95.01415	0.5
95.05046	0.6
96.96031	1.3
97.02953	0.6
101.02454	1.4
105.73067	0.5
107.01414	1.7
109.02975	1.9
111.04593	0.6
112.98620	1.3
113.02455	1.0
117.03481	1.9
119.03494	0.5
119.05051	1.5
121.02946	4.5
123.00908	1.8
123.04521	1.2
124.01651	2.0
125.02457	7.0
133.02971	0.9
135.04536	1.4
136.01677	15.1
137.02481	4.8
138.03239	4.4
139.04028	93.2
140.01190	1.1
140.04362	2.2
145.02977	5.6
149.02428	1.1
150.03220	0.6
151.00378	0.7
151.04025	19.6
152.01149	2.8
153.01967	2.2
161.02469	1.8
161.04489	0.8
161.09869	0.6
162.03378	0.6
163.04016	1.8
165.01945	1.7
167.03534	3.8
168.00667	1.0
169.01431	6.8
175.03975	0.8
177.05577	1.2
179.03503	2.2
181.05075	0.8
183.03001	100.0
184.03337	2.3
190.02718	0.6
191.03531	0.6
193.05074	0.6
195.02985	0.8
203.10802	0.6
205.12387	1.2
206.05734	0.6
209.00926	2.6
211.02438	3.3
227.01971	1.6
229.01424	0.5
252.58234	0.6
271.04626	4.8
289.02087	0.5
301.00128	1.1
307.08286	1.5
313.05594	1.0
323.07712	0.6
331.06738	1.3
343.12082	0.7
345.08133	1.5
358.10602	10.6
359.10510	0.6
373.12949	47.2
374.13397	2.4
421.11581	2.5
490.74509	0.7
491.11725	2.8
499.18329	1.0
517.09882	0.9
517.17773	0.7
534.26270	0.5
535.10876	11.2
535.18756	7.0
535.30731	0.5
536.11475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.0191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22259	0.2
59.01385	2.6
61.98832	0.8
68.67039	0.2
69.40399	1.5
69.40807	0.3
70.36510	0.2
71.01389	1.0
71.86763	0.2
72.99319	0.3
73.02965	0.4
77.57731	0.2
83.83578	0.2
85.02943	0.3
87.00906	0.4
89.02473	0.6
96.96011	0.4
99.92598	9.0
100.92622	0.4
101.02461	0.8
107.01424	0.3
113.02461	0.3
116.92876	100.0
117.03484	0.8
117.92893	2.7
119.03489	0.2
119.05041	0.8
121.02985	0.4
123.00879	0.6
123.04511	0.4
125.02470	4.4
137.02409	0.3
139.00414	0.3
139.31010	0.2
145.02980	2.6
146.03372	0.4
149.02490	0.3
151.00407	0.4
153.01953	0.3
160.04063	0.7
161.04555	0.4
163.04076	1.3
165.05698	0.2
168.00621	0.3
169.01451	5.8
170.01703	0.3
174.83604	0.2
177.09247	0.3
184.83476	0.2
221.08217	0.2
263.08948	0.3
285.04102	2.1
294.20975	0.2
313.05240	0.3
323.11523	0.5
383.13474	0.9
417.08255	0.7
471.08301	0.2
534.24615	0.3
535.14941	1.2
535.25482	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81291	0.3
59.01388	2.7
61.69561	0.3
61.98836	100.0
63.66608	0.3
71.01389	0.6
82.95449	0.4
85.14049	0.2
89.02469	0.3
96.67891	0.2
137.09837	0.5
215.27377	0.3
313.18277	0.4
377.25937	0.3
490.31815	0.3
534.31873	0.5
535.32861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15502	0.3
58.96378	0.3
59.01377	3.0
61.98837	100.0
64.65751	0.3
67.02500	0.2
69.84588	0.2
72.23820	0.3
85.02979	0.4
96.96011	0.3
98.36830	0.3
101.02462	0.6
107.11219	0.3
136.10942	0.3
137.09741	0.5
146.86908	0.3
155.49135	0.3
301.00082	0.3
313.18237	0.5
441.37430	0.3
534.24139	0.5
534.31787	0.9
535.33185	0.5
541.27252	0.4
542.73499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
61.98832	2.5
65.58170	1.0
71.56486	1.2
82.64384	0.9
87.37765	0.9
113.11144	1.0
145.02997	3.0
146.70294	1.0
249.74306	1.0
473.36584	4.7
524.56171	1.1
533.31348	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	533.3851
Annotation	3-Acetyl-24-epi-polacandrin
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	0.5
62.56918	0.3
70.70358	0.8
76.99813	0.3
81.91328	0.2
115.85392	0.2
141.24516	0.3
145.03021	0.2
215.43181	0.3
473.36490	7.2
473.42810	0.5
474.36975	0.5
533.31940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.349
Annotation	Agosterol F
Peak:m/z	Relative Intensity
52.64734	0.4
53.31225	0.3
53.95559	0.3
59.01388	100.0
60.01731	0.7
61.98854	0.7
71.01366	0.4
73.02941	0.5
77.22946	0.4
88.59914	0.4
94.32137	0.4
98.19835	0.6
193.82677	0.3
229.49510	0.4
284.49338	0.4
300.99847	0.4
423.29034	0.4
455.31805	2.4
473.32715	3.4
533.29730	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	533.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	5.8
61.98832	1.0
65.93591	0.4
71.01384	4.8
73.02951	1.3
83.01398	0.6
85.02962	2.2
88.87689	0.3
89.02457	2.6
89.03977	0.3
94.15395	0.3
98.20646	0.9
99.00926	0.6
101.02445	2.5
105.03436	0.6
113.02471	1.3
117.03505	1.7
119.03537	1.0
119.05058	0.9
125.02467	0.8
132.02190	1.5
133.02966	33.3
134.03523	0.6
135.04538	7.2
137.02440	2.0
138.03279	0.7
145.02971	2.4
151.04089	0.4
161.02454	100.0
162.02829	2.6
163.04051	0.9
169.01508	0.7
179.03537	3.6
315.78214	0.4
335.22092	0.7
339.83331	0.3
356.09088	2.6
371.11389	5.7
402.08157	0.4
406.76059	0.4
426.62402	0.4
452.09537	0.4
495.28036	0.8
533.23938	79.7
534.24353	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	533.225
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01104	5.3
59.01385	65.3
61.48768	2.8
61.98840	10.8
64.79161	3.0
69.37497	6.8
69.37876	25.2
71.01392	45.1
72.99307	3.2
73.02950	12.3
75.00865	4.0
78.95914	15.7
80.57378	3.3
82.95446	15.1
84.95130	100.0
85.02963	7.6
89.01929	6.2
89.02458	84.8
93.03457	12.7
94.21375	3.2
96.96030	19.9
99.00883	20.6
101.02456	30.2
113.02455	10.2
119.05043	6.9
121.02892	5.3
123.00894	5.1
125.02437	8.6
131.03532	12.9
143.24509	3.0
145.02933	8.4
149.04570	63.5
160.04033	35.6
161.04408	18.5
162.91116	2.8
163.04048	6.1
165.01895	9.4
165.22792	3.4
169.01346	6.4
179.10750	10.1
180.24927	3.5
191.05588	13.0
195.06442	3.4
221.06679	4.9
224.46968	3.4
225.07710	6.0
251.07816	5.1
256.19077	2.7
271.04440	3.5
285.04126	20.0
358.38699	3.2
387.13712	4.8
447.09280	16.2
533.17944	11.1
533.24823	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	533.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
58.00597	0.5
59.01389	40.9
60.01722	0.5
61.98856	0.9
69.33454	3.3
71.01394	7.6
73.02966	0.6
74.27975	0.5
75.91839	0.4
77.00269	0.5
83.01396	0.4
83.35088	0.4
85.02956	1.5
89.02457	9.0
96.96009	2.4
101.02460	6.5
109.06546	0.5
113.02499	3.0
117.03480	19.8
118.03839	0.5
119.03580	2.8
119.05036	12.0
125.02525	0.4
133.06612	1.5
134.98318	0.4
137.03427	0.4
145.02971	74.4
146.03323	1.0
161.01886	0.4
161.06090	4.3
163.04022	11.6
163.11285	4.7
177.05602	1.4
205.05080	3.1
207.10291	7.8
235.06091	0.9
265.07172	1.5
285.04129	0.8
309.12228	0.5
369.15500	1.0
381.43509	0.4
387.16635	100.0
388.16995	5.4
473.17920	1.1
515.18677	0.5
533.20294	32.1
534.20532	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	533.19
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.6
61.98839	2.9
71.01373	1.9
71.97202	0.5
72.99306	0.6
73.02937	0.9
78.95911	23.8
79.95729	3.1
82.95425	0.9
85.02960	1.2
89.02447	1.3
95.01391	0.6
96.96014	100.0
96.96967	37.8
98.56989	0.5
101.02436	2.0
102.39220	0.5
113.02445	1.0
117.03495	2.2
119.05020	1.9
120.05360	0.5
121.02955	1.8
123.00891	1.6
125.02475	3.0
133.02934	1.8
135.04546	0.9
137.02461	0.8
139.00378	0.6
140.86098	0.5
145.02943	7.9
151.00371	0.7
161.02437	5.4
161.04538	0.8
163.03986	1.4
163.42879	0.4
165.01988	0.6
169.01506	2.9
179.03514	0.6
234.08557	0.5
236.82329	0.4
267.68024	0.5
273.03949	0.9
315.16415	0.4
533.13367	1.4
533.23859	8.2
533.32196	2.2
534.24725	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33568	0.7
54.63121	0.8
55.81100	0.7
56.43591	0.7
57.03434	1.2
57.71672	0.8
59.01386	40.2
61.98826	7.5
69.45805	6.4
71.01390	10.3
72.99314	1.2
73.02944	2.0
78.95884	1.0
85.02946	2.5
85.95815	0.9
87.00887	1.8
89.02460	9.6
93.03489	1.2
96.96014	7.1
99.00883	0.9
101.02454	8.2
113.02460	4.4
115.23872	0.9
117.03481	13.9
119.03574	4.8
119.05029	14.0
121.02950	1.4
121.34032	0.8
123.00921	1.1
123.04496	0.7
125.02437	3.0
133.02953	1.0
133.06598	2.5
137.02458	2.9
145.02965	55.7
146.03224	0.9
147.04500	0.9
160.04025	3.5
161.02368	1.3
161.04688	1.3
161.06073	4.0
163.04007	12.9
163.11304	29.6
164.11592	1.1
165.01912	2.0
167.38170	0.9
169.01393	3.5
177.05580	1.4
179.05437	1.1
199.09511	1.0
205.05074	4.2
248.57536	0.8
265.07053	2.2
284.03323	2.4
285.04080	4.2
299.99020	2.8
300.99887	3.2
369.15649	1.3
371.11313	2.7
387.16632	100.0
388.16898	4.2
452.27264	0.9
471.18668	2.2
473.18655	1.1
533.20502	22.2
533.31256	1.9
534.20673	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	533.1687
Annotation	3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
Peak:m/z	Relative Intensity
55.01877	2.4
57.03433	2.4
58.00602	3.9
59.01384	85.7
60.01715	0.7
61.98836	21.3
62.47406	0.6
67.01886	2.3
68.52322	0.6
69.03441	1.3
71.01388	64.4
71.57776	0.9
72.99315	5.5
73.02949	6.1
81.03464	1.0
83.01408	4.9
84.02172	0.9
85.02955	17.0
87.00874	2.3
89.02451	59.4
91.01907	1.4
93.03461	1.4
95.01407	5.8
97.02989	1.0
98.20577	0.8
99.00916	3.3
101.02451	42.4
107.01389	2.3
109.02959	3.7
111.00892	6.7
113.02457	28.5
114.02738	0.7
117.03452	9.3
119.01395	6.4
119.03519	25.0
119.05004	10.3
120.05315	1.4
121.02972	18.4
123.00868	3.9
123.04484	0.9
125.02460	7.2
131.03514	2.4
133.02975	1.0
135.04514	2.0
137.02454	32.3
138.03258	6.0
139.00356	1.1
140.01190	0.7
143.03514	2.4
143.05066	4.0
145.02965	36.5
146.03394	1.7
147.04552	1.7
149.02444	4.0
149.04510	1.6
151.00385	5.1
151.04033	5.6
158.79807	0.7
159.03001	1.9
161.02414	2.5
161.04555	9.9
161.06082	2.5
163.04031	9.2
164.04311	1.7
167.03464	0.8
168.00566	1.3
169.01443	6.8
173.06116	1.3
175.04008	1.5
179.03552	3.7
179.05612	2.1
193.01440	1.3
193.04980	1.0
205.05013	0.8
206.05754	2.3
207.68921	0.6
221.08194	0.9
235.06123	0.8
236.06424	0.9
265.07263	1.2
271.06259	4.4
341.10397	1.1
355.08450	1.6
356.09015	40.4
357.09509	2.2
363.23615	0.8
371.11353	100.0
372.11600	4.6
396.84210	0.8
411.12976	16.5
412.13455	1.2
473.27103	0.8
495.28278	3.9
497.29172	0.8
533.16614	14.5
533.24194	18.1
533.29968	1.1
534.16980	1.5
534.24872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01715	0.7
61.98848	2.4
62.30650	0.4
66.28387	0.3
69.96217	1.6
71.01390	1.6
73.02943	0.4
85.02956	0.8
87.04459	0.4
89.02456	1.0
91.01915	0.6
93.03471	0.8
98.20588	0.4
101.02460	1.6
107.60492	0.3
109.02995	0.5
111.00913	0.4
113.02465	0.6
117.03455	1.7
119.05025	1.5
119.19164	0.4
121.02972	1.0
124.06162	0.4
125.02439	1.1
133.02963	1.0
135.04552	0.9
137.02478	0.4
145.02994	5.8
147.03304	0.4
147.04478	0.5
161.02481	2.7
161.04613	0.7
163.04045	1.0
165.01988	2.4
169.01436	0.6
179.03630	0.5
188.73128	0.4
238.06416	1.0
252.07758	0.5
253.05042	0.4
253.08728	1.2
266.05762	0.7
275.01907	0.8
279.06744	0.5
281.04388	0.5
281.08249	1.1
282.08972	0.7
283.09702	3.6
311.09277	82.0
311.99142	1.7
312.09631	4.3
327.01501	1.9
353.05627	0.8
533.11859	0.7
533.23920	5.8
533.30927	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13548	0.5
51.69096	0.5
55.33019	0.5
59.01393	5.8
61.98824	2.5
69.24796	5.2
70.00386	0.5
70.63478	0.4
71.01390	5.7
72.99309	0.6
73.02939	3.7
77.97487	0.7
78.54541	0.6
82.95443	1.3
83.01395	1.0
84.95206	0.5
85.02975	2.8
89.02475	2.0
91.71262	0.5
95.01429	1.0
96.96004	2.9
98.20709	1.1
99.00929	0.7
101.02448	3.8
105.03493	0.9
107.01428	1.5
109.02981	1.2
111.00928	0.7
113.02473	1.8
117.03500	1.4
119.05042	1.0
121.02969	0.8
123.00914	2.5
123.04514	0.5
125.02473	4.8
132.02203	1.2
133.02969	37.7
134.03824	3.9
135.04541	36.0
136.04819	0.9
137.02467	2.5
138.52370	0.6
139.00407	1.0
139.04065	0.7
145.03032	0.5
147.04546	0.6
148.05281	0.9
149.06105	1.8
151.00398	1.3
151.03986	2.9
159.04607	0.8
160.01740	0.5
161.02460	100.0
162.02843	2.3
163.04045	0.8
165.05602	0.8
168.00638	0.5
169.01434	6.8
175.03961	2.8
176.04799	5.1
177.02037	1.0
177.05588	4.9
178.02705	1.0
179.03514	36.3
180.04192	1.6
181.01398	0.9
191.07164	1.8
194.04182	1.1
194.05865	14.9
195.06589	1.7
201.05896	0.5
203.03481	2.4
209.08229	9.7
215.16872	0.5
221.04562	7.2
233.04636	1.0
251.05621	0.8
259.15079	0.5
263.05640	1.6
280.05923	1.2
307.08432	0.6
323.07730	79.3
324.08200	3.5
337.09061	1.1
339.04974	0.7
346.58502	0.6
371.20627	0.8
383.04068	0.7
497.26321	0.8
511.11789	0.5
533.16858	43.1
534.16980	3.6
544.58215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82381	0.2
53.33814	0.2
57.03445	0.7
57.48046	0.2
58.00616	0.5
58.87355	0.3
59.01387	10.7
61.98842	3.3
65.00327	1.1
67.01897	0.4
68.02552	0.3
69.03498	0.3
71.01392	7.0
71.58031	0.3
72.99316	0.7
73.02960	1.3
78.95908	0.4
82.95445	0.4
83.01398	1.1
84.95123	0.4
85.02950	2.2
87.00893	0.5
89.02461	7.1
93.03492	0.4
95.01389	0.7
96.96017	1.1
97.02947	0.3
101.02470	4.4
102.94077	0.3
103.04025	1.1
107.01394	2.0
109.02972	0.3
111.00887	0.8
112.41203	0.3
113.02466	3.6
115.00443	0.3
116.25706	0.2
117.03489	5.9
119.01417	0.4
119.03544	2.4
119.05049	3.0
119.73411	0.3
121.02956	1.0
123.00900	1.2
125.02460	2.3
127.59506	0.3
131.03549	0.4
133.02966	8.1
136.01775	0.3
136.98878	0.4
137.02458	1.0
139.00395	0.4
140.01198	0.4
143.05038	0.3
145.02971	20.5
146.03333	0.5
147.04463	0.4
149.02475	2.0
151.00377	5.4
152.00758	0.4
160.04045	0.4
161.02452	0.4
161.04570	1.5
161.05981	0.5
163.04019	3.3
163.11328	0.4
165.05579	0.5
168.00644	0.7
169.01422	3.1
174.91573	0.3
175.04013	3.5
177.05550	0.3
179.05643	0.8
185.06073	0.4
186.81651	0.3
197.06084	0.5
198.03244	0.5
199.04005	2.4
201.01944	1.0
203.07251	0.4
207.10339	0.3
211.02464	0.3
213.05673	0.3
215.03531	0.5
217.05063	1.3
219.39618	0.3
241.05103	0.5
243.02942	0.8
253.05118	0.7
254.05318	0.3
256.03677	0.4
257.04520	0.3
265.07153	0.3
267.03006	0.3
271.04678	0.3
273.11469	0.3
284.03311	0.8
285.04080	100.0
286.04471	4.1
300.99927	0.5
313.05634	0.6
327.12228	0.4
333.20724	1.0
335.22183	0.5
353.10318	0.7
371.11331	2.1
371.15277	0.4
371.65317	0.3
387.16791	2.8
429.08218	1.4
515.12317	0.6
532.24902	0.6
533.13025	2.8
533.23669	8.0
534.25110	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71099	0.4
59.01387	100.0
60.01712	0.7
61.98832	1.1
69.75325	1.5
71.01405	0.9
73.14719	0.5
85.02948	0.7
98.20584	0.8
108.83248	0.4
119.05044	2.4
123.42339	0.5
145.02982	1.6
161.04613	0.5
163.04059	1.6
164.04462	0.4
195.04504	0.8
196.05351	0.6
211.04013	0.9
223.04059	1.3
224.04805	1.3
227.03519	1.5
239.03510	0.6
241.05040	0.6
251.03523	1.2
252.04057	0.6
255.02982	1.4
281.04614	0.7
282.05368	3.4
283.06113	5.5
284.03302	0.5
311.05640	75.4
312.05905	3.2
328.66000	0.5
411.17700	0.5
492.42667	0.5
533.23621	0.7
533.30939	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3694
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
59.01386	100.0
60.01709	0.2
62.94852	0.3
69.19080	1.1
69.19511	1.3
74.35783	0.2
85.36263	0.3
96.96024	0.3
99.51984	0.2
123.67907	0.2
142.68526	0.2
169.31282	0.2
204.52979	0.2
332.94009	0.2
471.35150	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64409	0.8
52.10622	0.8
59.01388	100.0
78.95911	1.3
82.33125	1.0
96.96034	1.4
98.19925	2.3
102.43922	1.0
121.02914	2.2
124.25227	1.0
128.35434	0.8
147.04556	2.1
203.61171	0.8
214.67253	0.9
214.83920	0.9
291.29929	1.4
300.99905	1.5
405.83133	1.0
424.54947	1.2
428.16238	0.9
471.34842	35.7
472.35117	2.7
473.35382	7.0
506.10236	0.9
531.30536	72.1
532.31000	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	532.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85626	0.4
58.85184	0.4
59.01385	6.0
61.98846	2.0
63.95274	0.4
65.42048	0.3
69.34139	3.0
70.37092	0.4
78.95919	0.4
96.96033	0.4
108.02190	7.9
128.71674	0.3
131.39282	0.3
136.05377	0.3
138.01987	100.0
139.02332	1.4
162.83948	0.6
219.78766	0.3
300.99872	0.7
445.67114	0.4
472.80490	0.4
532.19763	0.9
532.29510	0.5
533.31409	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3696
Annotation	Alisol E 23-acetate
Peak:m/z	Relative Intensity
51.91100	0.3
55.42633	0.4
59.01386	100.0
60.01724	0.5
60.56358	0.3
60.69556	0.3
69.36037	2.9
74.13998	0.3
78.95903	0.3
83.55809	0.3
91.65779	0.3
95.36488	0.3
130.63199	0.3
145.02991	0.4
255.23418	0.8
256.23581	0.7
471.34930	4.7
481.31693	0.5
555.45990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38113	0.4
50.59280	0.5
59.01381	6.3
61.98833	0.5
62.82345	0.4
69.26855	1.2
69.27262	3.8
71.05030	2.3
83.23998	0.6
89.73848	0.5
91.23449	0.5
96.96050	0.5
182.90483	0.6
242.45927	0.5
406.81512	0.5
409.34729	0.9
411.32687	0.9
413.34311	4.7
414.34296	0.5
471.34909	1.2
473.36386	54.3
474.36578	4.9
516.10767	0.7
531.32257	100.0
532.32611	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	531.3331
Annotation	Quadrangularic acid G
Peak:m/z	Relative Intensity
53.95255	0.3
59.01105	0.5
59.01383	6.8
69.79997	1.4
77.27103	0.3
96.96001	0.3
109.31082	0.3
129.62836	0.3
133.35175	0.3
196.80101	0.3
243.79572	0.3
301.00027	0.5
377.28467	0.6
393.28217	0.3
471.30978	0.4
473.32703	1.0
483.31400	1.5
501.32791	0.4
531.33356	100.0
532.33734	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	531.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60686	4.9
59.01385	100.0
59.40467	4.2
61.16324	4.6
61.98830	10.0
64.23447	4.0
71.56348	7.5
73.02960	5.3
75.48618	4.3
78.95919	8.8
93.42950	4.3
93.47693	4.0
96.96021	7.9
152.46954	4.5
197.80988	4.4
300.99866	9.2
314.89542	5.1
343.01205	5.7
363.51324	4.8
393.27512	4.7
414.82346	5.0
425.30380	5.5
471.31039	15.4
531.33197	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	531.2812
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27620	1.8
59.01385	33.0
61.98825	5.1
70.46336	1.7
71.01392	6.2
78.60205	1.6
78.91898	100.0
78.95904	5.0
83.05052	2.0
89.02421	2.8
96.95998	2.8
96.96975	2.4
98.19787	3.9
101.02473	3.9
111.08157	8.0
113.02460	2.7
117.08321	1.8
131.03607	2.3
145.02931	2.2
169.01488	2.5
197.11852	23.3
211.13518	3.1
229.47392	2.1
291.19748	3.2
309.20731	50.8
450.81100	2.0
469.29993	3.1
487.30716	2.0
531.29565	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	531.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	17.8
61.98842	9.2
66.55441	3.5
71.01400	18.5
71.02826	8.4
73.02947	11.6
84.78839	3.3
85.02971	8.0
89.02474	7.1
101.02461	17.2
106.00275	4.2
110.87807	3.9
113.02441	10.3
117.03480	19.0
119.05036	84.0
121.26663	3.7
125.02470	5.4
145.02966	67.9
159.57921	3.8
161.04602	5.8
161.09747	7.3
163.04028	83.4
163.18146	4.1
164.04379	3.8
179.10713	5.3
184.20297	3.7
204.60493	3.4
209.49788	3.9
229.99184	4.3
272.11282	3.6
303.52084	4.1
363.23929	12.1
441.57907	4.0
495.28149	100.0
496.28500	8.5
531.25146	56.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	78.9
61.98821	13.5
71.01375	6.2
71.57236	4.1
71.78337	2.9
76.79226	2.5
77.37680	2.6
78.91890	8.0
89.02453	4.9
96.96016	9.6
101.02438	4.9
109.02967	3.0
111.08175	9.9
111.88122	3.3
113.02457	5.8
138.06134	3.0
169.12299	3.6
197.11873	38.7
211.13437	3.0
264.42633	3.0
291.19595	5.7
298.32306	3.2
309.07495	3.4
309.20743	100.0
310.21097	6.3
312.13776	3.9
327.15997	8.4
333.20554	4.0
466.38892	3.0
468.17346	3.5
471.31479	4.6
531.29297	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	531.2452
Annotation	Zizyvoside I
Peak:m/z	Relative Intensity
57.03463	4.0
58.32273	1.0
59.01385	46.7
61.98848	2.0
67.97789	1.2
69.03432	0.9
69.54203	2.5
69.54610	4.4
71.01392	10.1
73.02956	100.0
82.95438	3.0
85.02961	76.6
87.04546	2.3
89.02469	3.6
95.01412	1.7
96.96024	20.3
99.00911	1.2
101.02504	4.6
103.04022	93.4
104.04368	1.3
107.01425	2.2
107.93747	1.2
111.00942	1.3
113.02475	6.1
114.17775	1.0
119.05095	1.1
123.00925	6.2
125.02462	11.8
137.02441	1.4
138.06851	2.6
139.00429	1.7
140.01202	2.1
151.00380	5.6
151.07721	1.9
152.08492	6.5
153.09233	14.4
161.04614	3.3
168.00726	1.7
169.01401	14.8
169.02574	1.0
179.03600	2.7
205.12311	8.6
211.02544	1.5
217.10809	1.7
223.13582	4.2
301.00055	1.8
367.17657	31.8
368.18097	1.6
379.20081	2.6
385.18790	3.6
392.41687	1.1
423.26154	1.2
441.21344	21.7
441.26718	1.7
442.21738	1.4
453.21280	10.2
473.49551	1.2
531.24847	38.9
532.25330	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	531.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69218	0.5
55.01874	0.7
57.03431	0.7
58.00602	0.8
59.01383	10.6
61.98840	2.4
69.15630	0.5
71.01397	12.0
71.05165	0.8
71.05506	1.0
73.02953	3.5
79.16283	0.6
83.01404	1.4
83.05006	0.7
85.02957	5.8
87.00908	1.0
89.02469	4.5
95.01421	1.9
96.96054	0.8
99.00896	2.2
101.02460	9.4
105.03493	1.1
109.02980	1.1
113.02471	5.4
117.03489	7.8
119.03562	1.1
119.05033	9.6
121.02987	1.3
121.06631	0.8
125.02498	1.6
125.24028	0.5
132.02199	2.5
132.05981	0.6
133.02972	41.0
133.06598	2.1
134.03783	3.7
135.04543	51.0
136.04880	1.4
137.02477	2.2
137.09727	3.3
143.03563	1.2
145.02974	20.5
148.05266	1.5
149.06100	9.4
159.03020	0.8
161.02463	100.0
161.04616	4.9
161.05940	5.6
162.02873	2.8
163.04047	10.9
163.11305	0.7
163.42853	0.5
169.01453	1.3
175.04021	1.0
177.05602	21.6
178.02740	0.7
179.03517	66.6
180.03870	2.0
200.25760	0.6
203.03539	2.3
205.05066	6.8
205.12389	1.0
221.04581	34.7
222.05034	1.8
223.13425	1.5
233.04605	1.5
235.06139	8.3
251.05630	43.6
252.05988	1.2
265.07193	14.4
266.07486	0.7
281.06693	77.9
282.06946	3.9
307.08383	2.2
311.07602	0.7
322.57297	0.6
323.07852	2.0
325.09348	2.6
341.08789	28.9
342.09094	1.3
367.10568	2.0
369.19193	2.8
438.40854	0.5
495.28238	2.1
513.21393	1.5
515.21899	0.6
531.23566	12.3
532.24060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69218	0.5
55.01874	0.7
57.03431	0.7
58.00602	0.8
59.01383	10.6
61.98840	2.4
69.15630	0.5
71.01397	12.0
71.05165	0.8
71.05506	1.0
73.02953	3.5
79.16283	0.6
83.01404	1.4
83.05006	0.7
85.02957	5.8
87.00908	1.0
89.02469	4.5
95.01421	1.9
96.96054	0.8
99.00896	2.2
101.02460	9.4
105.03493	1.1
109.02980	1.1
113.02471	5.4
117.03489	7.8
119.03562	1.1
119.05033	9.6
121.02987	1.3
121.06631	0.8
125.02498	1.6
125.24028	0.5
132.02199	2.5
132.05981	0.6
133.02972	41.0
133.06598	2.1
134.03783	3.7
135.04543	51.0
136.04880	1.4
137.02477	2.2
137.09727	3.3
143.03563	1.2
145.02974	20.5
148.05266	1.5
149.06100	9.4
159.03020	0.8
161.02463	100.0
161.04616	4.9
161.05940	5.6
162.02873	2.8
163.04047	10.9
163.11305	0.7
163.42853	0.5
169.01453	1.3
175.04021	1.0
177.05602	21.6
178.02740	0.7
179.03517	66.6
180.03870	2.0
200.25760	0.6
203.03539	2.3
205.05066	6.8
205.12389	1.0
221.04581	34.7
222.05034	1.8
223.13425	1.5
233.04605	1.5
235.06139	8.3
251.05630	43.6
252.05988	1.2
265.07193	14.4
266.07486	0.7
281.06693	77.9
282.06946	3.9
307.08383	2.2
311.07602	0.7
322.57297	0.6
323.07852	2.0
325.09348	2.6
341.08789	28.9
342.09094	1.3
367.10568	2.0
369.19193	2.8
438.40854	0.5
495.28238	2.1
513.21393	1.5
515.21899	0.6
531.23566	12.3
532.24060	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81927	0.3
56.89171	0.4
61.98836	0.9
62.56840	0.4
69.30935	1.7
69.31360	1.5
71.01387	1.4
72.97638	0.3
73.98564	0.4
78.95921	0.7
85.02965	0.6
89.02457	0.9
93.03403	0.6
96.96004	0.8
96.96960	0.7
101.02430	0.9
113.02484	0.5
115.13319	0.4
117.03476	27.7
118.03820	0.7
119.05038	14.5
121.02986	1.0
132.05911	0.4
133.06602	1.4
136.05296	0.5
138.06784	0.5
145.02965	100.0
146.03314	2.5
152.08469	0.7
153.09239	1.3
161.02481	0.4
161.06061	2.6
162.03178	0.5
163.04024	23.8
164.04352	0.6
177.05580	1.0
205.05017	2.7
205.12320	2.2
232.91545	0.4
235.06149	0.7
265.07074	1.7
307.08249	1.3
358.86993	0.3
495.28436	0.7
531.22382	60.3
532.22729	6.2
532.30646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51212	0.2
50.59093	0.2
55.01849	0.2
57.67442	0.2
58.00590	0.2
69.26245	1.3
69.26656	0.4
71.01389	2.0
71.38484	0.1
72.99306	0.2
73.02954	0.3
83.01369	0.3
85.02963	0.6
89.02447	0.9
89.03986	0.2
93.03460	0.3
99.00916	0.2
101.02454	1.0
113.02457	0.9
117.03483	31.2
118.03809	0.7
119.05041	17.1
120.05402	0.5
121.02979	1.0
123.00873	0.2
125.02523	0.2
132.05827	0.4
133.02943	0.3
133.06602	1.0
135.04500	0.2
136.05318	0.4
138.06862	0.6
139.07718	0.2
145.02971	100.0
146.03302	2.8
147.04474	0.2
151.07671	0.7
152.08464	1.0
153.09239	2.0
161.06094	2.5
161.09648	0.4
162.03262	0.5
163.04028	24.3
163.11327	0.6
164.04362	0.5
169.01460	0.4
177.05605	0.8
205.05089	2.4
205.12378	2.4
206.05345	0.2
223.13313	0.3
235.06165	0.5
247.06097	0.3
253.05141	1.1
265.07141	1.1
276.20700	0.2
307.08218	1.2
491.66840	0.2
531.22437	56.6
532.22797	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	531.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04823	0.8
54.77049	0.7
55.01892	0.7
59.01384	11.1
61.98838	4.7
63.30705	0.7
68.99576	5.0
69.45924	5.4
71.01392	6.2
72.99316	0.9
73.02953	1.2
82.56995	0.7
83.01378	1.2
83.05023	1.0
85.02955	1.5
87.00860	1.1
88.98822	1.0
89.02461	3.4
93.03452	2.2
96.96020	8.2
98.20593	1.4
101.02416	4.3
110.83866	0.8
111.04504	1.1
112.98584	2.3
113.01582	0.6
113.02441	3.1
117.02647	1.6
117.03478	30.2
119.05035	31.9
120.05348	1.1
121.02943	2.5
123.00891	3.1
124.01661	2.3
125.02477	5.9
132.05817	2.0
133.02997	1.7
133.06599	5.9
135.04530	1.0
136.98833	0.7
139.00348	1.0
140.01175	0.8
141.01981	0.9
145.02965	100.0
146.03304	2.6
147.04552	0.9
151.00365	3.9
153.09152	1.0
155.03532	1.0
161.04684	1.0
161.06084	16.9
163.04024	41.1
164.04346	1.4
168.00558	0.9
169.01453	6.1
175.03986	1.5
177.05566	5.8
179.03516	0.9
187.04007	2.5
197.04526	1.4
205.05066	22.0
206.05373	0.9
217.05070	0.9
225.12939	1.2
231.06651	2.4
235.06129	26.4
251.11372	1.1
265.07181	52.5
266.07495	1.8
273.21216	0.8
275.05576	1.6
285.04068	23.5
286.04382	1.6
296.43329	0.7
301.00150	1.7
301.03510	0.7
325.09311	8.8
344.45432	0.8
392.72647	0.7
403.13779	0.6
417.08337	9.5
418.08502	0.9
531.23303	38.5
532.23529	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	531.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65940	0.3
59.01388	4.5
61.98840	9.9
71.01379	2.6
71.57750	0.4
71.58158	0.5
73.02971	1.1
79.91894	0.3
83.01392	0.7
85.02956	1.4
89.02460	1.5
93.03449	0.9
101.02446	1.9
113.02457	0.8
117.03484	8.2
119.05042	100.0
120.05353	2.8
125.02500	0.4
133.02946	0.8
133.06642	0.9
135.04541	1.3
137.02469	0.8
142.35493	0.4
145.02977	26.4
146.03352	0.5
151.00345	0.5
161.06116	1.3
161.09735	0.8
163.04028	88.6
164.04393	1.8
166.99799	0.4
169.01428	0.4
177.01874	0.5
177.05573	0.5
179.03529	1.5
179.10825	0.7
205.05083	2.6
205.12294	1.0
235.06204	1.2
256.03433	0.4
265.07205	2.1
284.03284	6.2
285.04059	7.8
307.08279	0.7
309.20853	0.4
325.09338	0.8
331.19037	0.4
399.24164	0.7
487.19891	0.7
495.27975	2.3
496.28308	0.5
531.15002	5.5
531.22479	12.4
531.28491	1.5
532.22815	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.3
60.99536	0.3
61.98835	3.9
69.24169	2.9
71.01388	1.7
73.02963	0.6
82.95437	0.4
83.01417	0.3
85.02976	0.8
89.02474	0.7
91.05549	0.5
93.03471	1.2
96.95990	0.4
99.00892	0.3
99.04514	0.4
101.02448	1.2
111.00929	0.3
113.02463	0.8
117.03477	2.6
119.05039	100.0
120.05384	2.4
123.04527	0.3
125.02472	0.7
135.11815	0.6
137.02487	0.5
139.00351	0.3
139.04018	0.5
145.02972	8.6
147.04570	0.8
159.04578	0.3
161.02419	0.5
161.04654	0.7
161.06064	0.6
161.09683	0.4
163.04024	83.4
164.04350	2.3
166.99878	0.4
169.01462	1.3
179.10793	3.6
205.05103	0.9
213.01826	0.3
223.09756	0.9
235.06168	0.3
265.07364	0.5
274.17300	0.3
367.13962	1.6
369.10126	0.4
487.19470	0.7
490.91769	0.3
531.22235	3.6
531.29004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.7
58.00583	0.6
59.01118	1.1
59.01388	18.3
63.50221	0.5
67.01910	0.8
71.01392	11.1
72.01643	0.5
72.99287	1.2
73.02944	1.0
74.29929	0.6
74.97244	0.6
81.03463	0.9
83.01375	1.0
83.05038	2.2
85.02950	2.4
86.34644	0.6
87.00858	0.7
89.02458	10.8
95.01408	1.4
96.96008	2.4
97.02961	0.5
98.19835	1.2
101.02460	6.9
103.07443	0.6
107.01392	1.8
108.88052	0.6
110.57980	0.5
111.00896	1.4
113.02461	3.8
119.03504	4.0
123.00909	3.9
125.02474	12.9
135.08183	0.6
136.98814	1.2
137.09734	5.8
139.00362	2.1
140.01158	1.2
141.01996	0.7
149.02696	0.6
151.00375	2.0
153.01929	1.2
155.10805	20.1
156.11069	0.8
167.03670	0.7
168.00652	3.2
169.01462	16.9
180.89091	0.6
181.08717	3.0
195.07956	0.8
199.09787	28.4
200.10210	0.7
211.02505	15.8
212.02774	0.8
217.10786	3.2
229.77597	1.1
271.01831	1.2
271.04611	19.8
271.07550	1.0
272.04813	1.1
331.06650	1.8
347.69473	0.7
379.16138	16.1
380.16321	0.9
469.93094	0.7
513.16199	2.4
531.17169	100.0
532.17450	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	530.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	3.5
61.98833	1.0
69.58775	3.8
78.95912	17.0
152.99609	2.6
167.55246	0.5
168.04356	3.0
171.38684	0.5
224.06923	8.0
242.07986	1.8
255.23312	100.0
256.23645	4.7
431.00214	0.6
450.89249	0.5
472.35284	1.2
480.30988	61.7
481.31305	5.3
530.35681	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	531.1509
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
57.03457	0.4
59.01389	2.7
61.98840	2.3
63.02381	0.2
65.00330	0.7
71.01397	1.6
71.57557	0.3
73.02963	0.4
75.00869	0.3
78.74020	0.2
78.95898	0.3
83.01400	0.9
85.02945	0.4
89.02460	1.0
96.96004	0.3
99.00891	0.2
99.98623	0.2
101.02457	1.3
105.03483	0.4
107.01405	1.8
113.02455	0.6
117.03495	2.7
119.03600	0.2
119.05037	1.4
121.02980	0.5
123.00859	0.2
125.02477	0.6
132.02245	0.3
133.02962	7.9
133.06621	0.3
134.03241	0.3
145.02972	10.0
146.03288	0.2
149.02466	1.5
149.04582	0.3
149.78992	0.2
151.00385	4.6
161.04628	0.2
161.06053	0.4
163.04015	2.2
169.01442	0.6
171.04538	0.4
175.04012	2.8
185.06004	0.3
189.05595	0.3
197.06044	0.2
198.03194	0.3
199.03993	2.1
201.01930	0.9
205.05057	1.0
213.05507	0.5
215.03532	0.3
217.05048	1.7
235.06105	0.3
241.05115	1.0
243.03075	0.4
256.03723	0.4
257.04532	0.4
265.07248	1.0
284.03351	0.4
285.04068	100.0
286.04419	4.1
300.99942	0.3
326.07843	0.2
333.20862	0.2
399.24100	0.4
471.31897	0.2
514.37506	0.2
531.14362	0.6
531.22357	4.1
531.29181	1.8
532.22003	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01735	0.5
65.59440	0.3
70.97741	0.4
70.98083	0.7
71.92381	0.4
73.51019	0.4
83.28147	0.5
243.86411	0.4
391.29810	1.0
405.31494	0.9
407.33054	1.4
426.71771	0.5
451.32086	2.1
453.33676	8.5
454.33582	0.7
469.32864	0.8
471.34692	3.4
528.67493	0.4
529.30243	24.8
530.30652	1.9
547.80585	0.4
559.97864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35968	0.4
57.03440	0.6
59.01387	6.4
61.98838	46.9
71.01385	3.5
71.57550	0.5
73.02957	1.1
75.10822	0.4
78.95947	0.4
83.01411	0.4
85.02939	1.2
89.02460	1.4
89.03992	0.4
93.03461	1.0
96.96015	3.3
96.96972	0.6
99.00909	0.5
99.04464	0.5
101.02459	2.0
113.02461	1.2
117.03481	28.2
119.05038	18.1
121.02990	0.8
121.06625	0.4
123.00871	0.6
123.04594	0.7
125.02483	1.0
126.10062	0.4
127.04023	0.5
132.02319	0.4
133.02971	11.3
133.06628	1.4
135.04544	4.0
136.05298	0.6
137.02457	0.8
138.01964	0.6
138.06799	0.5
145.02968	100.0
151.00398	0.6
151.07632	0.5
152.08440	1.0
153.09229	1.5
161.02457	39.7
161.06036	2.8
162.02855	1.1
163.04030	22.9
163.79138	0.3
164.07216	1.2
169.01448	0.9
177.05618	1.3
179.03487	3.0
205.05096	3.6
205.12404	2.0
213.15147	0.4
221.04535	0.5
225.54744	0.4
235.06145	2.0
241.05154	0.5
251.05618	0.7
265.07239	3.5
281.06653	1.0
307.08276	1.0
325.09348	0.4
389.82175	0.4
467.19260	35.8
468.19470	2.7
474.71234	0.4
531.22443	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	529.354
Annotation	Rubianol b
Peak:m/z	Relative Intensity
57.22274	0.6
59.01386	100.0
65.23824	0.6
98.19864	1.8
98.51511	0.7
101.75832	0.5
130.58560	0.6
213.35101	0.6
232.72321	0.6
285.03979	0.9
355.07025	0.7
469.33588	1.0
529.28613	0.9
529.35730	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3541
Annotation	Rubianol b
Peak:m/z	Relative Intensity
59.01388	83.6
61.98841	0.5
62.69709	0.4
66.17564	0.4
67.24889	0.5
69.88597	1.9
75.00884	0.9
80.91698	3.5
92.98508	0.4
108.39246	0.4
124.96812	3.9
131.24454	0.5
132.99556	0.5
165.99481	1.9
196.23038	0.5
285.04245	0.8
373.13797	0.4
409.31424	1.0
439.32388	0.6
453.33942	0.6
469.33362	2.7
471.34772	6.3
472.35446	1.0
529.35663	100.0
530.36096	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	529.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01419	0.7
69.27914	1.6
69.28335	2.0
75.02242	0.4
87.06506	0.4
96.64914	0.4
96.96124	0.4
237.48579	0.5
471.34827	57.6
472.35019	5.1
529.30664	100.0
530.30939	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	529.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98773	0.6
51.02788	0.6
59.01384	100.0
70.31492	2.1
74.29324	0.6
125.49043	0.6
125.97417	0.7
132.41861	0.7
142.57237	0.7
167.62660	0.6
174.84364	0.6
223.79419	0.6
273.09320	0.7
471.34845	18.4
472.35382	1.7
529.30640	34.8
530.31061	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	529.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85055	1.1
54.61506	1.0
56.42751	1.1
58.70820	1.2
58.92636	1.5
59.01389	16.1
65.87950	0.9
75.00876	2.1
93.21262	0.9
96.96055	1.2
97.06595	4.6
98.19868	2.5
117.85780	1.0
123.65265	1.1
201.16527	1.0
223.43639	1.1
229.67014	1.1
233.22234	1.2
285.03998	1.6
373.25192	1.2
389.28589	1.7
391.30045	6.2
405.31644	5.0
407.33240	10.0
409.31174	2.2
439.32510	1.4
441.33487	3.5
451.32281	15.3
453.33743	58.2
454.33981	5.9
471.34903	8.8
472.34476	1.2
529.30133	100.0
529.35724	96.9
530.30420	8.5
530.36084	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.307
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30987	0.4
59.01383	19.7
63.06697	0.4
77.05708	0.4
97.06584	2.3
148.03439	0.4
159.63600	0.4
165.84218	0.4
229.47797	0.6
367.04794	0.5
389.28336	0.9
391.30060	3.4
405.31812	3.1
407.33261	6.5
408.33484	0.6
423.28839	0.6
425.33994	0.7
439.32172	0.6
441.33704	1.1
451.32245	7.7
452.32547	0.6
453.33801	32.0
454.34000	2.4
469.33148	0.6
471.34845	12.1
472.34869	0.8
511.34454	0.6
529.30554	100.0
530.30914	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	529.0838
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88136	1.3
59.10664	1.5
60.09800	1.5
60.99319	14.5
69.99086	6.4
71.01378	4.1
74.46236	1.4
88.98817	100.0
96.96024	8.4
98.20619	1.7
107.01386	5.0
120.58212	1.5
125.02455	28.0
151.00369	3.3
169.01442	54.7
170.01691	1.6
191.66411	1.4
241.03522	2.9
260.87280	1.4
313.05667	12.7
439.08807	85.0
440.09283	5.4
503.50217	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	529.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07560	0.3
58.88652	0.2
59.01375	1.8
69.42027	1.8
78.86230	0.3
96.96050	0.6
109.30236	0.3
111.08170	0.3
111.30942	0.3
138.37033	0.2
148.55386	0.3
162.41095	0.3
279.23505	0.3
393.31580	0.8
423.32806	2.9
425.33560	0.4
451.31970	0.3
469.33426	1.5
471.34802	59.1
472.35138	5.0
478.46149	0.3
529.30615	100.0
530.31006	8.3
546.65179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.1
62.26046	3.2
66.33302	2.5
71.01380	2.8
71.19144	4.3
71.19480	3.9
85.02966	2.6
92.72983	2.3
96.96024	5.6
99.57188	2.5
101.02457	2.4
105.03535	3.0
117.03497	9.7
119.05035	5.3
133.03000	8.1
135.04576	3.4
137.02477	3.0
145.02934	14.3
147.04559	6.0
157.02989	5.5
159.04570	3.8
160.01677	4.0
161.02490	20.4
163.00383	8.8
163.04030	8.8
164.98224	3.4
169.01471	3.3
171.00882	6.2
171.04517	2.6
172.01611	4.1
173.02466	20.1
174.03152	3.0
175.04004	9.4
177.01917	5.5
178.99948	2.9
185.02496	5.4
187.00465	7.1
187.04007	5.1
188.01160	4.6
189.01939	22.6
190.02672	3.4
190.99884	5.0
191.03496	14.3
199.00319	3.2
199.04176	3.1
199.86018	2.5
200.01158	4.2
201.01964	24.8
203.03482	18.6
203.80458	2.7
205.01485	5.0
205.05145	4.8
214.99901	8.8
215.03481	5.7
216.00606	5.0
217.01428	33.4
219.03073	5.4
226.99898	5.9
227.03560	3.1
229.01364	13.6
230.02122	4.1
231.03069	7.2
235.02446	3.4
242.99425	15.2
243.02971	9.2
244.00012	4.1
245.00916	44.0
246.01620	4.0
247.02521	38.1
254.99615	2.8
257.00870	4.6
259.02554	7.8
259.99704	5.9
261.00363	14.9
263.02005	6.4
267.95001	2.8
270.98886	62.3
271.02451	7.5
271.99496	9.0
273.00446	61.3
285.00522	3.0
287.01898	7.4
289.00031	6.0
289.03171	3.2
291.01532	11.3
298.98373	100.0
299.01807	5.1
299.99054	16.6
301.00006	20.9
315.01544	9.5
316.99399	13.3
331.00986	10.5
333.02582	3.8
359.00485	5.0
400.11899	3.3
417.04477	3.2
419.02707	6.3
435.05719	17.3
451.05261	22.9
452.05423	3.4
461.03699	24.4
479.04736	61.9
492.60120	3.1
511.07309	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	528.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.8
61.98839	100.0
63.16238	0.3
70.61087	0.9
71.01428	0.3
73.44084	0.3
75.00864	0.4
95.93436	0.3
98.19948	0.4
101.02416	0.4
183.38965	0.3
205.98228	0.4
252.14795	0.3
320.22018	0.4
468.28033	0.5
510.20111	0.3
529.37506	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0651
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62010	0.4
59.01385	4.3
61.98839	10.6
69.95834	2.1
71.01402	2.4
73.02961	1.2
74.86988	0.4
78.95914	20.5
79.95760	3.2
80.91689	0.8
85.02974	1.4
86.28957	0.4
89.02459	1.2
93.03463	0.5
95.01441	0.6
96.96024	100.0
96.96953	27.6
98.19945	0.6
99.00901	0.5
101.02455	1.6
107.01391	0.6
111.00884	1.0
112.83938	0.4
113.02456	1.5
123.00899	3.5
123.04501	0.4
125.02460	6.4
137.02457	0.8
139.00409	0.9
149.02361	0.5
151.00409	2.3
152.03564	1.1
158.73593	0.5
161.04630	0.5
168.00616	1.1
169.01437	8.7
170.01855	0.5
179.10815	0.6
179.31813	0.4
199.09872	0.4
211.02533	1.1
268.03702	2.4
269.02087	0.7
269.04544	3.2
271.04712	0.8
285.04065	2.4
300.99963	1.9
313.05649	1.6
316.02274	1.2
331.04056	2.0
331.92426	0.5
377.18359	0.5
431.09888	2.6
466.10190	2.7
468.25552	2.0
469.25204	0.6
511.22098	0.5
529.23383	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	528.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37330	0.2
53.99090	0.3
55.43615	0.2
59.01382	0.6
61.98840	0.6
69.23270	0.2
70.81932	0.3
71.01373	0.6
73.90489	0.2
96.96024	0.8
101.02455	0.3
101.06459	0.3
105.97947	0.2
109.02962	0.3
116.05074	2.3
117.03434	0.3
122.06127	0.7
125.02447	1.2
133.02045	0.5
133.02975	5.7
134.03766	0.3
135.04535	4.1
138.05635	1.0
141.00958	0.3
144.04500	0.3
146.06091	2.0
149.06148	0.3
159.03323	0.6
160.04053	100.0
161.02455	16.8
161.04385	2.3
168.19470	0.3
169.01433	1.3
177.05551	0.7
179.03526	3.0
203.03458	0.3
203.06001	0.3
204.03000	2.7
204.06645	0.5
205.07492	1.1
215.09264	0.3
221.04611	1.2
237.06389	1.0
239.30040	0.3
263.05484	0.3
267.11725	0.3
267.60263	0.3
272.51852	0.3
313.11835	0.5
315.13617	0.7
322.09537	2.3
322.79898	0.3
323.07730	13.5
324.08179	0.7
327.13501	2.1
340.01663	0.3
343.12900	0.6
345.14532	1.2
366.08313	23.4
367.08725	1.4
434.17395	0.4
452.18411	0.4
484.12570	4.0
484.19589	0.5
496.17374	0.9
528.11578	7.5
528.19373	1.3
529.11597	0.5
529.19464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33290	0.4
57.00767	0.4
57.03475	0.5
59.01382	2.3
71.01415	1.0
71.57662	0.7
75.00903	1.4
76.30946	0.4
76.63157	0.4
83.12524	0.4
85.02988	1.8
87.00896	0.5
99.00925	0.8
113.02469	2.1
225.24916	0.4
249.06236	1.4
277.21713	5.6
278.22107	0.5
289.21722	0.9
301.00040	0.5
387.35046	0.5
393.27982	1.6
407.29541	3.0
409.31351	2.6
423.32718	60.5
424.33017	5.1
425.34286	2.5
469.33258	35.4
470.33408	2.7
527.29059	100.0
528.29462	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	527.291
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	4.3
71.05008	1.0
71.56367	0.7
71.56829	1.0
81.47165	0.8
114.25072	1.1
222.56830	0.9
405.31680	1.4
409.83652	1.0
469.33209	63.3
470.33667	5.1
527.29041	100.0
528.29498	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.9
59.01389	100.0
60.62791	0.7
61.98843	3.4
71.01393	8.2
71.13751	1.7
73.02964	2.6
76.87321	0.7
78.95924	2.1
85.02972	2.9
89.02467	1.6
99.00922	1.6
101.02463	6.2
113.02487	3.2
113.06106	28.5
113.06910	1.4
125.02504	0.9
131.19876	0.6
156.96237	0.7
159.03033	1.1
161.04625	3.4
165.09697	0.8
176.62988	0.7
298.46793	0.7
313.53284	0.7
332.84521	0.8
371.20755	20.5
372.21347	1.0
467.26605	1.0
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
50.33885	0.7
56.96618	0.7
59.01384	10.7
61.98838	5.2
63.02571	0.7
65.44111	0.7
65.84762	0.6
69.03450	2.7
69.53451	2.6
69.53858	2.1
69.99706	0.7
71.01390	8.5
73.02953	3.7
76.80676	0.6
78.95914	0.7
78.98605	1.2
79.95731	1.4
80.96530	20.5
81.03484	1.2
83.01415	1.5
83.05036	1.5
85.02950	5.3
87.00861	1.7
89.02475	4.1
92.40278	0.7
93.03439	0.9
93.55138	0.7
94.98114	5.2
95.01381	1.0
95.05039	23.0
96.96011	3.4
96.96989	0.9
97.02978	1.1
97.06602	70.5
98.06950	0.9
99.00930	1.1
101.02437	5.1
104.36459	0.6
106.98128	1.0
107.01398	1.6
111.00890	1.3
113.02477	3.3
115.07661	8.9
119.03529	0.9
122.97572	1.9
123.00914	3.7
125.02458	7.4
134.97617	1.6
135.04503	1.3
136.05386	0.7
136.99142	0.7
138.06876	1.9
138.33298	0.7
139.00339	0.9
139.07660	1.5
141.05585	2.2
148.99178	1.6
149.06142	0.7
151.00327	2.3
151.07672	1.4
152.08382	1.8
152.98615	2.6
153.09268	5.3
155.07095	0.8
159.06647	54.9
160.04091	0.8
160.06897	0.9
161.04539	1.8
163.11253	1.0
164.23233	0.7
164.98613	4.5
169.01428	7.4
173.08275	0.7
175.27277	0.7
179.10777	1.0
182.99631	0.7
183.06630	6.8
183.13881	1.4
201.07742	1.0
205.12317	5.0
206.99649	1.0
209.43240	0.7
211.02513	1.4
214.13916	0.6
223.13408	1.3
225.00795	7.1
261.09683	1.8
271.04630	2.0
300.99875	1.4
311.99084	2.8
313.05881	0.7
321.11990	0.9
327.01566	4.7
331.06851	0.9
407.40906	0.7
491.31772	0.7
527.18011	35.4
527.24878	100.0
528.18488	2.4
528.25250	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	527.214
Annotation	Dutasteride
Peak:m/z	Relative Intensity
55.01875	0.5
58.00586	0.7
59.01159	0.4
59.01387	4.7
61.98824	1.2
65.44007	0.4
67.01888	1.4
68.99828	0.5
69.03455	1.1
69.60082	2.7
71.01398	4.6
72.99314	0.8
73.02969	2.8
79.01894	2.2
83.01427	0.8
85.02948	1.2
85.54429	0.4
89.02436	0.6
95.01392	3.3
97.02951	1.3
101.02452	0.7
103.69939	0.4
107.01410	8.6
110.53706	0.4
111.00894	1.2
113.02467	2.1
113.03204	0.4
123.00903	24.2
124.01716	0.8
125.02467	26.9
126.02807	0.5
127.00362	0.6
136.98782	0.6
137.02437	1.1
139.00383	7.0
139.07684	0.5
140.01132	1.6
141.01944	3.6
151.00397	14.9
152.00761	0.5
153.01918	1.3
165.01964	0.7
167.03491	0.9
167.14383	0.6
168.00687	3.4
169.01445	48.1
170.01749	1.0
179.03430	0.5
179.14494	0.6
181.01477	0.6
183.02995	1.1
183.13873	1.5
191.14328	0.9
193.01430	0.8
195.13882	2.3
197.15424	1.4
207.13911	0.9
209.15453	1.5
211.02504	6.4
212.02972	0.5
213.15002	6.7
227.16556	2.9
237.14954	1.7
253.03529	1.5
255.16003	1.3
313.05710	2.5
329.13800	1.1
467.19330	0.8
527.21320	100.0
528.21771	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	527.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45404	0.4
59.01382	4.7
61.98835	7.7
61.99126	0.8
67.01919	0.5
69.03481	1.7
71.01400	3.2
74.36004	0.5
77.33022	0.6
79.01894	0.9
81.03481	1.0
83.01421	0.6
85.02981	0.8
89.02458	1.6
93.03447	0.8
95.01390	1.5
96.96014	1.0
97.02966	2.6
101.02463	2.2
104.96888	0.5
107.01428	1.3
109.02953	0.5
113.02475	1.3
117.03488	0.6
121.02937	0.7
123.00892	3.4
123.04539	0.9
124.01670	4.4
125.02458	80.9
126.02789	1.7
127.04052	1.0
137.02441	3.5
139.00375	1.8
140.01096	0.6
145.02969	1.5
151.00388	1.2
166.99794	0.8
168.00656	9.0
169.01437	100.0
170.01738	2.0
177.09053	0.6
179.03481	2.1
179.10870	0.5
211.02467	2.2
213.15041	1.3
231.51277	0.6
239.05591	1.5
271.04462	1.5
298.62653	0.6
299.07629	1.1
313.05719	1.8
327.21930	0.9
331.06680	1.7
364.94788	0.9
462.53342	0.7
527.21259	67.0
528.21771	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	0.9
58.17460	0.5
59.01392	5.4
59.74983	0.5
61.88958	0.4
61.96880	0.4
61.98832	2.4
63.96233	0.6
66.45119	0.5
69.03454	0.7
69.29254	1.3
69.29649	4.1
71.01398	8.1
72.99281	0.9
73.02937	2.3
78.55978	0.5
78.98592	4.5
79.01872	0.7
79.95744	8.4
80.96526	56.0
81.03452	0.8
83.01384	1.1
85.02947	4.0
87.00863	2.5
88.98776	0.9
89.02424	1.3
94.98100	12.6
95.01375	0.9
96.95983	1.6
97.02917	1.7
99.00856	1.2
101.02461	4.7
106.98060	2.3
107.01392	1.3
109.02938	0.6
111.00885	0.8
113.02432	2.0
122.97633	3.2
123.00913	3.8
124.01698	0.7
125.01640	0.8
125.02444	8.1
127.03999	1.1
134.97586	3.7
135.04477	0.6
136.98944	0.8
139.00316	1.6
140.01181	0.9
145.02966	0.8
147.04492	0.8
148.99152	5.1
151.00298	1.8
152.98662	5.8
161.04568	0.5
164.97351	0.9
164.98636	12.7
165.98779	0.6
168.00580	0.8
169.01434	7.1
179.03488	0.7
183.13927	4.9
197.07607	0.7
206.99660	2.7
211.02374	0.9
225.00766	19.2
259.74457	0.6
271.04468	0.9
285.03839	0.9
299.04279	2.1
300.99792	0.8
327.21649	0.7
483.18558	1.2
509.16803	1.1
527.17792	100.0
528.17902	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35814	0.4
57.03455	0.8
59.01391	4.3
61.98833	2.2
63.96233	0.8
66.88612	0.4
67.24831	0.4
69.03468	0.6
71.01014	0.5
71.01392	7.8
72.99327	0.7
73.02962	2.3
75.00866	0.6
75.48987	0.4
78.95919	0.6
78.98595	4.3
79.95747	8.1
80.96526	52.6
81.03449	1.2
83.01381	0.8
85.02962	3.2
87.00881	2.6
89.02435	1.2
94.98098	11.2
95.01419	1.1
95.05019	2.2
96.96017	5.8
96.96964	0.8
97.02947	1.6
97.06597	6.7
99.00872	0.5
101.02456	4.2
103.04000	0.6
106.98068	2.4
107.01357	0.8
110.08315	0.4
113.02472	0.9
115.07661	0.7
122.47238	0.4
122.97606	4.7
123.00893	2.3
125.02467	7.0
126.02747	0.5
127.03986	0.6
134.97586	4.0
135.04498	0.6
135.19362	0.4
136.99109	1.4
137.02455	0.7
139.00206	0.6
140.01024	0.5
145.02895	1.0
148.99130	4.7
150.03185	0.4
151.00374	1.2
152.98653	6.5
153.09232	0.6
159.06645	4.1
161.02467	0.4
161.04549	0.8
164.98639	10.4
165.12788	0.7
168.00616	0.4
169.01471	6.4
182.99731	2.5
183.13911	3.5
206.99727	3.3
211.02432	0.8
219.09026	0.5
225.00766	19.3
227.12891	0.9
229.38559	0.5
243.01743	1.7
260.01990	0.4
264.20987	0.5
271.04593	1.6
299.04449	2.3
301.00214	0.5
311.99045	1.0
313.05609	0.5
327.01413	1.0
327.21649	0.5
374.46802	0.4
483.18970	0.9
509.16574	0.6
527.17938	100.0
528.18323	8.7
528.25684	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.09941	0.7
58.00582	1.3
59.01387	34.0
61.98843	1.0
67.01888	1.8
71.01393	22.2
72.99309	1.9
73.02955	2.1
79.01914	1.1
83.01411	2.8
85.02981	7.2
87.00873	1.1
89.01923	1.9
89.02451	18.4
92.85699	1.0
95.01398	3.7
96.96035	1.3
97.02949	1.3
101.02462	19.1
107.01424	6.5
111.00877	3.0
113.02453	8.4
119.03526	7.1
119.05048	1.5
119.36288	1.0
121.22503	0.8
123.00909	20.8
124.01696	2.6
125.02463	30.3
127.00306	1.9
136.98843	1.5
139.00392	9.3
140.01137	5.6
141.01949	1.6
151.00406	11.5
151.11467	0.9
153.01988	1.3
163.03986	2.1
166.51909	0.8
167.92503	1.0
168.00667	8.9
169.01439	38.3
177.09276	1.4
179.05574	1.2
195.10458	0.8
211.02507	23.6
271.04623	34.7
272.04819	1.0
313.05569	1.6
331.06720	5.7
339.64847	1.1
357.15469	3.5
375.16629	33.5
376.16873	2.5
463.43344	0.9
483.18784	38.2
484.19226	2.6
509.16708	33.9
510.16870	2.3
527.17694	100.0
528.18005	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	527.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.1
57.03463	0.9
58.00596	1.0
59.01385	34.4
61.98833	1.1
67.01889	1.3
67.62476	0.7
68.99828	0.9
69.54244	2.8
69.54670	2.9
71.01390	19.5
72.99319	1.6
73.02958	2.6
74.99085	0.8
78.95892	1.5
79.01887	1.5
82.00647	1.0
83.01395	2.1
85.02968	6.9
87.00872	2.2
89.02456	17.7
95.01404	3.8
95.13007	0.7
96.79160	0.7
96.96011	1.4
97.02972	1.0
98.20602	1.7
99.00877	1.9
101.01810	0.9
101.02456	16.1
107.01408	7.2
111.00890	3.4
113.02464	9.4
119.03526	5.9
119.05013	1.5
123.00902	18.2
124.01691	2.1
125.02464	30.9
127.00386	1.2
135.04507	0.9
136.98856	2.5
137.02480	0.8
139.00392	6.5
140.01178	5.4
141.01982	1.9
145.02954	1.1
151.00378	12.7
153.01976	1.1
155.01900	0.8
161.04564	1.2
163.04018	2.4
168.00673	9.1
169.01445	43.3
169.12302	1.0
177.09227	1.7
179.03528	1.1
179.05707	0.9
184.24083	0.8
211.02510	25.3
241.03740	1.1
248.55263	0.9
262.86264	0.8
271.04611	39.4
272.04773	0.8
313.05783	1.8
331.06778	5.5
357.15540	3.5
375.16641	35.3
376.17117	0.9
483.18796	36.2
484.18970	3.3
509.16711	31.9
510.16986	1.8
527.17694	100.0
528.18274	4.2
538.29327	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	0.8
67.72707	0.5
69.03461	1.0
71.01392	2.3
71.23080	0.5
79.01913	0.9
83.01361	0.7
84.26517	0.6
85.02993	1.2
87.53197	0.4
90.91880	0.5
95.01401	1.6
97.02918	0.8
101.02470	1.3
107.01401	7.3
111.00859	1.1
113.02465	1.3
121.79404	0.4
122.03727	2.1
123.00894	9.1
124.01709	1.0
125.02462	42.1
126.02876	0.5
127.41479	0.6
136.01654	0.5
136.98828	0.8
137.02457	0.7
139.00395	3.6
139.04016	0.6
140.01158	2.2
141.01997	0.9
150.03242	13.2
151.00403	6.5
151.04039	3.1
165.05582	14.1
165.06900	1.1
168.00691	2.6
169.01447	59.2
170.01692	1.4
178.61032	0.5
179.03514	0.7
183.03050	1.3
211.02516	1.3
253.03658	0.8
273.85815	0.5
313.05673	18.7
314.06195	1.0
327.07465	0.5
478.07327	0.5
527.14081	100.0
528.14465	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	527.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	1.4
61.98838	3.3
67.01875	0.5
69.03462	2.2
71.01385	0.8
71.57652	0.3
72.99302	0.2
73.02955	0.4
79.01903	0.5
81.03461	0.6
83.01414	1.1
85.02961	0.3
88.98839	0.3
89.02455	0.4
93.03468	12.9
95.01402	0.7
97.02986	1.5
101.02431	0.5
107.01402	0.8
109.02945	1.3
111.00917	0.2
113.02480	0.4
117.03469	0.3
119.05066	0.4
121.02994	0.8
123.00918	2.1
124.01688	1.8
125.02460	62.3
126.02812	0.7
133.06622	0.3
137.02458	0.8
138.01994	0.5
139.00415	0.7
139.04086	0.3
143.05055	0.3
145.02954	0.8
146.03735	0.9
147.04506	0.3
151.00395	0.8
152.03616	0.3
153.01993	0.3
154.02765	0.2
159.04599	0.3
161.04774	0.4
161.06085	3.2
163.04076	0.5
165.01958	0.3
166.99884	0.5
167.03601	0.2
168.00648	3.0
169.01439	100.0
169.06429	2.3
170.01840	1.9
173.06096	0.4
175.03931	0.3
177.09280	0.3
179.03491	0.3
191.07123	0.6
197.09694	0.2
205.05064	6.8
211.02444	1.2
213.05582	5.7
214.05968	0.5
235.06129	12.4
236.06514	0.3
248.75124	0.2
256.61667	0.2
285.18533	0.6
313.05679	2.4
329.17609	0.9
329.23413	0.9
336.60840	0.2
467.25412	0.4
527.12091	18.6
527.21741	2.6
527.25610	3.0
527.34418	0.4
528.12128	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	3.5
61.98829	1.5
67.01888	1.7
69.03458	1.3
70.30126	0.8
70.30500	0.8
71.01389	5.0
71.05672	0.4
72.71553	0.6
72.99317	1.3
73.02961	0.5
75.00874	0.5
79.01891	2.9
80.84713	0.5
83.01412	0.8
85.02974	1.1
88.98830	2.8
89.02444	0.9
93.03470	45.2
94.03783	0.7
95.01402	3.2
97.02970	1.3
98.20020	0.6
99.00880	0.4
101.02480	0.7
107.01405	10.4
108.09045	0.4
111.00880	1.0
111.69300	0.4
112.75189	0.4
112.91793	0.4
113.02460	1.8
114.50726	0.5
121.02960	0.9
121.23739	0.4
122.06118	0.6
123.00903	30.4
124.01694	0.8
125.02462	34.3
126.02740	0.5
136.98810	0.5
137.02444	1.0
139.00392	8.2
139.04045	0.5
140.01178	2.8
141.01953	3.3
145.76003	0.5
149.02446	0.5
151.00386	17.7
152.07182	0.5
153.01918	1.8
165.01994	1.1
167.03497	1.5
168.00647	4.2
169.01442	55.1
169.06595	14.1
170.01791	0.8
170.06891	0.5
183.02963	1.1
184.88878	0.5
193.01411	1.6
199.80298	0.4
211.02504	12.5
213.05583	27.8
214.05992	0.6
223.02374	0.5
227.07158	22.2
228.07550	0.8
229.14445	0.7
250.66302	0.5
253.03528	2.1
255.06569	1.2
313.05667	11.1
467.09802	1.2
498.53320	0.6
527.11969	100.0
528.12317	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	4.0
57.03452	2.6
58.00598	0.6
59.01387	18.4
61.98840	1.0
67.01887	2.5
69.03461	1.1
69.25877	1.4
69.26300	3.6
71.01386	31.4
72.99308	1.6
73.02955	11.5
75.00884	1.2
83.01396	6.8
85.02956	18.0
86.00101	1.4
87.00860	3.0
88.98822	4.6
89.01965	0.7
89.02442	4.4
95.01398	4.6
97.02970	1.3
99.00887	4.8
101.02451	28.8
107.01405	2.2
109.02982	0.5
111.00883	9.2
113.02452	12.6
119.03511	1.7
122.06120	0.6
123.00890	8.8
124.01704	1.2
125.02456	11.0
129.01907	1.5
136.12483	0.6
136.98840	0.7
137.02446	1.4
139.00398	2.3
140.01183	1.6
141.01962	2.4
143.03519	1.3
151.00366	5.8
152.07091	0.8
159.02950	3.0
161.02548	0.7
161.04570	5.6
163.04021	0.8
168.00674	1.9
169.01419	10.6
179.03514	0.7
191.50414	0.6
211.02509	1.1
211.13393	0.6
279.81140	0.6
283.11020	1.0
298.08734	0.6
313.05695	0.8
313.11050	0.8
323.40900	0.6
347.47998	0.6
363.23911	18.7
364.24304	0.8
373.18832	1.1
413.14624	3.5
449.19168	0.7
476.14423	0.7
493.18524	0.9
507.18747	0.8
525.16577	13.4
525.22363	14.0
525.29333	100.0
526.16858	1.4
526.23688	0.9
526.29822	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	525.292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	5.1
57.03463	3.2
58.00570	1.4
59.01389	24.8
61.98829	4.8
67.01892	0.7
68.54259	0.6
69.03466	1.0
71.01392	37.6
71.57561	0.8
72.99311	2.6
73.02961	14.1
75.00887	1.3
75.50644	0.7
79.01904	0.9
83.01402	8.6
85.02962	21.2
86.00111	1.0
86.03332	0.6
87.00916	3.3
89.02455	6.6
89.08621	0.6
95.01375	5.3
97.02948	2.2
99.00879	7.0
101.02460	33.8
107.01410	2.3
111.00893	9.6
113.02460	15.2
117.03492	1.0
119.03555	1.3
119.05020	2.0
121.02934	0.8
123.00914	9.9
124.01582	0.8
125.02465	14.2
127.00269	0.9
129.01949	1.6
132.02176	0.9
136.01662	0.8
136.98874	0.9
137.02492	1.9
138.01987	4.2
139.00374	2.9
140.01125	2.1
141.01955	2.4
143.03491	1.4
145.02998	4.3
151.00375	6.4
151.03888	1.3
153.01945	1.3
153.09135	0.8
156.00697	1.3
157.08740	1.1
159.03023	4.3
160.01686	0.9
161.04578	10.2
163.04028	2.6
167.10747	0.9
168.00636	3.1
169.01430	16.6
211.02437	2.3
212.24763	0.6
230.99347	1.4
232.02074	0.7
238.11496	0.7
256.51715	0.7
271.04559	1.5
286.98239	1.7
298.13535	0.7
313.05374	0.8
314.97711	4.5
315.98474	1.4
319.06680	1.5
323.07394	0.7
327.21860	1.2
363.23914	24.0
364.24283	1.5
449.19336	1.0
493.18127	1.1
507.18362	1.8
508.16943	1.6
525.22754	39.3
525.29242	100.0
526.23004	3.5
526.29651	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	525.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.7
57.03456	4.7
58.00618	3.6
59.01385	72.6
61.87389	1.8
61.98843	14.8
66.70205	1.7
67.01865	1.7
69.03480	2.0
71.01390	80.2
72.99316	7.7
73.02956	26.3
75.00890	2.4
81.03509	2.4
83.01400	18.0
85.02961	43.0
87.00881	7.0
89.02456	31.7
95.01410	9.7
97.02963	4.9
99.00887	9.6
101.02454	89.5
107.01408	8.0
109.02953	3.2
111.00883	5.1
113.02465	39.6
117.03475	5.6
119.03508	14.6
119.05043	2.6
123.00897	25.3
124.01624	1.9
125.02474	28.9
127.03966	2.7
131.03473	2.4
135.04524	3.3
137.02458	2.7
139.00385	7.3
140.01154	6.6
141.01918	2.9
143.03506	7.0
145.02956	17.9
147.04562	2.4
151.00401	19.4
159.02977	4.2
161.04549	25.5
163.03951	2.3
168.00656	6.5
169.01445	43.8
170.01830	3.5
179.05632	7.2
211.02498	4.0
231.10545	1.8
313.05853	2.7
327.21695	17.7
363.14566	2.3
363.23880	73.0
364.24026	3.2
511.99515	1.9
525.22906	100.0
525.29376	66.4
526.23389	6.2
526.29614	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	525.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	7.7
57.03456	4.7
58.00618	3.6
59.01385	72.6
61.87389	1.8
61.98843	14.8
66.70205	1.7
67.01865	1.7
69.03480	2.0
71.01390	80.2
72.99316	7.7
73.02956	26.3
75.00890	2.4
81.03509	2.4
83.01400	18.0
85.02961	43.0
87.00881	7.0
89.02456	31.7
95.01410	9.7
97.02963	4.9
99.00887	9.6
101.02454	89.5
107.01408	8.0
109.02953	3.2
111.00883	5.1
113.02465	39.6
117.03475	5.6
119.03508	14.6
119.05043	2.6
123.00897	25.3
124.01624	1.9
125.02474	28.9
127.03966	2.7
131.03473	2.4
135.04524	3.3
137.02458	2.7
139.00385	7.3
140.01154	6.6
141.01918	2.9
143.03506	7.0
145.02956	17.9
147.04562	2.4
151.00401	19.4
159.02977	4.2
161.04549	25.5
163.03951	2.3
168.00656	6.5
169.01445	43.8
170.01830	3.5
179.05632	7.2
211.02498	4.0
231.10545	1.8
313.05853	2.7
327.21695	17.7
363.14566	2.3
363.23880	73.0
364.24026	3.2
511.99515	1.9
525.22906	100.0
525.29376	66.4
526.23389	6.2
526.29614	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	525.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.6
57.03451	2.5
59.01389	22.5
61.98846	2.0
69.28197	8.2
69.66264	0.9
70.23897	0.9
71.01389	28.5
72.99321	1.2
73.02945	11.3
75.00885	1.5
78.95911	1.0
83.01398	7.7
85.02966	16.9
85.70432	1.0
86.00116	1.2
87.00904	2.7
89.02464	2.6
95.01408	3.7
96.95985	1.1
97.02991	1.5
98.19952	2.1
99.00903	4.4
101.02461	25.7
101.03100	1.5
105.28577	0.9
107.01413	3.2
111.00903	5.2
111.51344	0.9
113.02458	13.4
123.00900	7.7
125.02464	13.3
125.03312	1.0
129.01950	1.2
130.09726	0.9
139.00395	2.5
140.01180	1.0
141.01971	1.1
145.02991	1.4
151.00381	4.9
159.03040	2.5
161.04570	6.6
165.05782	1.0
168.00655	1.3
169.01430	16.2
170.01680	1.0
171.10338	2.1
179.19756	0.9
183.13875	1.5
211.02469	3.7
211.13425	5.2
225.15118	1.1
229.14522	3.8
291.19595	1.8
313.05667	1.9
327.21796	64.0
328.22263	3.7
363.23917	17.5
493.18283	0.9
525.21124	20.4
525.29443	100.0
526.21930	1.5
526.29816	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74757	7.2
59.01384	38.0
61.98833	100.0
62.97803	6.3
71.01380	18.6
73.02959	9.7
85.02925	9.5
89.02454	9.6
101.02461	15.2
123.00829	7.7
124.01727	6.7
125.02467	13.4
152.01152	21.5
161.02486	20.6
167.03467	30.7
169.01447	8.4
220.46492	7.3
240.78035	7.4
243.32831	7.7
303.19785	7.7
474.41031	6.9
483.07288	7.9
489.26996	61.5
490.27353	8.6
525.24323	67.4
525.34540	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	525.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03442	1.1
59.01385	26.3
61.98843	3.4
67.01889	2.2
68.99805	0.7
69.02889	0.7
71.01390	10.0
72.99311	0.9
73.02959	3.2
75.52351	0.6
79.01892	1.0
83.01379	2.0
85.02948	3.5
87.00887	1.0
89.02474	2.6
95.01425	2.6
97.02944	1.0
97.89174	0.6
99.00874	1.3
99.04520	0.8
101.02469	6.9
107.01413	2.9
108.02222	3.0
109.02943	1.8
109.93250	0.5
111.00896	7.1
112.98759	0.5
113.02463	3.9
117.03461	1.5
119.03504	0.7
121.02991	0.6
122.03750	3.8
123.00900	12.9
123.04542	8.6
124.01744	0.7
125.02461	15.3
127.00365	0.6
136.98767	0.8
137.02463	1.5
138.01930	0.5
139.00398	5.0
140.01151	3.7
141.01941	1.5
145.01874	0.8
145.02959	6.9
151.00383	10.2
151.01552	0.7
151.93521	0.5
153.01909	1.6
161.04567	3.2
163.03993	1.1
165.05562	1.2
168.00636	4.9
169.01440	18.1
181.05067	0.6
183.13879	1.7
195.13980	1.0
196.70593	0.7
202.76546	0.5
211.02461	1.3
213.14986	16.6
252.08392	0.6
258.46826	0.5
268.03711	3.7
269.04507	1.9
313.05655	1.2
320.28101	0.6
327.21756	0.9
363.23920	5.4
418.21976	0.6
432.85788	0.6
457.87036	0.6
503.72522	0.6
525.23328	100.0
526.23621	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	525.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
57.03449	0.9
59.01390	7.9
61.98810	1.7
67.01877	2.0
69.03438	0.8
71.01384	9.0
71.04981	1.9
72.99269	0.9
73.02947	4.2
79.01870	1.5
83.01384	1.5
83.13183	0.8
85.02956	4.9
87.00849	0.8
89.02441	1.5
95.01385	2.2
97.02962	1.2
97.06599	0.9
99.00907	0.8
99.68800	0.8
101.02460	5.7
102.52876	0.8
107.01410	8.0
108.76810	1.0
109.74354	0.8
111.00882	1.5
113.02421	2.3
114.28400	0.8
123.00020	1.2
123.00897	22.2
123.04458	1.0
124.01672	1.3
125.02461	28.2
137.02402	1.1
139.00407	6.3
140.01118	2.3
141.01897	1.9
151.00380	14.7
153.01912	1.0
161.04515	2.2
165.12796	1.1
167.10791	1.1
167.14369	0.8
168.00629	3.3
169.01447	44.9
170.01727	1.0
171.10281	1.1
183.02922	1.4
193.01422	1.1
193.12309	1.1
195.13805	0.8
207.13860	1.4
211.02496	8.1
211.13425	12.0
215.82019	1.0
225.14940	6.8
229.14404	1.4
253.14467	1.5
313.05618	4.1
327.21765	33.5
328.21988	2.5
363.23853	7.0
373.18597	1.6
424.68167	0.9
465.17444	1.1
525.19666	100.0
526.20050	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61676	0.7
55.01874	0.7
57.03447	0.7
59.01388	14.4
61.98833	5.7
67.01885	1.3
69.03457	0.9
69.33781	5.4
71.01398	12.1
72.99277	0.8
73.02946	1.5
79.01875	1.9
79.54192	0.6
83.01387	2.3
83.54084	0.6
85.02968	3.5
85.80649	0.6
87.00872	1.1
89.02023	0.6
89.02460	7.3
95.01371	2.8
97.02961	0.6
98.20713	1.3
101.02457	7.4
107.01404	4.0
109.02933	2.7
111.00866	2.6
113.02461	4.2
119.03490	2.5
119.04994	1.2
123.00026	0.8
123.00906	14.7
124.01652	1.7
125.02467	19.8
126.02814	1.0
128.48102	0.7
133.02931	1.1
135.04510	1.7
136.98808	1.4
137.02441	1.4
138.01982	11.0
139.00409	4.8
140.01241	3.5
141.01929	1.5
145.02940	1.6
149.04517	1.6
150.03177	0.7
151.00386	10.5
151.03963	1.0
152.01204	1.0
153.01988	4.0
156.00650	0.8
161.02469	3.2
161.04535	1.7
163.03966	0.9
167.03455	0.7
168.00685	6.1
169.01442	25.9
170.01784	1.2
179.03406	2.2
189.02719	0.6
193.12373	0.7
195.02895	2.6
211.02466	10.7
255.05006	2.0
271.04602	11.2
272.04767	0.7
301.00006	0.7
323.07819	6.7
331.06299	0.9
363.23547	1.0
373.18558	2.1
437.14197	1.0
462.10455	1.7
465.18118	0.9
465.24527	0.7
507.18912	10.2
508.18076	1.2
525.19653	100.0
526.19897	9.3
553.46606	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04983	0.4
59.01387	3.2
60.99302	1.8
61.04779	0.3
61.98838	4.3
63.02392	1.3
65.00323	1.1
70.30743	1.4
71.01418	1.9
72.55849	0.4
72.99274	0.4
75.00875	2.1
78.95890	0.6
83.01387	1.6
85.02929	0.7
87.00854	0.6
88.00397	0.5
88.98820	12.0
89.02442	4.4
95.01406	0.6
97.02965	0.4
99.00864	0.6
101.02442	1.2
107.01403	3.2
111.00857	0.4
113.02465	0.4
117.03465	2.9
123.00901	2.3
124.01711	0.6
125.02447	2.9
136.07692	1.0
137.02385	0.5
138.01933	0.8
139.00427	0.7
140.01158	0.6
145.02966	2.7
148.01703	0.8
148.88968	0.4
149.02425	1.1
149.99680	0.9
151.00368	5.1
163.04039	0.5
169.01442	3.9
171.04510	1.8
172.05289	1.2
183.04474	0.5
184.05304	0.7
195.04605	0.7
196.05269	1.0
197.02379	0.4
197.11836	0.6
200.04767	1.0
211.04092	2.3
212.04811	1.1
225.05554	0.8
239.03490	4.7
240.04300	5.5
267.02991	1.7
268.03775	100.0
269.04541	54.4
270.04941	2.0
276.92429	0.4
283.06186	0.7
293.08844	0.7
311.05667	1.5
316.76154	0.4
327.21808	5.0
497.19452	0.6
525.10461	65.8
525.23480	12.3
526.10834	4.9
526.23456	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10324	0.2
57.47223	0.3
59.01385	0.9
61.98837	100.0
69.46661	1.8
71.01381	0.4
73.02978	0.3
94.42387	0.3
98.20626	0.5
101.02427	0.6
107.01427	0.3
119.20775	0.3
123.00908	0.9
125.02466	1.2
138.01999	0.9
139.00450	0.3
145.02963	0.6
145.55151	0.2
147.79558	0.3
151.00418	0.6
157.48198	0.3
166.27510	0.3
169.01431	1.4
171.95728	0.3
198.36806	0.3
241.00421	0.2
404.94421	0.3
524.22308	3.4
525.23358	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	523.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25308	17.8
78.79714	18.4
89.93997	19.9
98.19895	62.0
110.63439	25.7
113.01341	18.9
139.12817	22.6
146.73935	19.1
158.38531	18.3
160.38910	22.2
174.82831	22.0
229.49551	24.9
487.34195	100.0
523.31848	84.6
524.31964	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.32
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37127	0.5
69.59234	1.1
69.59647	3.3
97.68185	0.6
97.77240	0.6
98.19961	0.8
100.16632	0.5
121.57238	0.6
142.34521	0.6
148.72800	0.6
273.57870	0.6
399.36301	3.4
425.34564	0.7
443.35339	25.3
444.35495	2.5
469.33368	1.6
487.34335	100.0
488.34720	9.6
523.33173	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76303	1.7
54.17688	1.5
55.01889	2.5
57.02975	2.0
59.01397	19.2
60.08857	1.7
61.98844	14.4
67.01910	2.1
68.16811	2.1
69.25510	3.1
69.25916	16.6
71.01392	23.7
72.99306	2.2
73.02943	5.5
79.01902	2.2
81.03481	1.8
83.01398	4.1
85.02966	8.7
89.02456	5.0
95.01403	5.1
97.02979	2.2
98.20724	2.5
99.00898	3.5
101.02460	13.2
107.01412	16.8
109.03025	2.1
111.00888	6.3
113.02478	7.5
119.03514	2.2
119.05042	2.6
123.00903	41.9
124.01215	2.2
125.02458	58.1
126.02807	5.6
135.04674	1.8
136.56102	2.0
136.98828	2.5
137.02518	2.3
139.00395	14.7
140.01149	5.6
141.01984	3.9
145.02933	2.2
147.04498	10.1
149.02499	2.2
151.00389	27.9
153.01941	4.7
153.29781	1.7
161.04695	2.4
161.06102	10.0
163.04150	2.1
165.01921	2.5
167.03500	2.5
168.00667	5.4
169.01443	90.9
170.01801	7.5
181.75896	2.0
189.05508	1.9
211.02560	12.3
211.13411	5.4
213.29781	1.8
225.14957	2.9
300.99939	3.9
313.05594	5.2
327.21848	7.9
361.29730	7.5
362.30167	3.2
363.23868	4.4
461.10938	83.0
462.11530	8.1
465.17749	1.9
492.17719	1.9
523.22113	28.2
523.34607	14.8
524.22339	100.0
524.35254	8.6
525.19604	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85376	3.3
59.01372	4.5
69.43830	12.7
69.44254	16.2
128.03476	4.4
143.04646	4.2
210.70502	3.6
295.22781	6.0
316.25961	4.3
467.31677	10.0
487.34485	78.2
488.34460	11.3
523.32074	100.0
524.32361	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	523.32
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74932	7.1
55.37089	6.7
59.01385	9.9
71.57671	11.1
96.23878	6.7
232.74617	7.2
423.48642	9.7
427.32220	10.5
487.34323	27.9
523.20599	7.3
523.23682	9.1
523.31787	100.0
524.32257	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	523.232
Annotation	Vielanin C
Peak:m/z	Relative Intensity
57.03463	3.3
59.01385	100.0
61.98835	72.8
71.01390	42.0
71.57782	4.5
72.99324	4.0
73.02952	12.7
75.00909	4.5
83.01398	9.1
85.02967	14.0
89.02453	11.1
96.96032	4.2
99.00903	6.8
101.02455	27.5
107.01421	4.3
109.06622	3.1
111.00864	5.8
111.56019	3.1
113.02449	14.6
122.06142	19.6
122.93777	3.3
123.00911	6.8
125.02443	22.7
131.07153	6.1
143.90562	3.3
145.02982	3.5
152.07230	19.1
157.16284	3.4
161.04585	12.4
169.01416	21.3
181.91495	3.3
191.64464	3.6
206.38872	3.9
227.00237	3.5
243.13266	3.0
260.17007	3.6
285.04120	6.1
301.00146	4.2
313.05630	15.6
358.19254	8.7
391.26950	9.9
463.26016	4.2
463.32748	52.5
487.25546	49.3
491.19772	3.7
523.06067	5.4
523.22430	72.0
523.32208	18.5
524.22504	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	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72049	0.6
55.01823	1.6
57.03401	1.5
59.01321	22.7
59.01647	2.1
69.55400	1.3
69.55805	2.8
71.01389	16.8
71.01740	1.0
72.99259	1.3
73.02879	3.5
83.01404	3.5
85.02965	6.8
87.00803	1.9
89.02462	7.4
91.11350	0.6
93.03438	1.3
95.01322	1.7
96.95979	1.3
99.00807	2.4
99.01381	0.6
100.34949	0.6
101.02457	12.7
108.02106	1.1
109.02973	4.9
110.94833	0.5
111.00841	1.4
113.02466	6.0
116.79257	0.5
118.13147	0.5
119.03492	3.3
119.04985	0.8
121.02969	9.4
122.03751	12.6
123.00813	1.0
123.04471	2.3
124.01614	0.6
125.02382	2.0
129.03421	1.1
134.03615	1.0
135.04483	2.0
136.05229	1.6
137.02446	2.9
146.03610	0.7
147.04535	7.4
148.05247	1.0
149.05989	1.5
151.00296	0.8
154.02657	1.2
155.08952	0.5
160.05217	0.6
161.04491	1.0
161.05992	3.2
163.03989	0.9
164.04637	0.6
165.05583	25.3
166.05864	0.8
166.49416	0.6
169.01393	1.5
173.06024	0.9
175.07538	1.0
175.97188	0.7
178.06316	1.2
179.07124	6.6
191.07079	1.8
209.08107	0.8
211.02495	1.1
228.51225	0.5
298.12070	1.8
299.12634	0.7
313.14359	2.2
315.12350	2.4
321.40558	0.7
328.13293	2.9
329.13577	1.0
343.15558	4.3
346.14169	9.3
347.14743	2.2
361.16583	92.4
362.16946	6.6
494.17847	0.6
523.22021	100.0
524.22266	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	523.2193
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01387	1.0
63.11728	0.3
69.57890	2.5
71.01389	1.8
71.92941	0.4
73.02963	0.7
75.00883	0.7
77.12503	0.3
85.02965	1.0
87.00889	0.4
88.45739	0.4
89.02483	0.6
93.03452	1.4
95.01393	0.5
96.96013	1.7
98.27704	0.4
101.02438	0.7
108.02194	0.6
109.02966	4.7
109.03623	0.6
111.04456	0.4
113.02489	0.9
119.04993	0.4
121.02975	12.9
122.03755	11.6
123.00900	0.6
123.04600	1.7
124.01661	1.1
125.02447	1.3
128.67627	0.3
129.03441	0.7
134.03687	0.7
135.04529	1.9
136.05350	0.8
137.02460	2.3
145.02951	0.6
146.03519	0.4
147.04546	5.9
148.05321	0.7
149.06032	1.0
150.03241	0.7
154.02748	1.4
155.10873	0.5
161.04691	0.7
161.06082	2.6
163.04024	0.6
164.04785	0.6
165.05594	24.2
166.05975	0.9
168.00629	0.4
168.04263	0.4
169.01447	1.7
178.06335	0.6
179.05733	0.6
179.07170	7.5
191.07265	0.4
199.09756	0.9
209.08180	0.4
211.06085	0.4
223.09776	1.2
247.02504	0.4
266.82413	0.4
298.12103	0.7
301.10852	0.4
313.14548	1.0
315.12576	2.0
316.13171	0.5
343.15598	0.7
346.14240	9.7
361.16608	100.0
362.16925	6.8
523.15125	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03454	0.5
59.01387	2.8
65.00316	0.2
67.01893	0.7
68.99825	0.3
69.03457	0.5
69.26974	0.8
69.27401	0.5
71.01389	2.8
72.99322	0.6
73.02954	0.9
77.26707	0.1
79.01905	1.0
82.00593	0.2
83.01406	1.0
85.02961	1.5
86.00066	0.1
87.00871	0.4
88.75223	0.1
89.02456	0.2
95.01405	1.7
96.99362	0.2
97.02967	0.9
99.00889	0.4
101.02460	2.2
103.42278	0.1
107.01402	3.6
109.02957	0.3
110.00117	0.3
111.00881	2.1
113.02444	1.2
123.00900	14.5
124.01705	1.5
125.02460	15.4
126.02814	0.2
127.00389	0.8
135.04524	0.2
136.98828	1.4
137.02449	0.2
137.09711	0.3
138.99324	0.3
139.00394	5.2
140.01183	3.2
141.01967	1.9
151.00386	10.6
151.04008	0.3
152.00751	0.2
153.01985	1.0
154.99884	0.2
163.04002	0.3
165.05550	0.2
166.99806	0.2
167.99211	0.3
168.00648	3.5
168.02019	0.3
169.01436	19.8
170.01753	0.4
177.04045	0.3
179.03468	0.4
181.05122	0.4
193.05022	0.3
201.72256	0.1
209.04529	0.2
209.15559	0.6
211.02489	1.2
223.02516	0.4
253.03607	0.4
271.04599	1.0
278.43420	0.1
299.24997	0.1
313.05685	1.4
329.05161	0.1
418.10449	0.1
523.21869	100.0
524.22217	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	523.219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95983	0.6
57.03460	0.8
58.00564	0.4
59.01389	7.7
61.98840	8.9
63.97420	0.5
67.01903	1.3
67.19057	0.5
68.99845	0.6
71.01394	6.7
71.57542	0.8
72.99322	0.9
73.02952	2.1
75.00893	1.0
79.01891	0.7
81.03465	0.6
83.01410	1.5
85.02966	2.8
87.00895	0.8
89.02455	1.7
92.85101	0.5
93.03465	0.8
95.01427	2.6
96.96036	0.9
97.02996	0.7
99.00884	1.2
101.02467	4.3
107.01406	4.3
108.02219	0.9
111.00858	3.0
111.99601	0.7
113.02471	3.4
117.03491	0.7
119.03508	1.0
119.05033	1.6
123.00902	15.0
123.01768	1.0
123.04487	2.6
124.01726	0.7
124.04868	1.1
125.02462	18.8
127.00402	1.1
135.04503	2.7
136.98854	1.8
137.02478	0.9
139.00395	6.3
140.01178	4.7
141.01984	2.1
145.02979	3.7
150.06934	1.4
151.00386	10.4
151.03999	1.0
152.01178	0.8
153.01976	2.3
153.05565	3.2
154.05948	1.5
155.03487	0.7
155.98639	1.1
161.02505	0.6
161.04556	1.0
163.04062	1.3
165.19829	0.6
168.00661	4.7
169.01442	25.9
170.01765	0.7
175.03944	0.7
179.03537	3.8
179.10797	0.9
208.23138	0.7
209.12090	0.6
211.02509	2.4
222.95230	0.5
271.04718	2.0
271.09845	0.6
299.99249	2.4
301.00012	0.7
307.08331	1.1
313.05594	1.3
325.20209	1.2
347.78769	0.5
361.22104	0.9
361.29514	1.0
403.12863	0.9
448.61804	0.6
462.35602	0.5
462.44800	0.5
487.15891	0.7
523.21997	100.0
523.33203	7.1
524.22327	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	523.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.3
57.03455	2.3
58.70395	1.1
59.01387	26.9
60.01725	1.4
61.98838	13.5
63.80508	1.1
65.16485	1.2
67.01910	1.5
69.03451	2.0
71.01395	20.2
71.57990	2.1
72.99306	2.5
73.02961	18.6
75.00891	1.8
75.24030	1.1
78.95911	2.3
79.01891	2.3
81.03451	1.7
83.01402	10.8
85.02974	7.2
87.00899	1.5
89.02466	5.0
95.01411	5.5
96.96030	10.0
96.96976	2.9
97.02988	2.6
98.95613	9.2
98.96181	1.2
98.96474	1.1
99.00874	3.6
101.02458	13.2
101.22318	1.2
102.49170	1.3
107.01391	9.7
108.02211	3.0
109.02991	3.3
111.00910	2.8
113.02457	7.1
117.03453	1.5
119.03533	2.2
119.05037	6.9
123.00901	24.4
123.04519	3.5
124.01718	1.7
124.04893	1.3
125.02465	62.0
126.02836	1.4
133.02989	2.4
135.04541	5.2
136.98726	1.4
137.02487	3.0
138.02005	2.1
139.00410	12.3
140.01166	11.5
141.01938	3.4
145.02988	4.5
151.00410	15.8
152.00899	1.7
153.01952	4.2
153.05597	4.1
154.05959	2.1
155.03514	7.2
155.10814	2.7
161.02496	7.4
161.04663	2.1
163.04045	6.9
165.01883	1.8
167.03549	2.1
168.00658	4.6
169.01445	100.0
170.01753	1.6
177.01926	1.4
179.03519	4.9
179.10831	1.6
193.01413	3.2
199.09718	2.8
209.11856	8.6
211.02469	12.0
229.08609	8.6
237.01802	1.4
251.12816	1.5
253.03677	1.9
273.07791	8.2
288.09937	2.6
297.07678	1.5
299.99100	3.3
300.99933	2.6
312.99866	1.5
313.05627	7.1
314.00827	1.5
325.09219	1.4
343.15497	1.6
361.16400	2.0
361.29642	5.5
463.15326	2.1
523.08923	5.3
523.18683	76.2
523.21313	71.6
523.33929	15.5
524.11005	2.1
524.21259	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	523.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	8.8
57.03249	0.5
57.03456	6.4
58.00600	1.9
59.01384	49.2
61.98847	4.0
67.01903	1.0
69.03461	2.5
69.45235	4.9
71.01388	100.0
72.01715	0.8
72.99310	4.0
73.02953	32.9
74.99092	0.7
75.00885	1.3
75.56156	0.6
79.01905	1.7
81.03497	1.3
83.01398	14.7
85.02960	43.1
86.49749	0.6
87.00889	5.6
89.02454	24.3
93.03505	1.5
93.55122	0.8
95.01398	8.6
96.96063	0.8
97.02965	5.7
99.00887	12.3
101.02453	82.4
101.35564	0.6
107.01421	3.8
109.02979	1.2
111.00875	4.2
113.02460	41.1
114.02855	0.9
119.03510	9.2
119.05019	1.0
123.00902	13.0
123.04546	0.8
124.01697	1.1
125.02462	22.1
129.01978	1.8
131.03560	2.7
135.04543	0.8
136.98828	1.2
139.00403	4.1
139.04012	0.8
140.01187	3.1
141.01996	2.2
143.03519	7.9
149.04597	0.8
151.00381	10.4
151.01549	0.7
151.67976	0.7
153.01950	1.5
159.02986	8.1
161.04573	52.6
162.04958	1.0
163.00546	0.7
163.04079	1.8
168.00722	2.8
169.01436	20.7
169.02794	1.3
179.03770	0.8
179.05716	4.6
185.23578	0.6
205.03592	0.9
211.02591	1.7
221.04556	0.7
221.06856	2.3
223.02831	0.7
245.06764	2.3
255.05273	1.3
259.14407	0.7
263.07690	3.8
271.04663	0.9
323.09964	1.4
361.12930	32.4
361.29700	3.1
362.13519	0.8
456.71579	0.7
523.22400	82.2
523.35608	9.6
524.22589	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	523.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95022	0.6
55.01871	0.7
56.03178	0.6
59.01382	1.6
59.92331	0.7
69.03463	0.8
69.47530	4.3
71.01397	3.4
72.16730	0.6
72.99309	0.8
79.01878	0.9
81.03484	0.9
85.02963	1.2
87.00864	1.0
95.01402	1.7
96.96022	2.9
97.02961	0.9
101.02460	1.0
107.01402	10.2
111.00913	3.5
113.02446	0.9
120.71873	0.7
120.99650	0.9
122.03724	0.9
123.00901	8.1
124.01611	1.6
125.02461	54.5
126.02810	1.3
127.00382	1.6
136.98856	1.8
137.02441	1.4
139.00410	4.3
139.03981	1.0
140.01181	3.7
141.01888	0.9
150.03397	0.6
151.00381	5.5
151.04005	1.9
161.02473	4.5
162.03221	1.0
165.01959	1.3
168.00687	6.6
169.01451	72.4
170.01794	1.8
176.04807	2.1
179.03529	7.9
180.04213	1.7
183.02971	2.9
191.07173	1.2
193.01396	0.8
194.05859	7.6
195.06592	3.3
201.31667	0.6
209.01004	0.7
209.08156	4.0
211.02461	1.5
223.02321	0.8
241.03520	2.5
297.06183	2.4
313.05658	23.5
314.06036	1.0
327.07367	4.0
343.12177	0.8
361.15741	1.0
449.81290	0.7
508.09515	0.7
523.14600	100.0
524.14984	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	523.1457
Annotation	verminoside
Peak:m/z	Relative Intensity
59.01394	1.5
69.81625	3.0
71.01389	1.0
72.99315	35.5
77.43024	0.6
82.95425	22.5
87.00908	0.7
96.96041	1.3
97.80200	0.6
98.20602	1.3
117.03474	4.5
119.05049	6.3
121.02976	2.2
123.00898	0.8
123.04540	2.7
125.02435	3.3
133.03006	1.7
134.03758	7.0
135.04543	17.9
137.02490	1.0
147.04547	2.1
149.02431	1.2
150.03278	2.1
151.04030	5.4
162.03270	2.2
163.04062	2.0
165.01987	1.3
166.00256	0.6
169.01418	4.6
177.01906	1.0
178.02739	2.8
179.03505	3.0
211.11302	0.8
225.09299	2.4
225.27415	0.7
237.09224	8.4
253.08682	3.5
269.08182	2.8
277.12146	0.6
281.08170	11.2
281.11020	0.8
282.08383	0.9
287.09250	1.5
297.07709	6.1
299.09225	6.1
300.99826	1.4
302.00247	0.8
313.05710	1.0
313.98563	0.7
315.08798	5.3
325.07242	10.0
343.08231	11.7
343.12192	1.2
344.08609	0.8
361.09317	100.0
362.09500	4.8
403.10416	1.8
439.08698	2.0
523.14569	41.4
524.14954	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20397	0.7
59.01387	5.1
68.99830	3.0
71.01404	2.3
71.56152	0.9
81.34611	0.7
83.74666	0.7
85.02962	1.0
89.02471	1.6
93.03473	0.7
96.96008	1.4
96.96980	2.0
97.02871	0.7
101.02469	1.9
109.02982	7.4
113.02442	1.2
117.03493	0.9
125.02476	2.4
130.04254	0.8
131.05063	1.8
136.01787	0.8
137.02444	2.8
137.35522	0.7
143.05013	3.4
144.41737	0.7
145.02950	1.9
145.06645	1.3
147.04558	1.7
148.81259	0.7
149.02438	0.7
149.06029	1.0
155.05060	1.7
157.02919	1.4
158.03757	1.4
159.04550	3.8
161.06076	6.1
163.04031	0.9
169.01471	2.4
169.02849	1.7
170.03610	0.8
171.01964	1.2
171.04543	9.3
173.02440	1.0
173.06114	2.3
174.03271	2.3
175.04044	5.5
185.02402	1.5
187.04039	7.5
189.05582	9.4
191.05630	0.8
197.02467	2.9
198.03238	2.0
199.04022	7.4
200.04446	0.8
201.01990	1.5
201.05647	1.1
203.03607	3.6
213.01938	3.6
214.02777	5.3
215.03517	15.6
216.04207	3.0
217.05090	9.2
225.01840	4.2
226.02525	1.0
227.03535	5.8
241.01465	1.8
242.02267	4.6
243.02998	16.8
244.03699	2.8
245.04533	6.9
255.02995	3.2
259.26175	0.7
269.01077	1.6
270.01682	2.7
271.02460	2.6
273.04074	100.0
274.04443	4.4
299.01990	28.4
300.02377	0.9
317.03055	60.7
318.03491	2.0
331.06842	0.9
346.06369	1.0
361.02109	5.9
384.85904	0.9
444.75427	0.8
479.08221	2.5
485.08401	2.4
523.07324	26.5
523.13580	1.0
524.07776	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	522.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	6.0
59.05069	0.6
61.98839	8.9
67.01922	0.8
69.03480	0.6
69.50468	3.3
69.50886	1.5
71.01385	5.5
71.54420	0.6
72.99341	1.0
79.01920	0.8
83.01419	1.1
85.02975	3.0
87.00918	1.0
89.02483	1.8
95.01434	2.5
97.02979	0.7
99.00921	1.2
101.02449	3.7
102.85526	0.8
107.01437	2.6
109.02973	17.6
109.03706	1.2
110.03291	5.2
111.00893	3.8
113.02474	1.2
123.00907	11.6
124.01696	2.4
125.02470	12.1
126.02844	0.8
127.00423	0.7
135.00883	1.4
136.98793	1.0
137.02455	1.3
139.00389	5.2
140.01181	3.4
151.00389	9.2
152.01202	3.7
153.01959	28.9
154.02284	8.7
160.89764	0.7
163.04056	0.8
165.31081	0.6
168.00673	2.7
169.01440	14.1
170.01840	0.7
179.03439	0.7
195.02997	5.9
196.03357	3.4
205.12364	1.3
206.12766	1.1
211.02525	0.7
212.02791	0.7
255.04962	4.3
256.05530	2.3
272.04871	1.5
273.05118	1.1
274.05423	0.9
313.05844	1.0
335.06436	0.9
411.44806	0.6
459.18765	100.0
460.12817	1.1
460.19128	6.4
504.19498	1.0
507.06250	0.7
521.20062	0.8
522.20654	82.5
523.21350	7.7
531.17572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42762	0.8
55.01881	1.4
59.01377	4.1
61.98839	8.1
67.01893	1.0
70.07395	2.0
70.07778	1.9
71.01381	3.2
73.02921	1.3
79.01926	0.9
83.01386	2.0
85.02982	1.7
89.02464	2.1
95.01390	1.9
96.96045	1.9
97.02959	0.9
98.19956	1.0
99.00890	1.1
101.02452	3.0
107.01408	3.1
109.02953	0.9
111.00911	2.0
113.02473	1.1
123.00908	12.3
124.01691	2.0
125.02454	12.5
135.58545	0.9
136.98801	1.0
139.00389	3.0
139.04024	1.4
140.01175	3.1
141.01935	1.2
145.02917	1.4
151.00394	8.6
153.01947	1.3
161.04564	1.0
168.00662	3.7
169.00000	1.5
169.01430	21.5
179.03455	0.8
191.03568	1.0
251.21123	0.9
268.02612	0.8
271.04666	0.8
313.05753	1.3
361.16669	3.0
459.18765	100.0
460.19308	7.8
463.22018	1.9
523.18005	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	521.3041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53255	7.2
59.17989	7.3
119.38185	9.5
142.64366	7.3
431.55969	8.8
485.32788	19.7
521.30304	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.86895	6.2
65.59458	5.9
70.20538	5.5
71.20435	11.5
74.79305	5.4
84.24619	5.4
84.57577	5.1
86.31967	7.0
114.43745	5.6
116.46046	5.0
169.19379	5.5
170.74477	5.2
184.82149	6.6
219.16133	6.2
485.32773	100.0
486.33139	8.7
516.51697	6.1
521.30347	10.7
546.14807	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	522.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55405	1.0
58.50031	0.9
59.01399	2.9
59.77456	1.0
61.98839	9.2
69.30455	8.0
71.01395	4.1
85.02974	1.5
89.02466	0.9
95.01422	1.6
101.02435	1.8
107.01396	1.8
109.02970	3.7
111.00891	2.6
123.00895	11.0
124.01675	2.1
125.02450	10.4
139.00386	4.9
140.01175	3.0
141.01973	1.1
150.07915	0.9
151.00371	8.9
153.01935	6.5
154.02274	3.4
160.01758	1.0
163.04094	1.2
168.00674	2.8
169.01453	14.8
195.03067	1.5
255.05014	1.7
320.13055	1.1
376.83530	1.0
459.18741	100.0
460.19177	6.0
522.20721	21.1
523.21686	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	521.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26013	2.4
59.01385	76.2
60.97219	2.9
61.98833	6.7
69.03448	3.3
69.41714	15.9
71.01390	78.9
72.56769	2.5
72.99329	2.8
73.02950	18.8
78.95910	6.2
81.03441	3.8
83.01380	4.7
85.02953	9.7
89.02452	100.0
96.96026	14.2
96.96995	4.8
97.02959	7.6
99.00899	21.4
101.02459	34.0
107.01373	2.9
113.02470	10.9
115.04037	3.3
119.03484	4.0
121.02951	3.1
123.00850	4.9
125.02456	42.2
131.03528	14.1
139.00378	2.7
143.03516	4.7
149.04590	55.3
151.00366	4.1
153.05602	4.5
160.01616	3.2
161.04564	7.3
166.02867	2.7
167.10785	21.6
169.01407	13.9
175.04031	3.8
191.05714	14.0
209.11823	3.8
211.02444	4.5
215.16492	4.7
221.00380	2.4
221.06572	4.8
233.06680	20.3
271.04620	5.3
275.07828	3.9
293.08838	55.6
294.09222	4.1
306.14661	3.3
311.09991	5.2
331.88660	3.3
359.11478	7.6
359.15369	3.2
359.27814	3.1
377.21890	12.4
450.17700	3.0
483.22519	10.3
521.20758	31.5
521.34418	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	521.2396
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99859	0.4
56.61073	0.4
59.01389	5.3
60.99347	0.3
61.98836	3.2
71.01381	2.1
73.02943	0.5
78.95901	0.4
85.02962	0.7
89.02468	0.7
93.03465	1.2
99.00895	0.4
101.02454	1.3
105.62970	0.4
111.00916	0.3
113.02475	0.8
117.03477	0.8
119.05038	100.0
120.05378	3.0
125.02467	0.6
134.06044	0.4
136.07741	0.7
137.08023	0.4
145.02953	1.7
161.04521	0.8
163.04022	84.9
164.04347	2.3
169.01422	0.9
179.03554	0.5
195.06587	0.3
203.94373	0.4
225.27011	0.4
289.59283	0.4
299.16504	0.8
307.08353	0.4
325.20264	0.8
348.46603	0.3
375.20193	0.5
445.19937	2.0
461.31799	0.8
477.32373	0.4
489.18967	0.7
521.23962	0.8
521.32056	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	521.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	1.5
58.00595	1.8
59.01382	55.0
61.98836	4.8
69.47247	3.6
69.47671	4.3
71.01386	30.5
72.99295	2.2
73.02950	3.8
81.03457	1.7
83.01389	1.7
85.02952	5.2
89.02450	37.5
95.01408	1.4
96.96021	2.0
97.02967	1.9
98.19944	2.6
99.00905	3.0
101.02453	11.4
107.01407	1.4
108.02200	1.2
109.02950	2.0
111.00890	1.9
113.02478	5.7
117.03465	1.1
119.03524	2.0
123.00919	2.0
123.04537	29.8
125.02465	15.1
131.03500	15.9
137.02528	1.1
143.03505	1.4
149.04578	16.0
151.00378	3.1
152.01152	2.1
153.01913	2.2
153.05585	37.0
161.04562	1.5
167.03519	8.9
167.10782	100.0
168.11128	2.1
169.01418	4.1
179.10768	1.5
191.05606	5.6
207.68971	1.3
226.17459	1.2
233.06665	1.6
273.07803	2.0
273.91809	1.3
293.08789	11.8
315.10916	2.4
377.21765	1.6
521.15509	5.6
521.23676	11.8
521.33289	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	521.203
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
59.01392	2.1
59.28605	0.3
62.57038	0.3
69.33724	3.0
71.01397	2.2
71.97109	0.3
73.02934	0.8
81.74124	0.3
85.02959	0.8
88.98818	0.6
89.02460	1.0
95.01458	0.4
96.96008	0.6
98.19939	0.8
99.00886	0.6
101.02464	1.8
104.57189	0.3
108.02175	0.8
109.02229	0.7
109.02960	13.8
113.02470	1.3
121.02926	0.5
123.00867	0.5
123.04513	0.9
125.02437	1.2
132.00230	0.4
137.02480	0.6
147.04515	0.5
149.04436	0.4
159.03204	0.6
159.04535	7.6
161.04555	0.9
161.06029	0.5
164.41754	0.3
169.01428	0.7
171.04561	0.5
173.06078	5.1
188.04565	0.3
189.05577	4.6
190.06287	0.9
191.07176	2.5
201.05545	0.5
203.07097	2.2
205.08853	0.3
213.05569	1.0
225.05556	0.8
239.07153	0.4
240.04321	2.2
241.05083	10.3
242.05539	0.5
255.06615	7.5
256.07242	0.6
265.08691	0.6
267.06677	1.3
269.08130	2.5
271.09915	0.4
271.88724	0.3
281.08234	0.8
283.09650	0.4
295.09766	1.0
298.08450	1.1
298.87698	0.4
299.09274	8.5
313.10828	11.5
314.00583	1.1
314.11176	0.5
326.51251	0.4
327.12488	0.9
329.10336	4.9
343.11890	2.8
344.12650	33.1
345.13065	2.2
357.24387	0.4
359.15024	100.0
360.15350	6.9
431.14975	1.0
521.20044	1.2
521.26721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24178	0.6
55.30962	0.6
57.84375	0.6
59.01389	6.4
61.98823	2.0
67.01917	0.6
69.81390	3.2
71.01391	5.6
72.99347	0.5
73.02929	1.1
81.03484	0.6
83.01382	0.6
85.02959	2.0
89.02451	1.6
95.01411	1.9
96.51334	0.5
96.99347	0.6
99.00900	0.6
101.02447	2.2
107.01408	1.8
108.02143	0.8
109.02969	23.1
111.00888	2.2
113.02465	1.9
123.00911	5.3
124.01656	1.8
125.02466	4.5
135.00954	1.7
136.05321	1.1
137.02420	1.0
138.06993	0.6
139.00407	1.1
139.03973	0.6
140.01212	0.7
151.00359	2.4
152.01176	5.2
152.08444	0.7
153.01958	45.8
153.09250	2.3
154.02301	1.0
160.01691	2.1
163.11377	0.7
168.00697	1.6
169.01431	4.7
175.04028	2.1
183.06641	0.9
193.04996	0.9
195.03012	10.1
204.24971	0.6
205.12366	2.9
211.02567	1.7
212.02788	1.5
237.04156	0.7
255.05154	7.8
271.04657	2.3
272.04953	2.3
273.05057	2.6
337.09283	1.8
459.18768	22.6
503.19388	0.8
521.20313	100.0
522.20636	8.7
542.20856	0.6
543.93518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40496	0.5
59.01386	2.9
59.15471	0.6
69.23689	3.3
69.24117	1.8
71.01400	3.9
72.99322	1.1
85.02964	1.6
89.02464	1.2
95.01466	0.8
96.96003	0.7
101.02485	1.5
104.14026	0.6
109.02956	1.5
111.00916	0.7
113.02462	1.7
119.05058	1.2
121.02957	4.2
122.03745	1.5
123.00903	1.7
123.04590	0.8
124.01668	2.3
125.02455	7.8
128.56334	0.5
135.04523	0.5
136.05328	0.8
137.02464	10.6
138.03197	1.5
139.04010	1.2
143.05038	1.1
145.02972	2.5
146.31615	0.6
147.04507	2.3
149.02437	1.5
150.03239	4.9
151.00374	2.3
151.04013	2.1
158.03786	3.0
158.04942	0.5
159.04526	9.3
160.05315	25.6
161.04539	1.4
161.06073	7.4
162.03299	0.6
163.04037	5.6
164.04814	5.4
168.00688	2.9
168.04253	0.8
169.01445	12.1
169.04929	0.6
173.06122	3.2
174.37874	0.5
175.07657	25.1
176.08025	1.3
177.05582	6.2
178.06360	8.1
192.07935	1.6
193.08679	2.8
195.02969	0.8
212.03221	3.9
213.04021	1.8
274.27435	0.6
275.43652	0.5
307.08389	0.7
311.09476	0.7
313.05643	1.3
314.11584	2.3
329.13965	100.0
330.14340	5.5
331.06616	1.2
341.13657	0.7
359.15222	3.8
375.09354	6.4
477.10208	2.6
521.09674	5.0
521.20215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	1.7
67.01872	0.3
69.49237	2.2
71.01398	1.2
79.07775	0.3
80.93579	0.3
85.02959	0.5
88.28732	0.3
89.02485	0.3
101.02434	0.3
107.01397	1.5
111.00893	0.7
113.02457	0.3
123.00905	2.1
124.01622	1.6
125.02470	10.2
127.00346	0.5
130.04332	0.3
136.98767	0.4
137.09741	1.1
139.00388	1.1
140.01180	1.4
151.00417	1.5
151.24025	0.3
165.02036	0.4
167.03474	0.5
168.00667	6.2
169.01448	26.7
178.71935	0.3
183.03038	0.4
211.02498	46.7
212.02873	0.9
228.67268	0.3
241.03566	2.0
253.03700	0.4
261.03458	0.3
271.04608	100.0
272.04965	3.4
298.69128	0.3
331.06732	18.0
332.07202	0.5
356.77905	0.3
521.20319	16.5
522.20557	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37566	0.5
57.03444	0.6
59.01388	5.9
61.98823	1.6
67.01897	1.1
68.99815	0.6
69.03447	0.5
69.43505	4.0
71.01394	4.4
72.99329	0.7
73.02956	0.9
75.00882	0.5
79.01915	1.2
83.01396	1.2
84.58249	0.5
84.95120	1.6
85.02966	1.7
87.00871	0.6
88.98822	1.1
89.02441	1.2
93.03445	0.7
95.01393	2.2
96.96040	0.6
97.02926	0.9
101.02457	2.3
102.86309	0.5
107.01395	3.9
107.04977	0.6
109.02975	0.9
111.00892	2.2
113.02480	1.6
119.05003	0.9
121.02975	0.6
123.00908	10.5
124.01660	2.3
125.02468	19.6
127.00340	0.6
128.56686	0.5
136.98834	1.1
137.02467	1.2
139.00414	4.7
139.03951	0.7
140.01181	2.9
141.01915	1.6
145.02965	1.0
151.00389	6.6
153.01947	0.9
161.02493	0.5
163.04105	0.9
165.01895	0.6
166.02649	0.5
168.00644	5.6
169.01447	30.7
170.01817	0.7
211.02504	24.5
212.02814	1.0
237.07756	0.8
241.03484	1.1
255.05174	0.5
271.04620	32.1
272.04929	1.1
294.42053	0.5
301.00119	0.7
331.06732	1.5
359.10486	0.6
359.14691	1.2
422.73810	0.5
485.20401	1.2
503.19437	1.0
521.20325	100.0
522.20703	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.1
69.03486	0.8
70.17744	0.6
70.41064	0.6
70.48756	0.7
71.01385	3.2
71.04628	1.6
71.05024	1.3
72.99309	1.6
73.02953	2.4
73.81116	0.6
75.00880	24.3
81.03467	2.0
83.01402	0.8
85.02961	4.5
87.00883	2.6
89.02451	3.1
90.74186	0.7
96.96962	1.0
97.02917	1.0
98.19891	0.7
99.00893	2.8
99.04555	0.6
131.03514	1.9
134.69330	0.6
143.03491	5.0
161.04573	8.0
175.02533	0.9
179.05627	100.0
180.05963	2.3
186.79919	0.7
274.04166	0.8
285.83597	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1666
Annotation	Albidoside
Peak:m/z	Relative Intensity
59.01396	0.7
64.47522	0.4
71.01390	1.2
73.02975	0.6
85.02962	0.7
89.02454	0.5
93.03451	1.1
96.96015	0.7
101.02466	1.1
113.02497	0.5
117.03484	25.1
118.03795	0.7
119.05044	13.6
121.02977	1.2
122.03762	3.3
125.02451	0.4
131.05046	0.5
133.03004	0.7
135.04556	0.7
136.01654	0.5
145.02969	100.0
146.03371	2.4
149.02417	0.9
150.03236	27.3
151.03864	1.0
153.05583	0.8
161.02464	1.1
161.06136	1.1
163.04022	11.7
165.05585	42.4
166.05951	0.9
180.04207	0.6
187.04015	1.5
205.04980	0.5
207.59389	0.6
213.07605	0.9
247.06108	0.9
279.16095	0.5
307.08249	59.0
308.08618	2.3
375.53247	0.5
521.16675	30.4
522.16968	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	521.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	32.6
61.98828	14.5
68.40787	2.4
71.01384	11.1
71.57384	3.8
73.02943	3.9
85.02961	5.3
89.02488	3.1
97.80635	2.4
101.02425	8.4
102.36932	2.7
107.26003	2.7
113.02466	4.0
117.03466	20.2
119.05013	12.9
120.79034	2.7
125.02470	2.6
136.07645	4.0
145.02968	100.0
152.03566	4.2
161.04593	4.8
163.04019	20.5
169.01443	3.8
187.03964	8.5
242.90027	2.4
247.09981	3.0
311.99088	8.4
312.99756	6.0
367.90982	3.1
389.25296	3.1
438.13071	2.5
445.19821	4.6
453.10641	2.5
461.31198	7.9
489.19034	4.3
520.33746	14.1
521.30829	9.0
521.33472	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	521.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03290	0.4
57.03558	0.4
59.01181	1.5
59.01522	3.2
61.98616	0.7
61.98970	1.2
67.02012	0.4
68.05876	0.4
69.32088	3.2
71.01112	1.1
71.01539	3.4
72.99428	0.4
73.03110	1.3
83.01516	0.8
85.02579	0.7
85.03134	1.4
87.00994	0.4
89.02615	1.2
95.00987	0.4
95.01536	0.7
96.96180	0.7
99.01021	0.7
101.02653	2.7
107.00941	0.5
107.01592	1.2
108.02316	0.6
109.02474	0.5
109.03135	1.5
111.01077	1.1
111.72935	0.4
113.01953	0.5
113.02657	1.5
119.03625	0.4
119.05154	0.8
121.03072	0.7
123.01100	3.7
125.01138	0.4
125.02654	6.2
135.04665	0.9
137.02579	0.8
139.00583	1.1
140.01297	0.6
145.03062	0.7
149.02556	0.5
151.00385	3.0
153.01955	2.4
160.01825	0.6
161.04733	0.8
163.04149	0.9
165.99277	0.4
168.00842	1.1
169.01443	9.1
177.02026	0.9
179.03630	0.5
188.01306	0.6
190.72423	0.4
200.01320	1.5
211.02454	2.3
216.00635	2.7
228.00876	1.2
228.97989	1.1
242.99228	0.4
244.00192	5.0
245.00613	0.4
256.00082	0.6
256.97330	3.5
269.00891	0.5
270.98874	2.9
271.04596	2.6
271.99609	1.2
284.96793	14.5
285.03845	0.5
285.97531	3.1
286.98364	1.3
298.01099	0.5
298.98367	2.3
299.01630	0.6
299.99112	14.3
300.99924	1.5
311.04303	0.5
312.96320	18.7
312.99799	1.0
313.05795	0.8
313.96875	1.3
314.00565	0.8
314.97958	0.4
315.01215	0.8
327.98621	40.9
328.99323	6.4
329.03033	0.3
329.99728	0.4
330.05508	0.5
331.06778	0.9
341.14148	0.5
342.00201	0.5
343.00958	70.6
344.01236	3.7
357.02509	0.5
358.03299	5.1
359.03864	0.9
359.15012	1.3
359.28146	2.5
410.04947	0.6
418.53079	0.5
448.02530	0.7
463.04648	0.8
491.04724	23.7
492.05112	2.0
506.07025	19.7
507.06888	1.5
520.33191	0.6
521.08856	100.0
521.19763	25.3
521.33026	12.7
522.09698	7.1
522.20752	1.9
522.33368	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	3.4
61.98837	1.8
63.88400	0.5
71.01399	1.5
71.56608	0.8
72.99328	0.6
73.02967	0.6
78.95930	1.0
89.02467	0.6
93.03477	0.8
96.96024	2.1
96.96983	2.2
101.02438	1.1
108.02191	0.7
113.02427	0.8
123.00915	1.4
123.04542	0.6
124.01664	0.6
125.02462	3.3
136.01659	1.6
137.02391	1.6
145.02937	0.7
151.04034	2.7
152.01183	0.7
152.04358	1.2
153.01958	1.3
161.02397	0.9
163.03987	1.1
165.05702	0.6
169.00201	0.6
169.01408	3.2
195.03065	0.9
195.06532	0.7
200.01068	0.7
209.00972	0.6
211.02469	2.6
216.00658	2.0
228.00735	1.0
244.00175	3.8
255.05202	1.4
256.97308	2.5
262.14426	0.6
270.98819	2.0
271.04651	3.0
271.99799	1.3
283.99777	0.8
284.96780	15.7
285.97281	1.3
298.98373	0.9
299.99121	12.6
300.99576	1.1
312.96295	28.7
313.96924	3.2
314.00644	1.2
315.01483	0.8
327.98633	54.2
328.99265	5.9
331.06680	0.9
341.99988	1.1
343.00964	100.0
344.01468	5.5
357.02551	0.7
357.13272	0.7
358.03323	8.4
358.13635	1.5
359.03851	1.8
359.14157	1.8
458.17337	1.6
459.18704	1.6
491.04849	3.2
506.07059	24.6
507.07275	2.3
521.09369	86.6
521.20398	6.0
522.09613	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51860	0.9
59.01376	2.9
61.98844	7.7
69.29958	0.8
69.30244	2.4
69.30656	4.9
71.01398	3.1
73.02943	1.8
76.57234	0.8
79.01926	1.2
81.33086	0.8
83.28597	0.8
85.02932	1.7
85.34718	0.8
89.02459	1.4
91.80768	1.1
95.01357	1.1
97.67995	0.9
97.76357	0.8
98.19755	0.8
99.00867	1.1
101.02453	2.6
107.01439	1.6
111.00938	2.2
113.02499	1.1
123.00899	12.0
124.01695	1.7
125.02464	11.3
136.98793	1.2
139.00394	3.6
140.01152	2.8
141.02025	1.4
151.00388	10.1
153.01936	1.5
157.86362	0.9
161.02531	1.1
168.00639	4.4
169.01427	17.2
211.02495	2.4
271.04651	3.1
272.04922	2.0
273.58304	0.9
330.28983	0.8
349.33826	0.8
457.17172	100.0
458.17474	6.3
463.75110	1.0
520.25220	1.1
521.19971	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	1.7
59.01379	3.1
61.98840	8.8
70.07151	2.0
71.01393	1.6
73.02962	0.5
73.64704	0.5
81.03461	0.5
87.04501	0.7
89.02441	0.9
95.05062	0.8
101.02471	0.9
106.06685	0.5
107.03784	1.5
119.05055	2.1
122.06145	6.0
123.00933	0.7
125.02419	2.4
128.10832	7.9
130.08754	100.0
131.09077	2.1
134.06067	0.8
138.02020	0.7
142.94238	0.5
151.00374	0.5
152.03558	0.7
152.07182	13.6
153.01938	1.8
161.04456	0.6
163.04080	3.1
165.12875	1.0
169.01439	1.6
211.02492	1.2
223.12500	0.6
235.08772	0.5
236.09683	1.0
237.10309	0.6
249.10355	1.2
251.11998	2.1
263.08298	2.6
264.08987	4.0
271.04626	1.6
276.82101	0.5
278.10547	2.1
279.11401	10.0
280.11786	0.7
291.11359	2.6
292.11996	0.5
300.99817	0.6
304.19333	1.0
311.14005	0.7
313.07471	0.5
322.20248	87.3
323.10452	1.2
323.20575	4.2
444.19260	3.3
488.18298	14.7
489.18790	1.1
519.33209	1.5
520.21216	6.1
520.33765	4.7
521.20978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45173	1.6
56.83952	2.4
59.01385	100.0
61.84523	2.0
71.57124	2.7
71.57544	2.2
84.57733	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	520.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62596	0.7
55.01884	0.9
59.01390	6.8
60.87887	0.8
61.98841	7.1
71.01385	5.8
71.03870	1.8
71.04247	1.5
73.02951	2.0
74.99107	0.9
79.95737	1.5
85.02977	1.9
89.02460	5.3
95.01395	1.5
96.96021	52.2
97.95960	1.5
98.95609	4.1
98.96397	0.7
99.00904	1.9
101.01876	0.7
101.02469	5.0
107.01370	2.4
111.00951	1.4
113.02461	2.3
119.03490	1.1
119.05048	2.1
121.02927	1.0
123.00910	10.5
124.01714	1.5
125.02466	11.1
131.03479	1.2
136.98868	1.2
137.02469	1.9
138.68892	0.7
139.00403	3.1
139.04057	1.6
140.01158	1.5
141.01894	1.1
145.02977	1.2
149.04582	2.7
151.00366	7.7
151.03992	1.1
160.01674	1.0
161.02475	1.1
163.04001	1.6
166.05153	1.5
168.00650	3.3
169.01447	15.6
172.20697	0.8
175.04030	0.8
180.30203	0.8
211.02432	2.1
211.07671	1.0
233.63507	0.8
249.56326	0.8
271.04562	2.3
281.64047	0.9
313.05594	1.3
401.12790	0.8
407.99615	0.9
422.11716	3.1
457.17197	100.0
458.17584	9.1
520.15082	2.5
521.19952	1.7
521.26501	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	519.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82034	0.4
54.21176	0.5
56.81495	0.5
57.03465	2.6
59.01386	2.5
59.74875	0.5
61.98827	1.3
65.11650	0.5
71.01377	1.3
73.02953	7.1
81.27665	0.5
95.05013	0.5
98.19946	1.5
129.59599	0.5
152.03546	0.6
215.08737	0.5
286.97470	0.5
375.27084	0.8
377.28842	0.8
389.28635	1.4
392.27194	2.4
407.29562	9.0
408.29785	0.8
409.30777	0.8
419.29517	1.6
439.32101	2.6
453.30164	0.9
469.29892	1.6
485.32745	100.0
486.33081	8.6
501.32315	4.2
519.33582	8.0
520.33282	1.3
537.67676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01726	0.4
61.98833	0.8
70.79381	0.4
70.79726	0.7
73.24138	0.4
100.02091	0.4
139.97395	0.3
262.19156	0.4
277.19669	0.3
344.37308	0.4
427.32376	0.7
446.96716	0.4
459.35181	2.0
483.31335	1.1
483.86688	0.4
519.33630	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3695
Annotation	Hippuristerol F
Peak:m/z	Relative Intensity
56.65886	0.5
59.01387	100.0
67.14796	0.5
69.67671	0.6
70.97289	1.0
78.95918	1.2
85.21418	0.5
88.17176	0.6
92.48736	0.6
98.62621	0.6
125.09754	0.9
152.99644	1.9
180.55743	0.6
253.55989	0.6
409.86020	0.8
439.32034	2.8
459.34848	39.2
460.35278	2.2
483.30954	0.7
519.33820	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	519.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.48488	2.1
63.25431	2.2
64.89569	2.3
67.58840	2.2
71.56860	2.0
81.70483	2.4
87.62360	2.4
101.68542	2.0
111.03593	2.2
122.16978	2.3
245.86288	2.2
310.21860	2.6
352.12305	2.8
352.46579	2.2
384.38477	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3337
Annotation	20-Hydroxyecdysone-20,22-monoacetonide
Peak:m/z	Relative Intensity
51.20613	0.6
51.73197	0.6
53.10618	0.6
53.34896	0.6
57.03446	1.9
59.01386	11.1
61.98846	5.8
62.74887	0.6
71.01385	5.7
71.57089	1.0
73.02950	1.6
83.44408	0.7
85.02954	2.5
87.04533	1.7
89.02440	1.4
94.03815	0.6
101.02447	2.7
107.05074	0.7
108.03125	0.8
113.02470	1.9
113.06042	0.6
119.05096	0.7
121.06541	0.8
122.06165	1.0
125.02474	1.7
137.02464	0.8
145.02977	2.1
147.04532	1.0
149.09727	1.3
151.07567	0.7
152.07185	2.7
161.04495	2.1
169.01463	2.4
175.89308	0.7
193.15862	1.0
251.96466	0.8
253.19739	1.2
267.15994	1.5
301.30261	0.7
307.24350	2.1
337.25555	0.8
357.26462	1.6
365.28537	1.8
391.60828	0.8
405.27859	1.9
407.29575	1.2
423.28915	1.9
455.32092	0.9
469.29590	5.2
470.29779	0.9
473.31723	1.3
501.32275	100.0
502.32648	9.1
519.21161	3.9
519.32819	27.1
520.33240	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.6
59.01376	1.7
66.04709	0.4
69.30206	3.4
71.01392	0.7
73.02948	7.3
83.05006	0.4
109.06551	0.5
255.38992	0.5
262.13995	0.4
339.18747	0.4
341.21970	0.4
345.26111	0.4
377.28458	0.5
389.28848	0.9
391.30527	0.7
392.27380	2.1
393.27667	0.6
407.29568	9.0
409.31195	1.2
419.29477	1.6
420.29218	0.5
425.30530	1.5
437.30814	0.9
439.32175	1.6
455.27344	0.7
457.33417	1.3
469.29730	2.5
485.32764	100.0
486.33142	9.0
501.32120	2.9
519.33429	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	519.2446
Annotation	Ebracteatoside A
Peak:m/z	Relative Intensity
50.54741	0.4
55.01886	1.5
57.03461	2.2
58.00604	2.1
59.01384	29.5
69.03451	1.1
71.01389	37.0
71.56335	0.9
72.99320	2.5
73.02949	9.8
75.00881	0.9
83.01398	3.6
83.05026	0.5
85.02963	9.4
87.00877	1.5
89.02454	27.6
95.01406	1.9
97.02959	1.7
99.00887	8.4
99.04541	0.5
101.02455	25.4
111.00893	1.3
113.02466	12.1
115.00407	0.7
115.04037	1.4
119.03511	7.0
123.08206	0.8
125.02471	3.6
129.01913	0.6
131.03522	4.1
143.03500	2.6
149.04570	4.7
159.02998	1.5
159.71471	0.4
161.04544	4.4
169.01454	0.9
174.05666	0.5
179.05647	2.2
191.05602	2.7
195.13983	2.3
203.05869	0.7
223.99710	0.6
225.14989	4.6
233.06676	1.9
293.08838	1.4
339.01227	0.6
343.12842	0.7
387.20251	24.3
388.20776	1.8
403.15710	0.8
428.58566	0.4
453.97446	0.4
457.17035	0.7
519.24548	100.0
520.25037	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	519.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50662	0.5
58.63835	0.4
59.01391	5.5
61.98831	2.7
67.01894	1.3
71.01383	4.1
71.08722	0.9
72.99300	0.6
73.02943	0.8
77.85240	0.6
79.01902	2.1
83.01418	1.2
83.05036	1.9
85.02951	1.6
87.00887	0.8
89.02453	1.3
89.04990	0.6
95.01388	3.1
96.82710	0.5
97.02944	1.2
101.02423	1.8
107.01408	4.6
107.05038	1.2
111.00866	2.6
113.02479	1.7
117.50634	0.6
119.04994	0.6
121.02967	31.0
122.03316	0.6
123.00896	18.3
124.01742	1.3
125.02461	21.1
127.00349	1.1
129.01898	0.5
135.04562	0.9
136.98811	2.4
137.02475	0.8
139.00385	7.9
140.01161	3.6
141.01924	1.9
147.08154	0.8
151.00381	9.6
153.01909	0.9
161.04536	0.7
162.51468	0.6
163.07600	0.6
165.01900	0.7
166.99879	3.1
167.03601	0.6
168.00641	4.8
169.01433	27.0
170.01801	0.6
171.06648	0.7
173.06049	0.8
173.19571	0.5
177.04100	1.8
179.03514	0.8
188.27869	0.5
189.05496	1.0
191.07198	1.9
210.01677	0.6
211.02473	1.9
214.30273	0.5
217.05084	1.2
235.06096	4.7
271.04590	1.4
276.65863	0.5
277.07236	4.0
297.06259	0.7
307.08191	0.7
313.05719	1.6
322.20074	0.6
331.95670	0.6
337.09338	9.9
353.98758	0.6
357.13425	1.1
360.71255	0.6
397.11398	29.9
398.11591	1.0
433.26724	0.5
518.31342	0.6
519.15088	100.0
519.30725	2.7
520.15430	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	519.1513
Annotation	Lethedoside B
Peak:m/z	Relative Intensity
59.01388	2.9
61.98820	1.7
66.66514	0.5
67.01907	0.6
71.01380	1.5
71.57001	0.6
72.99314	0.5
76.57553	0.4
77.80725	0.5
79.95745	0.5
83.01393	1.8
85.02978	0.6
89.02446	1.3
93.03468	6.4
96.96030	1.2
101.02509	0.9
107.05039	0.6
108.02209	2.4
109.02961	59.2
110.03268	0.6
113.02442	0.8
117.03480	5.5
119.05038	4.2
121.02961	5.7
122.03741	8.0
123.00939	0.7
123.04545	8.8
124.01687	1.0
125.02450	1.4
130.04236	1.3
131.05057	6.1
133.02943	0.8
133.06610	4.3
135.04538	2.5
137.02477	3.2
139.04033	7.1
143.05054	5.5
144.84480	0.5
145.02974	15.9
145.04141	0.8
146.03633	1.6
147.04549	3.7
148.01451	0.5
148.05270	1.0
149.02451	13.5
151.04004	0.6
154.02718	1.0
155.10776	1.0
159.04510	6.1
161.02470	1.0
161.06073	5.5
163.04031	3.8
163.07661	6.7
168.00655	0.8
169.01416	2.1
171.04527	2.7
173.06094	0.8
174.03226	0.5
174.11922	0.5
175.03996	1.1
179.03578	0.9
181.05064	3.0
183.01234	1.1
187.03984	2.7
189.05608	5.1
191.03513	2.1
196.07399	1.9
197.02837	2.3
198.03456	0.6
206.49136	0.5
211.02499	0.9
211.07863	0.6
211.09785	1.2
225.11369	0.6
251.07133	1.7
253.08739	17.0
254.09363	0.9
279.06693	0.8
281.08380	1.3
283.06494	0.6
283.09760	17.0
307.08286	6.8
309.07727	4.1
311.09207	0.6
313.10944	1.2
339.08713	4.4
357.09802	100.0
358.10162	5.5
375.10870	0.6
464.13260	0.5
519.15491	3.7
519.22528	4.3
519.32874	1.5
544.61346	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93398	0.3
59.01374	0.7
59.36208	0.2
71.01389	0.7
77.10101	0.3
79.95744	2.7
87.00869	0.3
89.02504	0.3
96.17239	0.3
96.96021	100.0
98.20692	0.4
101.02467	0.3
110.69452	0.3
113.02496	0.3
122.02094	0.3
123.00893	1.2
125.02447	1.4
139.00357	0.4
151.00375	1.4
169.01382	1.7
195.14290	0.3
268.33633	0.3
285.04022	0.5
315.88968	0.3
412.81772	0.3
421.11407	7.9
422.11810	0.6
433.15039	0.3
457.17093	1.4
479.58130	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1511
Annotation	Lethedoside B
Peak:m/z	Relative Intensity
57.03441	0.6
59.01374	3.1
61.75448	0.5
61.98832	2.2
69.72182	2.3
71.01384	1.8
73.02915	0.7
85.02958	1.7
85.09431	0.5
87.00879	0.7
89.02451	1.0
93.03473	5.8
96.96057	0.7
97.02975	0.5
101.02466	1.1
107.05019	0.9
108.02174	2.4
109.02964	57.5
113.02496	0.9
117.03488	5.3
119.05041	3.1
121.02267	0.7
121.02984	5.9
122.03779	6.5
123.00890	1.1
123.04545	8.9
124.01685	0.7
125.02447	1.3
127.82399	0.5
130.04253	1.6
131.05045	7.8
133.03029	1.2
133.06601	3.7
135.04567	3.2
136.04901	0.7
137.02480	5.2
139.04027	7.1
143.05031	5.4
145.02971	15.0
146.03723	1.5
147.04547	4.3
148.05302	1.2
149.02470	13.2
151.00264	0.6
151.03967	0.7
154.02750	1.5
155.10765	1.0
158.03671	0.5
159.04543	5.7
160.05350	0.8
161.02501	1.0
161.06071	5.6
163.03998	2.2
163.07672	5.4
169.01430	1.4
169.64305	0.5
171.04549	2.8
174.03253	1.1
175.03931	0.7
176.05107	0.5
181.05058	2.3
183.01195	0.6
187.03996	2.1
189.05586	5.0
191.03468	1.3
196.07439	1.5
197.02727	2.7
211.02391	0.7
211.09816	1.3
225.11304	1.7
234.91704	0.5
237.05789	0.6
251.07185	2.0
252.07988	0.7
253.08716	18.4
255.75145	0.5
271.04587	0.9
279.06467	0.6
281.08221	1.5
283.09778	15.5
284.10187	0.8
295.09601	0.7
307.08237	5.5
309.07684	4.3
311.09381	0.9
313.10831	1.6
339.08722	3.9
350.30972	0.5
353.96854	0.6
357.09821	100.0
358.10135	6.6
375.10931	0.7
454.72110	0.5
456.80569	0.5
461.75095	0.5
483.18872	0.6
518.32697	0.7
519.15344	3.4
519.22272	7.5
519.31775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78727	4.2
59.04370	5.4
69.46694	34.7
78.97288	4.5
92.64182	4.7
107.01402	5.1
123.00787	4.9
125.02455	46.4
160.04053	12.4
168.00606	6.7
169.01448	78.3
181.01364	5.4
211.02489	21.2
271.04626	11.2
312.74350	4.9
347.06824	4.9
423.05692	10.8
483.07819	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.0
61.98842	4.6
70.08073	2.6
71.01393	6.8
72.99294	0.6
73.02901	1.0
73.68199	0.6
75.00837	0.7
78.95875	0.7
79.95697	0.8
83.01365	1.3
85.02908	2.1
85.37862	0.9
87.00837	1.0
89.02460	3.2
90.31625	0.6
93.03428	0.9
96.96010	3.4
96.96915	1.5
97.02917	0.8
99.00851	1.0
101.02483	3.2
107.04993	1.5
108.02100	0.8
109.02931	1.4
111.00856	1.4
113.02474	3.3
117.03461	1.3
119.03457	0.9
119.04996	2.0
119.22379	0.7
121.02926	1.6
123.00877	1.7
123.04549	3.4
124.35368	0.6
125.02458	4.2
133.02959	3.5
134.03737	0.9
135.04488	0.8
137.02431	1.6
137.06033	2.7
139.00262	0.7
139.04053	6.1
141.09218	0.8
145.02956	3.7
147.04463	2.0
149.06015	1.1
149.09731	0.7
151.00333	2.2
151.03998	3.4
152.04756	0.7
152.08263	0.7
153.09169	1.1
160.01656	3.9
161.02374	2.0
161.04572	1.3
161.06024	2.3
163.03979	1.8
165.05557	0.7
165.09160	2.0
166.02733	1.0
166.06372	1.0
168.00612	1.2
169.01442	5.4
170.81418	0.6
171.00659	0.8
175.04021	5.3
181.05083	6.0
183.01271	1.1
183.02960	2.5
189.05504	1.2
193.05060	1.1
197.02841	4.9
198.03358	1.0
199.00336	1.5
199.31691	0.6
205.01335	1.3
205.12369	1.6
209.02394	3.1
211.02437	2.2
214.99905	1.4
223.04456	0.8
226.99757	1.7
230.02515	1.0
236.24571	0.8
242.99274	1.4
254.99332	2.7
263.05685	3.5
270.98807	2.5
271.04565	4.1
281.00986	6.2
285.03955	4.1
293.08896	0.9
298.98380	20.0
299.01828	1.2
299.98816	1.1
301.00024	1.7
309.08560	0.8
312.99899	1.8
324.99875	2.1
326.97827	100.0
327.98343	9.1
337.09311	4.3
339.16205	1.1
340.99521	3.4
342.00189	28.3
343.00739	6.8
343.10297	2.3
357.02536	98.4
357.09799	3.1
358.02872	4.3
368.99042	1.1
371.04187	2.2
385.18744	0.9
399.03583	4.1
457.33649	1.2
475.12634	1.3
483.18573	1.1
519.11646	1.0
519.22687	17.2
519.33203	6.8
520.22949	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01370	4.7
78.95882	4.3
88.98827	3.8
96.96010	4.2
97.84161	4.7
98.19778	8.6
125.02454	40.0
160.04080	20.5
161.04387	12.7
168.00603	9.7
169.01434	73.2
193.01462	5.2
211.02464	25.6
262.24258	4.0
271.04565	21.7
307.67636	4.3
313.05746	6.1
423.05542	8.2
475.10944	7.1
483.07849	100.0
484.08066	6.0
519.09570	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	518.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26081	0.3
50.35428	0.3
59.01391	2.9
59.62398	0.4
60.01812	0.4
61.98839	100.0
62.02924	0.3
63.15009	0.3
65.73002	0.4
66.62702	0.4
69.34048	1.4
69.34470	1.6
78.61969	0.4
107.73567	0.4
172.03792	0.5
205.16139	0.4
267.16074	0.6
293.21466	0.7
470.29938	0.5
518.31946	2.2
519.33368	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	519.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27305	2.2
51.68282	2.4
71.33325	4.9
71.33701	2.6
87.64394	2.2
88.54558	2.2
89.02422	2.6
90.95219	2.3
99.00894	8.3
107.01371	6.1
109.02942	5.0
122.73767	2.4
123.00887	4.4
125.02459	78.9
137.02457	9.6
139.00345	2.7
158.86221	2.5
168.00525	3.1
169.01434	100.0
177.01851	5.2
182.07306	2.3
184.52992	2.7
191.03499	24.3
193.05016	5.6
209.00937	3.4
211.02480	6.7
219.03011	20.8
234.69467	2.6
237.04042	24.2
263.02054	6.0
271.04620	3.1
281.03098	17.7
323.03976	8.2
331.06631	6.4
383.06116	9.1
443.08286	22.6
444.08994	3.2
483.01099	5.5
483.07870	90.1
484.07755	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	519.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82849	2.2
64.95421	2.0
67.92268	2.1
69.33761	19.0
71.01389	2.4
77.13663	2.5
98.19886	5.1
99.00877	6.8
107.01372	3.9
109.02950	5.3
113.02501	2.7
116.25235	2.0
123.00907	2.7
125.02464	76.7
137.02481	13.7
151.00337	2.2
160.04045	2.5
161.04391	2.8
169.01450	100.0
170.01837	3.6
175.03981	4.0
177.01958	3.8
191.03526	26.2
193.05135	3.0
195.36729	2.5
205.01526	2.6
209.01050	2.6
211.02486	6.3
219.03000	16.5
221.00883	5.1
237.04030	19.7
263.01907	4.5
271.04706	3.9
281.03040	13.6
283.05072	2.2
297.44205	2.4
307.01083	2.6
323.04163	8.4
331.06708	8.7
351.23199	2.4
383.06198	11.1
396.93109	2.3
443.08441	21.4
483.07852	82.6
484.08218	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	518.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	12.9
71.01384	6.9
73.02972	1.8
79.84704	1.7
85.02982	2.7
89.02461	5.1
95.01339	1.8
99.00901	3.0
99.97923	1.9
100.04047	14.3
101.02457	4.2
107.01417	2.8
109.02995	2.2
113.02479	5.3
119.03547	2.4
123.00888	13.0
125.02452	16.2
137.02408	3.8
139.00397	5.3
141.01923	2.3
142.05130	10.6
151.00407	13.5
160.04034	8.4
168.00647	3.4
169.01424	44.2
177.01808	2.6
179.07181	2.1
191.03502	10.4
193.05040	1.9
202.44554	1.9
209.83951	2.1
211.02531	14.2
219.02971	7.2
237.03900	8.6
257.99625	2.1
271.04578	6.9
281.03033	5.2
323.04099	2.1
331.06711	100.0
332.07114	3.9
356.96262	1.9
383.06219	6.1
443.08249	7.5
518.09393	2.6
537.24078	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	517.39
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41200	1.6
59.01386	100.0
61.98831	1.8
69.25967	11.6
69.26385	3.4
74.46790	1.3
74.77536	1.4
129.22200	1.4
156.29836	1.5
225.70782	1.7
457.33197	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	517.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.71982	0.7
62.41769	0.8
70.13729	0.7
71.05049	1.0
71.56376	1.2
91.07307	0.7
275.77567	0.9
457.33417	1.0
473.32559	1.3
489.32422	1.9
516.51910	0.8
517.31354	10.0
518.32086	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
60.55158	0.3
62.82456	0.4
66.48566	0.4
71.01405	1.5
85.02952	0.4
98.20683	0.8
104.97711	0.3
107.01393	2.0
111.00897	0.7
112.76665	0.4
116.05058	2.1
117.19210	0.4
123.00928	1.9
125.02461	13.8
139.00333	0.5
140.01189	0.4
151.00362	2.0
160.04056	100.0
161.04419	2.6
167.03534	0.4
168.00711	0.9
169.01442	19.6
174.05580	0.4
204.02942	2.5
241.03491	0.6
253.03578	0.4
313.05670	18.6
314.05978	0.6
322.03436	0.4
322.09384	1.3
366.08301	17.8
367.08499	0.7
383.17136	0.4
439.82278	0.5
474.10440	16.1
475.10788	0.9
518.09436	20.7
519.09930	1.4
532.76031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
70.34066	1.7
70.34462	1.4
73.02969	0.8
98.20547	1.1
99.71990	0.8
101.06187	0.9
177.11407	0.8
178.07446	0.8
180.53813	0.8
195.10663	0.9
295.22772	1.0
343.51587	0.8
425.30838	1.5
427.32401	1.3
437.30264	0.9
443.31674	2.4
447.12619	1.0
455.31323	1.2
457.33517	5.6
473.32687	4.0
476.30801	0.9
489.32251	15.8
490.32080	1.3
499.30948	1.3
517.30750	10.1
518.32129	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.01739	0.5
61.98820	0.4
62.29202	0.4
69.52773	2.4
75.20871	0.4
75.66859	0.3
77.03388	0.3
83.77748	0.4
132.56471	0.3
227.33662	0.5
409.31241	5.3
410.31885	0.5
427.32568	0.6
443.31934	0.5
455.31805	0.5
489.32248	3.6
490.32736	0.4
503.26614	0.4
517.32330	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	517.3174
Annotation	Jaligonic acid
Peak:m/z	Relative Intensity
57.03443	1.6
57.87051	0.5
59.01157	0.6
59.01389	6.2
61.98834	0.6
64.11134	0.6
64.81293	0.5
71.57126	0.7
71.93649	0.6
73.02948	1.4
80.70515	0.5
87.04491	0.7
125.02603	0.6
156.79187	0.6
169.24310	0.5
175.11162	0.6
389.28210	0.7
395.29355	0.9
397.31067	0.8
399.32751	1.1
407.29431	2.0
409.27411	4.9
409.31558	0.5
411.32690	1.6
423.29068	17.3
424.29498	1.2
425.30643	12.7
426.30896	1.3
427.32306	0.8
439.32565	0.6
441.30276	0.8
443.31674	11.2
444.31894	1.4
455.31735	8.4
457.29520	2.6
469.29572	2.7
471.30887	1.6
473.32632	6.0
485.32788	13.8
486.32822	1.2
487.30716	30.7
488.31003	2.3
499.30713	2.2
517.31677	100.0
518.31952	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	517.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	2.7
57.53718	0.2
59.01389	1.1
61.98836	0.3
64.45274	0.2
71.01384	1.1
71.13700	0.5
73.02953	9.4
83.28718	0.2
87.04515	0.2
94.49459	0.2
99.69879	0.2
109.06595	0.3
122.34625	0.2
139.07654	0.4
153.09256	0.4
156.48050	0.2
192.77148	0.2
205.12460	0.2
307.24295	0.6
363.26917	0.2
367.26584	0.2
375.27139	0.4
377.28473	0.9
389.28699	1.5
390.28488	0.2
391.26068	0.4
391.30551	0.4
392.27151	3.0
393.27817	0.4
404.26999	0.2
407.29587	12.2
408.29764	1.1
409.31308	0.4
417.27652	0.3
419.29453	1.0
429.33716	0.3
437.30438	0.3
439.32248	2.1
440.32358	0.3
453.30127	1.2
455.27640	0.4
469.28326	0.2
473.32770	0.5
483.31238	0.5
485.32758	100.0
486.33115	9.6
507.79300	0.2
509.01227	0.2
517.32526	2.8
517.35095	3.3
518.31860	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3175
Annotation	Ganolucidic acid C
Peak:m/z	Relative Intensity
50.62174	2.9
53.44512	2.4
59.01384	100.0
61.98821	10.9
62.05439	2.6
65.65130	2.9
66.85957	2.8
69.03454	3.2
71.56911	4.3
76.02376	2.5
78.95905	3.1
83.03435	2.8
92.14925	3.1
97.02972	19.1
123.08121	3.7
123.52928	2.6
137.00221	2.6
332.47296	3.2
365.28583	16.6
366.28882	2.7
383.29477	13.2
393.31586	38.4
394.32028	3.5
427.28235	16.4
437.30679	33.0
455.31580	15.9
469.29932	5.5
473.32996	5.0
481.29660	77.1
482.29541	4.9
499.30701	23.0
500.31323	3.0
517.31702	45.4
518.32159	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	517.3179
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20155	0.8
56.64176	0.7
59.01389	7.3
61.98832	6.3
67.51092	0.7
71.01383	3.3
71.14030	1.1
72.99293	1.2
73.02934	1.3
83.05028	0.9
83.35715	0.8
85.02967	1.6
87.04537	0.9
89.02422	1.1
99.00875	1.5
101.02454	2.0
112.93622	0.8
113.71383	0.8
117.03514	1.2
122.81646	0.9
125.02473	1.1
134.97266	0.8
137.02370	0.8
145.02953	2.9
147.04506	1.7
157.22511	0.9
160.04054	28.7
161.04427	13.3
169.01366	2.1
204.03142	0.8
205.12752	0.8
273.03506	0.9
293.08759	0.9
300.99579	0.8
319.18631	0.9
381.27777	1.0
423.29141	3.1
441.26334	3.8
457.28418	1.2
471.31189	47.9
472.31570	4.7
473.32971	9.6
499.30670	0.9
517.18964	4.8
517.31763	100.0
518.32220	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	517.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.9
57.03437	2.0
58.00599	2.2
59.01385	72.1
65.44351	0.8
67.01915	0.8
67.44489	0.8
69.03461	2.2
69.23973	8.1
71.01388	70.1
72.01712	1.2
72.99313	3.7
73.02956	22.4
75.00876	1.6
81.03455	2.2
83.01411	3.2
83.05061	0.8
85.02960	8.9
87.00887	2.4
89.02454	100.0
90.02769	1.2
95.01416	2.4
96.96036	2.9
97.02964	6.7
99.00888	38.6
101.02450	30.2
109.06611	1.3
112.31738	0.9
112.86373	0.9
113.02446	12.5
113.06152	0.8
115.04034	4.2
119.03503	4.4
123.00896	0.8
123.08182	1.0
125.02457	22.9
127.03987	1.1
131.03516	20.3
131.05046	0.9
136.05295	1.9
138.06895	9.0
139.00414	1.0
139.07686	2.7
143.03500	3.1
149.04568	43.6
150.04877	1.2
151.07686	5.8
152.08440	24.3
153.09233	27.2
161.04604	7.1
163.11310	5.1
164.88834	0.8
166.50275	0.8
169.01443	3.4
174.40059	0.8
174.96112	0.8
175.06233	0.8
179.05670	1.0
189.09131	0.9
190.10048	2.3
191.05634	14.6
205.12341	50.8
206.12767	1.4
211.02458	0.8
223.13385	4.2
233.06670	21.6
233.10300	1.2
251.07729	2.8
259.99533	0.9
278.67679	0.8
293.08786	19.7
300.99997	1.2
365.14462	1.6
385.18512	4.7
473.16776	3.3
517.22986	88.3
518.23499	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	517.2443
Annotation	Chlorodesmin
Peak:m/z	Relative Intensity
55.01864	0.3
57.03439	0.4
59.01384	8.7
61.98814	0.8
69.24329	0.6
69.24726	2.7
71.01385	2.8
73.02921	0.7
83.01394	0.5
85.02946	1.3
87.00883	0.4
89.02438	0.7
89.03974	0.4
95.01385	0.3
99.00877	0.5
101.02445	1.6
112.89510	0.3
113.02429	0.9
115.05522	0.3
117.03479	29.4
118.03747	0.4
119.05038	9.6
125.02451	0.5
131.05048	0.7
145.02966	100.0
146.03291	2.6
147.04539	8.8
156.38748	0.3
161.06087	3.3
162.89082	0.3
163.04025	11.7
163.11320	0.7
169.01469	0.4
185.57507	0.3
189.05569	0.6
207.10298	2.0
323.40350	0.3
364.98883	0.3
369.15735	1.5
404.72406	0.3
454.33405	0.3
517.24884	54.8
518.25415	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	517.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33989	11.0
59.01388	61.8
59.89472	10.1
61.91069	8.9
61.98838	51.9
71.01382	42.4
71.56889	11.3
72.10358	8.5
78.91923	14.2
85.02946	18.7
88.07503	8.9
89.02454	27.0
101.02436	28.4
113.02476	19.3
117.03503	9.6
117.47173	9.1
119.05009	23.6
123.00879	14.9
127.03936	10.4
130.65614	8.9
145.02959	41.5
146.03152	10.5
160.01631	13.5
161.04594	15.2
163.03987	25.2
169.01411	16.6
175.03998	17.2
179.05606	10.8
197.02890	45.5
285.03998	19.4
355.15921	100.0
376.58777	10.6
517.21869	38.6
517.26410	44.4
517.31543	47.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01868	0.4
57.03452	0.4
59.01384	23.8
61.98832	1.3
65.88564	0.3
70.68959	0.4
71.01394	4.8
71.42876	0.3
73.02946	1.5
77.26325	0.3
77.89368	0.3
85.02952	2.1
87.00865	1.1
89.02460	1.2
99.00900	0.8
101.02441	3.6
113.02468	1.6
117.03477	29.9
118.03769	0.7
119.05037	10.2
121.02950	0.5
131.05029	1.0
133.06657	0.6
145.02968	100.0
146.03334	2.9
147.04535	26.9
149.04549	0.4
161.04745	0.5
161.06096	10.1
163.04024	10.2
163.11310	2.3
189.05574	1.9
196.83633	0.4
207.10277	6.9
209.28130	0.4
217.95407	0.4
369.15576	5.2
473.32663	0.7
517.24164	42.5
518.24609	3.9
543.50690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17418	1.2
57.34740	1.2
59.01388	11.0
60.03021	1.1
61.98857	2.5
69.29160	10.0
71.01389	8.9
73.02945	2.4
78.95910	1.3
85.02950	1.9
86.08387	1.4
89.02467	10.5
96.95997	2.1
99.00914	1.2
101.02457	3.7
107.01375	1.5
107.05010	1.1
113.02422	2.4
117.03480	11.6
118.66632	1.0
119.05051	9.1
123.00919	2.5
125.02463	14.5
131.03542	1.6
134.03720	6.5
135.04546	95.9
136.04829	2.8
137.02380	1.5
139.00346	1.3
145.02975	43.9
145.04132	2.3
148.05298	4.8
151.00369	1.6
158.03746	4.8
159.04520	2.3
160.01682	4.5
161.02431	4.6
161.04602	1.7
163.04018	7.4
168.00674	2.4
169.01448	12.6
175.04021	5.7
176.04767	2.6
179.03516	100.0
179.10800	2.5
180.03952	1.3
191.05736	1.3
193.04944	2.6
193.98589	2.1
194.05859	7.4
194.30104	1.0
202.02724	8.9
209.08252	6.8
221.11861	1.7
233.06656	2.8
271.04617	1.6
293.08871	9.8
307.08258	28.2
308.08688	2.4
313.05777	3.0
337.09262	7.8
338.43933	1.4
339.80341	1.1
341.08774	3.7
385.15594	1.5
435.79977	1.2
473.10605	22.8
492.48871	1.3
495.30191	1.5
517.09937	8.0
517.17157	6.2
517.23871	1.7
517.30750	1.6
518.10370	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26554	0.4
59.01397	0.5
61.37617	0.4
71.01379	2.1
72.78116	0.4
73.02949	0.4
85.02948	0.7
92.75616	0.4
93.03464	0.8
97.04813	0.4
98.19894	1.2
101.02469	1.3
105.03461	0.5
113.02453	0.8
117.03482	27.9
118.03840	0.5
119.05044	15.4
121.02994	1.0
137.02470	0.6
142.40956	0.4
145.02968	100.0
146.03314	2.9
147.04536	0.6
151.04013	1.9
159.04570	0.8
161.02458	9.4
161.06133	1.4
163.04033	11.2
163.05409	0.6
165.05580	0.4
176.04803	6.1
177.05544	0.4
179.03516	18.4
180.04196	0.8
181.01389	0.6
187.04033	1.4
191.07228	1.9
194.05875	18.2
195.06442	1.1
205.05040	1.0
207.08820	0.4
209.08224	17.2
210.08443	0.5
221.06273	0.5
247.06152	1.2
267.06589	0.5
307.08258	62.5
308.08676	2.5
320.19479	0.4
353.51230	0.4
399.89648	0.4
473.11148	1.1
503.13980	0.4
517.17133	15.1
518.17267	1.5
533.68219	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15384	0.2
55.01889	0.9
55.67177	0.2
59.01377	1.0
61.98830	1.3
69.50085	0.2
71.01385	0.8
71.58074	0.2
76.12003	0.2
81.03446	0.3
83.00916	0.4
83.01397	4.6
91.01881	0.2
93.03472	0.8
97.53921	0.2
105.03505	0.2
108.02168	0.4
109.02974	1.1
113.02465	0.2
119.05055	0.7
121.02153	0.4
121.02972	4.7
123.04514	0.2
125.02383	0.2
130.04254	0.3
131.05048	1.4
132.05798	0.6
133.02989	0.5
133.06599	2.2
134.03809	0.2
134.06902	0.2
135.04494	1.0
136.01649	0.9
137.02461	100.0
138.02773	1.8
143.05060	2.2
145.02971	0.5
146.03754	2.2
147.04538	0.7
149.02367	0.2
158.03777	0.3
159.03209	0.4
159.04530	7.3
160.05316	8.3
161.02467	1.7
161.06097	18.2
162.06461	0.4
163.04030	0.5
164.04761	0.3
171.04509	0.8
175.04057	0.7
176.04810	1.8
188.04866	0.2
189.05585	11.9
190.05948	0.4
204.04254	0.2
205.05083	5.6
209.04605	0.2
225.11215	0.2
233.04576	4.0
264.07883	0.3
265.08301	0.2
281.08313	1.0
283.09839	0.2
293.08151	0.9
311.09305	3.0
355.08249	77.5
356.08609	4.3
517.13574	3.1
517.21820	0.4
517.31549	0.5
518.84088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75884	0.6
54.97874	0.8
55.01883	2.5
57.03459	3.9
59.01385	14.5
67.01900	2.3
69.03462	5.2
69.71165	2.5
69.71571	1.2
71.01389	25.3
72.99318	46.4
73.02956	52.8
75.00866	1.8
78.95892	0.8
83.01411	4.4
83.24464	0.7
85.02964	44.0
87.00893	5.1
87.54803	0.7
89.02480	3.3
89.02968	0.6
95.01403	10.1
95.26680	0.6
96.99330	1.2
97.02943	0.8
98.20628	1.4
99.00890	10.0
101.02457	20.4
103.04053	3.5
111.00896	1.1
113.02464	80.2
114.02785	1.6
115.00394	9.6
119.03519	2.0
129.01949	15.9
131.03519	50.1
147.04558	1.0
157.01445	19.0
161.04539	1.4
175.02498	100.0
176.02831	1.3
176.04335	1.3
179.05640	1.8
203.03522	2.6
204.03734	0.9
205.03984	1.1
221.04672	1.0
228.23367	0.8
247.02470	3.9
248.02846	1.2
249.02977	1.9
259.41257	0.7
284.19293	0.7
287.05869	0.6
293.08817	0.8
337.07675	1.4
438.80338	0.7
456.80896	1.5
457.11765	2.3
517.14124	33.3
518.14575	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	517.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29323	0.7
57.03464	1.0
59.01150	0.9
59.01392	9.8
59.56522	0.8
60.99317	0.9
61.98836	10.6
64.64764	0.7
71.01382	7.8
72.99284	0.8
73.02946	3.1
75.56209	0.7
79.95781	1.3
80.96618	0.8
83.01396	1.1
85.02953	3.6
88.98833	4.2
89.02456	3.6
93.03464	16.5
95.01363	1.1
96.96024	13.5
97.02937	1.2
98.95596	12.3
98.96396	2.1
99.00917	1.5
101.02443	5.4
101.06072	0.9
106.15020	0.8
109.02955	8.2
111.00903	1.3
111.04495	1.5
113.02448	2.8
117.03488	5.7
119.03493	0.7
119.05013	1.2
121.02972	16.4
123.00900	1.3
123.04544	1.6
125.02453	5.2
127.03987	1.1
133.02943	3.5
134.03770	4.4
135.04556	5.2
137.02458	12.2
138.01955	1.4
139.00342	1.1
141.09253	7.2
145.02994	4.3
149.02496	1.6
153.05569	2.5
161.02534	4.5
161.04539	2.9
163.04015	1.9
166.05101	3.2
167.05463	0.8
169.01396	5.3
170.36670	0.9
179.03525	1.1
180.00658	1.5
181.01445	23.6
181.12540	1.1
182.01712	1.2
192.96404	1.0
197.02719	2.0
197.06067	1.0
209.06126	2.5
210.03998	1.0
211.07744	1.4
223.07602	1.3
224.04742	1.4
225.05620	1.5
226.06384	2.2
229.33841	1.1
233.70567	0.8
237.05551	3.5
239.07256	1.3
251.03479	0.9
253.05058	5.1
254.05855	4.7
255.06596	2.2
265.04959	1.1
267.06555	2.8
281.04617	4.6
282.05353	2.5
283.06155	27.9
284.06558	0.9
285.03888	1.4
298.04926	5.6
300.99927	1.8
309.04034	1.3
311.02469	1.4
311.05658	11.5
312.05930	1.0
313.05728	1.4
314.06171	1.0
321.09955	0.9
325.03558	16.0
326.04196	1.2
327.05106	25.2
328.05554	1.5
354.03778	2.6
355.04614	62.7
355.21271	2.0
356.04849	2.8
387.27530	2.6
464.60669	0.8
473.10904	3.2
481.11765	1.9
499.32950	1.6
516.20642	1.1
517.09882	100.0
517.20886	6.2
517.32477	4.3
518.10327	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	516.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.4
59.01394	1.8
61.13660	0.3
61.98836	100.0
70.56316	0.6
70.56724	0.6
71.01351	0.4
73.02962	1.0
81.37886	0.3
82.25599	0.3
92.40526	0.3
96.96015	0.4
135.58124	0.3
168.46555	0.3
294.20367	0.4
355.15582	0.4
407.29733	1.4
453.30313	0.5
455.32278	0.5
469.29413	0.7
473.32666	0.5
485.25482	0.7
485.32703	13.4
499.31357	0.4
516.30518	1.8
517.31287	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	517.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.9
71.56552	1.0
78.04988	0.6
78.95908	0.7
93.03473	1.1
96.96021	14.5
96.96954	0.8
101.02440	0.7
109.02979	1.4
111.00902	1.2
113.88960	0.7
119.90507	0.7
123.00934	0.9
124.01702	2.4
125.02491	3.7
131.14572	0.8
137.02478	3.4
138.03244	40.7
139.00383	0.8
139.89372	0.6
149.02434	0.8
150.03235	3.3
151.00407	1.2
151.04041	1.8
151.07660	3.4
152.01172	1.9
153.01973	1.2
159.04485	0.6
160.04045	6.9
161.06177	1.3
163.04015	1.2
164.04759	3.0
168.00676	0.8
169.01453	3.2
177.05553	1.6
179.07152	100.0
180.07506	2.9
193.01459	3.0
203.03555	1.3
204.03973	0.7
205.05093	5.9
223.06133	37.8
224.06461	2.0
249.04111	4.6
267.05118	65.4
268.05383	2.4
293.03040	2.3
311.04111	1.4
313.05707	2.0
366.08392	1.6
385.11215	0.9
409.73587	0.6
419.11996	2.6
426.11288	0.7
429.10400	17.6
455.08499	2.0
473.09283	3.7
474.10294	1.1
481.05829	0.9
490.63123	0.7
517.08380	1.5
518.09241	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.11080	1.5
59.01385	2.3
71.01389	1.9
71.55775	2.2
96.96014	3.8
98.08998	1.5
122.06131	1.6
125.02464	38.0
138.05629	79.6
140.07129	1.6
149.06090	2.4
150.06357	1.4
159.04515	1.7
161.10805	1.3
169.01437	100.0
170.01752	1.6
175.03958	3.1
176.04514	2.4
177.05577	2.1
178.05893	2.4
184.06158	39.0
191.03549	3.6
192.03813	2.4
201.01903	1.6
203.03514	4.0
204.03969	2.8
220.03705	1.8
221.04407	1.8
235.02486	1.9
236.02664	1.5
247.02518	2.9
248.02846	3.8
266.03839	4.3
267.05093	2.7
271.99182	2.3
274.00900	1.7
299.98804	3.8
308.04987	3.2
331.06729	42.2
332.07147	1.8
338.05994	3.0
368.07013	5.1
387.87320	1.5
398.08340	1.6
428.09241	8.8
480.05365	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	516.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72561	0.8
59.01387	11.0
60.01720	1.3
61.98835	100.0
63.25615	0.7
69.60177	0.8
71.01393	4.7
71.57788	1.2
73.02949	1.2
78.95949	0.8
85.02972	1.5
89.02464	3.3
96.96020	2.9
99.08174	0.8
101.02449	2.4
113.02470	1.8
120.07979	0.8
123.00923	1.2
125.02528	1.6
127.04032	1.4
137.02365	0.7
140.01207	0.9
145.02957	1.5
161.04579	1.4
168.00751	1.4
169.01430	2.0
169.08995	0.9
206.99969	1.4
208.99599	2.6
302.57660	0.7
452.28189	0.8
456.26794	0.8
504.31436	0.8
516.24933	3.8
517.21326	1.1
517.32037	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	515.2502
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
54.41434	0.3
54.45109	0.3
55.01860	0.6
59.01389	4.3
61.98834	0.6
64.04751	0.3
67.01878	1.2
68.99853	0.4
69.90065	1.9
71.01387	2.2
72.99319	0.7
73.02959	0.6
79.01897	1.1
83.01397	1.1
85.02956	1.1
89.02454	0.4
91.93475	0.4
95.01402	1.5
95.28503	0.4
97.02974	0.9
98.20628	0.6
99.00890	0.6
101.02454	2.1
107.01409	3.5
110.00110	0.6
111.00880	2.8
113.02489	0.9
115.23421	0.3
121.49975	0.3
123.00903	14.1
124.01660	1.7
125.02464	14.0
127.00407	0.9
136.98819	1.6
139.00404	5.5
140.01193	3.8
141.01967	2.0
147.04541	12.4
148.04832	0.4
151.00389	10.4
153.02011	0.9
153.09235	0.6
168.00644	3.8
169.01440	17.8
170.01834	0.4
179.03488	0.5
181.05101	0.5
211.02374	0.5
313.05600	0.9
515.24982	100.0
516.25311	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	515.2631
Annotation	Illicidione C
Peak:m/z	Relative Intensity
59.01385	32.3
69.26794	33.9
69.27206	100.0
78.76072	12.0
87.29114	13.9
96.96045	24.7
161.14883	13.2
272.79428	14.2
320.19476	14.5
346.40131	13.2
461.10532	12.6
471.30621	14.3
515.26349	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3383
Annotation	Fusidic acid
Peak:m/z	Relative Intensity
55.07337	0.3
59.01381	1.9
59.37381	0.3
66.61093	0.3
73.02951	0.3
96.96008	0.5
98.20696	0.5
129.63527	0.3
145.02940	1.2
147.20383	0.3
163.17285	0.3
300.99908	0.3
407.30112	0.3
409.30759	0.3
453.30316	0.4
469.33301	2.0
515.33838	100.0
516.34271	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	515.3532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14748	0.4
59.07420	0.3
66.50455	0.4
70.20148	1.6
77.31117	0.4
91.75352	0.3
103.39850	0.4
106.04240	1.0
107.05015	0.6
163.11301	33.3
164.11626	1.1
169.92889	0.4
175.11328	1.9
176.12062	0.8
177.12854	3.9
190.09979	0.8
208.11049	3.4
225.00807	0.6
256.92593	0.4
267.14114	0.5
281.15552	1.4
282.16306	3.9
283.17068	6.3
293.07162	0.6
293.15552	1.2
295.16837	0.7
335.20032	0.6
339.23282	100.0
340.23676	6.0
349.21704	0.7
351.23297	6.9
515.35327	69.2
516.35712	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	515.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08320	1.3
59.01385	100.0
61.98850	1.6
72.41868	1.3
98.20737	3.6
123.28060	1.4
129.54050	1.3
161.47528	1.2
254.13112	1.4
267.19644	2.5
351.63748	1.5
353.24435	1.4
396.53894	1.7
437.15808	1.5
455.35373	33.1
456.35556	3.4
457.35767	6.6
515.31055	56.1
516.31299	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	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	2.3
62.15917	0.3
67.01895	0.6
67.49526	0.4
69.03448	0.5
69.21697	3.5
71.01392	2.2
72.99314	0.5
73.02945	0.9
79.01878	0.9
79.27862	0.4
82.00633	0.4
83.01401	0.8
85.02966	0.9
95.01420	1.9
98.19925	0.7
99.00899	0.6
101.02447	1.5
101.12167	0.4
101.15073	0.4
105.58867	0.4
107.01406	3.1
111.00909	2.4
113.02428	0.8
117.21402	0.4
123.00906	12.8
124.01678	0.9
125.01521	0.7
125.02460	12.4
126.70483	0.4
127.00387	0.7
136.98805	1.5
139.00385	4.6
140.01157	3.7
141.01955	1.7
150.99202	0.6
151.00394	10.0
163.04016	0.5
168.00652	4.0
169.01440	15.7
187.59068	0.4
211.02429	0.5
236.53006	0.4
253.03452	0.5
303.76840	0.4
313.05664	0.7
386.97629	0.4
515.25000	100.0
516.25421	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	515.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31996	0.6
50.80577	0.8
54.01160	0.6
57.03463	0.7
59.01387	11.7
61.98834	7.3
67.01881	1.0
70.97913	1.2
71.01401	3.3
72.99318	1.1
73.02962	1.1
79.01895	1.5
83.01399	1.3
85.02950	1.7
89.02458	0.9
95.01392	2.4
96.96012	2.7
97.02954	0.9
99.00900	0.6
101.02435	2.2
106.40617	0.6
107.01388	2.8
111.00893	2.7
113.02480	1.4
117.03446	0.7
123.00891	12.4
124.01697	1.1
125.02459	15.6
127.00323	0.8
136.98805	2.1
137.09729	1.1
139.00409	5.8
140.01128	3.9
141.01965	1.5
141.13075	0.6
145.02939	1.6
147.04532	10.3
151.00374	9.9
153.01920	1.2
153.09146	0.7
154.99799	0.6
157.61688	0.5
160.04091	4.1
161.04608	0.9
161.06006	1.0
163.04028	0.7
168.00662	3.1
169.01436	17.9
199.14806	0.7
226.72057	0.7
229.01685	0.6
268.03735	2.5
268.86420	0.7
271.80664	0.6
313.05621	1.6
335.18771	1.4
341.93835	0.7
353.19614	1.2
381.11584	0.6
437.49731	0.6
515.24884	100.0
516.18414	1.0
516.25299	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	515.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80992	0.5
55.01875	1.0
57.03429	0.4
59.01385	3.7
61.98827	0.6
67.01887	1.1
71.01397	3.3
71.20621	0.5
71.20985	0.6
72.99320	0.7
73.02955	0.8
79.01898	0.9
83.01390	1.5
85.02975	1.6
89.02444	1.0
95.01412	2.1
97.02937	0.8
101.02464	1.9
107.01408	3.7
111.00887	2.2
113.02428	1.4
115.47292	0.4
117.03477	10.2
119.05042	8.0
121.02866	0.5
123.00902	13.8
124.01666	1.5
125.01527	0.6
125.02464	13.0
127.00403	0.7
133.06616	1.2
136.98824	1.8
137.09743	0.6
139.00380	5.6
140.01189	3.3
141.01927	2.1
145.02974	27.9
146.03218	0.7
151.00397	11.4
153.01982	0.8
161.06079	5.5
163.04025	11.1
164.04222	0.4
168.00656	4.0
169.01440	16.5
177.05580	1.5
205.05086	9.4
235.06172	8.7
236.06558	0.6
249.81487	0.5
265.04333	1.0
265.07214	18.6
266.07477	0.9
271.04605	0.7
279.04764	0.5
313.05664	0.8
325.09125	2.1
460.98874	0.5
480.21417	0.5
515.24994	100.0
516.25415	7.6
535.96686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54158	0.2
53.66798	0.3
55.01877	0.4
57.03445	0.4
59.01391	3.0
60.49477	0.2
60.69075	0.2
61.98837	3.2
65.00337	0.5
67.01881	1.1
69.03463	0.4
71.01402	2.4
71.04867	0.6
72.99316	0.6
73.02952	1.1
74.55614	0.3
77.85792	0.3
79.01900	1.1
80.05103	0.2
83.01392	1.2
83.05025	0.4
85.02960	1.9
86.00140	0.2
87.00888	0.5
89.02441	0.4
95.01403	2.1
96.96011	0.5
96.99313	0.3
97.02947	0.6
99.00868	0.7
101.02454	2.1
107.01400	2.9
110.00092	0.5
111.00880	2.6
113.02444	0.9
117.03484	0.7
119.05022	1.4
120.61404	0.3
121.02995	0.6
123.00906	16.0
123.04591	0.3
124.01746	1.8
125.02468	14.4
126.02835	0.4
127.00391	1.2
127.04052	0.5
133.06590	0.3
136.98811	1.6
137.02457	0.4
139.00398	5.8
140.01178	4.1
141.01979	1.9
145.02937	2.8
145.03824	0.3
151.00394	11.2
153.01906	0.7
161.06091	0.8
163.04028	1.7
168.00685	4.4
169.01447	17.3
170.01842	0.3
181.05075	0.3
190.80159	0.2
205.05075	0.9
209.04517	0.5
211.02484	0.9
235.06165	1.4
253.03741	0.3
265.07333	1.4
266.31140	0.3
271.04605	0.5
277.85767	0.3
313.05670	0.7
320.18756	0.3
353.06570	0.6
386.56326	0.3
471.26349	0.4
515.24994	100.0
516.25439	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	515.229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
55.36503	0.7
59.01385	7.2
61.91317	0.8
61.98835	1.7
69.03458	1.1
69.50051	4.4
71.01394	7.2
72.99324	1.1
73.02962	1.8
73.54587	0.8
82.71152	0.6
83.01372	0.9
85.02974	2.7
87.00899	0.9
89.02455	2.3
93.03478	0.9
95.01413	1.9
96.96021	1.2
98.19852	0.7
99.00919	0.8
101.02470	4.5
107.01415	2.5
111.00906	2.0
113.02460	2.1
117.03484	34.3
117.35825	0.8
118.03786	0.9
119.05037	27.6
121.03004	1.2
123.00906	12.8
124.01693	0.9
125.01646	0.9
125.02474	9.9
127.04033	1.4
131.05032	1.1
132.05792	0.9
133.06607	4.8
136.98824	1.5
137.09743	3.7
139.00401	4.4
139.07587	0.8
140.01215	3.6
141.01880	0.8
142.05914	0.8
145.02969	100.0
146.03307	2.5
147.04543	3.6
151.00383	7.9
161.04765	0.8
161.06091	18.1
163.04027	38.9
168.00658	3.3
169.01442	13.6
175.04048	0.9
177.05583	5.7
187.04010	2.5
205.05080	31.2
221.06172	0.9
223.07530	0.7
235.06126	29.7
237.05591	2.9
251.07167	1.1
265.07199	68.2
266.07535	2.2
281.04599	2.5
309.04068	8.2
310.04788	3.3
324.06421	7.0
325.09836	4.9
338.04422	2.7
353.06674	30.1
354.07138	1.8
515.24915	83.0
516.25342	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	515.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01119	0.5
59.01389	6.9
61.83605	0.4
61.98837	0.7
67.01886	0.8
68.99825	0.5
69.03479	0.5
69.33963	3.0
69.34375	0.8
71.01381	2.7
72.99315	0.8
73.02952	1.1
76.30079	0.5
79.01886	0.6
83.01393	1.0
85.02956	1.0
95.01395	1.9
96.96001	1.5
97.02943	0.9
98.19883	0.8
98.95617	1.5
101.02438	1.5
107.01411	2.4
111.00906	1.9
113.02439	1.1
119.05042	0.5
123.00900	12.4
124.01695	0.7
125.02461	14.1
127.00407	0.4
136.98857	1.0
137.02490	0.4
139.00389	5.5
140.01164	3.1
141.01952	1.1
145.03001	1.3
151.00377	10.2
151.03981	0.5
153.01936	0.7
154.99934	0.6
160.04054	6.3
161.04404	4.5
162.04625	2.4
163.04951	0.6
168.00639	3.4
169.01443	16.9
170.01755	0.4
177.01884	0.9
191.03545	0.6
192.04294	1.4
207.06581	1.5
211.02516	0.6
265.06982	0.6
271.04532	0.7
307.08167	1.3
313.05582	1.1
366.08426	0.4
368.08932	1.0
369.09009	1.6
455.15616	100.0
456.15985	8.1
515.12177	0.8
515.22168	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36723	2.0
59.01387	10.6
61.84249	1.8
64.83635	1.8
67.07537	1.7
70.39641	6.0
70.40020	3.3
71.01384	6.3
78.95901	3.2
85.02979	3.8
89.02433	3.5
93.03506	2.6
96.96976	4.7
101.02424	3.5
107.57711	1.9
108.94352	1.7
111.00892	1.9
113.02461	2.6
119.05016	10.3
120.28977	1.8
121.06674	1.8
125.02309	1.9
130.04201	3.2
131.05025	4.1
134.13484	1.9
137.02429	2.4
145.03026	3.1
147.04517	20.5
149.02455	5.3
149.06085	18.4
155.43677	2.2
159.04520	11.7
161.02443	3.0
162.03210	4.1
163.03992	7.5
165.05559	2.0
173.02391	2.4
175.04019	61.4
176.04741	10.8
177.02032	2.6
177.05577	50.3
178.05966	2.9
189.02014	2.3
190.02797	4.1
191.03510	38.9
192.00638	2.2
193.05074	2.2
203.03513	73.8
204.04131	2.9
205.01440	5.5
219.03018	5.6
220.03741	20.8
221.04576	33.6
222.04880	2.0
234.01651	3.5
235.02531	26.3
247.02499	50.7
259.02567	3.7
264.02737	4.9
265.03558	54.5
277.03412	15.2
291.01422	4.5
300.99881	6.6
302.00186	5.8
303.00443	6.6
307.04590	26.4
308.05087	2.1
309.02621	4.2
337.05518	17.9
341.10919	2.5
367.06671	28.4
397.07635	15.4
427.08829	100.0
428.09204	5.8
441.06750	14.0
471.07874	21.8
515.06683	3.5
515.15582	6.6
521.35004	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	6.2
69.78005	6.2
71.01385	6.5
71.37505	1.4
72.99298	2.0
79.05570	2.0
82.49793	1.4
84.43420	1.3
89.02448	2.3
91.05521	1.5
101.02439	2.1
103.05541	1.7
109.02982	1.4
113.02408	1.5
113.03998	1.5
119.05046	10.5
125.02420	1.5
131.05000	3.9
133.02971	2.0
133.06673	2.3
135.04526	1.7
137.02487	2.0
147.04524	16.5
149.02464	1.8
149.06084	17.2
149.36845	1.3
159.04547	6.9
161.02432	2.8
162.03244	4.0
163.04025	8.7
165.01831	1.7
165.05664	1.9
173.02417	3.2
175.04025	47.2
176.04770	10.2
177.05569	40.8
189.01961	4.0
189.05563	1.9
190.02756	5.1
191.03511	30.4
193.01393	2.0
193.05112	2.4
203.03522	57.4
204.04012	4.3
205.01404	4.7
219.02975	4.4
220.03780	16.0
221.04529	25.9
234.01730	3.8
235.02495	29.1
247.02505	21.5
259.02380	3.5
263.05551	1.7
264.02744	4.6
265.03543	55.6
277.03540	16.4
293.38821	1.4
307.04575	19.4
309.02603	3.3
337.05615	17.7
353.01590	2.3
367.06729	23.9
397.07776	19.1
398.07813	2.2
411.05539	2.1
427.08829	100.0
428.09189	5.4
441.06686	17.0
471.07855	22.2
482.15268	1.5
490.42398	1.5
515.06787	5.3
531.47290	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	515.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36723	2.0
59.01387	10.6
61.84249	1.8
64.83635	1.8
67.07537	1.7
70.39641	6.0
70.40020	3.3
71.01384	6.3
78.95901	3.2
85.02979	3.8
89.02433	3.5
93.03506	2.6
96.96976	4.7
101.02424	3.5
107.57711	1.9
108.94352	1.7
111.00892	1.9
113.02461	2.6
119.05016	10.3
120.28977	1.8
121.06674	1.8
125.02309	1.9
130.04201	3.2
131.05025	4.1
134.13484	1.9
137.02429	2.4
145.03026	3.1
147.04517	20.5
149.02455	5.3
149.06085	18.4
155.43677	2.2
159.04520	11.7
161.02443	3.0
162.03210	4.1
163.03992	7.5
165.05559	2.0
173.02391	2.4
175.04019	61.4
176.04741	10.8
177.02032	2.6
177.05577	50.3
178.05966	2.9
189.02014	2.3
190.02797	4.1
191.03510	38.9
192.00638	2.2
193.05074	2.2
203.03513	73.8
204.04131	2.9
205.01440	5.5
219.03018	5.6
220.03741	20.8
221.04576	33.6
222.04880	2.0
234.01651	3.5
235.02531	26.3
247.02499	50.7
259.02567	3.7
264.02737	4.9
265.03558	54.5
277.03412	15.2
291.01422	4.5
300.99881	6.6
302.00186	5.8
303.00443	6.6
307.04590	26.4
308.05087	2.1
309.02621	4.2
337.05518	17.9
341.10919	2.5
367.06671	28.4
397.07635	15.4
427.08829	100.0
428.09204	5.8
441.06750	14.0
471.07874	21.8
515.06683	3.5
515.15582	6.6
521.35004	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	513.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71455	0.5
55.12388	0.4
67.35757	0.4
68.73093	0.4
70.70631	1.3
108.59604	0.4
157.01060	0.5
184.76891	0.5
351.68146	0.5
359.53241	0.5
407.33374	1.0
455.35336	59.1
456.35727	6.1
513.31201	100.0
514.31549	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	514.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
61.98839	100.0
62.94481	0.2
70.75960	0.5
70.76304	0.3
71.01395	0.9
73.02960	0.5
81.32872	0.2
85.02976	0.5
90.69527	0.2
96.96021	0.4
99.00856	0.3
100.24164	0.3
101.02471	0.8
125.02503	0.3
131.03519	0.3
132.03825	0.3
315.19458	0.3
320.21353	0.5
321.22015	0.6
322.22198	0.6
353.19980	0.3
514.27820	0.9
515.30426	0.5
531.77783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.73697	0.2
61.98837	100.0
69.28779	1.2
69.29205	1.0
90.81587	0.2
121.52304	0.3
197.30437	0.2
448.47821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	0.5
61.98833	0.4
62.35192	0.2
71.57541	0.4
79.95752	2.5
80.96506	0.4
96.96019	100.0
114.93104	0.2
125.02468	0.4
127.36014	0.3
133.02997	0.6
135.31166	0.2
137.56381	0.3
151.00421	0.5
169.01448	0.7
199.04089	0.3
220.79712	0.3
222.64716	0.4
285.04062	11.1
286.04440	0.8
286.58990	0.3
286.98920	0.3
417.08344	5.0
418.08270	0.4
510.91199	0.3
514.20709	0.5
515.20508	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	513.3119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06492	0.8
59.01366	1.2
63.17136	0.7
63.47018	0.7
87.24982	0.9
94.41906	0.8
114.69904	0.7
116.34505	0.7
123.10983	0.7
129.83595	0.7
130.41867	0.8
277.21661	4.1
284.10745	0.8
405.62787	0.8
421.52969	0.8
455.35318	62.6
456.35803	4.5
513.31189	100.0
514.31635	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97177	0.1
55.01865	0.3
58.00594	0.2
59.01387	6.0
69.03463	0.2
71.01002	0.3
71.01389	4.3
72.99315	0.3
73.02972	1.0
78.95924	0.2
83.01389	0.5
85.02953	1.3
87.00879	0.5
89.02457	3.9
97.02950	0.2
98.19749	0.3
99.00892	0.2
99.04553	0.2
99.93970	0.2
101.02454	4.4
103.04041	0.2
113.02464	2.0
119.03504	0.9
125.02454	0.3
127.07719	0.3
133.05110	0.3
143.03479	0.4
152.99597	0.4
161.04564	1.7
179.05644	0.7
197.11803	0.2
218.41982	0.2
229.16682	0.2
233.22859	0.2
235.08159	0.8
253.09308	16.4
254.09669	0.4
259.20752	0.3
275.20139	0.4
277.21738	100.0
278.22092	5.3
372.50842	0.2
431.24075	0.2
481.30042	0.3
513.32001	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	513.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61732	0.1
51.50651	0.1
55.01881	0.4
57.03458	0.2
58.00616	0.2
59.01384	6.7
69.03458	0.1
71.01387	4.8
71.04646	0.1
71.04993	0.1
72.99325	0.2
73.02953	1.1
73.03299	0.1
81.03454	0.1
81.58527	0.1
83.01394	0.6
83.05005	0.2
85.02956	1.2
85.74577	0.1
87.00891	0.6
89.02452	3.5
91.04034	0.2
95.01402	0.4
96.58878	0.1
97.02983	0.2
99.00916	0.3
101.02454	4.6
103.04040	0.1
104.86048	0.1
109.34211	0.1
113.02460	2.2
115.04057	0.1
119.03519	1.2
125.02474	0.2
127.07668	0.2
131.03542	0.2
133.05116	0.4
143.03500	0.4
149.04591	0.1
150.31787	0.1
157.05000	0.2
161.04567	1.7
179.05603	0.6
181.15843	0.1
182.13193	0.1
205.19666	0.1
217.52252	0.1
221.49925	0.1
233.22751	0.4
235.08173	1.0
253.09300	15.4
254.09734	0.5
259.20651	0.4
275.20056	0.4
277.21732	100.0
278.22073	5.5
484.53299	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.3
59.01386	16.6
61.98836	12.3
64.06458	0.9
71.01394	26.2
71.04974	1.0
72.99334	1.4
73.02957	10.6
78.48798	1.0
78.49395	1.0
82.50917	0.8
83.01409	4.8
85.02966	13.6
87.00880	1.2
89.02444	2.8
95.01402	3.2
99.00890	3.5
101.02454	23.5
107.01369	2.6
111.00879	2.2
113.02477	8.5
123.00908	8.6
123.08160	1.5
125.02470	8.6
125.34579	0.9
129.01932	1.1
132.25615	1.1
133.10229	3.7
135.11823	25.8
139.00381	1.4
140.01190	2.7
145.12349	1.4
146.85936	1.0
151.00380	5.9
159.03003	2.7
159.08165	1.4
161.04602	10.7
161.09761	14.0
168.00610	2.0
169.01448	9.4
170.22931	0.9
179.10803	100.0
180.11115	4.2
205.08685	1.8
211.02446	1.1
219.13910	1.1
223.09990	1.0
258.04013	1.0
271.17102	1.7
303.07785	1.0
307.17636	38.9
308.17957	2.0
469.28040	3.0
502.37665	1.0
513.23499	29.9
514.23004	1.0
514.28400	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	513.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34781	0.6
58.00614	0.7
59.01386	67.7
59.75424	0.6
61.98831	1.7
70.85128	1.5
71.01384	6.6
73.02946	1.2
85.02951	2.7
86.68536	0.6
89.02455	3.4
95.01404	1.3
95.71429	0.6
101.02454	5.8
113.02470	7.4
113.95468	0.6
119.03511	2.8
119.75864	0.6
120.15114	0.5
148.08948	0.9
161.04539	2.6
163.11224	0.8
164.47580	0.6
165.12862	13.4
209.12115	0.6
247.20682	6.3
273.18576	3.9
291.19681	100.0
292.19986	5.8
305.21207	2.9
315.19751	0.7
333.20718	4.3
345.20624	0.8
363.21588	1.0
381.22815	1.5
469.29773	1.1
513.27814	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	513.2699
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.6
55.40683	1.7
56.22062	1.8
57.02460	1.7
57.02848	2.4
57.03431	5.6
59.01384	100.0
61.98833	31.2
66.05930	1.7
69.03506	1.8
71.01390	28.6
71.57590	2.4
72.99293	2.4
73.02969	10.6
75.00854	2.4
83.01389	4.9
83.05024	3.8
85.02950	10.4
87.00904	2.3
88.98818	6.6
89.02457	16.5
93.03477	3.0
95.01411	4.5
95.05047	2.5
97.02940	2.1
97.06596	7.2
99.00880	2.9
101.02446	19.5
107.01388	2.9
109.02914	2.7
111.00922	4.2
112.98557	2.1
113.02466	12.0
119.03498	8.1
119.05025	2.9
119.20782	1.8
121.02917	1.8
122.06158	4.2
123.00914	10.1
125.02471	17.4
127.04021	7.0
132.25594	2.1
135.04663	2.0
135.11797	7.3
137.02464	4.5
138.01936	2.8
139.00365	3.4
139.07628	2.8
140.01147	4.1
140.39008	1.9
141.09229	2.2
145.02943	4.8
145.08714	3.1
147.04533	7.1
151.00328	9.5
151.07622	1.8
161.04532	9.6
161.09784	4.3
165.09180	2.4
169.01445	23.0
179.05652	1.9
179.10786	37.6
179.74042	1.9
203.10741	9.3
211.02518	4.3
221.11790	4.0
251.11906	2.3
291.19708	8.1
307.17679	7.6
311.14536	2.0
351.21729	4.2
453.25076	20.3
469.31607	3.4
511.20715	2.3
513.15302	3.9
513.23602	39.9
514.22906	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	513.2557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.0
57.03448	2.2
58.00590	1.8
58.49609	1.1
59.01386	54.1
64.60338	1.1
69.03486	1.3
71.01389	34.2
71.56242	2.4
72.99310	1.5
73.02953	16.1
83.01399	13.7
85.02958	18.0
86.24256	1.2
87.00867	2.2
89.02434	7.3
95.01402	3.1
96.96014	4.0
96.96951	1.8
97.01700	1.1
97.02959	1.5
97.36599	1.2
99.00900	5.7
101.02456	38.8
101.21465	1.3
101.78787	1.2
103.04030	2.6
113.02434	11.8
119.03504	3.4
123.00910	1.7
125.02459	8.0
132.37506	1.1
139.00383	1.2
141.01924	1.3
143.03474	1.9
145.05124	1.3
145.12331	2.8
151.20555	1.3
159.03001	3.4
161.04568	13.3
163.06161	2.9
165.19264	1.1
169.01437	4.2
181.59233	1.3
211.02473	1.3
247.81929	1.2
303.55997	1.4
307.17654	63.7
308.17969	3.7
332.53943	1.3
343.87921	1.2
361.14948	3.2
365.45538	1.8
390.45197	1.3
453.23422	100.0
454.23901	6.2
465.98145	1.3
513.16650	5.3
513.27185	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	513.2476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	100.0
61.98825	13.4
71.01406	11.4
71.10604	20.6
71.10937	12.3
73.02965	8.7
87.41572	9.7
101.02443	24.6
106.63029	9.7
124.96823	10.7
137.23337	9.6
141.08595	9.8
232.81738	11.7
326.15167	9.2
345.22772	13.7
382.94302	10.9
470.84436	11.3
477.26962	74.5
513.24323	17.5
513.28857	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	513.2473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	18.6
59.01380	51.1
61.98837	28.9
71.01395	34.9
71.10609	16.9
71.10938	16.3
78.56822	13.6
81.42620	11.4
91.97982	12.1
99.28228	13.2
101.02450	14.7
113.02471	21.9
115.17107	12.0
125.09756	16.4
146.91656	12.7
167.54634	12.8
227.52852	13.8
272.36514	14.7
343.90369	15.1
345.22733	22.0
377.28845	16.4
469.29709	18.4
477.26981	100.0
513.28546	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
60.53162	0.5
61.98830	0.8
63.96226	1.1
65.75135	0.5
69.30317	4.4
71.01387	6.4
73.02952	1.8
78.98606	4.6
79.95744	7.4
80.96526	46.0
85.02987	2.6
87.00890	2.7
89.02431	0.6
94.98091	11.9
96.96036	0.9
97.02979	1.1
101.02457	3.5
106.98093	2.6
112.80306	0.5
113.02496	0.6
122.97594	3.4
123.00934	0.7
125.02463	3.4
132.96820	0.6
134.97601	3.9
136.99126	1.0
148.99127	4.8
152.98657	5.9
155.10846	0.7
164.98640	8.6
169.01445	1.8
169.31879	0.6
182.99736	1.7
183.13841	0.9
199.09839	0.7
206.99686	2.1
213.14977	2.2
225.00740	15.2
230.04666	0.6
243.01918	1.9
299.04453	2.3
359.64572	0.6
361.18832	0.7
394.91418	0.6
513.20142	100.0
514.20465	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	513.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01606	0.5
52.37465	0.6
57.72964	0.5
59.01378	7.0
61.98837	4.0
62.14425	0.6
63.96248	0.6
69.03456	0.8
69.30565	5.5
70.67065	0.5
71.01388	9.9
72.99339	0.5
73.02965	3.8
75.00910	0.7
78.98599	4.5
79.95746	7.7
80.96524	49.9
81.03438	0.7
83.01388	0.9
85.02943	4.2
87.00885	2.2
87.04521	0.6
89.02456	1.8
94.98093	13.1
95.01392	1.5
96.96020	1.5
97.02956	1.6
99.00925	1.4
101.02441	6.0
106.98109	2.0
107.01362	1.2
109.02907	0.7
113.02467	3.1
119.04993	0.8
122.97604	1.8
123.00906	2.6
123.16978	0.6
125.02463	10.3
127.04004	1.2
134.97580	3.4
135.08189	1.0
136.99139	1.0
137.02495	0.7
139.00311	1.3
140.01112	0.6
141.01918	0.5
143.03568	0.6
145.02957	0.7
148.99159	4.5
149.06088	2.2
150.06874	29.3
151.00394	2.5
152.98656	4.0
153.02101	0.8
153.05670	0.6
153.09219	0.8
155.10809	0.6
158.97812	0.6
161.04619	1.8
163.03894	0.9
163.07674	5.3
164.08438	6.2
164.98631	9.5
167.00191	0.7
167.03510	0.8
168.00665	0.8
169.01437	10.7
169.12296	0.9
171.10297	8.2
178.10011	1.1
179.10774	18.6
183.13860	0.9
199.13400	0.7
206.99763	1.8
213.15005	2.4
217.10847	0.6
224.98651	1.1
225.00758	13.0
239.25525	0.6
271.04614	0.7
291.18152	1.7
299.04514	2.2
318.18341	1.0
333.20712	3.0
336.19580	2.7
350.21008	4.2
351.02078	0.5
351.21771	27.5
352.22269	1.0
375.21597	1.1
453.23416	4.9
513.20032	100.0
513.27130	31.1
514.13562	0.7
514.20319	7.4
514.27582	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	513.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01118	2.6
59.01387	43.5
61.03426	2.2
69.52271	17.4
71.01389	23.2
74.16339	2.5
79.95727	2.6
81.67439	2.5
85.02952	9.0
87.00885	10.0
89.02448	25.0
95.01378	3.3
96.96019	38.9
98.20564	4.7
101.02438	22.0
113.02431	10.0
119.03493	10.4
121.05354	7.0
122.06116	9.3
127.90636	2.9
134.26627	2.8
138.05608	7.4
148.04010	4.2
149.04800	3.4
150.05589	5.6
161.75879	2.7
165.04388	4.6
166.05138	8.7
184.11310	3.9
188.07272	4.2
202.12384	6.2
204.06667	3.9
216.06566	3.5
217.07526	5.3
228.10330	3.0
229.09906	9.0
231.11336	26.9
234.54115	2.7
243.11551	2.7
246.11357	11.5
271.10895	36.0
390.10168	4.3
397.13660	4.5
412.82755	2.5
426.17746	4.4
433.16550	3.6
451.17264	36.8
469.18478	5.2
476.52429	2.5
495.16171	10.4
513.17261	100.0
514.17816	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	513.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98294	1.0
59.01104	1.5
59.01386	20.4
60.92516	1.0
61.98830	11.4
62.92506	0.9
67.01869	1.3
69.03459	1.2
70.08038	4.6
71.01386	11.3
72.66450	1.0
73.02960	6.1
74.99093	1.2
75.00882	1.0
77.70513	0.9
79.01902	1.7
80.96490	1.2
82.95434	1.1
83.01407	5.3
84.00468	0.9
85.02937	5.9
87.00882	1.3
87.04505	3.1
89.02458	4.2
93.03468	1.7
94.98116	1.0
95.01396	3.1
96.96985	1.0
97.02950	4.4
99.00877	2.0
99.04510	1.4
101.02459	8.7
102.72984	0.9
103.04040	1.8
107.01418	4.9
109.02959	1.0
111.00906	3.3
113.02448	5.9
119.03462	2.1
119.05019	2.1
121.02984	1.0
122.03751	1.1
123.00907	15.8
123.04549	1.4
125.02466	33.9
128.39574	0.9
131.03537	1.0
135.08200	1.1
136.98825	1.3
138.08513	0.9
139.00372	6.4
139.03970	1.0
139.11275	2.9
139.42346	1.2
140.01151	2.6
141.01930	2.5
145.02928	2.2
145.05029	1.1
148.05339	2.0
151.00388	9.8
151.03981	1.1
152.03572	5.6
153.01947	2.9
154.00050	0.8
154.01453	0.9
155.10820	2.3
161.04504	1.1
163.04044	3.1
165.01883	1.2
168.00618	3.5
169.01437	35.2
179.10776	2.0
181.12332	2.6
183.10271	6.0
199.09821	0.9
199.13379	5.7
202.20903	1.0
211.02507	3.4
213.14931	2.2
220.47546	1.0
225.11426	5.3
235.84099	0.9
241.10959	1.2
243.12378	5.1
267.12506	0.9
271.04633	1.7
285.13620	1.3
297.06113	4.3
300.99707	1.7
313.05582	4.3
327.14374	1.7
351.21887	1.8
355.88925	1.0
361.18723	40.2
362.18900	2.8
387.16574	4.1
450.10605	1.2
477.13959	15.1
495.18753	1.9
513.19763	100.0
514.20282	9.1
523.91022	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38406	0.9
58.00599	2.0
59.01387	35.7
71.01391	25.9
71.03565	2.5
72.99315	2.7
73.02928	2.0
75.00875	1.0
79.30919	1.0
79.95730	2.2
83.01389	1.7
85.02961	8.2
87.00900	7.6
89.02459	20.7
90.91839	1.0
92.05041	1.0
94.06650	1.3
95.01373	2.8
95.02378	1.0
96.96021	100.0
99.00876	1.6
101.02457	16.1
108.04564	2.2
113.02470	10.4
113.92104	1.0
119.03510	12.0
120.04559	1.3
121.05364	6.1
122.06136	14.4
125.02454	2.2
125.06119	1.2
135.50877	1.0
136.04080	1.9
136.07706	2.3
138.05635	5.8
143.03517	1.1
146.06148	1.0
148.04039	4.2
149.04800	2.5
150.05618	6.2
159.06888	1.6
161.04605	1.7
162.05606	1.4
162.20497	1.0
165.04305	3.3
166.05075	5.4
169.01404	2.3
172.07701	1.8
173.08466	3.0
174.09351	0.9
174.12894	2.3
179.05672	2.4
184.11333	5.8
184.87051	0.9
187.09950	1.0
188.07169	4.0
189.07993	2.1
190.08922	1.0
200.29750	0.9
202.12431	8.6
204.06714	7.3
204.10155	1.9
213.06564	1.5
216.06664	4.9
216.08954	2.5
217.07500	6.0
218.08250	1.4
224.50703	1.0
228.10458	2.2
229.09789	9.4
231.09137	1.8
231.11386	27.6
232.11755	1.3
242.10725	1.0
243.11378	2.2
246.11346	12.9
253.09793	2.4
270.10138	2.9
271.10916	32.8
272.09079	1.5
303.98862	1.0
312.10876	1.0
328.10507	2.3
330.12073	1.1
346.11450	4.1
379.13132	1.1
390.10321	2.4
395.42752	1.0
397.13953	5.8
408.16586	3.0
415.12482	2.8
426.17688	3.0
433.15973	2.8
437.58438	1.1
451.17279	36.2
452.17548	2.7
467.50543	1.2
469.18396	6.4
470.16879	1.9
495.16144	6.6
513.17261	87.3
514.17664	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	513.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.4
61.98852	1.7
63.40160	0.6
66.14381	0.6
67.01900	1.4
69.03476	1.6
69.51932	1.8
69.52346	2.9
71.01389	3.7
73.02968	3.5
75.92007	0.7
79.01904	1.3
80.91782	0.7
81.03493	1.8
85.02988	2.4
87.04529	6.6
88.10555	0.6
89.02501	0.8
95.01432	2.0
97.02991	2.2
101.02431	6.1
107.01398	12.9
110.55918	0.7
111.00940	0.9
113.02475	1.0
123.00900	13.0
123.04552	0.8
124.01723	0.9
125.02460	65.3
126.02805	1.7
135.08160	1.8
135.74471	0.7
137.02397	0.9
137.09731	17.0
138.10117	0.7
139.00374	2.6
139.03992	0.7
139.11311	0.9
140.01164	1.0
143.03572	0.8
146.35715	0.8
151.00415	4.6
151.11311	1.0
155.10789	96.9
156.11160	2.8
156.88153	0.6
165.01985	0.8
168.00612	2.1
169.01437	100.0
169.12323	4.2
170.01823	3.3
176.13911	0.7
181.08707	4.2
193.01384	2.1
194.28731	0.7
194.30464	0.9
199.09766	81.1
200.10046	1.9
211.02435	3.0
213.11311	5.0
241.10834	20.7
271.11908	6.0
301.12946	23.4
302.13171	1.5
313.05676	7.0
361.15042	43.2
362.15121	2.5
453.13666	1.4
495.14963	1.0
513.15771	69.0
514.16174	4.7
539.24756	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87030	0.5
59.01436	3.8
60.53760	0.5
61.01442	0.5
61.98843	2.5
69.03519	1.8
71.01443	2.4
73.02995	1.0
78.91936	0.8
79.01926	0.8
80.91695	5.7
80.97601	0.6
81.03513	1.5
83.01423	0.6
83.05087	2.4
85.02988	1.3
87.04562	0.7
88.98826	0.5
89.02494	0.9
95.01431	1.2
96.96054	1.0
96.96977	0.6
97.02998	2.2
101.02499	1.3
107.01435	1.6
113.02513	1.1
117.03496	0.7
119.05062	0.8
121.02995	1.1
123.00889	3.7
124.01691	3.7
124.02474	0.6
125.02461	100.0
126.02825	1.7
137.02441	0.7
137.09700	0.8
139.00375	1.7
143.03517	0.7
145.02950	4.1
145.05063	0.9
151.00381	2.3
153.01967	0.7
155.10806	9.5
161.02406	0.6
161.04599	0.6
165.01952	0.5
166.99825	1.0
167.03596	0.7
168.00661	5.9
169.01442	90.8
170.01721	2.1
171.39970	0.5
179.05588	0.6
199.09804	9.6
211.02324	1.9
241.10614	2.4
253.10622	1.2
255.12039	0.5
269.04538	1.3
271.04526	3.0
283.11758	3.9
286.04169	0.5
313.05386	0.9
331.06287	0.7
343.13556	1.6
421.30652	0.6
431.08990	0.7
469.17169	24.8
470.16400	1.6
477.12836	1.8
513.15131	24.5
514.15442	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	513.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.6
62.34137	0.2
63.50795	0.2
69.34560	0.2
71.01379	0.3
79.95749	2.8
96.96022	100.0
97.95921	0.3
101.02440	0.2
106.47078	0.2
125.02460	0.7
150.11078	0.3
151.00381	0.2
169.01462	1.1
231.11420	0.3
258.90540	0.3
380.63675	0.3
415.12476	3.9
416.13220	0.3
451.17343	0.4
513.17017	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
56.13703	0.4
59.01111	0.4
59.01388	6.4
61.98536	0.5
61.98839	6.3
62.18809	0.4
67.01907	1.7
68.99847	0.4
69.03445	0.7
71.01390	5.4
71.57616	0.4
72.99319	0.9
73.02943	1.4
75.00873	0.8
79.01901	2.0
80.78214	0.3
83.01395	1.1
83.05052	1.1
84.02130	0.5
85.02972	2.8
86.00087	0.3
87.00887	0.8
87.04529	0.5
89.02448	0.7
93.03464	0.6
95.01393	2.3
95.05057	0.3
96.96025	0.4
97.02940	1.3
97.06582	0.3
99.00876	0.8
101.02453	3.1
107.00723	0.5
107.01410	5.8
110.00157	0.5
111.00910	4.0
113.02443	1.8
117.03465	0.7
119.05014	0.6
123.00903	20.1
123.04565	0.6
124.01680	1.2
125.02467	23.0
126.02744	0.4
127.00366	0.9
127.04013	2.6
135.04512	0.4
136.98824	2.0
137.02460	0.8
137.09741	0.4
138.01932	0.5
139.00386	7.0
139.07675	0.9
140.01184	5.6
141.01993	1.8
145.02979	2.5
151.00385	12.2
153.01941	1.1
160.04048	1.1
161.04482	1.4
163.04037	1.1
163.11308	0.5
165.05582	0.5
166.99899	0.3
168.00661	3.7
169.01448	23.9
170.00354	0.4
170.01776	0.5
179.03564	0.6
180.11121	0.3
181.05110	0.5
191.03290	0.4
211.02563	0.7
217.16162	0.4
221.04532	0.5
225.11456	0.5
253.03548	0.6
256.27533	0.4
271.04776	0.5
291.15961	0.4
291.85431	0.3
298.04227	0.8
307.08264	1.0
309.03952	1.4
310.04532	1.8
311.05591	0.4
312.06293	0.6
313.05746	1.1
324.06137	0.7
351.21817	0.8
371.44614	0.4
380.11487	2.2
381.11792	8.6
385.25577	0.4
469.31662	0.6
513.14105	100.0
513.22858	7.7
514.14447	9.4
514.22675	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.1201
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15805	0.3
69.25955	0.9
69.26366	2.4
80.76355	0.3
88.98819	0.9
96.96004	0.9
98.19839	0.7
99.30289	0.3
116.05083	3.4
117.03458	1.0
119.05011	1.1
131.03799	0.4
145.02974	5.4
159.03349	1.1
160.04054	100.0
161.04404	2.7
163.04024	0.7
174.05620	0.4
204.03021	4.5
212.03471	0.7
246.69801	0.4
250.89279	0.4
264.06693	4.8
306.07712	2.0
307.08218	2.3
318.41800	0.4
334.95001	0.4
366.08325	24.0
367.08743	1.4
422.11649	1.2
489.43887	0.5
512.12006	9.1
512.19159	0.8
513.12433	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72189	1.1
59.01379	4.9
68.91430	1.3
70.26032	4.4
70.26383	1.4
71.01379	2.4
78.95951	1.1
79.38643	1.2
89.02492	1.9
101.02430	1.6
105.03433	1.9
107.05096	1.8
113.02428	2.0
117.03458	4.0
119.05035	9.3
121.02938	1.4
125.02430	1.6
133.02913	3.1
135.04550	20.5
137.02448	6.5
145.02968	14.6
146.03644	2.1
147.04538	17.1
149.02449	2.1
155.13219	1.2
159.04497	1.5
161.02411	7.9
162.03351	2.1
163.00378	6.6
163.04034	48.6
164.01144	4.9
164.04333	1.7
165.01967	10.6
173.02444	7.9
174.03117	2.5
175.03905	2.6
177.05605	3.9
179.47278	1.2
180.99681	1.2
189.01979	8.2
190.02737	30.8
191.03526	100.0
192.03845	3.7
201.01930	8.9
203.03511	2.9
205.05109	4.7
206.99481	2.0
208.00060	2.2
209.00940	11.0
209.04538	7.7
216.00581	3.5
217.01431	29.4
218.02054	2.5
219.03009	18.4
221.00917	2.4
231.02957	4.4
233.00896	1.9
233.04568	2.5
234.01695	9.6
235.02509	57.6
235.04901	2.9
237.04138	1.9
245.00891	11.1
249.03935	1.9
251.01942	4.7
259.02435	1.5
263.02011	11.6
277.03577	37.2
288.99942	4.4
305.03186	7.1
307.04614	6.0
311.04053	3.3
337.05682	44.8
338.06244	2.4
365.05078	8.0
371.06281	3.3
387.06360	1.2
397.07764	54.2
398.07916	2.4
425.07343	13.1
426.07730	1.4
441.06628	4.4
469.06390	9.8
513.05188	6.7
534.01849	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	4.1
57.03443	3.2
58.00591	1.1
59.01387	53.2
61.98846	8.7
66.10360	1.0
68.69191	1.2
69.03471	1.1
69.39831	1.0
69.40147	8.8
71.01390	37.2
72.99321	2.3
73.02956	18.4
81.03452	1.0
83.01392	14.6
85.02961	20.8
87.00885	1.8
89.02449	4.4
95.01376	2.5
97.02943	1.2
98.19924	2.3
99.00886	6.2
101.02458	41.1
103.04015	1.4
109.02934	1.7
111.00849	1.4
113.01733	1.1
113.02462	14.8
122.06119	2.1
125.02454	3.5
129.01915	1.6
152.07162	4.3
153.01918	2.2
159.02995	3.7
161.04558	11.9
163.06137	1.7
179.10878	1.1
224.09502	1.3
247.08342	1.2
305.19724	83.1
306.19901	4.8
346.15695	1.5
347.74945	1.0
419.48553	1.0
450.32083	1.1
451.25546	100.0
452.25989	6.8
454.08704	1.1
473.25232	1.1
511.23318	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	511.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77592	1.0
55.01886	4.6
57.03452	2.4
59.01106	1.9
59.01389	28.7
61.98839	8.3
66.51434	1.0
69.43861	1.0
71.01391	33.6
71.57314	1.3
72.99302	1.2
73.02951	15.2
73.94236	1.0
83.01398	6.2
85.02962	17.0
85.30245	0.9
87.00887	1.9
89.02464	4.2
95.01414	2.5
97.02986	1.0
99.00887	5.3
101.02459	26.5
108.02239	1.6
113.02457	11.9
119.03526	2.2
125.02467	1.6
131.03494	1.5
133.10272	4.1
135.11815	26.4
138.01990	8.4
143.03542	1.5
143.10811	2.1
144.91956	1.1
159.03027	3.6
159.08174	1.7
161.04570	16.5
161.09727	16.1
169.01558	1.4
179.10797	100.0
180.11140	4.1
193.16284	1.1
205.08786	1.5
213.44032	1.3
223.09724	1.5
223.90147	1.2
285.04095	1.7
286.04626	2.6
301.00095	1.3
305.16089	48.0
306.16510	3.2
311.22278	1.0
319.21185	3.5
467.26254	2.1
511.25473	34.2
511.36227	5.9
512.25623	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	511.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52183	0.7
57.03449	8.9
58.00608	0.9
59.01387	100.0
61.98838	13.3
65.97477	0.8
69.03458	1.0
69.41135	6.5
71.01398	12.7
72.99317	1.1
73.02953	1.6
78.37294	0.7
78.95910	0.9
83.01372	1.3
83.05033	3.8
85.02950	3.7
87.00912	1.4
89.02464	9.6
93.03463	1.2
95.01405	2.0
95.05054	1.6
96.96027	1.2
97.06590	1.9
99.00890	0.8
101.02463	7.2
107.01405	1.4
108.02187	1.6
113.02488	5.2
119.03518	4.6
121.06606	1.1
123.00903	2.3
123.04522	0.9
123.08202	4.4
125.02486	4.8
129.49611	0.9
135.04524	1.6
135.11806	0.8
137.09717	3.2
138.01984	15.7
139.00368	1.0
143.03471	0.9
145.02951	1.3
147.03532	0.7
147.04521	4.8
147.08167	0.9
149.04599	1.0
149.06129	0.9
149.09700	2.7
151.00423	1.8
151.07645	2.3
159.06671	0.8
159.11804	1.1
161.04558	6.2
161.09781	1.1
164.08450	3.3
165.09241	23.2
167.03546	1.0
168.00714	1.3
169.01459	5.2
175.03995	1.5
177.09207	1.5
179.05608	2.5
179.10725	1.4
181.01463	0.9
201.12900	7.0
203.10898	1.3
205.12401	5.1
213.12840	1.9
219.13899	5.6
229.16052	1.2
231.13878	2.7
245.00687	1.0
247.16934	3.6
271.17081	7.2
273.15088	1.5
289.18127	65.0
290.18478	4.3
300.99954	1.1
313.05597	1.6
349.20303	0.9
399.54626	0.7
429.20773	0.8
451.23563	1.2
511.16360	3.3
511.22556	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	511.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.7
59.01387	5.4
61.98842	5.2
67.01916	0.6
69.53748	3.2
71.01394	2.5
71.05060	1.6
73.02965	1.4
73.28011	0.5
74.05630	0.5
74.99126	0.6
79.01922	0.8
80.96534	1.0
81.03530	0.4
85.02981	1.2
85.41161	0.4
87.00955	0.5
87.04529	0.6
89.02474	1.2
93.03495	0.6
95.01415	1.7
96.40492	0.4
97.03023	0.5
101.02435	2.2
107.01382	2.4
111.00883	0.7
113.02474	2.0
117.03487	1.4
119.05042	82.0
120.05365	2.7
121.02985	0.5
123.00902	7.9
123.04556	1.7
125.02464	17.8
133.02963	0.6
137.02473	0.5
139.00385	1.7
141.02007	1.0
141.05452	0.5
145.02988	8.7
150.06900	0.9
151.00404	5.8
153.12897	0.7
159.82204	0.5
163.04030	100.0
164.04367	2.9
167.03494	0.9
168.00647	0.7
169.01445	25.6
170.01797	1.0
175.11412	0.6
179.03452	1.1
193.12299	1.8
197.11858	1.1
211.02473	3.4
211.13449	1.0
239.12863	0.8
271.04651	0.7
286.04324	1.1
313.05667	4.8
325.09369	5.2
349.16525	3.4
442.47781	0.6
451.28809	0.7
511.17856	31.9
511.35355	0.9
512.18451	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	511.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54229	0.5
59.01393	0.6
66.98170	0.6
67.01900	0.8
68.13332	0.7
69.03461	0.9
69.12344	0.8
70.88950	1.4
71.01387	2.6
72.99327	0.8
75.00887	1.7
79.01910	1.1
83.01398	0.9
85.02953	1.1
86.24558	0.5
87.00929	0.8
95.01387	1.6
96.96027	0.8
97.02967	1.3
97.66340	0.6
101.02438	2.1
107.01409	8.4
111.00896	1.9
113.02454	1.4
121.02895	0.7
122.03754	3.8
123.00893	10.9
123.04527	1.7
124.01690	0.9
125.02462	39.7
126.02750	0.9
127.00355	0.8
131.76782	0.6
136.98801	1.3
137.02505	0.9
139.00415	4.5
140.01126	2.5
141.01909	1.0
151.00388	7.9
168.00653	3.7
169.01443	57.0
170.01765	1.8
179.03568	0.9
182.05844	10.0
183.03008	1.6
183.06644	0.9
193.01463	0.6
197.08217	4.9
198.81746	0.7
209.04605	0.8
211.02470	1.8
223.02448	0.7
241.03587	0.9
253.03343	1.0
270.45123	0.7
271.04605	0.8
273.05231	0.8
297.06226	0.9
313.05661	13.0
314.06015	0.8
327.07120	0.7
358.12198	0.7
511.14569	100.0
511.30923	2.4
512.14923	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	511.1251
Annotation	Gemixanthone A
Peak:m/z	Relative Intensity
59.01382	4.5
61.98837	11.0
63.99253	1.1
69.40237	2.1
69.40640	0.8
71.01379	2.0
73.02943	0.7
78.95925	0.8
85.02970	0.4
89.02459	1.4
94.14970	0.3
96.96052	0.4
98.19894	0.7
101.02435	0.8
112.26952	0.4
113.02434	0.8
116.82316	0.4
117.03467	2.3
119.03532	0.6
119.05005	2.3
123.00903	0.9
125.02464	1.4
131.03404	0.4
135.94965	0.4
138.01955	0.4
145.02965	10.7
147.04524	0.5
149.04547	0.4
151.00418	0.5
153.05379	0.4
156.98479	0.4
157.02983	0.7
158.03741	15.6
158.80840	0.4
159.04547	4.9
161.06111	0.7
163.04024	2.5
164.55945	0.4
168.00679	0.4
169.01399	1.6
171.04547	1.6
173.02481	0.4
173.06064	0.4
179.10829	0.6
183.04547	0.4
185.06050	0.5
195.04549	0.4
201.01926	0.7
201.05550	2.0
202.02730	100.0
203.03314	7.6
205.05081	0.6
213.05653	2.7
227.03456	0.6
231.06563	1.1
235.06093	1.3
245.04671	1.1
263.06909	0.4
265.07275	1.2
275.05582	2.4
287.49753	0.4
293.09009	0.5
300.99756	0.7
307.08185	3.7
365.08734	6.9
366.09094	0.6
467.13614	4.2
468.14252	0.5
511.12473	50.4
511.21362	3.8
512.12799	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	510.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
58.69290	0.3
59.01394	0.3
61.98835	51.0
71.56848	0.4
79.92576	0.3
107.01401	1.0
125.02448	0.6
125.52493	0.4
133.02956	4.9
149.02444	1.0
151.00360	2.9
175.04015	1.4
188.96617	0.3
199.04005	1.7
201.02008	0.5
213.05685	0.5
217.05118	1.0
241.05151	0.4
243.03026	0.5
284.03381	0.5
285.04062	100.0
286.04407	4.4
295.86905	0.4
348.11887	0.4
447.09341	10.0
448.09811	0.8
510.18539	0.6
511.18216	0.6
530.77930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45768	0.5
56.59399	0.6
61.98837	50.4
65.00319	0.6
69.40965	0.9
69.41386	3.3
77.23740	0.5
83.01424	0.5
90.23196	0.6
96.35326	0.5
107.30468	0.4
129.46576	0.6
133.02960	4.4
149.02425	0.9
151.00397	3.1
156.11264	0.5
175.04034	1.3
178.93732	0.5
199.03981	1.4
201.01892	0.7
217.05069	0.7
238.72855	0.5
241.05013	0.5
284.03293	0.8
285.04068	100.0
286.04382	5.4
348.11868	0.8
447.09344	11.9
448.09668	0.6
456.37027	0.5
510.18903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.8
61.98835	9.0
63.02434	0.8
69.36076	6.1
70.10027	0.8
89.02446	0.8
90.86831	0.7
96.01612	0.7
104.41347	0.9
107.01402	1.6
121.03052	0.8
125.02455	1.8
133.02921	1.8
149.02415	1.1
151.00362	2.8
169.01424	3.1
175.03793	0.8
199.04099	1.0
204.62956	0.7
217.05104	0.9
227.03569	0.8
241.04929	1.0
256.03754	1.8
284.03284	46.4
285.04059	100.0
286.04385	4.9
297.04395	0.9
300.99826	1.2
327.05075	1.0
447.09348	99.3
448.09711	7.7
451.32825	1.6
519.46863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
101.34201	44.0
104.75451	52.9
118.12170	44.9
125.54137	40.0
198.17935	44.7
285.03979	63.1
444.79633	50.2
509.34598	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0892
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01394	0.6
61.98838	2.8
69.30650	6.3
69.31052	1.1
72.20294	0.6
76.97736	0.7
90.99825	0.7
107.01377	0.8
133.02936	4.3
138.47798	0.7
149.02461	1.4
151.00372	4.2
175.04045	1.6
199.03995	2.1
202.63692	0.7
217.05251	1.0
243.02728	0.9
256.03848	1.2
284.03296	2.1
285.04071	100.0
286.04428	4.7
296.24829	0.7
307.97980	0.8
424.67456	0.7
447.09372	41.7
448.09634	2.5
466.95166	0.8
525.61108	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99139	0.7
55.01889	7.7
57.03461	6.4
58.00603	1.7
59.01385	49.2
60.00211	0.9
69.03445	2.0
69.28876	2.2
69.29292	5.0
71.01390	100.0
72.99303	2.6
73.02954	33.3
75.00872	2.0
83.01391	19.3
85.02959	51.7
86.00105	1.3
87.00888	5.9
89.02456	18.2
95.01387	7.7
97.02975	3.6
98.19871	2.1
99.00887	16.0
101.02453	84.1
102.02774	1.1
107.99961	0.8
111.00902	1.8
112.01739	1.2
113.02460	46.1
115.04040	1.1
119.03515	5.7
119.25435	1.0
125.02491	4.0
129.01927	1.8
131.03505	1.7
143.03506	5.9
159.02983	10.0
161.04572	39.0
179.05624	1.5
205.03542	0.8
207.89943	0.8
217.47397	0.8
221.06731	2.3
222.60526	0.9
232.30331	0.8
244.83900	0.8
281.21268	0.9
347.24368	57.5
348.24808	2.4
509.29703	63.9
510.30002	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	509.297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.8
57.03452	6.6
58.00594	2.1
59.01387	47.6
62.24052	0.5
69.03467	1.4
69.34008	1.5
69.34425	2.7
71.01390	100.0
72.01730	1.2
72.99313	3.4
73.02953	36.1
74.26586	0.5
75.00896	1.6
81.03486	1.1
83.01393	16.6
84.02181	0.8
85.02959	49.1
86.00124	1.6
86.03289	0.6
87.00891	4.8
89.02454	17.7
91.27766	0.6
95.01395	7.4
97.02971	3.1
99.00895	13.4
101.02454	93.9
102.02790	1.0
111.00900	1.7
113.02464	42.8
119.03513	6.1
121.02942	0.5
125.02477	4.6
129.01942	2.3
131.03525	1.3
143.03502	6.8
156.94206	0.4
159.03012	9.1
161.04578	40.3
169.94319	0.4
179.05630	2.3
196.34587	0.5
233.06662	0.6
235.33284	0.5
245.06676	1.0
255.19589	0.7
263.07758	2.3
323.09949	0.5
324.47577	0.5
332.30676	0.5
347.24402	58.9
348.24713	2.9
395.16235	0.5
418.80856	0.5
488.56546	0.5
503.83038	0.6
509.29721	46.9
510.29999	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	509.2973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.7
57.03447	5.5
58.00591	3.1
58.75607	1.9
59.01112	3.5
59.01387	55.4
62.59669	2.3
70.42645	2.2
71.01392	71.3
72.99325	4.1
73.02953	27.6
83.01395	20.2
83.27296	2.1
85.02959	36.8
87.00902	4.2
89.02457	25.6
95.01399	6.7
96.96002	2.1
97.02970	2.4
99.00892	9.5
101.02454	100.0
101.08305	2.0
113.02459	37.0
119.03490	12.0
121.52207	2.1
128.60983	2.1
143.03523	6.8
159.02971	6.7
161.04553	27.3
162.04985	2.9
163.23697	2.1
179.05632	4.1
194.69424	2.0
239.99216	2.1
281.11145	2.2
285.04025	3.5
347.24393	61.8
348.24756	5.5
369.71533	2.0
473.32834	2.9
509.29587	61.1
509.36578	3.1
510.30042	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	509.2604
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86613	0.1
55.01880	0.5
57.03452	0.6
59.01388	5.2
61.98839	1.1
66.49268	0.1
69.03469	0.4
71.01391	7.8
71.05042	0.1
71.28397	0.3
72.99311	0.7
73.02956	3.9
75.00873	0.4
78.34207	0.1
81.03467	0.4
83.01392	1.1
83.05068	0.1
85.02961	3.2
86.03348	0.1
87.00882	1.1
87.04524	100.0
88.04858	1.1
88.49673	0.1
89.02454	3.0
93.03458	0.1
95.01395	0.4
97.02975	1.3
99.00896	2.4
99.04514	0.2
101.02455	4.4
101.06098	0.1
102.02771	0.1
107.01388	0.2
108.39529	0.1
109.02936	0.2
111.00890	0.3
111.02033	0.3
113.02467	2.2
115.04028	0.8
119.03520	0.2
119.05042	0.5
124.01679	0.2
125.02460	2.3
127.04056	0.2
131.03516	1.1
137.02441	0.4
139.04018	0.2
141.05624	0.2
143.03532	0.9
145.02933	0.2
145.12358	0.6
149.02473	0.1
149.04572	0.6
155.00961	0.3
159.02867	0.1
161.04541	1.1
162.06892	0.2
163.04021	0.3
167.03450	0.2
169.01466	0.2
177.09142	0.3
191.05721	0.3
205.07185	0.8
208.00246	0.1
220.53262	0.1
233.06714	1.1
253.14436	0.2
257.06683	0.2
270.98804	0.1
275.07800	0.3
285.04071	0.3
289.16592	1.0
293.08817	0.3
307.17651	0.5
311.09390	0.2
347.17047	0.2
377.21765	2.3
421.20807	6.8
422.21011	0.4
433.19598	0.2
434.17245	0.1
439.21973	1.1
473.14288	0.9
477.18640	0.3
508.35806	0.2
509.26074	19.8
509.34821	0.7
510.26617	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08321	0.1
55.01887	1.1
57.03442	0.6
58.79016	0.1
59.01387	6.3
61.98835	2.5
62.59652	0.1
63.33898	0.2
69.03461	0.6
69.49875	1.2
71.01389	11.9
72.01751	0.2
72.99313	0.7
73.02956	5.7
75.00895	0.8
81.03448	0.3
83.01401	2.2
85.02959	5.7
87.00890	1.3
87.04523	100.0
88.04837	1.3
89.02454	3.6
95.01410	1.0
96.96021	0.8
97.02950	1.1
99.00893	2.8
99.04539	0.2
101.02457	7.8
102.02835	0.2
111.00884	0.5
113.02467	4.0
115.04037	1.1
121.02932	0.2
123.04522	0.2
125.02444	1.4
131.03519	1.1
135.04453	0.2
138.02016	0.2
143.03506	0.7
145.02980	0.2
145.12434	0.4
149.04546	0.9
159.02985	0.4
161.04567	2.8
163.06139	0.3
163.53954	0.2
167.03531	0.6
177.09290	0.3
190.60670	0.2
191.05574	0.5
205.07153	0.4
233.06706	1.8
240.34972	0.2
275.07739	0.3
285.03909	0.3
289.16498	0.9
293.08868	0.7
299.99118	0.6
307.17679	0.7
309.20654	0.2
311.13086	0.3
377.21716	3.8
378.22141	0.3
421.20782	4.2
439.21875	0.5
447.09225	0.3
449.23923	0.4
451.39966	0.2
509.26010	30.1
510.20157	0.2
510.26514	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	509.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	6.2
59.01387	53.6
61.98840	100.0
68.40495	3.4
70.57655	4.3
70.58002	12.1
71.01389	33.9
71.05020	4.6
73.02946	14.8
76.08578	4.2
78.95916	4.6
83.01416	4.7
85.02953	15.6
87.00916	5.6
89.02471	12.4
93.03462	6.1
95.01440	4.6
95.05056	5.4
96.96017	4.8
97.02968	4.3
99.00868	6.3
101.02457	30.2
107.01399	5.1
107.16528	4.2
112.92947	3.9
113.02457	12.3
113.06116	4.9
119.05029	18.3
120.05386	9.3
121.02952	5.8
123.00940	10.0
124.01685	7.3
125.02444	18.8
135.04524	42.2
137.02419	13.6
138.01974	5.5
139.04007	8.6
139.88748	3.5
145.02933	6.6
147.04539	9.4
153.05602	12.0
159.03024	5.8
161.02383	5.3
161.04536	17.3
161.05998	6.1
163.03909	6.6
169.01447	32.5
179.03502	41.9
179.10785	6.6
194.98344	6.8
199.09735	9.2
206.86499	4.1
251.11925	8.1
252.95863	4.0
267.19681	9.1
268.19986	8.9
270.98779	6.6
277.09729	6.3
278.10382	11.4
285.04071	17.1
291.11566	7.7
292.11908	17.9
293.12747	19.2
294.18054	6.7
298.98315	8.3
299.99020	10.9
311.09387	5.6
311.18726	6.1
311.99393	9.4
312.18924	6.5
313.05826	8.2
327.01605	15.0
335.09885	4.3
336.10876	5.6
377.25327	4.6
433.19769	7.5
447.09451	7.0
449.23853	30.6
477.18787	26.5
509.20898	39.8
509.30646	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	509.203
Annotation	Lactoside B
Peak:m/z	Relative Intensity
55.01897	0.5
56.54288	0.5
59.01374	2.0
61.98843	0.4
64.53300	0.5
66.44713	0.5
71.01383	1.5
71.57322	0.6
72.99309	1.3
74.99104	0.6
75.00893	0.9
85.02977	0.7
89.02458	1.1
93.03444	0.5
96.96037	0.5
101.02439	0.7
107.25211	0.4
108.02190	1.1
109.02962	1.9
109.95432	0.4
120.99651	2.5
121.02972	2.0
122.03748	13.0
123.00856	1.0
123.04501	1.9
124.01661	1.5
125.02428	2.4
134.03731	0.6
135.04544	1.9
136.01721	0.5
136.99174	0.5
137.02451	2.6
137.06035	0.5
139.04007	1.4
146.18825	0.4
147.04541	3.7
148.05299	0.4
149.06111	0.8
152.53078	0.5
154.02690	2.2
161.06081	1.3
162.06848	0.6
163.07590	0.5
165.01932	1.2
165.05577	15.8
169.01404	2.3
178.06415	1.0
179.07170	3.7
180.04239	0.6
180.07924	0.8
183.02930	1.0
191.07159	0.6
195.06665	1.2
209.08195	1.2
211.02438	2.0
225.07669	1.0
271.04657	3.4
299.12891	0.9
300.99792	0.7
301.10880	0.9
302.11356	0.6
311.04584	0.5
317.13943	1.3
329.14011	1.0
332.08896	0.5
332.12650	2.2
347.15018	100.0
348.15335	7.0
509.16629	1.8
509.20117	1.5
509.29224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28959	0.9
53.13150	0.9
53.96355	0.9
55.51837	0.8
58.53361	0.9
59.01368	2.8
60.35406	0.8
71.01388	2.3
71.03703	1.5
71.04037	1.8
72.99297	2.8
74.99086	3.0
75.00859	2.1
78.95885	1.2
85.02982	1.1
87.00872	0.9
88.19033	0.8
89.02437	1.1
92.48550	0.8
95.01372	2.1
96.96043	0.9
97.02933	3.0
97.15823	0.9
101.02472	1.4
111.00889	1.2
113.91696	0.9
123.00893	3.1
125.02492	5.4
136.99106	4.4
141.01947	1.3
145.02994	7.5
148.01627	1.5
151.00354	1.1
160.01662	2.3
163.03972	1.7
168.00664	1.4
169.01471	5.2
176.01173	9.3
178.99857	1.3
204.00620	2.5
211.02446	1.1
232.00110	2.3
235.06139	1.3
245.00719	1.0
251.34514	0.9
258.98709	2.8
259.99570	9.7
271.04550	1.7
286.98340	1.8
287.96198	1.4
287.99152	21.3
300.99951	1.3
303.01563	4.9
307.08255	2.7
313.05701	1.1
315.04974	1.5
315.98615	47.6
316.98846	3.2
331.00977	100.0
332.01361	5.4
333.97467	1.0
345.02353	1.6
346.03308	54.5
347.03467	2.6
347.07404	1.3
361.09335	3.0
376.23898	1.0
449.11197	1.2
465.14038	2.7
491.12207	2.2
494.06403	1.3
509.09259	72.1
509.29352	2.2
510.09332	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	509.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.7
61.98838	100.0
67.63596	0.2
67.69178	0.2
68.37970	0.2
71.01388	1.8
72.99356	0.2
73.02962	0.6
83.04568	0.2
85.02968	0.7
89.02493	0.6
89.55533	0.2
93.03510	0.5
93.04021	0.2
94.03751	0.2
94.28423	0.2
101.02475	0.9
108.02170	0.5
113.02506	0.5
117.03482	0.4
119.05091	0.2
121.02976	0.3
123.00916	0.5
123.04549	0.7
124.01720	0.3
125.02483	0.5
130.69458	0.2
133.02979	0.4
135.04514	0.4
137.02457	0.6
138.01988	6.9
139.04059	0.4
140.04358	0.3
144.13643	0.3
145.03004	0.9
153.05643	0.4
161.02490	0.5
161.04581	0.3
166.13072	0.2
169.01492	1.1
179.03535	0.5
179.10899	0.6
242.99449	0.3
263.05774	0.4
267.66028	0.2
270.98944	0.9
277.27075	0.2
285.04117	0.5
298.98456	0.5
299.99222	0.5
305.00284	0.2
311.99261	0.6
313.00031	0.3
316.65659	0.2
327.01715	0.4
413.43372	0.3
427.71588	0.3
452.54074	0.3
509.22961	0.7
509.30713	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	32.1
61.98832	18.9
62.67530	3.7
71.01406	28.1
73.02961	10.4
78.91882	8.0
80.91701	12.7
83.01389	6.7
85.02956	12.3
87.04526	100.0
89.02456	14.7
89.41875	4.0
98.20641	16.5
99.00887	4.8
101.02439	25.2
113.02397	8.3
116.55124	4.0
125.02457	5.5
138.01892	3.8
161.04504	9.7
195.18959	4.2
229.56107	4.7
308.86575	4.1
311.05640	50.4
346.75812	23.8
354.70367	4.8
421.20694	4.7
473.14331	9.7
508.35931	29.1
509.26236	15.3
509.34955	15.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99926	0.3
55.01883	4.8
57.03458	4.5
58.00596	1.1
59.01387	24.1
61.51826	0.3
61.98831	0.9
62.57475	0.3
68.99813	0.4
69.03485	1.0
71.01389	46.9
71.33630	0.3
72.01743	0.5
72.99312	1.7
73.02953	20.0
75.00882	1.3
81.03482	0.5
83.01396	9.2
84.02180	0.8
85.02962	29.0
86.00101	1.2
87.00871	2.4
89.02453	5.4
95.01395	4.0
96.31054	0.3
97.02967	1.1
98.20639	1.0
99.00891	7.4
101.02454	41.2
102.02802	0.4
111.00899	5.2
113.02464	19.8
119.03516	1.1
125.02448	2.8
129.01944	1.6
131.03543	0.4
137.02466	0.5
137.06099	0.4
138.01952	0.4
139.07643	0.4
141.01968	0.5
141.12869	0.4
143.03525	2.5
151.03981	0.6
157.12376	0.6
159.03012	5.8
161.04575	18.6
169.01431	0.9
179.05640	0.5
179.10765	1.3
193.06580	0.9
200.10020	0.3
205.03601	0.4
231.37527	0.3
263.20212	0.3
279.49033	0.3
285.11139	0.5
297.24347	0.8
299.25861	3.0
313.05936	0.5
345.30121	16.0
346.30423	0.9
375.24182	0.6
507.35388	100.0
508.35770	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	508.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.6
57.40780	1.2
57.72924	1.2
59.01387	23.6
61.98836	28.1
62.94099	1.2
69.47491	1.2
69.73022	8.0
71.01397	14.9
73.02968	4.3
75.00883	52.5
82.47652	1.4
83.01389	2.2
85.02967	5.1
87.00878	11.2
89.02463	5.5
95.01405	1.8
96.96046	1.8
99.00892	1.5
101.02480	8.7
107.01426	2.2
111.00880	1.8
113.02461	3.5
117.03471	3.7
119.05022	4.0
121.02996	4.1
122.03323	2.0
123.00912	4.1
125.02470	9.7
128.05090	5.5
130.06622	3.9
131.03789	3.9
132.04564	24.2
137.02466	4.6
138.02037	1.8
139.04039	2.5
144.04573	24.7
145.02969	9.6
146.03328	3.6
146.06134	23.5
149.04510	1.5
151.00403	2.5
154.02264	1.3
158.06172	5.9
161.04604	3.1
163.03996	3.4
169.01447	9.5
174.05617	100.0
175.05952	3.1
176.07220	1.7
179.03362	1.7
179.05620	1.9
179.10782	3.8
197.07893	1.3
202.05119	57.6
203.05466	2.9
211.02470	1.9
220.06160	32.3
235.63771	1.7
242.99348	3.2
270.98868	11.5
271.29388	1.3
285.04001	1.9
286.04553	1.5
293.08783	3.1
297.20493	1.4
298.98386	13.8
299.99170	1.5
300.99677	1.5
305.16312	1.8
325.43665	1.4
329.06406	4.8
372.23526	1.7
377.21783	2.3
437.51526	1.3
448.22623	2.0
470.21667	1.7
472.13184	1.4
508.15482	11.9
508.22287	6.5
508.33746	2.1
509.07172	4.9
509.16776	6.4
509.26099	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	507.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	4.2
57.03457	3.5
58.00596	1.3
59.01387	22.8
59.47488	0.3
61.98835	7.0
65.09096	0.3
69.03484	0.7
71.01389	51.6
72.99326	2.7
73.02955	19.5
75.00879	1.1
82.95432	1.1
83.01397	9.9
85.02964	25.2
86.00142	0.9
87.00887	2.8
89.02447	6.8
91.48088	0.3
95.01399	4.3
95.57169	0.3
96.63641	0.3
96.95985	0.4
97.02967	1.7
99.00896	8.0
101.02458	41.8
102.02818	0.5
108.02186	0.5
110.06144	0.7
111.00901	3.8
113.02466	23.4
113.09708	0.4
119.03513	2.5
119.93273	0.4
123.00910	1.1
123.04549	0.5
124.01660	3.1
125.02474	2.2
129.01973	1.5
131.03502	0.6
135.04515	0.4
137.02374	0.4
138.02000	1.7
139.04039	2.6
141.01996	1.0
143.03519	2.9
145.02937	0.6
149.04684	0.4
153.05635	0.5
157.12456	0.5
159.03004	5.4
160.01637	0.7
161.04568	24.0
162.04799	0.5
163.04027	1.0
169.01497	0.9
175.04016	0.4
179.10796	0.9
205.03574	0.7
249.10416	0.9
251.11934	1.0
262.07468	0.7
263.08344	0.8
263.12015	1.2
264.08994	0.5
264.12500	0.4
265.13376	0.4
276.09061	1.4
277.09830	7.1
279.80545	0.4
283.22736	0.4
285.03952	0.8
291.11453	7.5
292.12198	8.8
299.25885	2.3
299.99268	1.0
324.11090	0.8
335.10437	3.1
336.11121	2.8
345.13574	0.5
345.30145	13.4
346.30359	0.8
355.56296	0.5
375.23715	0.7
402.17969	0.5
414.18246	1.8
432.19235	2.8
458.17340	0.9
476.18326	10.7
476.25296	0.7
507.35419	100.0
508.21136	6.4
508.35742	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	507.325
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.7
68.23053	4.7
71.56835	7.3
84.73082	5.8
87.72521	6.8
90.90685	4.9
96.96021	19.1
108.20535	5.8
146.35107	5.5
164.86801	5.3
191.05701	4.9
243.84586	5.1
341.83850	5.3
376.02322	6.1
407.33148	5.8
451.31937	9.5
453.33920	43.8
471.34851	100.0
472.35239	9.1
507.31824	17.1
509.11356	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	507.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42113	9.9
59.01390	21.6
71.04981	9.7
71.68382	11.2
73.06864	10.5
80.87032	9.5
82.90314	9.8
96.96019	33.3
121.46918	11.5
416.77856	11.3
453.33734	41.1
471.35345	100.0
507.31424	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01373	15.0
64.44208	3.7
69.52118	8.9
69.52512	24.7
78.95914	32.3
90.78706	3.9
98.19922	7.0
152.10400	4.4
152.99594	32.7
227.03229	5.2
279.23337	100.0
333.81882	3.9
405.55032	4.2
471.35150	19.2
507.26642	51.9
508.27832	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	507.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53411	6.7
59.01382	14.8
69.40194	64.5
78.95959	9.1
79.85716	8.4
95.04660	7.3
152.99561	13.6
185.53235	7.5
213.03499	8.2
224.97653	8.2
279.23349	100.0
282.25058	17.2
356.68970	8.5
507.26953	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	507.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
60.59921	1.8
69.33576	14.7
75.82874	1.8
82.07327	1.7
94.08319	1.5
96.96027	4.6
97.02949	2.8
131.25172	1.6
183.02296	1.9
203.99065	1.5
285.04300	2.1
373.76086	1.7
407.33334	1.9
448.95282	1.8
471.34872	100.0
472.35260	10.9
507.32593	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	507.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91653	12.6
71.20264	32.9
72.10466	13.6
72.46462	12.9
90.10185	12.3
135.01903	15.4
135.17332	13.3
175.96596	16.6
214.26694	13.0
221.15607	14.4
346.46161	15.4
408.35095	16.2
471.34900	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10458	17.0
69.53196	65.5
69.53628	60.5
71.07767	15.5
78.95933	25.4
109.71769	15.8
234.76224	17.2
277.21747	22.9
279.22437	25.4
290.90604	15.7
301.23325	15.1
362.22250	20.2
372.01932	16.5
395.71881	16.8
471.34891	100.0
472.35367	19.7
507.25873	19.6
507.49945	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	507.245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	3.7
58.00587	2.7
59.01384	90.9
61.98836	30.0
66.06851	2.7
66.70825	2.6
69.30769	21.6
71.01392	60.2
72.99311	5.1
73.02960	18.2
83.01401	5.5
85.02953	18.0
87.00899	4.0
88.98829	2.9
89.02454	46.7
93.03473	23.8
95.01411	4.8
96.96034	8.9
96.96996	3.8
97.02964	3.8
98.19839	4.8
99.00887	12.2
101.02467	40.0
108.02184	5.0
109.02988	6.2
111.00967	4.0
113.02456	19.7
119.03512	13.1
119.05043	8.3
121.02965	6.0
121.38572	2.4
123.00901	30.5
124.01675	100.0
125.02428	9.2
131.03513	21.4
133.02954	3.1
133.10217	4.1
135.04530	6.3
135.11804	11.1
136.01701	3.0
137.02451	36.3
138.02003	5.9
138.03212	6.3
139.04024	86.1
143.03581	3.4
145.02985	9.9
147.04535	3.6
149.02449	3.1
149.04578	19.2
153.01939	8.5
153.05664	3.3
159.03085	3.8
159.04460	2.5
161.02409	2.9
161.04547	15.8
161.09753	7.2
163.04012	7.0
165.05562	3.2
169.01465	8.6
177.01929	3.2
179.03481	5.7
179.05653	9.5
179.10793	25.9
181.05037	3.4
191.03654	3.6
191.05600	8.9
213.05544	6.9
236.76472	2.5
285.04111	6.8
301.09283	6.5
315.18268	3.6
323.15182	3.3
361.03580	3.0
417.08096	5.7
447.21735	20.5
463.09979	4.0
507.22638	39.5
507.28809	5.7
508.22949	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	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	3.8
57.03420	3.5
59.01389	73.3
61.98840	30.1
62.33052	2.4
69.27972	25.5
71.01389	54.5
72.99326	4.3
73.02946	16.1
75.00864	3.2
78.95935	3.9
83.01408	6.1
83.05055	2.5
85.02959	12.1
87.00854	3.2
88.98814	3.1
89.02457	42.3
93.03460	23.8
95.01406	3.2
96.96002	5.3
96.96947	3.4
99.00880	8.2
101.02448	38.1
108.02211	3.0
109.02979	4.6
113.02466	23.7
117.03436	3.1
119.03516	9.8
119.05030	6.1
121.02979	4.4
123.00909	31.0
123.04554	3.9
124.01675	100.0
125.02429	12.3
131.03535	19.0
133.10262	4.1
135.04532	7.2
135.11794	10.6
137.02472	44.0
138.03201	3.7
139.00374	3.3
139.04030	83.6
145.02982	6.6
147.04462	3.4
149.02440	3.1
149.04530	12.0
153.01929	6.3
153.05579	4.0
161.02463	2.9
161.04575	16.3
161.09749	11.9
163.04018	7.5
169.01460	6.2
179.03482	6.6
179.05621	6.6
179.10797	31.4
191.05611	9.0
211.13445	2.9
213.05550	10.9
285.03976	10.2
301.09317	5.5
315.17993	5.2
417.08478	3.2
447.22125	30.2
463.10022	2.8
507.07550	7.7
507.22751	39.7
507.29037	5.6
511.88715	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2451
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	1.4
58.00597	3.2
59.01384	100.0
60.99285	1.1
61.98830	12.0
63.42569	1.1
69.03458	2.4
71.01389	34.4
71.57667	1.3
72.99309	4.6
73.02953	19.8
83.01385	5.4
85.02966	14.4
86.00076	1.3
87.00874	6.8
87.04519	3.3
88.98817	3.6
89.02455	27.3
93.03458	3.9
95.01415	2.4
95.05034	5.1
97.02961	1.1
99.00879	2.9
101.02456	42.7
103.04021	11.7
109.02950	3.1
113.02480	7.3
115.04019	5.0
117.03464	4.2
119.03513	9.9
119.05008	5.0
121.02959	3.3
121.88085	1.1
123.00920	1.5
125.02467	7.4
127.04063	1.4
131.03502	7.4
135.04471	1.6
137.02431	4.3
137.73669	1.2
139.04025	35.4
143.03494	8.7
145.02963	15.1
145.05048	4.5
157.05035	2.4
161.04630	6.2
161.05832	1.5
163.03963	3.6
163.06139	45.0
169.01421	5.1
179.03500	3.1
179.05588	2.1
197.99278	1.4
199.00024	1.9
205.05223	2.1
205.07170	16.3
211.89555	1.1
265.09332	3.0
285.04077	6.8
287.45627	1.2
301.00165	1.1
301.16650	5.3
315.18036	4.0
343.10687	1.3
417.08115	2.2
441.78171	1.2
447.22021	12.3
450.93942	1.3
471.13010	1.8
507.08228	2.8
507.15057	2.3
507.22272	4.7
507.33875	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26962	3.1
55.62232	3.6
56.48084	3.0
59.01385	6.9
61.98835	4.0
71.01366	4.6
98.19756	5.0
101.02441	5.2
111.08164	11.0
136.05995	3.4
138.01958	11.8
169.12271	4.3
197.02344	3.6
197.11842	44.1
211.13425	5.0
291.19632	8.0
299.98962	5.6
309.20752	100.0
310.21017	3.6
507.33792	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.237
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97332	3.3
59.01382	12.0
61.98831	3.9
62.85071	3.2
64.12380	3.4
70.97288	6.1
71.01395	9.0
74.65229	3.0
83.57203	3.4
101.02429	9.0
111.08187	10.4
154.93637	3.2
194.75920	3.4
197.11891	40.0
204.10831	3.2
211.13445	3.9
263.20291	4.6
291.19696	10.1
309.20746	100.0
310.21173	7.0
327.10468	4.6
377.46640	3.6
485.93329	3.3
507.22955	5.1
507.34769	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27390	2.4
57.03444	4.2
59.01381	34.0
61.98840	15.6
70.11967	5.9
70.12366	5.1
71.01391	18.2
73.02972	5.4
75.00864	2.7
78.95923	2.4
83.01437	3.2
83.05065	2.2
84.39539	2.9
85.02975	7.3
85.26894	2.2
89.02468	6.4
97.06622	2.7
99.00903	2.8
101.02462	13.0
108.02192	9.4
109.02509	3.4
111.08165	10.2
113.02444	7.3
119.03519	3.9
135.04504	5.4
138.01982	88.0
139.01503	2.5
139.02350	30.1
145.02826	2.4
161.04588	4.8
164.20799	2.3
190.59387	2.7
197.11858	22.3
211.13492	2.7
291.19647	7.9
300.99686	2.6
309.20746	100.0
310.21091	5.7
345.30173	3.4
385.72110	2.5
396.69067	2.3
417.08026	3.0
471.25775	3.4
489.33258	5.9
506.34543	7.6
507.22943	7.9
507.35077	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	507.2239
Annotation	Milolide K
Peak:m/z	Relative Intensity
55.01877	0.7
57.03449	0.8
58.00602	0.2
59.01386	5.7
59.79012	0.2
61.98838	0.8
65.00320	0.3
67.01888	0.5
68.99838	0.3
69.89897	0.3
69.90289	0.5
71.01392	5.2
72.99323	0.3
73.02956	1.9
75.00883	0.3
81.03481	0.7
83.01398	1.7
85.02965	3.3
87.00901	0.6
88.98808	0.3
89.02444	1.0
91.01910	1.0
93.03468	0.4
95.01381	1.0
96.99345	0.2
98.20015	0.3
99.00885	0.7
101.02453	3.8
107.01398	2.4
108.02205	0.9
109.02962	26.9
110.03309	0.5
111.00896	2.1
113.02458	1.6
119.03551	0.3
119.05070	0.7
121.02956	0.5
123.00904	3.0
123.04517	0.5
124.01711	1.5
125.02469	1.7
133.03021	0.2
135.00887	2.4
135.04543	0.3
136.01343	0.3
137.02473	1.4
139.00409	0.8
139.04118	0.2
145.02965	0.7
147.04613	0.4
150.03279	0.2
151.00366	0.5
152.01158	2.7
153.01952	44.8
154.02306	1.0
159.02994	0.3
161.02425	1.5
161.04546	0.4
163.04022	0.7
165.05586	0.5
165.85037	0.2
169.01453	0.3
174.44560	0.2
177.05600	0.3
179.03397	0.3
193.05080	0.5
195.03020	2.1
207.02983	0.3
209.15434	1.7
213.30246	0.2
217.75714	0.2
237.04030	0.7
255.05075	1.7
285.04117	0.6
297.06262	0.6
297.45734	0.2
417.08649	0.4
469.20605	1.3
475.16418	0.3
507.22366	100.0
508.22726	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	507.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22118	2.5
59.01382	18.4
69.30492	23.2
71.01394	8.5
72.99328	5.2
75.00879	5.3
78.95914	7.4
85.89426	2.8
86.89339	2.9
87.00900	3.3
89.02463	5.0
96.96023	3.5
96.97006	4.1
101.02441	5.5
102.40887	2.5
103.04045	11.0
107.01452	4.6
109.02949	6.1
113.02479	6.3
117.03521	5.1
119.05022	5.5
120.99683	21.8
121.02942	4.5
123.00894	12.3
124.01675	3.4
125.02466	31.5
134.03752	5.8
135.04573	5.8
136.01656	32.6
137.02449	36.4
138.01997	5.2
138.03169	2.8
139.00420	3.5
145.03012	13.3
146.03325	6.4
147.04562	3.9
148.05264	3.2
149.06085	4.3
151.00389	5.0
151.04027	50.8
160.04034	12.9
161.02512	5.2
161.06090	7.1
162.06897	26.7
163.07666	12.0
165.01956	10.6
166.02635	3.9
169.01447	43.6
169.05174	2.9
175.03979	4.2
176.04861	4.1
178.02782	8.9
179.03529	8.4
180.04340	4.4
181.01627	3.2
181.05049	5.3
182.02222	7.0
189.28848	2.8
191.07129	3.3
193.05070	13.1
195.06744	4.5
197.04579	5.2
198.04890	6.2
207.06839	3.8
221.13573	2.8
223.09857	4.0
229.98506	3.1
235.06128	4.4
254.06607	3.4
257.98117	4.2
285.97556	26.0
286.98325	6.2
297.11191	5.9
300.99841	7.8
309.08884	4.1
310.04266	2.8
313.05740	8.2
313.97104	4.4
314.97830	31.1
315.12415	100.0
316.12772	3.8
317.99094	2.8
327.08826	5.0
328.95728	4.0
328.99442	58.7
330.00140	37.5
344.01675	9.5
345.02560	53.2
345.09326	5.4
345.13461	80.2
346.02823	3.5
346.13629	5.3
423.40424	3.5
507.07849	34.8
507.11719	17.7
507.20016	62.8
507.27850	6.4
508.20349	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	507.1512
Annotation	Eurostoside
Peak:m/z	Relative Intensity
59.01378	1.5
65.58240	0.5
71.01393	1.3
71.56555	0.5
72.99316	40.2
74.99118	0.7
89.02467	0.5
120.99654	0.9
121.02949	0.6
125.02435	0.8
136.60454	0.6
138.01958	1.7
169.01503	0.8
179.84860	0.6
195.08215	1.8
209.09741	6.9
211.07574	0.6
221.09735	30.6
222.10028	1.5
225.09222	3.0
226.72134	0.6
236.08493	1.0
237.09212	10.7
239.07077	1.4
253.08698	2.5
265.08719	10.5
271.09772	2.5
278.00021	0.6
281.08188	6.2
283.09833	1.7
299.09409	1.5
309.07700	12.7
309.11252	0.8
310.07965	0.8
314.23276	0.6
327.08759	39.8
328.09161	3.1
340.20743	0.6
345.09811	100.0
346.10138	7.2
387.11163	1.2
409.38986	0.7
507.15106	16.5
508.15332	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20761	0.9
59.01389	2.3
63.98625	1.0
69.91766	1.7
69.92166	2.7
71.01376	1.7
72.99335	1.0
75.00885	5.0
87.00885	20.8
90.96654	1.0
99.00889	3.1
101.02457	1.8
105.01951	22.2
114.57555	1.0
125.37072	0.9
129.01933	1.4
135.03047	1.2
147.03041	3.2
165.04065	100.0
166.04314	1.8
301.55600	1.1
379.45642	1.1
384.04846	0.9
465.55948	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	50.2
61.98827	1.1
69.27332	7.7
71.01395	13.3
83.01376	1.3
85.02952	2.7
87.00874	1.9
89.02457	9.7
93.03467	30.2
95.01389	1.7
101.02457	9.4
107.05048	1.0
108.02141	1.4
113.02463	5.1
119.03504	3.3
119.04997	0.9
121.02963	1.1
123.00926	1.7
125.02444	3.5
133.06599	3.0
134.03687	1.1
135.04512	2.2
136.01672	10.8
137.02460	70.0
138.02756	1.5
139.00391	1.8
145.02980	2.0
147.08139	1.5
149.02382	0.9
151.04019	4.3
163.11305	34.3
164.98367	1.0
169.01454	3.8
174.24969	0.9
177.05667	1.0
179.03514	33.9
180.02155	0.8
180.03772	1.0
182.99332	2.5
192.36032	0.8
192.68546	0.8
209.04552	4.7
235.06094	1.6
239.05630	17.1
299.07797	1.4
361.07883	1.1
361.16550	3.7
369.15634	4.7
387.16632	87.4
388.16983	6.5
447.16663	5.3
452.85037	0.9
489.17892	1.7
507.11707	8.1
507.18710	100.0
508.19189	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	507.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.0
59.01387	62.0
61.98838	2.8
69.30166	11.2
69.30502	2.3
71.01390	18.0
72.99329	1.7
73.02967	2.7
73.54729	1.1
75.00894	1.5
76.04329	1.3
83.01421	2.5
83.78391	1.0
85.02976	3.9
87.00890	2.3
87.15282	1.3
87.41424	1.1
89.02454	14.7
89.22511	1.0
93.03465	29.2
95.01393	3.1
96.96034	4.6
96.96947	2.0
98.19956	2.3
99.00896	1.3
101.02448	13.2
105.94910	1.3
107.01457	1.8
113.02456	6.6
119.03519	5.5
119.05025	3.5
121.03012	1.9
123.00902	4.8
124.01664	1.7
125.02495	6.8
132.02161	2.4
134.03766	1.9
135.04544	3.0
136.01671	8.2
137.02460	67.7
137.82106	1.0
138.02817	2.3
139.00395	1.7
145.02975	2.5
149.02434	1.3
151.04028	3.8
154.01529	10.7
154.02654	2.3
155.01849	3.5
157.59225	1.2
159.68617	1.2
160.01653	10.8
161.02370	1.4
161.04572	1.4
163.04015	2.8
163.11317	6.0
163.67151	1.4
165.01965	1.4
166.02776	1.4
167.03532	3.6
168.00667	1.2
169.01472	9.9
169.05096	2.1
171.58101	1.3
175.04013	11.8
179.03517	23.5
179.05006	2.2
193.05101	2.4
195.03073	2.3
207.10277	10.4
209.04651	3.2
239.05611	12.2
300.99930	2.8
337.09454	2.7
345.06219	3.3
369.15591	3.6
387.16632	79.3
388.17136	4.8
416.11713	1.4
447.10718	1.8
447.16266	6.4
447.26166	2.4
507.10965	8.3
507.18851	100.0
508.19104	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	507.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.3
69.03461	1.7
71.01385	5.4
71.19807	1.1
72.99326	1.3
79.01900	2.0
85.02966	2.3
89.02440	2.4
90.42039	1.1
95.01388	3.2
95.78016	1.0
101.02451	2.8
107.01400	7.9
111.00891	1.8
113.02475	3.0
117.03455	2.4
123.00890	21.2
124.01727	1.8
125.02460	38.4
133.02975	2.8
133.06607	2.6
134.03755	24.6
135.04495	3.3
137.02420	4.2
139.00366	5.6
141.01964	2.2
145.03023	1.2
147.04539	4.8
148.05341	2.8
149.06102	5.6
151.00362	12.6
153.01952	2.9
160.01653	9.5
161.02412	4.1
165.01929	1.1
168.00618	4.6
169.01442	60.5
170.01807	1.6
175.04018	16.7
176.04800	10.0
177.01912	2.0
178.02745	1.9
179.03502	4.7
183.03004	3.8
191.07138	15.0
192.04327	1.2
192.07489	1.1
193.01364	1.4
193.05089	24.3
207.06644	3.6
211.02502	11.3
217.04863	1.1
220.03883	1.2
221.04607	2.3
235.06136	22.8
251.05565	2.8
265.07196	4.6
271.04648	1.2
281.06747	3.0
295.08301	10.4
313.02600	1.1
313.05609	5.7
323.07693	8.1
331.06534	1.6
337.09207	1.8
341.08829	1.5
344.12491	1.6
345.12314	1.2
355.10406	1.9
409.38449	1.1
447.09476	2.0
507.11533	100.0
507.19073	3.7
508.12000	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	507.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68991	0.7
59.01377	1.1
60.39059	0.6
64.13277	0.6
71.20783	1.8
89.49287	0.8
90.12222	0.7
130.62384	0.7
157.43066	0.7
164.18030	0.7
230.99417	1.2
241.98862	1.0
285.97589	8.8
286.98346	4.9
299.99225	1.2
300.99924	7.4
302.00696	1.0
311.99045	1.1
312.99808	1.4
313.97086	22.6
314.97821	51.8
315.97995	2.5
328.99408	30.8
330.00174	57.8
331.00571	2.8
343.97711	1.4
344.01697	13.6
345.02524	66.0
346.02917	5.0
492.05374	1.6
507.07809	100.0
507.57593	0.9
508.08228	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	507.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06871	0.2
59.01388	1.2
61.98840	0.4
67.01898	0.4
69.03466	1.9
69.95076	0.9
71.01391	0.5
72.99349	0.3
75.00880	0.2
79.01890	0.3
81.03478	0.9
85.02975	0.3
88.98817	0.3
89.02439	0.4
93.03467	0.2
95.01409	0.4
97.02977	1.4
101.02479	0.5
107.01390	0.5
109.03077	0.2
110.71378	0.2
119.05036	0.4
119.08440	0.2
121.02991	0.3
123.00916	0.5
124.01682	0.8
125.02464	59.9
126.02751	1.2
131.37093	0.2
134.03770	0.3
137.02426	0.3
160.01660	0.6
161.02431	0.3
168.00671	0.4
169.01447	100.0
170.01797	2.2
175.04050	0.6
194.24339	0.2
199.20689	0.2
201.50948	0.2
203.19173	0.2
211.02473	0.3
265.09204	0.2
268.03827	0.4
300.99939	0.3
313.05859	0.2
329.72583	0.2
331.06628	0.3
370.25867	0.3
507.11691	1.1
507.19028	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65984	7.2
59.01373	37.0
69.27878	49.7
69.28297	21.6
71.97471	8.1
78.95897	12.6
89.15723	8.5
116.35351	7.5
121.02887	8.3
152.99548	11.1
204.14706	9.0
277.21762	100.0
279.23318	13.2
280.23648	36.6
505.25589	19.3
505.35110	12.7
516.08685	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	505.3546
Annotation	Sodwanone L
Peak:m/z	Relative Intensity
59.01387	5.0
61.98830	1.0
71.01396	1.7
73.02952	1.8
89.02490	0.7
101.02469	1.2
108.02232	0.6
108.85202	0.4
113.02483	0.7
125.02460	0.6
138.02010	3.1
147.04567	0.6
161.04620	0.6
169.01494	0.5
205.39027	0.4
243.10329	0.5
285.04077	0.5
299.16537	0.9
342.14670	0.6
343.15488	3.0
343.28607	0.4
409.31735	0.4
423.33337	0.5
459.32861	0.8
461.32773	0.5
483.99823	0.4
487.30609	0.7
505.20618	4.8
505.35425	100.0
506.20926	0.5
506.35745	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	506.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	0.3
59.01379	2.2
61.98832	1.2
71.01389	1.7
71.57487	0.5
73.02966	1.0
83.01386	0.4
83.42871	0.3
85.02972	0.5
87.00848	0.3
89.02467	0.5
101.02463	0.9
108.02188	11.5
113.02451	0.5
121.03026	0.4
135.11813	0.5
138.01988	100.0
139.02348	2.0
150.03262	0.3
151.02774	0.6
160.04031	0.3
161.04539	0.4
161.09737	0.7
162.83981	0.7
169.47346	0.3
179.10806	2.3
223.09758	0.4
243.79652	0.3
250.23454	0.3
289.10815	0.4
309.20825	0.9
367.14008	1.1
385.81631	0.3
409.30331	0.4
487.33328	3.8
488.33514	1.5
505.35211	4.7
506.35516	4.0
507.35562	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40935	2.5
59.01377	3.6
63.61269	2.5
69.24680	14.5
69.25082	5.9
72.95085	2.3
78.95910	20.6
98.20661	4.7
152.99586	27.6
227.03308	3.8
277.21741	100.0
278.21979	4.6
279.23294	6.1
280.23688	15.9
421.48517	2.8
505.25543	47.1
505.32452	3.4
506.26086	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	505.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	31.3
70.09114	10.7
71.56756	14.2
75.71682	10.7
84.06841	10.9
88.42570	10.7
95.63300	10.9
96.96024	16.1
107.48347	12.0
107.74694	11.4
109.94107	11.9
148.80913	11.4
159.71506	11.0
164.53319	12.1
242.15393	13.3
287.86362	13.2
425.34375	76.3
435.78519	12.3
469.33246	100.0
470.33765	14.1
505.35071	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	505.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	42.8
68.55354	10.8
123.29631	11.2
153.11937	10.9
469.33432	100.0
470.33026	11.8
505.31860	31.4
505.35040	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25266	0.4
55.01896	0.5
57.03478	0.4
59.01378	6.5
61.98841	1.1
69.34309	2.2
69.34741	1.5
69.88229	0.4
71.01382	3.5
72.99333	0.5
73.02951	0.7
73.24773	0.4
83.01382	0.7
85.02984	1.1
89.02470	1.3
91.01891	0.5
93.03484	2.8
95.01411	0.8
101.02465	1.2
108.02216	1.5
109.02962	18.7
111.00893	2.3
113.02483	1.6
117.03483	0.4
119.03483	0.6
119.05006	0.7
121.02935	0.5
123.00915	1.1
123.04537	1.7
124.01674	1.4
125.02437	0.9
135.04567	0.5
136.01685	1.0
137.02467	9.1
137.09761	1.5
138.03302	0.5
145.02942	1.9
149.02475	0.8
151.04044	2.8
152.01163	11.3
153.01950	28.3
155.10829	1.4
161.02469	0.8
163.04024	0.7
165.01892	0.4
167.03519	1.3
169.01363	0.6
179.03542	5.3
187.11267	0.6
195.03001	55.7
196.03343	1.8
199.09737	1.6
209.04652	1.3
212.03259	1.1
225.04114	2.5
239.05629	3.8
243.28032	0.4
255.05119	100.0
256.05429	3.0
315.07230	2.0
343.15503	1.4
364.09332	0.4
467.19345	0.7
478.26874	0.5
496.66852	0.4
504.34198	0.6
505.13525	2.3
505.20682	3.5
505.35135	0.5
517.31232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2576
Annotation	Amoritin
Peak:m/z	Relative Intensity
53.06540	1.1
53.91512	1.3
54.01698	1.4
59.01370	4.5
66.03342	1.1
71.27239	2.9
78.95912	26.8
98.67900	1.1
106.57909	1.0
152.99603	41.2
171.00687	1.8
227.03276	8.7
245.04190	1.5
277.21735	100.0
278.22058	5.1
469.33420	2.7
505.25790	63.1
505.33722	2.4
506.26205	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.172
Annotation	Campsiside
Peak:m/z	Relative Intensity
59.01385	1.6
61.98828	0.9
69.48898	2.8
71.01383	1.1
75.00896	0.3
78.95898	0.6
85.02972	0.7
89.02460	0.8
93.03493	0.6
95.01418	0.4
96.96015	1.6
96.96995	0.8
101.02478	0.5
108.02174	1.0
109.02959	1.5
117.03481	0.9
121.02964	1.7
122.03762	0.5
123.04524	1.6
125.02404	2.0
135.04535	5.2
136.01674	52.1
137.02467	19.4
145.02977	2.0
147.04518	0.7
151.04021	63.8
152.04413	1.8
153.01947	1.8
159.04530	1.6
160.04057	0.6
160.05304	1.5
161.02437	0.7
161.04745	0.6
161.06085	1.6
162.03149	0.5
163.04048	1.4
169.01408	1.4
175.07686	1.5
176.04816	1.2
177.05537	2.0
179.03503	1.3
180.78055	0.4
189.05612	0.7
191.07108	2.3
205.05093	0.5
206.87610	0.4
236.95815	0.4
255.02914	0.6
268.07504	0.6
271.02441	0.8
282.08942	0.5
283.09869	0.7
297.11349	0.5
300.02692	0.9
307.08298	0.9
311.09955	0.5
313.10721	0.5
328.09567	0.4
343.11877	100.0
344.12216	6.2
415.15158	0.7
417.15936	0.5
505.10529	1.8
505.16873	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	505.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22317	0.3
50.28633	0.4
51.30902	0.2
59.01383	1.1
65.69668	0.3
70.31617	0.4
70.31975	0.9
94.58376	0.3
97.30038	0.3
112.35582	0.3
121.02970	100.0
122.03301	2.1
175.89151	0.3
180.05772	0.5
181.06625	3.6
186.81883	0.3
197.06125	2.8
207.04568	1.1
207.08101	0.5
216.08130	0.3
223.04099	0.6
225.05630	2.5
251.07294	0.5
257.09827	1.1
269.08051	0.4
285.04202	0.7
301.08490	0.4
313.07153	5.8
357.06168	1.2
373.10797	0.4
383.07770	1.3
413.34546	0.3
417.09805	10.6
418.10184	1.2
433.09329	0.4
461.12637	0.6
472.34625	0.5
487.34171	0.6
504.34036	1.2
505.11465	8.0
505.34558	1.0
506.11896	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40821	0.4
58.80171	0.4
59.01388	1.9
61.98826	0.8
67.01888	0.4
69.03448	0.5
69.24918	3.9
71.01394	1.0
72.99327	0.6
75.00877	0.5
83.01408	0.6
85.02979	0.9
89.02451	0.5
96.96023	1.2
96.96976	0.6
97.02950	0.4
101.02477	0.8
108.02203	1.0
109.02974	1.7
113.02487	0.8
114.20430	0.4
117.03533	1.0
121.02982	1.8
122.03737	0.8
123.00895	0.7
123.04548	2.0
125.02476	2.6
134.03767	0.4
135.04546	5.8
135.51839	0.4
136.01680	54.9
137.02470	21.5
138.02823	0.6
145.02956	1.9
146.03658	0.5
147.04524	1.0
151.04025	66.2
152.04388	1.5
153.01974	2.3
159.04568	2.5
160.04115	0.5
160.05328	1.8
161.02473	0.5
161.06099	2.0
162.03203	0.6
163.04063	1.4
169.01447	1.2
175.07658	1.8
176.04796	0.9
177.05579	2.0
179.03549	1.5
187.04039	0.5
189.05585	1.0
191.07156	1.8
198.33397	0.4
205.04932	0.5
252.94693	0.5
271.02570	0.5
282.09055	0.8
297.11569	0.5
300.02750	0.8
300.99976	0.6
301.03384	0.6
307.08411	0.8
313.10880	1.2
343.11890	100.0
344.12198	6.4
359.09897	0.5
382.74506	0.4
415.15045	0.9
505.10687	1.4
505.18179	2.5
505.25424	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1006
Annotation	Quercetin 3'-glucoside-7-acetate
Peak:m/z	Relative Intensity
55.01903	0.6
57.03450	0.7
59.01385	13.4
61.98833	3.8
71.01388	8.9
71.57689	0.9
72.99303	0.6
73.02950	3.1
81.03478	1.1
83.01436	0.7
85.02975	2.1
89.02449	5.4
91.01916	0.9
92.02229	0.5
93.03469	17.5
95.01424	0.5
97.02965	1.3
99.00909	2.0
101.02457	6.0
104.25735	0.5
107.01432	1.8
108.02197	1.2
111.00908	0.9
113.02499	1.4
115.04073	1.2
119.05072	1.9
121.02980	10.8
123.00921	1.4
123.04582	0.6
125.02464	4.4
126.02846	0.7
128.72929	0.5
131.03522	1.0
134.27618	0.5
135.04572	0.9
137.02487	4.2
138.02008	6.7
139.00383	3.5
143.03531	0.6
145.02977	1.6
149.02486	2.4
149.04561	2.2
149.99576	4.0
151.00404	5.9
153.09067	0.6
161.02452	1.3
161.04587	1.2
163.04034	0.9
165.01944	0.8
166.02736	3.0
167.03535	3.3
168.00668	0.7
169.01321	1.7
171.04543	4.5
179.03539	1.9
181.01503	0.9
183.02971	1.0
189.01970	0.9
191.03883	0.6
191.05598	0.8
193.01457	2.2
198.03273	0.8
199.04106	3.6
203.03503	0.8
208.99622	1.3
210.99240	6.2
215.03488	0.9
217.01506	0.6
217.05128	0.8
227.03569	2.8
233.06673	1.2
239.05550	1.1
241.05116	1.7
243.06685	0.7
245.04524	5.4
253.00432	0.9
255.03091	1.8
259.02451	1.0
269.04633	1.7
271.06320	1.0
285.04050	2.5
286.04843	14.2
287.05496	3.4
293.08853	1.8
297.04056	1.3
299.02066	0.7
305.15869	0.6
313.03568	14.3
314.04160	4.4
315.05133	60.4
316.05316	2.8
342.03778	2.4
343.04611	73.3
344.05063	4.6
359.34384	0.7
430.10971	0.7
445.33188	0.6
477.10321	0.8
504.34259	11.1
505.09915	100.0
505.20209	3.5
505.35153	9.4
506.10370	9.7
506.18314	1.0
506.20764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
51.15916	0.4
51.53947	0.3
54.70819	0.4
57.03458	0.8
59.01378	1.1
71.27426	0.8
75.77309	0.4
101.02487	0.4
105.46313	0.4
112.40079	0.4
163.47475	0.4
409.30951	0.6
435.29013	1.4
437.30630	4.4
439.22946	0.4
439.32062	0.5
441.33826	1.3
453.30179	0.9
457.33093	1.0
459.34845	2.2
467.31702	4.8
468.31934	0.9
469.33569	8.7
470.33926	1.0
473.31671	0.6
485.33429	0.7
502.32193	0.7
503.33633	100.0
504.34070	8.3
513.32172	4.0
514.33105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41064	0.6
59.01389	1.2
61.98839	100.0
64.68235	0.7
69.26818	0.5
71.65211	0.5
78.95922	1.4
81.26566	0.5
125.19711	0.6
125.60667	0.5
152.99625	2.4
227.03368	0.8
277.21704	6.3
316.39874	0.5
337.71085	0.6
440.74826	0.7
469.33249	1.4
504.33829	2.6
505.25311	4.3
533.27936	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.6
59.01376	0.7
71.01378	0.3
71.19073	0.4
71.19402	0.3
85.02905	0.2
87.04529	0.7
119.31892	0.2
128.34795	0.2
150.89816	0.2
173.00662	0.2
175.02336	0.2
193.67151	0.2
198.80310	0.2
214.08566	0.2
238.48405	0.3
307.24323	0.4
391.30035	0.3
405.28217	0.3
407.29669	1.2
425.30597	0.7
439.31995	0.4
441.34064	1.2
442.26312	0.3
459.30917	0.4
485.32706	0.8
503.33835	100.0
504.34180	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	503.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12868	0.2
54.64967	0.3
56.02071	0.2
57.03436	0.2
61.36703	0.2
69.32851	2.1
71.05033	0.8
73.02966	0.4
74.57851	0.3
76.36954	0.3
77.71158	0.2
83.05011	0.3
85.90071	0.3
92.82059	0.3
111.04581	0.2
136.16536	0.3
152.33414	0.3
157.17792	0.3
169.42513	0.3
178.62643	0.3
186.67188	0.2
387.28995	0.4
391.30115	0.3
409.31348	0.4
410.62329	0.3
419.29727	0.6
421.31226	1.0
439.32172	0.8
441.33795	0.8
443.31848	1.2
446.52036	0.3
457.32672	0.3
459.35107	1.3
471.31317	0.4
485.32797	15.3
486.33102	1.5
503.33844	100.0
504.34204	8.8
504.39777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82618	0.3
66.06193	0.2
73.04080	0.3
102.51932	0.3
109.02955	0.4
111.61523	0.2
119.84474	0.2
136.16403	0.3
302.16867	0.3
362.28430	0.3
406.33990	0.3
485.32764	0.7
503.33813	100.0
504.34158	8.9
504.39807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10510	0.4
51.30589	0.5
57.03449	2.2
58.27559	0.4
58.54952	0.4
58.62721	0.4
59.01390	0.9
59.34212	0.5
61.98851	0.5
62.58329	0.4
69.35929	1.5
69.36358	1.9
71.01389	1.0
73.02956	8.4
83.05021	0.5
85.16290	0.4
87.00908	0.8
88.89362	0.5
119.08627	0.8
208.30589	0.4
225.41864	0.4
306.31461	0.4
307.24350	0.5
341.13895	0.7
341.26971	0.5
357.25888	1.1
373.28979	2.6
374.29355	0.6
375.26898	0.7
391.30017	1.4
407.30060	0.5
435.28989	2.0
437.30740	0.5
439.32205	13.7
440.32477	0.7
441.34021	0.8
453.29843	0.7
455.28207	1.4
467.31882	0.7
471.31027	2.2
483.31177	2.0
485.32764	74.3
486.33145	7.2
492.72067	0.6
503.33850	100.0
504.34158	9.2
529.31573	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90753	0.5
57.03449	3.3
59.01388	1.3
71.01408	1.4
71.02393	1.0
73.02954	7.7
84.84126	0.6
105.13013	0.6
109.60963	0.5
128.39586	0.5
141.78490	0.5
147.04341	0.5
353.82159	0.6
389.28375	1.7
392.27185	2.6
407.29544	10.6
409.31165	1.2
419.29944	0.9
421.31082	0.7
439.32095	1.7
453.30173	2.5
455.28311	0.8
485.32751	51.8
486.33115	6.1
503.33823	100.0
504.34113	9.6
504.41064	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3385
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
58.00520	1.1
59.01315	0.8
65.50885	0.7
68.06123	0.7
69.43298	2.5
69.43722	2.9
71.01328	0.8
71.04946	1.0
74.20687	0.7
97.06489	1.7
103.97443	0.7
176.65125	0.9
191.14114	1.0
193.15820	2.0
237.14790	1.5
261.18387	1.4
389.28278	3.6
405.31952	0.8
406.28735	5.3
407.29572	1.9
421.31201	3.7
423.32779	9.2
424.32895	1.5
425.30554	2.1
441.33551	2.4
443.31458	1.7
455.31781	1.3
457.33203	1.7
459.34796	7.8
469.33252	100.0
470.33557	10.6
485.32748	4.1
503.33871	67.7
504.34232	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	503.3386
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
50.68678	0.3
57.03458	0.5
58.01646	0.2
59.01385	2.6
60.99293	0.5
61.31370	0.2
61.98848	1.1
63.97525	0.2
71.01397	1.4
73.02943	0.5
75.00842	0.2
85.02921	0.3
89.02448	0.8
95.01405	0.2
96.96021	0.6
97.02959	0.9
101.02458	0.8
111.00911	0.2
113.02503	0.3
125.02432	0.6
145.02998	0.7
147.04362	0.2
147.11980	0.2
152.05083	0.2
152.07187	0.3
163.06131	0.9
169.01465	0.3
206.99861	1.0
250.58441	0.2
258.33554	0.3
266.79025	0.2
293.23032	0.2
295.10327	0.8
337.25497	0.4
353.24945	0.3
356.09033	0.3
363.27167	0.4
365.24890	0.3
371.11188	0.4
377.28558	0.4
379.30017	0.9
391.29980	0.7
393.31769	0.4
407.29248	0.3
409.31149	3.1
417.26590	0.4
421.31366	1.5
423.29492	0.3
443.17227	0.3
460.19003	0.4
485.32773	1.2
503.33832	100.0
504.19000	0.3
504.34244	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	503.3385
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
57.88386	0.3
59.01376	2.0
61.98842	1.1
71.01390	1.1
72.02174	0.3
73.02948	3.4
77.84551	0.3
101.02442	0.3
113.02477	0.4
119.03462	0.4
136.01701	0.8
151.04065	1.1
183.01228	1.3
183.02736	0.3
195.06516	0.3
197.02759	5.3
198.03537	0.4
321.20734	0.5
323.16898	0.8
341.06528	0.5
341.17978	1.5
354.57196	0.3
443.31570	0.4
459.34888	0.5
485.32825	0.4
503.23544	14.7
503.33841	100.0
504.23260	0.9
504.34198	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	503.3386
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
58.00593	1.3
59.01382	2.4
61.82031	0.6
64.66393	0.5
70.71007	1.1
70.71381	1.1
94.75910	0.5
97.06603	1.8
101.47672	0.6
109.05729	0.7
149.01584	0.6
180.22871	0.6
211.95123	0.7
217.15967	1.1
229.85422	0.6
256.39548	0.7
268.22885	0.6
387.30798	0.8
389.28485	2.7
397.31155	0.8
406.28842	7.2
407.29477	1.4
413.30557	2.9
421.31543	3.0
422.31345	0.8
423.32849	10.0
424.32770	1.0
425.29773	1.1
425.34961	0.8
439.32169	2.6
441.33624	3.8
443.31778	1.5
448.54843	0.7
455.31665	0.8
459.34583	1.1
469.33255	100.0
470.33588	10.9
485.32730	2.7
503.33862	20.8
504.33963	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3384
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
56.10085	0.1
59.01374	0.2
66.17549	0.1
66.80447	0.1
69.33506	0.9
71.05022	0.1
78.35623	0.1
79.91548	0.1
98.19827	0.1
99.24427	0.1
121.75963	0.1
149.59044	0.1
278.76813	0.1
377.28427	0.2
407.29446	0.5
441.34103	0.2
455.31836	0.4
459.34888	0.2
485.32932	0.2
503.33792	100.0
504.34140	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	503.3381
Annotation	Yardenone A
Peak:m/z	Relative Intensity
50.45682	0.5
57.03462	1.2
59.01391	4.8
59.24038	0.5
60.99302	1.1
61.98840	2.9
69.03462	0.8
69.73967	0.6
71.01400	3.6
71.56776	0.9
73.02950	1.4
80.51975	0.5
85.02957	1.7
89.02462	2.2
93.03519	0.6
97.02983	0.6
99.00900	0.6
101.02457	2.0
113.02486	1.6
119.03516	0.7
122.06123	1.5
125.02444	1.0
135.04541	2.3
141.09178	0.7
145.02950	0.8
152.67218	0.6
158.38791	0.6
161.04601	1.2
169.01454	0.9
178.02808	0.7
178.21031	0.6
183.01254	1.8
186.02005	3.6
197.02768	10.6
198.03578	1.0
211.04349	1.8
218.04597	5.4
230.02513	1.1
234.76581	0.5
239.07487	0.5
279.10556	0.5
303.16156	0.9
304.15546	0.5
319.24283	1.0
323.16837	2.9
341.13992	0.8
341.17871	2.2
351.16772	0.8
409.31180	0.6
421.31119	1.8
439.32199	0.6
441.24091	1.0
441.33838	1.3
463.47049	0.6
473.22916	1.0
485.22958	4.2
485.32877	1.3
503.23312	40.8
503.33725	100.0
504.24185	3.4
504.34262	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	503.3385
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
50.38040	0.5
57.03453	0.7
58.00592	0.6
59.01396	3.5
70.67429	1.2
70.67770	0.5
71.01378	0.9
71.05022	0.8
72.92786	0.4
89.12602	0.5
98.43756	0.5
101.02358	0.5
101.06102	1.7
115.89977	0.5
134.88268	0.5
158.86487	0.5
293.22763	2.2
301.00021	0.6
307.24280	2.0
403.26318	0.9
404.27423	0.8
413.30411	0.9
419.29517	3.2
421.31314	1.3
439.32336	2.1
440.32565	0.6
443.31638	0.6
455.28070	0.8
483.31311	2.2
485.32776	100.0
486.33228	11.4
503.34192	23.5
504.34506	2.8
529.31726	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	503.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
61.95646	0.3
66.25642	0.3
70.79588	0.8
89.87015	0.2
92.63332	0.3
123.28868	0.3
128.98679	0.3
147.77960	0.3
164.37929	0.3
407.29218	0.4
423.32657	0.6
437.30667	0.9
441.34106	0.5
442.34549	0.3
457.33228	0.5
459.34781	1.7
467.31882	0.4
469.33609	2.3
485.32434	1.0
503.33832	100.0
504.34201	12.2
513.32361	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.25
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.01878	3.6
56.49744	0.4
57.03454	3.1
58.00591	1.6
59.01387	30.7
69.03457	1.6
69.30442	1.7
69.30867	1.3
71.01391	49.0
72.01736	0.6
72.99311	1.7
73.02958	19.4
75.00895	1.1
81.03458	0.7
83.01397	6.9
84.02158	0.4
85.02963	21.2
86.00086	0.7
87.00880	3.0
89.02457	18.5
95.01408	3.6
97.02956	3.2
99.00889	11.0
99.04565	0.7
101.02456	39.8
111.00890	0.9
113.02462	16.0
115.04057	2.2
119.03488	2.8
120.66988	0.3
125.02457	4.9
129.01935	0.9
131.03494	3.2
137.09770	0.5
143.03502	2.8
149.04584	3.9
159.03023	3.0
161.04581	16.2
177.89061	0.4
191.05608	1.4
209.15500	7.7
212.52113	0.4
215.05650	0.4
233.06715	3.3
265.68951	0.4
293.08768	1.9
340.03867	0.4
341.03128	1.0
371.20755	48.5
372.21017	3.8
380.48083	0.5
503.25034	100.0
504.25424	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	503.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01384	1.7
61.98829	1.1
70.87025	0.6
71.01395	0.9
73.02946	1.8
87.25828	0.4
101.02509	0.5
109.06531	0.4
110.65324	0.4
119.03519	0.4
129.40533	0.4
152.86192	0.4
155.04312	0.4
341.27026	0.5
355.94821	0.4
371.25040	0.4
376.16461	0.4
387.44037	0.4
409.31168	0.6
421.31204	0.8
439.31906	1.2
441.34372	0.9
455.31396	0.6
456.32336	0.8
457.32281	3.8
459.30408	0.5
471.31470	1.1
485.32852	3.5
502.32626	3.8
503.33655	100.0
504.34109	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	503.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	6.2
57.03465	5.8
58.00581	2.8
59.01389	52.1
60.01672	1.2
61.98827	5.7
62.96646	1.3
65.73565	1.0
69.03442	2.8
69.52152	8.2
71.01390	68.2
72.99306	4.1
73.02952	23.6
75.00871	3.2
75.08415	1.1
83.01402	10.5
84.77810	1.0
85.02956	30.1
87.00888	6.1
88.98794	1.8
89.02454	26.4
93.03450	2.8
95.01390	5.9
97.02955	5.1
99.00884	13.0
99.04572	1.6
101.02451	53.4
111.00868	2.0
113.02464	26.6
114.02769	1.1
115.04003	3.0
117.03457	9.1
117.05521	1.3
119.03487	3.8
119.05035	7.4
121.02948	1.6
122.03778	1.7
123.04517	1.5
125.02473	9.4
129.01967	2.1
130.08740	18.7
130.57126	1.1
131.03488	4.1
131.09094	2.1
133.02945	3.7
133.06610	1.6
135.04546	9.1
135.06633	1.7
135.11848	2.0
136.21608	1.1
137.02478	1.5
143.03494	3.9
145.02959	37.2
149.04578	4.2
150.03235	25.1
151.04016	2.1
159.02979	3.8
161.02528	12.4
161.04549	26.2
161.05908	2.6
161.09683	2.1
162.03293	5.7
163.04059	7.1
164.04819	6.2
165.05588	17.3
165.12878	1.4
169.01428	5.1
170.01749	1.5
174.52959	1.3
177.05598	10.1
179.03535	7.7
179.05710	1.3
179.07155	4.3
179.10785	9.7
180.04233	4.8
191.05617	2.3
195.06630	20.0
197.08237	2.1
205.05077	2.2
209.15482	8.3
221.04706	1.9
223.09798	2.6
233.06598	4.0
251.05618	1.7
265.07303	2.6
281.06689	3.0
293.08728	1.9
294.70749	1.2
297.11859	2.6
300.99796	1.6
307.08276	22.7
311.02902	1.2
323.07498	2.3
326.08054	2.1
341.03036	1.9
341.09549	2.9
371.20776	72.5
372.21021	5.7
467.18750	1.4
467.24911	3.8
485.14362	1.6
503.25003	100.0
503.33655	18.0
504.28021	12.7
527.60004	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1562
Annotation	Umbilicaxanthoside A
Peak:m/z	Relative Intensity
57.74755	0.2
59.01368	0.4
61.98820	0.3
66.24702	0.2
67.01881	0.2
69.03461	3.8
69.03809	0.3
71.01408	0.4
84.02193	0.3
85.02951	0.3
87.88236	0.2
93.03470	1.3
95.05045	0.3
108.02162	0.6
109.02974	2.1
110.03288	0.3
115.96629	0.2
117.03487	0.4
119.05043	1.3
121.02969	7.2
122.03773	2.7
123.04539	7.2
130.04274	0.2
131.05057	0.2
133.02989	0.3
133.06616	0.4
134.03775	0.4
135.04546	1.7
137.01472	0.2
137.02461	3.0
143.05055	0.7
145.02963	1.3
145.06618	0.2
145.07964	0.2
146.03778	0.2
147.04543	2.8
149.02458	1.1
154.02699	0.2
158.03751	0.7
159.04529	1.4
160.05280	0.7
161.02483	1.4
161.06067	0.8
163.04042	0.3
165.05586	0.9
169.01479	0.2
171.04555	1.1
173.06087	0.7
174.03252	0.2
175.04013	3.4
176.04797	20.1
177.05185	0.7
187.04073	0.4
189.05595	0.9
191.07130	0.2
193.05217	0.2
196.20261	0.2
196.45808	0.2
211.06145	0.4
237.09154	0.2
238.69647	0.2
252.07857	0.4
253.08743	0.2
263.07108	1.7
264.07834	1.4
265.08801	1.4
272.55377	0.2
275.07205	0.2
281.08206	0.5
283.09821	0.3
291.06717	0.3
292.07281	0.9
293.08203	2.5
295.10226	0.2
311.09253	3.4
323.09326	1.4
339.08398	0.2
341.10306	100.0
342.10651	6.3
394.95248	0.2
417.90305	0.2
436.38904	0.2
467.19165	1.1
502.32297	0.5
503.15564	1.9
503.33844	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	502.1005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39507	0.4
53.39392	0.3
54.41737	0.3
58.66865	0.3
59.01390	1.7
61.98837	0.5
68.84713	0.4
71.01385	2.2
71.56348	0.4
73.02959	0.8
74.02479	0.5
75.00855	0.4
83.01399	0.4
83.22385	0.4
85.02966	0.5
89.02470	0.6
96.96059	0.4
99.92595	0.8
101.02465	1.1
109.02960	12.1
113.02480	0.9
114.61407	0.4
115.04029	1.0
116.03548	1.5
116.04320	0.5
116.05076	3.9
116.07144	0.9
116.92872	6.9
117.01966	0.8
123.00929	1.1
125.02444	2.5
140.43507	0.4
151.00345	0.7
153.01958	21.1
154.02304	0.6
159.03270	1.1
160.04053	100.0
161.04410	3.4
169.01434	3.1
170.01833	0.7
195.03064	0.6
204.03059	2.3
207.02971	0.4
229.69511	0.4
236.07367	0.5
236.83589	0.4
288.48001	0.4
297.06168	29.5
298.06500	1.4
300.99884	0.7
322.09216	1.2
366.08307	13.4
367.08566	0.7
458.10959	6.7
459.11124	0.8
502.09879	23.4
502.16309	1.2
503.10129	2.0
503.17734	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	501.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	6.7
59.01379	3.2
61.12305	1.1
70.79584	3.2
83.05030	1.8
191.14436	1.8
239.96411	1.2
259.16357	1.0
266.23627	1.2
278.35605	1.3
307.24567	1.4
308.98962	1.2
374.26004	2.0
389.28433	3.8
391.30316	6.0
393.31717	6.6
405.31631	1.6
407.29681	1.8
421.31143	3.4
423.28510	2.0
425.30569	1.3
435.29086	16.5
437.30649	75.0
438.30707	6.4
439.32193	4.0
451.32376	2.4
457.33325	12.9
467.31696	49.4
468.31961	4.3
469.33636	100.0
470.33817	8.8
483.31039	6.3
501.31323	38.2
502.31763	5.4
513.32239	45.1
514.32532	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	502.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33400	1.4
57.57070	1.3
61.98834	12.3
69.58828	3.3
69.59238	5.9
71.01390	3.1
75.47355	1.3
75.78608	1.4
90.71561	1.5
97.02942	1.7
97.34322	1.4
101.02480	1.7
106.77647	1.5
107.01381	4.1
108.07172	1.7
123.00905	6.2
125.02466	42.6
132.24535	1.6
135.29686	1.3
138.99345	1.5
139.00357	2.8
151.00394	4.5
169.01450	75.9
170.01810	1.9
211.02493	2.0
241.03639	4.7
313.05731	16.6
398.33746	1.5
439.08862	100.0
440.09280	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	501.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01807	0.9
57.03443	4.4
59.01377	3.3
62.55738	1.0
63.64499	0.9
71.05020	2.3
71.57492	1.4
86.87400	1.1
95.05052	1.2
97.06600	2.2
121.06565	0.9
240.44217	1.0
261.19659	1.0
265.21658	1.5
389.80817	1.2
423.32700	5.7
425.57324	1.1
439.32553	1.9
457.33160	2.2
467.31467	4.6
469.33249	100.0
470.33502	10.7
501.31198	17.5
502.32413	1.9
513.32208	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	501.3592
Annotation	Lamesticumin A
Peak:m/z	Relative Intensity
53.40479	0.3
55.50350	0.2
58.00586	1.1
59.01379	0.7
71.01424	0.4
71.03883	0.3
73.02959	0.4
97.06596	1.3
153.09297	0.3
241.61604	0.3
259.79630	0.3
277.21820	0.9
374.26434	0.5
381.28320	0.5
387.30939	0.4
389.28510	3.9
390.28876	0.5
393.31998	0.4
403.30139	0.3
405.32150	0.4
406.28769	4.6
407.29407	1.5
421.31290	2.8
423.32806	9.9
424.32889	1.1
439.28021	0.9
455.31586	0.6
457.33408	0.9
469.33246	100.0
470.33582	10.4
501.35938	3.9
502.33145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3587
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.9
66.29891	1.0
70.57443	3.0
71.01396	1.2
71.05035	1.2
76.31759	0.9
86.85629	0.9
97.06586	1.3
196.05124	1.2
209.75368	1.0
237.14925	2.8
385.31122	1.4
417.60373	1.3
423.32736	13.9
424.33322	1.2
437.30417	1.2
439.32205	2.8
453.30209	1.5
455.31689	2.0
457.33218	4.2
469.33249	100.0
470.33600	10.2
483.31314	5.5
501.32019	33.7
502.32645	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	501.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57170	0.2
57.03423	0.3
59.01339	0.6
61.98814	0.4
71.01377	0.4
73.02956	4.0
92.96896	0.2
97.39230	0.2
139.07619	0.2
143.68460	0.2
187.08145	0.2
191.14333	0.3
192.79054	0.2
200.62540	0.2
215.14296	0.3
280.22360	0.2
321.20749	0.4
349.25418	0.5
373.25162	0.2
377.24893	0.4
379.26328	0.3
389.28625	0.5
391.26355	0.9
393.28009	0.4
405.28180	0.6
407.29688	4.3
408.29941	0.3
409.31326	0.6
421.27283	0.4
423.29153	2.5
425.26645	1.0
425.30725	1.1
437.30533	1.5
439.28049	1.6
441.30002	0.7
455.31689	58.4
456.32053	5.6
457.33224	2.4
501.32278	100.0
502.32645	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	501.3227
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
70.41768	0.5
70.42164	0.8
73.02953	1.1
83.05045	0.4
90.05704	0.3
98.20737	0.3
98.84940	0.2
99.30667	0.3
159.32283	0.3
239.04669	0.3
249.78406	0.3
321.21613	0.3
334.44937	0.3
342.04810	0.3
359.27432	0.4
361.24924	0.3
375.27008	0.5
377.95450	0.3
389.28555	1.0
391.26401	0.4
393.27795	0.4
403.26358	0.5
405.27902	0.4
407.29694	0.8
437.30792	1.6
442.97070	0.3
453.30142	0.4
455.31714	15.1
456.32181	1.8
457.33417	0.8
471.31104	1.1
501.32269	100.0
502.32608	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	501.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.3
59.01378	0.6
60.06401	0.2
61.54982	0.2
68.38082	0.2
69.48814	0.6
69.49225	0.8
71.01384	0.3
75.70432	0.2
87.04540	0.8
219.86899	0.2
226.57607	0.2
333.67099	0.2
341.24942	0.2
343.26581	0.4
363.26770	0.2
388.81052	0.2
389.28717	0.2
395.29898	0.3
407.29645	1.2
409.30975	0.3
411.32642	0.4
435.29025	0.6
439.32370	0.4
440.32291	0.2
453.29984	0.7
455.31714	4.4
456.32220	0.5
457.33316	5.6
458.33353	0.6
471.31482	1.2
483.31250	0.6
501.32266	100.0
502.32608	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	501.3225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57919	0.4
59.01372	0.4
69.34708	3.3
75.00872	0.5
78.03606	0.4
84.64746	0.4
87.04519	0.5
151.46938	0.4
330.59375	0.4
407.29755	0.6
409.27380	1.1
409.60291	0.5
421.31097	2.0
425.30838	1.1
437.30496	0.6
439.32077	1.5
453.30078	4.5
455.31659	6.7
456.31906	0.7
457.33441	4.0
458.33615	0.5
471.31076	3.0
472.31186	0.5
483.31168	2.9
501.32254	100.0
502.32672	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	501.235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
58.00587	3.2
59.01387	79.4
60.01711	0.9
60.79171	0.7
61.98827	2.5
62.29057	0.7
63.87518	0.8
67.01890	0.9
69.03461	1.5
69.32891	6.3
71.01390	53.6
72.99309	2.9
73.02950	16.9
79.01862	0.8
83.01381	1.5
85.02962	6.1
87.00885	1.7
89.02454	100.0
95.01378	1.9
96.95994	1.8
97.02959	2.0
98.19932	1.4
99.00889	30.3
101.02457	37.0
102.02816	0.9
107.01403	3.3
111.00887	2.2
113.02465	8.5
115.04022	1.2
117.03487	0.7
119.03476	3.3
123.00897	8.8
125.02449	17.4
130.08762	14.0
131.03511	20.7
131.09103	3.7
133.02937	3.0
135.04494	1.6
136.98799	1.1
137.02501	0.9
139.00359	2.4
140.01199	2.1
141.01936	1.2
143.03503	2.9
145.02968	1.0
147.47687	0.7
148.01727	0.8
149.02504	2.1
149.04567	61.7
151.00374	6.0
153.01941	0.8
161.02490	4.7
161.04514	3.2
168.00641	2.6
169.01451	17.4
173.08163	0.8
173.09956	0.8
177.01935	14.9
178.02254	1.0
187.09802	0.9
191.05632	15.0
211.02524	1.1
221.06641	3.7
251.07724	2.3
271.04507	1.4
293.08841	1.2
301.00311	1.1
301.03540	4.0
323.07611	2.1
325.12662	0.8
339.07382	4.0
501.10660	4.2
501.19659	48.1
501.25623	6.9
502.19922	3.8
502.26669	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	501.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.3
57.03461	1.2
58.00599	2.5
59.01385	74.9
61.98821	1.7
63.96252	0.7
69.26406	8.7
71.01389	54.3
72.99307	2.2
73.02947	15.4
75.62799	0.8
83.01382	1.8
85.02956	4.8
87.00870	0.8
89.02454	100.0
90.02820	1.2
95.01384	0.9
96.96016	5.4
97.02969	1.9
99.00262	1.9
99.00892	31.9
101.02452	43.3
107.01366	1.2
111.00916	1.0
113.02462	9.6
115.00345	1.7
115.04016	1.0
119.03489	2.4
123.00894	3.0
125.02470	9.5
130.08713	1.8
131.03510	17.3
139.00383	1.3
143.03505	3.1
149.04573	59.9
150.04913	1.6
151.00345	1.1
161.04561	4.3
163.04050	1.1
169.01440	9.0
170.01813	1.2
171.06689	1.6
179.07253	0.9
179.10832	4.6
191.03973	1.6
191.05650	16.4
211.02502	1.1
221.06587	2.8
223.09758	5.3
247.15581	1.4
251.07791	2.0
300.99860	2.1
303.13409	1.1
501.19760	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	501.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
57.03451	0.5
59.01385	4.8
61.98834	1.1
63.10365	0.3
67.01877	0.7
68.39201	0.3
71.01388	5.2
71.20529	0.8
72.99303	0.8
73.02939	1.0
73.92903	0.3
79.01890	0.8
83.01385	0.9
84.78500	0.3
85.02953	2.0
87.00877	1.0
87.04493	0.3
89.02451	1.3
95.01367	2.0
97.02921	0.8
99.00860	0.6
99.90446	0.3
101.02464	2.7
107.01405	5.0
109.02952	0.3
110.00078	0.4
111.00895	2.2
113.02483	1.7
119.03487	0.5
119.05015	0.5
121.02928	0.3
123.00000	0.7
123.00896	13.2
124.01658	0.9
125.02457	17.8
127.00386	0.9
136.98825	1.5
137.02434	0.4
138.01959	0.8
139.00386	5.7
140.01178	3.6
141.00980	0.3
141.01933	1.8
141.09229	1.3
143.10767	0.4
145.02943	0.4
150.99193	0.6
151.00388	10.5
151.04004	0.3
151.23039	0.3
153.01993	0.8
161.04535	0.3
163.04034	0.7
165.01929	0.3
166.99916	0.3
167.03513	0.3
167.21767	0.3
168.00662	4.9
169.01437	26.5
170.01753	0.7
179.03535	0.6
179.10796	0.6
193.05060	0.3
211.02473	4.1
253.03479	0.5
271.04584	4.2
297.06079	0.7
313.05655	2.8
346.70227	0.3
386.04605	0.3
465.18097	0.3
466.47333	0.3
501.19757	100.0
502.20105	8.2
517.63062	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53547	0.4
55.01875	0.5
57.03456	0.4
59.01389	5.7
61.98812	0.8
67.01878	1.4
69.03463	0.4
69.21600	2.4
69.22012	1.0
71.01389	5.0
72.99289	0.9
73.02940	1.6
78.16100	0.3
79.01876	1.3
83.01389	1.5
85.02971	2.1
87.00841	1.0
89.01943	0.4
89.02457	2.8
95.01404	1.9
97.02943	0.9
99.00861	0.5
101.02442	3.4
104.10325	0.3
107.01402	4.7
110.00098	0.6
111.00916	2.3
113.02491	2.3
117.03445	1.0
119.03487	0.4
119.04995	0.7
121.02885	0.3
123.00907	15.7
124.01643	1.5
125.02462	21.4
126.02773	0.4
127.00336	1.0
135.04515	0.4
136.98781	1.6
137.02457	0.5
139.00397	6.3
139.21175	0.4
140.01208	3.7
140.38503	0.3
141.01970	1.9
141.09212	1.5
143.10814	0.4
145.02063	0.4
145.02960	3.7
150.99225	0.6
151.00395	12.0
152.00769	0.5
153.01913	0.6
154.99881	0.4
161.04532	0.6
163.03952	1.5
167.99376	0.5
168.00661	5.2
169.01443	31.2
170.01726	0.9
175.03928	0.7
179.03441	0.6
193.05051	0.5
195.54973	0.3
211.02536	4.1
253.03516	0.4
264.71603	0.4
271.04694	4.1
297.06097	0.7
300.99783	0.4
313.05695	2.6
382.60416	0.4
455.31949	0.5
501.19586	100.0
502.19879	7.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.6
58.00614	1.5
59.01386	27.4
61.98834	9.2
62.36308	1.6
67.01905	1.8
69.03443	3.0
69.59803	2.9
69.60205	6.1
71.01389	20.1
73.02954	6.8
78.95911	7.3
83.01371	2.2
85.02951	10.8
87.00878	2.5
88.34714	1.4
89.02454	17.8
92.69852	1.7
93.03464	4.5
95.01377	2.5
96.96019	13.3
96.96964	6.8
97.02932	1.8
97.06593	3.6
99.00887	5.6
101.02447	16.3
107.01390	10.3
111.00869	2.4
113.02467	6.1
115.03979	1.9
118.37032	1.4
119.03525	2.1
119.05047	2.3
121.02976	1.9
122.03777	1.6
123.00912	15.3
123.08144	3.0
124.01772	1.4
124.12484	1.4
125.02459	57.6
125.09737	51.4
126.02748	1.8
127.00392	2.0
128.03526	1.6
128.90163	3.3
129.01970	13.7
130.08754	2.8
131.03493	4.4
135.08162	1.6
137.02463	11.4
139.00386	5.3
139.04056	2.4
141.01976	2.2
143.03549	2.7
143.10767	1.7
145.02956	2.4
149.04570	4.5
151.00371	6.3
152.03557	10.8
157.57167	1.7
161.04514	3.7
163.03979	2.7
165.01860	2.4
167.10799	3.8
168.00592	3.9
169.01437	88.5
169.08748	3.2
169.12346	1.9
170.01819	2.4
178.86235	1.6
187.09772	100.0
188.10179	3.1
193.01466	14.7
201.11320	7.2
203.03583	1.7
205.01366	1.4
207.13982	1.6
211.02466	6.1
211.09775	17.6
229.10829	11.5
233.06691	5.7
259.11884	7.1
260.39108	1.3
271.04630	3.8
278.44962	1.4
289.12939	24.4
293.08820	4.8
300.99814	2.5
307.08127	1.9
313.05704	13.7
329.24469	1.4
349.15063	28.7
349.18875	3.4
350.15594	1.5
466.10025	10.3
501.15268	52.7
501.31329	3.3
502.15552	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	501.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45428	0.4
53.91013	0.5
55.70478	0.5
56.19774	0.5
59.01387	4.1
61.98838	12.2
69.30731	4.9
69.66417	0.4
71.01386	4.2
71.94806	0.5
73.02950	1.2
78.91895	0.8
79.54941	0.5
82.95430	2.1
85.02966	2.0
89.02448	3.7
93.03458	0.9
95.01395	0.6
97.02934	0.6
97.08408	0.5
99.00893	0.9
99.79011	0.5
101.02458	2.9
113.02464	1.6
117.03465	1.9
119.05042	100.0
120.05364	3.1
121.03007	1.2
123.00902	1.7
123.04478	0.5
125.02458	2.1
130.64729	0.5
131.03531	0.7
131.07138	1.1
132.02167	5.6
133.02966	9.1
133.05066	0.8
134.03761	5.8
135.04524	6.0
137.02464	0.6
138.01988	1.2
140.01134	0.6
143.39914	0.5
145.02980	4.0
147.04568	0.6
149.04572	3.1
149.06079	1.6
151.00362	1.1
160.00308	0.7
160.01683	22.2
161.02463	26.0
162.02879	1.1
163.04028	46.1
163.28566	0.5
164.04401	1.4
168.00601	0.8
169.01445	3.6
173.36119	0.5
175.04015	23.6
176.04568	0.8
177.02031	0.5
177.05594	9.0
178.02698	0.6
179.03471	4.1
179.10788	1.3
193.05106	4.0
203.03477	0.8
211.02419	0.6
217.04939	0.6
221.04581	1.5
295.10437	1.2
323.07742	24.0
324.08011	1.4
337.09296	21.3
338.09558	1.5
369.15762	0.5
376.07706	0.7
501.14063	18.4
501.21759	5.8
501.32516	4.0
502.14233	1.6
502.22629	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87664	0.7
51.59812	0.6
51.91633	0.7
53.18749	0.7
56.89899	0.8
59.01383	7.6
61.98832	3.9
69.03476	0.9
71.01382	5.6
71.57230	1.0
73.02953	1.1
83.01383	0.9
85.02956	2.2
89.02456	1.9
93.03478	0.9
93.89556	0.6
95.01413	0.8
97.02938	0.9
99.00899	0.8
101.02476	3.4
103.16474	0.7
103.61849	0.6
107.01434	1.3
111.00881	1.1
113.02454	1.5
117.03481	17.1
119.05048	10.5
121.02930	2.1
123.00901	2.9
125.02449	7.5
130.08748	1.3
133.02965	2.0
134.03758	49.4
135.04230	0.9
135.87624	0.7
137.02464	11.3
138.01959	1.6
139.00365	0.6
139.04004	2.7
145.02968	66.5
146.03339	1.6
149.06090	15.4
150.03207	0.6
150.06564	0.8
151.00380	2.7
160.01749	0.9
160.04024	0.7
161.02451	1.7
161.04581	1.7
161.06033	1.2
162.03215	2.2
163.04018	8.9
168.00655	1.3
169.01445	6.4
170.01778	0.8
175.03976	0.9
177.05569	1.8
178.02730	34.9
179.03293	1.2
179.10754	1.8
181.64676	0.8
187.04028	1.2
187.13441	2.3
187.59312	0.7
193.05070	100.0
194.05371	3.9
205.05156	1.1
247.06178	1.1
271.04645	1.3
273.25391	0.7
301.03653	1.9
307.08255	44.7
308.08545	2.0
323.07822	1.8
349.18732	3.5
354.58383	0.7
463.09232	1.4
483.17389	0.8
501.13989	15.5
501.19977	13.0
501.31769	0.8
502.14175	1.8
502.20810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3073
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
59.01385	15.2
59.71184	0.8
61.05909	0.7
63.69504	0.8
69.55927	5.3
78.95895	2.7
129.38939	0.8
152.99554	2.4
171.00534	1.1
180.43944	0.7
245.04276	0.9
271.22812	18.3
272.72818	0.9
395.29623	1.2
411.32782	10.2
412.32498	0.8
437.30353	3.4
455.31491	100.0
456.31796	10.1
471.34695	1.4
499.30865	21.2
500.30975	2.2
522.57953	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3434
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
58.67314	0.3
61.14889	0.2
67.59585	0.3
79.96324	0.3
84.53063	0.2
86.62569	0.2
105.55763	0.2
143.01085	0.2
161.54849	0.3
172.44630	0.3
188.87010	0.3
229.41031	0.3
400.50333	0.3
421.30994	0.5
453.33994	0.8
467.31592	0.7
499.34341	100.0
500.34677	10.8
508.74503	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24921	0.3
61.82396	0.3
61.83786	0.3
61.98838	100.0
67.12344	0.3
69.38068	2.6
69.99952	0.3
98.19918	0.5
119.08308	0.3
145.75000	0.3
197.25624	0.4
262.23288	0.3
381.73712	0.3
418.26212	0.3
448.80688	0.5
501.32394	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	501.0267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60199	0.5
59.01385	72.4
59.04882	0.5
60.01722	0.5
69.49233	3.3
70.39924	0.5
72.99306	0.7
83.13599	0.5
90.97121	1.0
94.29306	0.5
98.19936	0.5
113.04635	0.5
118.96588	0.5
132.98203	1.4
134.97145	1.1
157.03580	2.9
159.01474	1.0
174.97731	1.0
174.99258	20.6
192.96135	0.9
201.02560	32.2
202.02684	1.9
217.00311	100.0
218.00659	3.0
234.97372	0.5
235.97578	0.5
236.00558	0.5
250.95383	0.8
276.98239	2.1
277.98538	0.5
292.96317	1.2
334.97339	0.9
343.03848	2.5
359.01501	55.9
360.01724	4.6
453.67419	0.6
457.00870	0.6
466.18683	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.307
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
57.03447	1.3
58.00537	0.6
59.01394	3.4
61.98825	2.5
69.49651	3.6
71.01377	1.2
71.05035	1.5
74.83494	0.5
78.95895	0.8
83.05049	1.6
85.03014	0.6
85.06577	0.6
97.06601	2.8
121.06598	0.9
127.04037	1.6
139.07657	0.7
145.06355	0.5
239.67299	0.6
255.17630	0.6
293.24939	0.6
325.21796	1.3
337.23849	2.3
375.23358	1.2
389.24814	1.9
391.26254	0.7
405.28030	34.0
406.28207	4.1
407.29672	7.9
423.28918	3.1
451.28983	1.3
453.30151	17.8
454.30463	1.6
455.32086	1.1
469.29718	1.4
499.30750	100.0
500.31049	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	499.307
Annotation	SCHEMBL17372672
Peak:m/z	Relative Intensity
59.01380	0.4
61.98831	0.4
66.06177	0.3
69.39877	2.1
73.02952	0.7
86.06505	0.3
86.18765	0.3
93.63912	0.3
187.76738	0.3
188.49832	0.3
349.25131	0.3
391.30075	0.3
405.28082	1.1
411.25107	0.3
423.29230	0.6
437.30722	0.7
451.28564	25.6
452.28970	2.6
453.30258	1.4
455.31552	0.5
469.29614	16.2
470.29935	1.9
481.29681	4.7
482.30139	0.8
499.30704	100.0
500.30997	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	498.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.8
59.33991	0.2
61.98837	100.0
62.09273	0.2
69.30294	1.2
69.30721	1.4
83.26398	0.3
84.00965	0.3
88.68554	0.3
89.83068	0.3
101.02441	0.4
109.45634	0.3
123.00854	0.3
125.02488	0.9
133.20398	0.3
138.01923	0.3
140.39255	0.3
169.01459	0.9
171.51212	0.3
171.52933	0.2
181.95694	0.3
211.02658	0.3
215.68704	0.3
271.04608	0.4
498.10443	1.0
499.22360	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.24
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.8
57.03434	2.6
59.01107	3.5
59.01387	44.0
71.01389	49.7
71.57005	2.7
72.99303	5.8
73.02962	20.0
78.95920	2.9
83.01399	9.6
85.02953	26.3
87.00887	7.0
89.02465	12.3
95.01391	4.9
96.96011	19.2
96.96957	2.6
99.00877	10.3
101.02457	43.1
111.00898	3.0
113.02478	19.3
119.03516	2.6
123.00939	4.2
125.02464	17.5
131.03532	10.5
133.26950	2.4
139.00400	2.4
143.03548	2.2
149.04568	2.9
151.00407	2.3
159.02946	2.1
160.03975	3.9
161.04539	15.9
168.00641	2.1
169.01436	14.2
173.02466	2.5
191.92203	2.3
271.04501	2.6
300.99985	6.1
307.17657	98.6
308.18036	3.0
324.03342	2.1
370.47867	2.2
439.21869	100.0
440.22198	7.1
499.13028	2.1
499.19199	12.9
500.18213	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	499.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58041	1.9
59.01387	65.4
66.20531	1.7
78.95897	10.7
91.07378	1.5
98.19867	3.9
121.85937	1.7
152.99612	11.5
171.00739	1.7
209.11798	2.3
212.33955	1.8
227.03282	3.0
229.55098	1.8
245.04356	5.7
271.22809	100.0
272.23105	5.8
455.31561	8.7
458.68036	1.6
499.25803	29.2
500.26721	3.2
508.43317	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	497.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	2.8
57.03449	2.9
57.83041	0.8
59.01385	63.5
61.98842	10.8
68.06290	0.9
71.01392	29.8
71.57784	1.5
72.01744	1.0
72.99312	2.2
73.02956	12.8
78.95944	1.5
83.01398	6.9
83.05006	1.0
85.02957	19.4
86.00125	1.2
87.00855	1.3
89.02457	3.9
91.05011	0.9
95.01399	3.4
99.00904	7.2
100.84079	0.9
101.02451	36.2
108.80868	0.8
113.02477	12.8
123.00932	1.3
125.02452	2.6
131.03525	40.3
143.03481	1.9
152.03520	2.4
152.65190	0.9
152.99503	1.6
154.01477	1.3
159.02985	3.1
161.02487	1.1
161.04564	10.2
181.34671	1.1
213.15004	1.5
305.19711	100.0
306.20062	6.9
335.22205	1.3
368.27756	0.9
437.23932	16.4
438.24399	1.1
447.70865	1.0
497.23764	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	497.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51323	11.1
59.01385	88.3
60.64380	11.3
60.94215	9.4
61.98837	88.5
69.35140	10.9
71.01394	57.8
71.57674	10.3
73.02932	21.8
79.74971	10.5
83.01392	18.9
85.02946	22.2
87.00874	12.1
89.02436	41.7
93.37980	10.5
99.09913	11.5
101.02476	40.8
111.00928	9.6
113.02496	26.6
125.02448	49.1
137.02376	10.1
149.04565	15.3
151.00343	16.6
151.07732	12.1
153.01920	38.4
160.04034	33.5
161.04530	14.6
167.10791	31.9
169.01399	27.8
175.03989	12.6
179.10733	16.2
293.08740	42.4
302.88150	10.5
329.06369	41.3
359.25009	12.4
365.24030	11.2
497.19781	100.0
497.28064	50.7
501.05890	11.4
521.75366	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21210	3.0
59.01384	50.0
61.98825	18.8
69.33577	6.3
69.33986	24.4
71.01382	45.1
73.02946	11.4
85.02936	7.6
89.01933	5.4
89.02455	69.3
92.58797	3.7
97.02907	4.4
99.00880	13.0
101.02455	25.5
113.02413	12.5
125.02476	29.2
131.03481	12.9
131.69286	4.1
145.02977	3.5
149.04564	50.5
153.01999	4.3
161.04654	4.0
167.10799	20.9
169.01367	6.1
191.05602	8.1
219.53011	3.9
221.06647	4.7
233.06676	13.4
236.32668	3.7
283.99567	7.9
291.18134	4.2
293.08789	100.0
294.09302	4.4
297.04202	4.5
311.09912	7.4
326.00739	4.3
329.06427	78.8
363.21066	3.6
392.07800	7.2
437.23822	4.6
438.08218	10.1
486.36575	4.7
497.17792	33.6
497.28189	12.5
498.10623	23.2
498.17032	4.5
514.92926	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.167
Annotation	Eucalmaidin B
Peak:m/z	Relative Intensity
50.57376	0.9
59.01113	0.9
59.01390	13.5
61.98825	2.1
64.12008	0.8
64.41433	0.8
67.01899	1.6
67.84790	0.8
69.03462	2.8
69.30451	6.5
71.01067	1.0
71.01398	12.5
72.99312	1.6
73.02956	1.5
79.01893	2.4
83.01394	2.3
83.20654	0.7
85.02952	3.0
85.81588	0.8
87.00872	0.8
89.02444	5.9
89.69995	0.8
91.52400	0.7
92.14232	0.8
95.01384	3.5
97.71733	0.8
101.02463	6.6
107.01388	7.4
111.00872	2.3
113.02467	4.2
117.03484	1.1
118.29102	0.7
119.03519	2.0
119.05022	2.3
121.02959	2.1
123.00902	22.4
123.04519	4.3
124.01654	0.9
125.02466	33.5
126.23349	1.0
127.07622	3.7
132.02202	1.4
134.03748	2.1
137.02455	1.8
137.06058	2.5
139.00385	7.1
139.11259	1.2
140.01172	1.7
141.01964	2.2
143.03506	0.8
145.02974	6.8
151.00404	16.5
153.01959	1.5
153.05554	4.2
155.07198	1.6
160.01636	5.1
161.02333	0.9
163.04041	2.3
165.01897	1.4
168.00638	4.8
169.01457	55.6
170.01761	1.1
175.04083	4.2
181.01300	0.8
181.05215	1.1
183.02959	1.1
183.10274	4.4
193.05125	1.4
197.11823	2.3
211.02524	9.9
211.27469	0.8
225.11267	1.0
253.03392	2.2
271.04492	1.9
299.05841	1.5
307.08093	5.0
313.05676	3.4
331.06610	0.9
335.20660	2.3
435.13058	2.2
445.22522	1.0
453.17398	2.4
461.14313	2.2
465.49304	0.8
472.53455	0.9
479.19037	1.3
497.16638	100.0
497.25455	3.0
498.17065	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	497.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75969	1.0
55.86755	0.9
59.01387	2.0
71.01395	7.1
71.33447	1.5
71.33783	1.3
79.01926	1.2
79.43480	1.0
79.67957	0.9
83.01372	1.3
83.50957	1.0
85.02950	2.3
89.03975	1.2
93.03468	1.4
95.01397	1.8
97.02968	1.9
101.02473	1.9
105.03485	1.1
107.01379	10.0
109.02988	1.2
111.00911	3.3
113.02455	2.7
117.03462	1.3
121.02972	7.9
123.00910	9.9
124.01695	1.3
125.02464	54.3
135.04530	1.7
137.02461	2.1
139.00352	5.4
139.04028	3.1
140.01193	4.1
141.02054	1.3
145.03027	4.0
147.04562	3.0
148.04037	1.2
149.02475	1.2
150.03239	25.2
150.04384	1.7
151.00377	8.8
151.03976	1.8
153.01886	1.2
161.02484	3.5
163.00435	1.2
163.04021	2.5
165.01988	5.1
165.05594	6.3
166.99904	1.2
168.00638	5.2
168.30664	1.0
169.01437	74.8
170.01836	1.9
173.02483	3.0
175.00526	1.1
175.04086	3.0
175.69925	1.0
177.01976	2.9
179.03532	2.5
181.01492	1.1
183.03023	3.5
189.02002	4.4
190.02812	3.1
191.03506	11.6
193.01555	1.8
201.02010	2.3
203.03496	2.2
205.01326	1.2
211.02563	3.4
215.03535	1.6
216.00601	1.4
217.01428	5.9
218.02106	1.1
219.02945	6.4
221.01003	2.6
229.01439	4.7
235.02530	2.1
241.03601	1.8
245.00919	6.6
247.02487	28.3
248.03024	1.5
259.02435	1.5
261.00287	1.7
270.98917	3.5
271.04623	2.6
273.00452	16.3
274.00836	1.7
289.03748	2.7
291.01587	2.8
298.98462	3.6
300.99969	2.8
313.05701	22.9
314.06146	1.8
317.11530	1.7
327.07397	1.7
333.02707	4.9
337.05673	1.1
345.08389	2.7
393.04727	3.7
451.05554	1.6
453.07101	4.1
465.07065	2.9
479.04901	3.2
497.13278	100.0
498.13455	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	496.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.2
61.98820	1.9
69.57520	1.2
69.57947	1.8
71.01392	0.7
78.95911	0.7
116.05074	3.7
122.83812	0.4
123.91295	0.4
125.02422	0.6
159.03238	1.1
160.04054	100.0
161.04381	2.9
163.28938	0.5
169.01523	0.9
204.03047	6.3
262.08737	3.1
289.07538	0.7
290.08276	12.9
291.08701	0.8
312.10040	0.5
364.95093	0.5
493.75653	0.5
496.12607	13.4
496.19485	0.5
497.13095	1.3
497.20291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46067	1.2
58.08998	1.2
58.65967	1.2
59.01377	2.9
64.76252	1.2
67.01871	1.0
68.99805	1.6
69.03444	2.9
69.57555	8.5
71.01391	9.7
71.05010	5.0
72.99297	1.4
79.01877	1.4
81.19495	1.2
82.06277	1.2
83.01398	2.7
85.02964	3.5
89.02429	1.5
93.03426	2.0
95.01373	4.4
95.05014	5.2
97.02969	13.5
101.02437	4.1
107.01414	13.6
109.02946	1.4
111.00863	5.1
113.02460	7.2
120.99647	1.5
121.02965	11.7
122.06055	1.7
123.00893	16.9
124.01630	3.9
125.02462	67.3
126.02806	1.7
127.00333	1.7
136.98885	1.3
137.02451	24.8
139.00421	9.9
139.04024	60.1
140.01125	5.6
140.04359	1.4
141.01823	2.2
145.03032	2.2
147.04494	2.3
149.02376	1.6
150.03265	1.9
151.00401	14.0
151.03917	1.5
153.01880	1.9
161.02402	4.0
163.03957	4.8
165.01949	96.4
166.02313	3.8
166.99838	3.1
168.00673	8.0
169.01443	100.0
170.01730	2.1
173.02350	3.0
175.03943	2.7
176.07248	1.2
177.01898	2.6
179.03539	2.1
180.00359	1.2
183.02937	5.6
189.01915	4.1
190.02693	3.0
191.03551	6.7
193.01414	2.0
201.01920	2.9
203.03461	2.2
205.01408	2.0
207.02951	4.0
209.00842	1.9
211.02472	13.2
217.01469	3.0
219.02910	2.5
223.02437	2.2
229.01439	1.9
235.02423	2.8
241.03450	2.5
245.00804	5.5
247.02524	15.5
270.98730	2.1
271.01859	2.3
271.04639	38.2
273.00461	12.3
275.01813	1.8
277.03473	2.1
291.01584	1.7
295.04617	2.6
298.98254	3.0
300.99771	3.4
313.05695	35.8
314.05997	1.8
316.99472	2.0
317.11447	2.3
327.07086	1.7
331.06769	17.8
345.04480	2.1
345.08295	29.2
346.08337	1.9
393.04456	2.1
402.57217	1.4
425.07019	1.3
453.10611	2.4
457.62820	1.3
465.06836	14.8
466.06931	2.5
466.62909	1.3
479.08945	12.3
497.09219	98.3
498.09323	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	495.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14149	15.0
58.85018	11.2
59.01376	25.7
59.69081	12.7
59.77922	13.2
61.98830	29.0
69.25859	100.0
69.26271	29.6
83.78236	12.0
116.21057	12.7
141.92577	12.7
173.54156	11.5
177.82277	12.1
205.86166	14.6
211.13362	21.2
338.69424	14.1
424.49686	13.2
457.29831	14.0
495.32422	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	495.325
Annotation	Unknow
Peak:m/z	Relative Intensity
64.84876	27.4
70.36192	53.1
70.36597	98.8
107.89742	32.5
300.99951	37.3
495.32672	100.0
513.71436	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	495.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18290	65.3
59.01370	85.1
60.60339	66.0
61.98826	100.0
73.97394	65.7
81.56567	69.8
83.45399	66.8
89.40199	72.5
109.74589	66.9
117.22242	69.2
118.56648	71.2
189.11815	73.1
300.99918	82.8
318.29733	63.5
411.59756	70.3
423.05835	78.4
446.78574	70.2
455.70532	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.1
57.80663	0.6
58.00598	1.4
59.01385	31.7
61.98804	1.0
69.03458	0.7
71.01389	51.8
71.03156	1.6
72.01704	0.7
72.99304	2.3
73.02956	28.6
75.00866	1.8
83.01390	9.9
85.02956	26.7
86.00101	1.3
86.63412	0.6
87.00875	3.7
89.02453	15.6
92.93605	0.6
95.01396	4.3
97.02955	2.9
99.00891	12.6
99.04570	0.7
101.02452	48.2
111.00877	2.6
113.02464	21.7
113.03259	1.1
115.04034	3.1
119.03510	0.9
125.02463	5.2
129.01947	1.1
131.03482	3.5
141.01947	1.1
143.03487	2.6
149.04573	2.2
149.41745	0.7
159.02974	4.8
161.04573	20.8
191.05576	0.8
199.16980	0.7
201.18631	1.2
233.06700	2.7
293.08716	1.5
363.23914	64.2
364.24210	4.4
495.28149	100.0
496.28580	8.3
510.38568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62836	1.7
55.01885	4.0
57.03458	3.4
58.59826	1.8
59.01387	100.0
61.98840	16.8
69.03487	1.7
71.01391	71.0
71.49427	1.7
73.02946	16.7
74.76471	1.7
75.00875	2.1
81.03459	2.5
83.01391	5.9
85.02960	21.2
86.64861	1.9
87.00885	2.9
89.01936	3.4
89.02454	56.8
93.87930	1.7
95.01411	4.1
97.02940	4.8
99.00895	8.9
101.01804	2.8
101.02458	53.3
108.96912	2.1
109.29884	1.7
113.02467	24.2
119.03529	13.0
119.04999	5.5
125.02462	12.9
129.01965	3.4
131.03520	44.2
133.02977	5.6
136.01614	1.9
136.71164	2.0
140.33414	1.8
143.03488	5.6
147.04510	2.1
149.04570	24.6
158.64915	1.8
159.03029	3.9
161.02417	6.7
161.04602	18.8
163.04039	3.2
169.01425	5.8
179.05591	13.2
179.10699	2.5
191.05637	15.5
227.03178	1.9
251.11893	2.1
253.60445	1.9
268.03836	3.1
289.40717	1.9
296.03238	2.1
297.04095	2.9
300.99692	1.8
303.18210	2.5
362.95135	19.8
363.23895	42.5
364.24393	2.1
435.22220	10.3
435.29379	3.3
459.09335	6.9
494.99338	3.0
495.23019	5.0
495.28519	44.9
496.28619	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	495.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17062	0.4
54.01618	0.4
56.19933	0.4
57.03454	3.6
58.00592	1.3
59.01385	31.6
62.49229	0.4
67.38976	0.4
69.03473	1.4
69.40804	3.6
71.01387	53.1
72.01743	0.5
72.99319	2.1
73.02951	25.6
75.00876	1.4
83.01394	10.2
85.02957	25.1
86.00093	1.8
87.00893	3.4
89.02448	12.9
95.01390	4.1
97.02969	3.3
98.19846	0.4
99.00887	10.1
99.26852	0.5
101.02451	47.4
102.02807	0.6
105.13293	0.4
109.72826	0.5
110.23786	0.4
111.00882	3.1
113.02457	20.0
115.04006	2.0
119.03484	1.2
121.07817	0.4
125.02462	4.5
127.04142	0.5
129.01927	1.3
131.03535	2.6
140.47096	0.5
141.01962	0.8
143.03526	2.6
149.04584	3.0
159.02998	4.5
161.04564	19.9
162.04915	0.6
191.05565	0.9
199.16989	1.1
201.18611	1.6
222.46074	0.4
224.24823	0.4
233.06673	3.6
293.08829	1.2
363.23898	63.6
364.24170	3.4
495.28137	100.0
496.21402	0.5
496.28543	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	495.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31338	1.8
59.01376	7.6
62.55185	1.9
69.60314	4.9
69.60737	9.1
71.01379	5.7
75.96148	2.1
78.95911	2.7
83.01425	2.7
83.41806	2.3
85.03021	2.8
89.02438	2.6
98.19931	4.4
99.00883	2.3
101.02466	4.3
106.70135	2.3
107.01392	4.0
116.54263	2.0
122.06097	3.1
123.00874	12.6
124.01708	3.1
125.02483	17.8
138.05675	3.6
139.00363	5.5
140.01141	2.9
151.00406	8.0
153.01923	2.5
160.03983	3.1
168.00647	4.9
169.01457	21.0
184.91434	2.3
211.02431	2.4
226.16231	1.9
247.74963	2.3
289.11972	9.3
333.10922	6.3
350.31223	2.4
365.57941	2.2
367.24680	2.3
387.40109	2.3
391.74341	2.3
459.18750	100.0
460.19070	7.5
495.15479	7.8
522.29852	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1146
Annotation	Cedrinoside
Peak:m/z	Relative Intensity
59.01386	1.8
65.81232	0.7
67.01904	0.8
69.03493	0.7
71.01400	4.3
79.01909	1.2
81.55805	0.7
90.56181	0.7
90.98676	0.7
93.03442	1.4
95.01406	1.8
97.03025	0.7
101.02449	2.4
107.01402	7.7
109.02937	1.1
111.00887	1.8
113.02451	1.8
119.05039	38.8
121.02967	26.0
122.03277	0.8
123.00898	10.7
124.01696	1.0
125.02460	48.4
126.02819	1.0
136.98775	1.4
137.02455	4.6
139.00386	5.2
140.01195	2.3
141.01964	1.0
151.00380	8.6
163.04005	7.0
165.01971	1.2
166.99911	0.9
168.00627	4.0
169.01443	83.0
170.01810	2.8
179.03621	0.8
180.00626	1.2
181.01421	9.5
181.05136	1.0
184.47328	0.6
193.01518	0.7
209.00829	0.8
211.02516	1.7
223.02563	1.3
241.03589	1.2
253.03519	1.0
289.07144	1.2
295.90448	0.7
301.00009	1.8
313.05661	44.7
313.62134	0.7
314.06137	1.8
328.80173	0.7
343.06732	4.1
379.50543	0.8
412.57901	0.8
433.11606	6.2
435.09332	28.6
436.09915	1.9
477.10352	25.5
478.11050	2.7
495.11557	100.0
496.11945	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	495.1147
Annotation	tarocin A1
Peak:m/z	Relative Intensity
59.01382	13.1
67.01886	0.9
71.01382	3.8
71.56216	0.9
71.56583	1.6
72.99297	1.5
73.20544	0.8
75.00874	1.1
81.03440	1.3
83.01354	0.8
84.16019	0.9
85.02960	1.1
86.54342	0.8
87.00861	1.1
89.02453	2.3
93.03470	1.0
95.01354	1.1
96.96069	1.1
101.02441	1.7
107.01402	6.3
107.05038	1.9
109.02966	6.9
109.06591	3.6
111.00902	1.2
113.02448	2.0
119.05019	6.8
121.02968	6.0
123.00935	6.9
125.02459	34.9
126.02795	0.9
135.04527	7.4
137.02414	2.7
137.06094	28.8
138.05550	1.1
139.00349	3.8
140.01062	1.7
145.02882	0.9
151.00369	4.8
151.03802	0.9
153.01927	2.2
163.03934	1.3
165.01938	1.0
168.00613	2.8
169.01445	51.4
170.01724	1.7
177.01949	0.9
179.03439	1.3
181.05083	95.9
182.05356	3.6
199.03944	1.1
209.01025	1.3
211.02391	1.6
223.02316	1.5
232.66173	1.0
271.10831	3.6
275.01846	1.0
300.99881	5.0
313.05652	23.6
314.06036	2.3
343.06464	1.6
343.10309	19.5
355.24249	0.9
477.03256	1.3
495.11298	100.0
496.11655	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	493.3094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.62925	54.1
59.01393	95.0
71.57239	60.0
79.24886	52.1
83.81825	54.5
93.10445	53.0
125.02468	61.5
164.89668	52.6
170.32822	49.4
176.44833	56.2
197.98785	70.8
247.46367	56.6
426.98550	76.7
493.30478	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64245	1.4
59.01388	99.4
59.18727	1.5
63.33307	1.7
66.77515	1.6
70.31004	5.4
71.06001	1.6
79.05535	4.8
79.28355	1.6
83.05022	2.7
111.04552	13.1
121.06551	3.1
122.03784	8.4
123.04541	26.8
126.03228	1.9
128.63911	1.5
135.08154	2.1
137.09703	3.6
139.07652	10.4
154.02716	7.1
163.07654	1.9
181.08733	3.8
323.29608	14.2
345.31424	1.8
361.34818	11.6
389.34317	100.0
390.34756	7.5
407.35330	22.4
433.33215	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	494.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29614	0.2
58.93361	0.2
59.01383	0.6
60.85217	0.3
61.08054	0.2
61.98837	100.0
64.01884	0.2
71.01430	0.3
73.08522	0.2
74.80845	0.3
83.42606	0.2
87.08735	0.2
101.02452	0.4
125.02480	0.3
169.01366	0.3
175.49629	0.2
251.01271	0.2
268.03818	0.8
269.04599	1.0
271.11023	1.4
431.09875	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
60.93478	5.0
61.98830	16.7
71.01389	91.2
72.99328	7.9
73.02944	26.1
73.56879	4.5
83.01411	7.7
85.02960	24.4
89.02446	88.9
89.02944	8.0
95.01380	7.5
99.00903	21.2
101.02459	57.6
102.79900	4.2
108.34921	5.0
113.02471	23.8
119.03486	9.0
119.05050	13.5
123.00909	12.3
124.01682	9.3
125.02458	61.5
131.03511	18.4
133.03027	8.0
138.01996	8.8
143.03583	5.3
145.02994	11.2
149.04556	49.6
151.00482	8.2
161.02431	22.6
161.04544	29.3
163.04063	7.2
169.01469	39.0
180.59091	4.5
191.05667	10.6
211.02541	11.2
213.14873	6.0
221.06641	5.0
228.41901	5.1
247.80830	4.6
251.07780	6.3
271.04694	8.6
281.06802	4.7
285.04129	5.3
300.99966	6.9
301.16568	8.6
361.13052	6.9
361.22223	7.6
433.20682	36.6
449.18134	7.2
493.16116	29.4
493.30206	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	493.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.3
57.03450	2.7
59.01379	20.4
60.37764	1.2
61.98835	12.5
69.03455	6.9
69.33904	7.0
69.34320	3.1
71.01385	21.8
73.02944	9.1
75.00907	1.5
83.01403	8.2
85.02976	9.9
87.00864	2.0
89.02450	4.8
95.01408	2.8
97.02954	20.8
99.00896	3.1
101.02444	13.5
107.05061	2.1
111.04495	2.2
113.02454	6.6
115.45416	1.3
117.03506	2.7
119.03593	1.8
119.05021	6.5
123.04559	1.8
125.02454	100.0
126.02838	2.0
131.03482	1.6
132.04607	1.5
133.06604	1.5
133.10295	1.6
135.11816	17.1
136.07674	2.4
145.02971	12.6
153.12906	1.2
159.08136	2.2
159.11743	1.6
161.04535	6.5
161.09741	9.8
163.04001	5.0
169.01518	2.2
179.10783	96.2
180.11162	4.7
187.11256	2.0
189.12820	2.4
201.12840	2.3
203.10855	6.6
205.05072	3.1
205.08665	2.0
223.09708	8.3
229.08737	4.6
231.10280	1.6
235.06018	2.2
245.11803	2.8
247.09744	4.8
265.07236	3.2
289.10907	3.4
297.24319	1.3
307.08206	3.9
307.11835	3.6
324.99863	2.1
353.14944	2.4
361.22211	6.6
367.14066	10.3
429.06168	1.9
463.03247	3.2
470.52954	1.4
493.08090	7.0
493.26721	8.6
493.33426	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	493.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.9
57.03458	2.1
59.01385	14.9
61.98843	10.3
69.03457	5.4
69.43137	10.4
70.35343	1.2
71.01385	20.2
72.99314	1.7
73.02956	7.4
74.60509	1.3
75.00892	2.3
83.01392	8.7
83.05077	1.7
85.02972	9.0
87.00886	1.5
89.02456	5.0
91.70872	1.2
95.01392	3.0
95.05008	1.9
97.02953	21.6
99.00871	3.6
101.02470	11.1
107.01416	1.6
111.00897	1.8
113.02478	6.5
114.15401	1.5
117.03506	3.5
119.05032	6.6
123.04547	1.6
125.02460	100.0
126.02818	2.8
131.03552	1.4
133.06543	1.4
135.04501	2.1
135.11827	18.1
136.07687	2.3
143.03531	2.5
143.69269	1.3
143.96130	1.4
145.02974	16.5
147.08109	1.7
159.08118	1.5
161.02504	1.8
161.04552	6.2
161.05965	2.5
161.09731	9.2
163.04002	6.2
163.07657	2.1
169.01392	1.5
177.12889	1.9
179.10786	95.4
180.11147	3.3
184.39685	1.2
185.09688	2.1
201.12849	1.9
203.10793	5.1
205.05142	2.4
205.08755	2.7
221.11862	1.6
223.09790	9.3
229.08714	3.4
231.10294	2.0
235.06107	4.0
245.11839	3.6
247.09700	2.7
265.07281	5.2
271.24585	1.4
285.00397	1.6
289.10779	5.9
292.00110	1.5
304.38712	1.8
307.08237	5.1
307.11984	3.8
312.99918	8.2
324.99881	5.3
353.15024	2.4
361.22269	9.1
367.14020	10.1
455.79150	1.4
463.02896	2.3
493.07822	10.4
493.20605	1.8
493.26498	7.6
493.34070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48031	0.7
59.01385	6.3
67.01907	0.8
68.93870	0.6
68.99830	0.8
69.47187	4.5
71.01382	4.0
75.00881	1.5
79.01891	1.6
83.01388	1.0
85.02906	1.3
89.02449	1.7
95.01392	1.4
96.96911	0.6
97.02947	0.7
101.02445	2.0
107.01405	4.9
110.00091	0.9
111.00882	2.6
113.02464	1.6
123.00906	13.0
124.01659	1.4
125.02463	24.9
127.00323	1.3
133.02946	0.9
135.04539	5.2
136.98827	1.8
139.00392	4.9
140.01155	4.7
141.01875	1.0
149.02470	0.7
151.00397	8.3
153.01933	0.8
161.02486	4.0
165.01917	0.7
168.00687	6.6
169.01445	36.7
170.01770	1.1
177.04012	1.2
177.05542	1.8
179.03526	6.3
195.02786	0.8
211.02512	27.4
212.02878	1.0
221.04558	2.2
230.68286	0.6
241.03624	0.7
251.05573	2.5
271.04620	23.0
271.07559	1.2
272.04898	0.9
281.06693	3.1
300.99951	1.5
323.07797	0.7
341.08966	3.4
493.10162	6.2
493.17130	100.0
494.17535	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	493.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48031	0.7
59.01385	6.3
67.01907	0.8
68.93870	0.6
68.99830	0.8
69.47187	4.5
71.01382	4.0
75.00881	1.5
79.01891	1.6
83.01388	1.0
85.02906	1.3
89.02449	1.7
95.01392	1.4
96.96911	0.6
97.02947	0.7
101.02445	2.0
107.01405	4.9
110.00091	0.9
111.00882	2.6
113.02464	1.6
123.00906	13.0
124.01659	1.4
125.02463	24.9
127.00323	1.3
133.02946	0.9
135.04539	5.2
136.98827	1.8
139.00392	4.9
140.01155	4.7
141.01875	1.0
149.02470	0.7
151.00397	8.3
153.01933	0.8
161.02486	4.0
165.01917	0.7
168.00687	6.6
169.01445	36.7
170.01770	1.1
177.04012	1.2
177.05542	1.8
179.03526	6.3
195.02786	0.8
211.02512	27.4
212.02878	1.0
221.04558	2.2
230.68286	0.6
241.03624	0.7
251.05573	2.5
271.04620	23.0
271.07559	1.2
272.04898	0.9
281.06693	3.1
300.99951	1.5
323.07797	0.7
341.08966	3.4
493.10162	6.2
493.17130	100.0
494.17535	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	493.1146
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
57.63540	1.6
59.01390	13.0
61.98837	17.4
65.00327	1.9
65.26424	1.5
71.01386	5.5
71.56832	2.2
85.02971	2.6
89.02450	3.0
101.02467	3.2
105.24178	1.5
107.01417	4.4
113.02467	1.8
117.03468	1.6
119.05067	1.6
125.02480	7.5
133.02959	10.7
135.04535	9.6
149.02435	3.7
151.00395	11.8
159.06641	1.6
161.04538	2.1
167.26331	1.6
169.01472	9.4
169.02681	1.7
175.03996	4.9
183.04459	2.2
192.44922	1.6
199.04004	5.1
201.01918	2.3
227.03439	3.6
255.03001	60.3
256.03757	40.2
257.04401	2.1
269.37079	1.5
277.09766	2.6
278.10123	2.4
283.02502	85.4
284.03278	100.0
285.04037	96.0
286.04276	3.8
292.11880	4.6
293.12567	5.8
321.25806	2.0
322.35449	2.1
336.10992	2.8
337.11511	2.3
433.28079	2.1
461.19351	9.0
475.10110	2.2
493.11331	12.8
493.22086	2.9
493.34814	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	493.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87990	3.6
59.01394	21.9
67.79425	3.6
71.01392	13.4
73.09232	3.5
75.15639	3.4
78.95927	4.2
85.02965	7.2
89.02470	11.6
95.01450	4.4
96.96979	3.4
97.37698	3.6
98.20647	13.5
101.02457	10.9
107.01374	10.2
112.74708	4.2
113.02490	5.4
123.00939	17.7
125.02466	46.6
137.02420	4.5
151.00378	16.7
157.05550	3.7
161.04601	7.2
168.00644	12.4
169.01459	80.2
193.01384	6.7
208.66672	4.0
211.02519	15.4
221.01389	4.0
221.06592	6.2
229.12935	4.4
271.04736	9.7
331.06693	100.0
332.06985	5.6
421.03537	5.1
433.09961	10.2
449.03625	5.1
493.12073	70.6
494.12592	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	493.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	7.9
65.36864	1.3
67.48158	1.1
69.03457	1.6
69.55236	8.4
71.01397	6.3
73.02946	1.4
73.96233	1.0
79.51175	1.1
85.02959	2.6
89.02458	3.7
95.01377	2.1
101.02457	3.9
107.01396	4.2
109.02944	1.2
113.02462	1.9
123.00924	9.5
125.02458	36.6
133.02965	12.8
134.03775	3.5
135.04539	75.1
136.04901	2.1
137.02461	4.4
139.00414	2.6
139.03981	1.1
140.01157	1.6
141.01991	1.2
148.05322	2.0
149.06081	11.0
151.00386	4.7
156.53780	1.1
160.04118	1.5
161.02457	69.6
161.36432	1.1
162.02852	1.5
168.00687	1.8
169.01439	46.8
177.05592	27.5
179.03513	98.7
180.03816	3.5
203.03574	2.7
211.02481	8.9
221.04575	39.7
222.04753	1.5
251.05618	39.9
252.05939	1.6
271.04697	6.6
274.20105	1.3
281.06699	48.1
282.07056	2.4
301.00058	2.1
323.07706	8.1
323.73495	1.1
331.06949	1.9
341.08777	43.5
341.13000	2.1
342.09140	2.3
367.10892	1.1
405.17819	1.5
433.07932	3.3
493.10019	100.0
493.17267	14.1
494.10226	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	493.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21463	0.4
59.01385	1.9
69.03465	1.4
69.09981	0.5
71.01380	1.0
73.02956	0.6
75.00869	0.5
79.01941	0.5
81.03433	0.6
83.01388	0.4
84.29029	0.4
85.02963	0.5
87.00912	0.4
89.02464	0.6
95.01393	0.9
97.02975	0.8
97.06611	0.4
101.02384	0.7
107.01419	0.8
109.02975	0.4
111.00869	0.7
113.02522	0.8
117.03423	0.7
119.05061	0.5
120.99658	0.7
123.00927	0.7
124.01707	0.6
125.02458	58.1
126.02811	1.5
133.02989	4.3
135.04544	3.0
137.02461	0.8
145.02965	2.0
146.03297	0.5
150.03259	0.6
155.10710	0.4
161.02444	11.2
165.01926	0.5
166.99803	0.5
168.00627	0.6
169.01437	100.0
170.01695	2.4
177.01968	0.6
179.03490	2.0
203.03546	0.5
221.04536	0.7
229.57320	0.5
271.04544	0.7
286.98380	1.4
300.99878	1.3
307.08310	0.6
314.97958	2.7
315.98541	5.3
323.07693	11.3
324.07959	0.7
330.00079	0.7
331.01010	2.8
331.06744	4.3
412.07361	0.4
413.72751	0.4
462.54718	0.8
476.54019	0.6
493.06177	4.0
493.10687	1.8
493.17081	0.7
493.30023	1.1
498.01245	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.1
61.15474	0.6
67.01908	0.6
69.66843	3.3
71.01390	2.6
81.61205	0.6
82.96813	0.5
83.49389	0.6
85.02970	1.4
85.63579	0.5
91.80520	0.6
98.19936	1.1
101.02464	1.3
105.50729	0.6
107.01366	3.7
107.05070	0.7
113.02444	0.8
123.00908	5.1
124.01670	0.9
125.02457	29.4
134.03796	2.2
135.04538	100.0
136.04861	2.4
139.00372	2.2
140.01176	1.7
148.86229	0.6
151.00378	2.9
168.00714	1.7
169.01436	41.3
170.01778	1.5
179.03514	90.0
180.03903	3.4
211.02502	1.1
241.03467	0.8
247.79640	0.6
313.05685	53.5
314.06042	2.1
324.09103	0.7
341.08810	5.0
425.02136	0.7
449.10797	0.7
490.76340	0.7
493.09906	72.6
494.10202	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	492.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43137	1.3
51.16037	1.3
59.01385	2.0
61.98850	1.4
69.03455	1.6
69.18058	15.5
71.57583	1.4
72.14310	1.4
73.02941	2.1
74.45994	1.4
81.03441	1.9
95.01394	3.6
97.02961	3.1
99.00886	2.8
102.06484	1.4
107.01404	5.5
111.00828	1.4
117.01956	1.9
117.03490	2.3
119.05061	1.9
120.99667	100.0
121.02988	1.8
122.00076	11.2
122.99216	3.8
123.00900	6.9
124.01645	2.9
125.02463	55.7
126.02805	2.7
128.57515	1.5
131.05022	1.8
131.55334	1.5
135.04477	1.9
137.02444	2.9
138.60822	1.3
139.00360	2.5
145.02939	7.4
146.03302	2.5
146.34248	1.4
147.04480	2.9
149.02513	2.4
150.03172	1.5
151.00343	1.5
159.04491	1.8
161.02512	7.2
163.00356	2.5
163.04005	2.5
164.04779	2.0
165.01982	2.0
166.99815	1.6
168.00526	2.6
169.01437	59.3
170.01787	2.6
173.02383	3.1
175.03998	6.3
177.01944	2.6
177.05598	3.0
185.02510	2.4
189.01933	2.3
191.03456	3.8
193.01482	7.0
201.01897	3.1
203.03529	9.0
205.05080	3.5
207.02939	1.4
214.43912	1.6
219.02943	3.2
221.04491	2.7
229.01431	5.8
230.01970	1.5
231.02980	5.7
245.00923	3.6
247.02463	6.1
248.03006	2.7
249.04092	7.2
257.00919	5.0
273.00385	2.8
275.02011	15.9
276.02280	1.7
299.99191	2.3
300.99933	57.0
301.03391	2.8
302.00250	6.8
356.04724	1.8
377.03458	3.4
378.04233	2.7
382.04410	1.9
386.03973	2.0
432.05356	2.4
432.81561	1.7
440.04877	3.4
440.55359	1.6
445.04245	1.9
453.03775	14.2
453.54327	7.7
454.04657	14.3
454.54684	3.4
462.04465	24.6
462.54642	7.5
476.04227	10.1
476.54318	6.1
477.04517	2.0
483.04874	5.1
492.09451	1.7
493.13422	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	491.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30133	1.0
54.62117	1.1
55.01866	1.6
57.01679	1.0
57.03447	2.6
59.01389	100.0
60.01701	1.5
61.98822	3.7
64.80276	1.1
70.85200	2.4
71.01393	26.3
73.02947	10.7
83.01402	4.8
85.02976	15.3
87.00890	2.5
87.02251	1.0
89.02464	4.8
95.01408	2.1
99.00869	4.6
101.02456	30.2
107.49065	1.2
113.02455	13.3
115.04086	1.1
119.03481	2.7
125.02415	1.9
143.03493	2.1
148.75659	1.3
159.03009	3.9
161.03271	1.4
161.04578	20.6
169.01378	2.2
220.06223	1.3
269.21204	3.8
300.99905	1.4
356.46600	1.2
373.15308	1.6
403.16394	2.2
431.26501	27.0
432.26553	3.7
447.15744	1.6
491.14023	2.4
491.27509	1.7
491.33667	4.5
517.01776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30133	1.0
54.62117	1.1
55.01866	1.6
57.01679	1.0
57.03447	2.6
59.01389	100.0
60.01701	1.5
61.98822	3.7
64.80276	1.1
70.85200	2.4
71.01393	26.3
73.02947	10.7
83.01402	4.8
85.02976	15.3
87.00890	2.5
87.02251	1.0
89.02464	4.8
95.01408	2.1
99.00869	4.6
101.02456	30.2
107.49065	1.2
113.02455	13.3
115.04086	1.1
119.03481	2.7
125.02415	1.9
143.03493	2.1
148.75659	1.3
159.03009	3.9
161.03271	1.4
161.04578	20.6
169.01378	2.2
220.06223	1.3
269.21204	3.8
300.99905	1.4
356.46600	1.2
373.15308	1.6
403.16394	2.2
431.26501	27.0
432.26553	3.7
447.15744	1.6
491.14023	2.4
491.27509	1.7
491.33667	4.5
517.01776	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2286
Annotation	Scupolin J
Peak:m/z	Relative Intensity
55.01884	1.3
57.03453	1.7
58.00608	0.3
59.01386	8.6
61.98833	0.7
68.99827	0.9
69.03472	0.4
69.62641	1.8
71.01392	8.7
72.06048	0.3
72.99311	0.6
73.02953	3.5
77.02895	0.3
83.01399	2.3
85.02964	5.2
87.00858	0.5
89.02442	1.7
93.03468	34.1
94.03794	0.7
95.01400	1.8
96.99323	0.3
97.02981	0.3
98.33001	0.4
99.00896	1.2
101.02453	6.6
108.02174	1.0
111.00867	0.5
113.02469	3.4
117.03468	1.0
119.03502	0.3
119.05034	2.0
121.02949	1.4
123.00845	0.4
123.04536	4.2
125.02439	1.1
133.56160	0.3
135.04517	0.6
136.01677	3.2
137.02460	85.2
137.09682	0.6
138.02779	2.0
145.02974	3.6
147.04539	0.4
149.02431	0.4
149.06126	0.4
151.04027	1.9
154.01460	1.9
159.03021	0.3
161.04536	0.5
163.04036	2.2
165.05566	0.4
168.03036	6.2
169.01427	0.4
177.05560	0.5
177.09201	0.9
179.03563	0.9
191.03516	0.6
198.67332	0.3
209.15504	1.7
211.13515	0.4
221.04538	1.5
276.50723	0.4
281.06705	1.4
329.03006	0.7
329.06647	0.9
329.13928	5.6
329.23254	0.9
330.08347	1.5
340.87057	0.3
366.80652	0.3
397.28531	0.3
409.42972	0.3
453.21155	2.4
455.21844	0.5
491.22903	100.0
492.12146	0.5
492.23288	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	491.0837
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
59.01379	1.2
61.98849	0.4
64.36615	0.3
68.70212	0.4
69.66924	0.9
69.67339	1.4
71.01384	0.5
81.58817	0.4
96.95995	1.0
99.95192	0.3
123.04525	1.4
125.02485	0.5
140.01302	0.4
153.05606	0.8
160.01657	0.7
169.01422	0.7
175.04016	0.5
175.49493	0.4
177.17426	0.3
183.03079	0.5
224.00972	0.4
230.02219	0.4
242.02165	0.4
257.00992	1.2
258.01700	1.5
269.98093	7.3
270.98828	11.5
271.99304	0.7
283.99628	3.0
285.00424	15.6
286.01120	5.7
297.00247	0.9
297.97562	17.7
298.98340	31.8
299.98965	1.9
300.01682	0.4
311.99158	0.6
312.96085	0.5
312.99915	44.1
314.00687	54.7
315.01068	2.5
327.99164	0.5
328.02255	14.1
329.03036	100.0
330.03354	5.5
434.36456	0.5
448.55737	0.4
459.95087	0.4
476.05582	0.4
491.08353	89.3
492.08704	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92924	0.3
59.01386	1.7
61.98840	0.4
71.01385	0.5
71.57283	0.5
72.99291	0.3
75.21928	0.3
98.02470	0.7
101.02430	0.6
106.19946	0.4
108.85934	0.3
117.22081	0.4
120.99664	100.0
121.02968	1.5
122.00000	1.1
125.02463	1.8
132.18890	0.5
135.78278	0.4
145.02954	0.6
149.77019	0.4
160.13708	0.3
161.04591	0.4
165.01923	0.4
169.01463	1.8
209.01006	0.4
215.71687	0.3
275.01959	0.4
284.03311	0.6
285.04086	1.3
300.99973	1.2
401.14102	0.6
453.04022	0.6
491.12082	0.7
491.19803	0.4
506.07767	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.0835
Annotation	2,12-Dichloroisoplagiochin
Peak:m/z	Relative Intensity
51.11230	0.6
59.01379	5.4
65.00378	0.8
69.29553	3.8
69.29980	1.9
71.01434	2.1
71.05060	1.7
83.05047	1.4
85.02989	1.1
87.00928	0.7
89.02493	1.4
93.80154	0.6
97.03012	1.8
101.02439	1.4
107.01463	1.1
117.03481	1.4
119.03547	0.9
119.05003	3.5
120.05434	0.7
120.93795	0.5
120.99711	0.8
121.03019	1.9
123.00954	0.9
125.02458	10.5
125.03307	0.7
126.02793	0.7
133.02942	0.9
135.04584	0.9
137.02498	2.0
138.01918	0.7
139.00487	0.7
139.04036	15.1
145.02966	6.9
147.04623	0.8
160.04092	1.4
161.02487	1.7
161.04521	0.8
163.04060	1.9
165.01953	9.0
169.01456	15.0
170.01747	0.8
175.04094	1.7
175.11311	0.6
177.02014	0.7
179.05608	0.9
181.04939	0.7
183.03056	0.7
189.01930	0.6
190.02805	0.8
191.03745	0.6
197.99580	1.3
201.02039	0.9
203.03584	1.7
205.04967	0.7
211.02469	0.6
217.01520	0.7
229.01399	1.7
231.02977	0.9
235.06194	0.7
241.98711	0.8
245.00931	1.4
247.02431	2.2
248.03085	1.1
249.04010	1.3
254.99399	2.1
256.03476	0.6
257.01001	2.5
269.98083	24.8
270.98502	1.1
273.00372	1.3
275.02017	4.5
282.98947	0.8
285.00449	13.6
286.00839	0.7
291.01425	0.7
297.97565	54.3
298.97836	3.2
300.99921	10.1
302.00214	1.3
305.03125	1.3
307.08215	1.4
312.99921	100.0
314.00247	5.3
321.93750	0.7
323.04205	1.0
328.02264	65.8
329.02655	4.4
410.03174	0.7
453.03784	1.6
453.53540	0.8
469.04898	1.0
473.45926	0.6
476.05963	7.7
491.08237	69.6
492.08463	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	489.3591
Annotation	Lycernuic acid E
Peak:m/z	Relative Intensity
54.84450	0.4
59.01306	1.9
69.31828	3.4
71.38662	0.4
73.02357	0.4
78.68278	0.5
80.24230	0.3
86.07166	0.4
90.47686	0.3
95.10729	0.4
95.22871	0.4
115.67667	0.3
136.95647	0.4
155.69591	0.4
163.46231	0.3
219.17377	0.6
221.15404	0.9
223.16974	1.4
233.19156	0.4
244.53729	0.4
249.18527	1.5
267.19531	1.0
287.20120	1.0
289.21701	0.7
330.89087	0.5
371.33200	0.5
383.29178	0.4
387.97372	0.4
411.32623	0.5
425.34180	1.7
427.35828	60.3
428.36255	6.1
429.33682	0.6
437.12344	0.4
448.38498	0.4
452.33688	0.4
489.35904	100.0
490.36374	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3593
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
50.16891	0.2
50.56068	0.2
58.00593	0.2
59.01383	0.5
70.14407	0.2
98.20671	0.4
106.42146	0.2
147.21945	0.2
163.98036	0.2
181.11630	0.2
234.68175	0.2
257.10611	0.2
281.25348	0.2
328.15469	0.2
346.63049	0.2
391.29858	0.2
423.32669	0.7
425.34143	0.5
439.32382	0.4
441.33844	0.5
443.35510	0.7
469.33340	0.5
471.34473	0.3
487.34280	2.3
488.34930	0.3
489.35852	100.0
490.36209	10.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.5
58.35950	1.2
59.01385	27.2
61.98829	12.4
69.03446	1.4
69.28341	13.4
71.01385	9.6
73.02931	3.6
83.01387	2.5
83.05054	1.5
84.53613	1.6
85.02946	7.5
89.02487	3.7
95.01384	4.1
95.04992	1.7
97.06612	4.0
98.20631	2.3
99.00920	1.4
101.02451	6.2
103.39468	1.5
107.01420	1.8
109.02932	1.7
109.06632	1.3
111.00909	2.4
113.02448	5.4
117.03509	2.8
119.03595	1.9
119.05058	2.8
120.66644	1.5
121.02965	3.5
123.00893	14.1
123.04596	1.6
125.02432	8.8
133.02936	6.8
133.46394	1.4
135.04536	3.5
137.02501	2.9
137.09769	1.6
138.02296	1.9
138.03226	11.1
139.00378	3.6
140.01175	3.4
145.02946	8.3
149.02461	2.0
151.00386	4.1
153.01952	4.8
153.05557	3.1
155.10725	2.0
161.02275	1.7
161.04649	1.5
163.04034	1.8
166.99854	8.6
168.00610	8.6
169.01448	12.4
170.01868	1.8
171.10274	6.9
175.03983	2.3
177.04054	1.6
179.03542	3.2
182.02226	20.7
183.13872	2.5
185.11865	1.5
197.04567	47.5
199.04010	2.1
203.07065	3.0
209.11821	3.6
211.13397	15.3
221.11871	3.1
229.14363	12.6
239.05609	1.8
239.12708	2.0
267.15994	6.2
279.06595	10.1
285.04062	77.8
286.04285	4.6
291.19720	3.5
309.07593	2.1
309.20801	2.3
327.05038	7.0
327.08725	3.4
327.12680	4.1
327.21774	100.0
328.22131	8.3
329.05133	5.1
444.16492	2.9
451.19055	1.5
489.14474	4.5
489.21786	12.8
489.32941	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	489.3227
Annotation	Homaline
Peak:m/z	Relative Intensity
59.01381	1.5
60.03967	0.3
62.63182	0.3
69.34334	0.7
69.34728	2.2
73.02937	0.5
89.73028	0.3
96.95972	0.3
173.23366	0.3
183.69827	0.3
191.14529	0.4
237.15092	0.5
293.21262	0.4
445.32944	0.4
489.32196	100.0
490.32550	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3591
Annotation	Cycloastragenol
Peak:m/z	Relative Intensity
52.61299	0.2
57.03447	0.3
59.01384	0.5
62.90601	0.2
69.76511	1.1
71.05025	1.8
82.48634	0.2
83.05026	0.3
87.63283	0.2
89.82341	0.2
101.02472	0.2
109.06609	0.3
114.59859	0.2
129.29991	0.2
132.10884	0.2
177.17239	0.2
216.02641	0.2
303.27130	0.2
335.57123	0.2
342.88760	0.2
381.28281	0.3
385.42200	0.2
395.33444	0.4
397.31067	0.4
411.33273	0.3
425.34195	0.3
427.32260	1.0
429.33743	6.9
430.34256	0.8
489.35931	100.0
490.36298	13.8
505.52075	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22383	0.3
57.03441	0.3
59.01386	2.2
61.98835	0.7
69.29346	0.5
69.29746	2.1
71.01407	0.7
71.05031	1.4
75.43462	0.2
78.95931	0.3
95.24677	0.3
96.10662	0.3
98.20622	0.5
109.06645	0.3
128.43468	0.2
129.38866	0.3
150.01791	0.2
165.12865	0.5
203.17667	0.3
246.03200	0.3
247.18121	0.3
247.20726	0.4
291.19681	4.8
292.19974	0.6
339.03638	0.3
355.71454	0.3
411.33035	0.5
427.32080	0.8
429.33789	5.6
429.39188	0.4
439.31598	0.4
441.29706	0.4
445.33072	0.5
469.32486	0.7
471.34210	0.5
489.36008	100.0
490.36343	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	489.3593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44582	0.3
57.03456	0.4
59.01389	2.0
61.98821	0.4
71.01404	0.6
71.05031	1.3
73.02943	0.3
78.95913	0.4
83.05026	0.4
89.69305	0.3
93.84456	0.3
95.89146	0.2
96.22881	0.3
97.06643	0.4
98.20669	0.6
101.02454	0.3
137.02559	0.4
161.04524	0.3
165.12822	0.8
174.67651	0.3
239.05730	0.4
247.20816	0.4
273.18921	0.4
291.19693	5.8
292.20200	0.5
300.99918	0.3
329.86353	0.3
377.89270	0.4
411.33075	0.4
427.32248	0.4
429.33813	5.3
430.34085	0.6
430.89896	0.3
469.32715	0.5
471.31195	0.6
473.33240	0.4
489.36032	100.0
490.36362	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	489.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45631	2.2
59.01391	8.2
59.94097	2.2
61.98842	2.4
69.34270	7.9
69.34701	11.3
71.01385	4.1
71.05021	3.1
76.28616	2.2
96.96023	3.1
140.57231	3.0
156.57689	2.4
165.12874	15.7
190.99606	2.4
197.02185	8.6
214.56779	2.2
247.20654	6.5
273.18784	5.4
291.19699	100.0
292.20068	7.6
445.33453	3.3
471.31174	6.3
488.35214	3.2
489.32104	25.3
489.35828	24.7
490.36462	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	489.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99655	0.8
55.01876	1.5
57.03469	1.6
59.01112	1.4
59.01389	21.7
60.25687	1.0
61.98846	3.9
64.72786	0.7
68.99574	7.1
69.03436	0.9
69.64554	2.5
69.64971	2.3
71.01397	11.5
71.05046	1.1
72.99317	7.8
73.00636	0.8
73.02956	3.7
75.00880	0.9
83.01410	1.4
83.05015	0.8
85.02976	5.6
85.77387	0.8
87.00898	1.1
89.02454	5.0
93.03484	5.4
95.01422	1.6
97.06590	1.9
99.00880	1.6
101.02449	6.7
101.83848	0.9
105.69369	0.8
112.98588	9.0
113.02442	3.7
117.03461	1.5
119.03506	1.7
119.05012	1.0
121.02979	0.9
121.10244	0.8
123.00887	1.6
123.04518	2.6
125.02434	3.0
125.09731	2.0
127.11295	2.2
133.02942	0.8
135.04550	6.3
136.01686	2.3
136.05298	2.2
137.02464	11.6
139.00360	0.7
145.02977	4.1
148.04030	1.7
151.04030	1.3
155.10812	8.5
161.04500	1.6
165.12886	1.5
169.01370	2.6
171.10289	12.4
179.03488	13.0
180.04248	4.0
183.13983	1.4
185.11896	1.8
197.02841	1.2
197.04559	9.3
209.04501	2.7
209.11789	3.6
211.13423	9.9
224.39418	0.9
229.12325	1.3
229.14473	24.0
230.14868	1.2
239.05627	7.9
240.05925	1.1
243.26605	0.8
267.15961	2.8
268.13486	1.8
283.10751	1.5
285.04083	1.4
291.19644	6.9
309.20807	5.9
311.22363	1.9
316.30786	0.8
327.08951	0.9
327.12671	2.5
327.21732	8.5
343.10226	1.6
391.19656	1.9
395.14612	0.9
411.08353	0.8
457.33051	1.7
471.31354	1.4
489.03537	1.7
489.14450	9.1
489.26959	100.0
489.32526	30.9
490.26797	9.6
490.33926	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	489.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.3
57.03451	2.3
58.00597	1.8
59.01387	46.8
61.98825	5.0
64.73547	0.8
71.01390	20.2
71.57472	0.8
71.57894	1.0
72.99316	3.2
73.02962	2.4
83.01402	2.0
85.02969	5.8
86.83794	0.7
87.00878	1.6
87.04534	1.0
89.02457	18.4
95.01405	2.0
98.47422	0.8
99.00906	1.2
101.02464	14.3
107.04999	1.0
107.08694	1.3
111.00900	0.9
113.02467	7.8
117.03495	2.6
119.03531	6.6
119.04995	4.0
119.08714	1.4
121.02994	2.7
123.00909	1.2
123.04593	0.9
125.02477	2.8
125.09775	1.8
127.11317	1.5
132.02220	2.0
134.03784	1.4
135.04578	2.9
136.01680	11.7
137.06184	1.1
145.02971	9.8
147.04510	0.9
148.05374	0.9
151.00444	1.0
151.04036	15.0
151.05135	1.5
155.10768	1.1
155.81981	0.7
160.01660	4.0
161.02458	1.9
161.04536	1.4
163.04060	3.4
164.20186	0.8
165.09187	1.2
169.01422	3.8
170.01703	0.9
171.10287	5.8
175.04111	4.8
181.05060	2.7
183.10292	1.1
197.04703	0.9
201.11348	17.8
209.11879	1.5
218.04697	0.9
221.15523	3.0
223.17114	2.3
229.19733	1.1
267.16016	5.1
273.18744	1.8
273.27304	1.0
285.04108	2.5
291.19806	2.9
307.08347	1.7
309.20734	10.7
327.21863	2.7
337.09393	3.5
343.10858	1.1
369.18008	1.0
439.18469	0.9
471.20596	1.4
471.26581	1.1
489.27252	100.0
490.27554	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	489.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	13.2
70.48582	0.9
70.86909	1.2
70.87227	1.8
71.01388	8.2
72.99341	1.2
73.02933	1.7
78.35862	1.0
78.95910	2.1
83.01373	1.3
83.17632	0.8
85.02965	3.7
87.00886	2.6
89.02446	5.6
93.03448	1.8
95.01415	1.3
96.96031	2.1
97.02937	1.1
101.02479	8.1
102.15977	0.9
107.01373	1.4
109.02942	1.1
113.02453	4.1
117.03482	23.3
118.03782	1.3
119.03577	2.1
119.05036	32.7
120.05357	1.3
121.02958	1.8
123.00890	2.8
124.01624	1.2
125.02449	5.8
131.03499	1.1
133.06599	2.0
137.02441	1.1
139.03946	0.9
140.19891	0.9
145.02968	100.0
146.03300	3.3
149.71910	0.9
161.02438	1.1
161.06119	10.1
163.04022	55.1
163.06180	2.4
164.04391	2.2
169.01453	8.1
177.05576	4.0
179.05508	1.1
181.07205	2.6
188.14030	1.0
191.03537	1.9
195.06686	1.3
201.01910	1.2
205.05121	10.0
235.06143	3.4
245.00995	1.7
263.78735	1.2
265.07178	9.0
273.00409	2.9
275.01907	1.5
291.13428	1.1
297.04016	2.0
300.99878	4.2
387.17090	1.6
393.04681	1.0
419.94223	1.1
453.10620	1.1
489.16183	79.7
490.16571	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	489.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.9
58.00620	0.6
59.01381	13.3
61.25669	0.6
61.98832	1.0
64.60778	0.5
68.99833	0.6
69.43604	1.0
69.44014	2.9
71.01386	9.0
71.36666	0.5
73.02948	1.4
83.01392	1.2
85.02956	3.7
85.42751	0.6
88.28551	0.5
89.02438	3.6
92.02684	1.2
93.03467	40.2
94.03775	0.7
95.01395	2.3
98.19905	0.8
101.02444	4.2
107.05023	1.3
108.02185	1.3
111.00928	0.5
113.02459	4.6
119.03488	0.5
119.42005	0.5
121.02972	1.4
121.06607	1.2
125.02479	0.7
135.04543	2.8
136.01665	14.8
137.02455	100.0
137.09735	7.1
138.02812	2.8
139.00409	0.6
149.02461	2.1
151.04028	6.3
155.10793	1.3
168.00659	1.1
169.01410	1.1
171.10266	1.2
179.03511	70.0
180.03854	2.4
192.86530	0.6
194.38670	0.6
209.04559	29.0
210.04826	1.2
211.13434	1.0
221.04523	0.6
229.14384	2.9
233.04593	1.7
239.05620	86.7
240.05934	3.6
281.06732	0.9
291.19574	1.0
299.07748	12.3
300.08154	0.7
309.20874	0.7
327.21808	0.8
383.24866	0.5
427.12134	0.6
489.21118	2.5
489.27084	12.7
489.32632	2.6
490.27411	1.3
505.29657	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30275	1.3
51.66455	1.2
57.03443	3.1
59.01157	1.4
59.01384	18.8
60.23817	1.2
70.04601	5.4
71.01390	100.0
72.99317	32.5
78.95911	3.2
83.47053	1.4
87.00886	34.0
89.02439	10.7
96.36010	1.5
96.96960	4.1
98.20547	2.5
101.02442	4.8
113.02460	4.2
115.00380	26.0
119.03518	4.8
121.91047	1.6
129.01962	6.6
140.71446	1.8
141.92593	1.5
143.03517	1.8
147.03018	92.2
147.06636	2.6
148.03317	2.9
161.04521	2.6
169.01430	1.5
179.05635	8.0
202.19939	1.6
221.04518	3.0
244.95226	1.6
265.03665	2.6
277.05557	1.4
337.07816	4.4
341.10925	29.7
445.09393	1.9
489.08554	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	487.3433
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
54.88003	0.4
55.17620	0.4
57.03448	1.0
60.99302	1.3
63.28974	0.3
67.12590	0.4
86.14397	0.4
89.23467	0.4
90.26494	0.4
98.20651	1.1
109.77742	0.3
121.23261	0.4
122.82543	0.4
214.57765	0.4
349.25589	0.4
351.27090	0.6
356.21271	0.5
369.28076	0.6
377.28452	1.0
391.30115	0.6
393.31772	1.7
405.31879	0.5
407.29099	0.5
423.32864	3.7
424.32877	0.5
425.30859	0.8
435.28915	0.5
437.30585	6.8
438.30917	0.9
451.32022	0.6
467.31677	4.0
469.33499	4.9
470.33795	0.5
487.34351	100.0
488.34808	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	487.3426
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.80708	0.0
59.01378	0.2
61.98829	0.1
68.52964	0.0
69.23821	0.4
71.01380	0.1
73.02943	0.1
73.37830	0.0
84.92056	0.0
96.24056	0.0
101.02457	0.1
102.91843	0.0
107.01389	0.1
111.79315	0.0
123.00883	0.2
125.02468	0.2
139.00359	0.1
140.01143	0.0
140.02275	0.0
145.02960	0.1
149.66449	0.0
151.00371	0.2
160.70003	0.1
169.01477	0.2
172.58742	0.0
197.58423	0.0
310.06329	0.0
325.07153	0.1
363.26923	0.2
377.28635	0.1
379.30292	0.3
391.30145	0.2
393.31711	0.1
401.29050	0.1
407.29724	0.1
409.31131	1.0
410.31577	0.1
421.31400	0.3
451.19800	0.1
456.73907	0.1
473.32901	0.1
487.34299	100.0
488.34641	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	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23800	0.8
65.48817	0.8
69.43785	4.0
69.44189	1.4
71.04919	0.8
76.46516	0.7
93.81266	0.8
97.06482	4.0
121.93977	0.7
133.50185	0.7
161.58487	0.8
191.14331	1.3
281.55011	0.8
339.31061	0.8
389.28363	1.1
391.30057	1.9
393.27969	1.0
405.31763	4.8
407.28699	1.0
407.33353	13.3
408.33792	1.4
409.30872	1.8
423.32919	1.6
425.34311	1.0
436.36197	0.8
439.32394	0.8
441.33829	14.2
442.34103	1.7
449.30798	1.9
451.32169	19.8
452.32883	1.0
453.33771	100.0
454.34052	10.5
454.39792	1.1
467.31595	3.8
468.32321	0.8
469.27490	0.8
469.33014	4.1
471.34875	1.0
485.32501	0.9
487.34351	29.0
488.35040	3.4
497.32922	1.8
513.32428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3434
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
59.01404	0.5
70.75477	0.2
71.27259	0.4
88.04095	0.8
99.16700	0.3
106.36135	0.3
111.08218	0.3
123.60338	0.3
126.08772	0.3
162.82196	0.2
188.72835	0.3
223.20695	2.0
229.69585	0.3
267.13794	0.3
338.22220	1.1
383.29529	0.6
397.34808	0.5
399.36359	4.4
400.36688	0.4
407.33295	1.0
409.31320	0.3
425.34253	1.0
443.35342	38.8
444.35703	4.0
469.33295	2.0
487.34320	100.0
488.34665	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	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.9
58.00781	0.8
70.02626	1.4
71.04920	0.5
71.23112	0.4
74.40221	0.4
97.06477	0.9
98.19947	0.6
110.34023	0.4
120.78591	0.4
139.40070	0.4
153.08987	0.5
178.96820	0.4
274.13708	0.4
374.26056	0.5
374.74692	0.5
381.27927	0.4
387.30627	1.0
389.28561	4.8
390.28604	0.6
405.31735	0.8
406.28705	4.6
407.29495	1.9
421.31177	3.2
423.32739	11.1
424.33261	1.1
439.28418	1.2
443.35086	0.7
450.78345	0.5
469.33246	58.0
470.33618	6.6
487.34348	100.0
488.34760	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	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
63.13105	0.3
71.02274	0.8
71.02612	0.4
72.98351	0.4
108.04930	0.4
210.98566	0.4
264.72482	0.4
487.34308	100.0
488.34622	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	487.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31436	1.5
65.91686	1.3
68.09217	1.5
70.12658	6.2
70.36853	1.3
79.57229	1.4
97.06601	5.3
98.19947	1.8
181.85387	1.5
215.12828	1.5
245.84496	1.5
317.91992	1.4
361.88153	1.4
363.12955	1.6
377.28540	1.6
389.28568	2.9
391.30264	7.4
393.31604	5.2
405.31699	6.2
407.33350	12.0
409.30975	2.2
423.32962	2.1
430.89606	1.6
437.30615	10.5
439.32098	5.7
441.33728	21.3
442.34094	2.2
449.30902	2.0
451.32129	16.1
453.33759	100.0
454.34070	13.9
467.31830	2.5
469.33261	55.6
470.33627	4.7
487.34354	86.3
488.34946	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3432
Annotation	Unknow
Peak:m/z	Relative Intensity
70.02755	1.2
81.91990	0.3
87.46358	0.3
108.17105	0.2
137.55440	0.3
165.59909	0.3
240.94035	0.3
291.81842	0.3
306.39432	0.3
409.31198	0.8
487.34332	100.0
488.34637	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	487.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71503	0.6
55.15704	0.7
59.21650	0.7
62.34542	0.5
63.49760	0.6
70.60987	0.9
70.61362	1.8
106.86427	0.7
121.06931	0.5
129.18993	0.6
143.70702	0.7
147.63599	0.7
207.22762	0.6
225.37654	0.6
346.97733	0.7
455.32077	1.4
467.31570	1.4
487.34354	100.0
488.34644	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	487.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.6
57.03436	3.1
58.00591	2.1
59.01385	70.9
61.98836	10.0
68.99827	1.0
69.03469	2.2
71.01387	85.6
71.05014	1.1
72.01741	1.6
72.99313	2.9
73.02555	1.6
73.02955	28.4
75.00867	1.2
81.03478	1.4
83.01394	9.4
84.18906	0.8
85.02961	28.9
87.00875	3.1
89.02452	97.0
95.01393	3.8
97.02950	3.6
99.00892	30.3
101.02453	69.7
111.00790	1.1
112.08625	0.9
113.02467	28.8
115.04028	1.5
119.03519	9.1
122.06123	1.6
125.02455	8.9
131.03519	22.6
134.63251	1.0
135.08136	1.5
137.09731	2.3
143.03505	4.6
146.63860	0.9
149.04567	80.8
150.04904	1.0
152.07159	2.3
155.10831	7.5
159.02971	2.4
161.04572	17.9
169.01361	1.3
173.02650	0.9
179.05603	3.1
191.05624	15.9
199.09850	1.7
221.06705	3.0
233.06667	2.3
251.07779	8.1
293.08780	2.7
355.21274	14.3
356.21655	1.0
357.42474	0.9
389.46457	1.0
441.33099	1.4
451.25571	1.7
469.20135	1.3
469.33160	3.3
486.32953	1.5
487.25470	52.9
487.34100	100.0
488.26144	6.8
488.34698	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	487.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	0.5
59.01386	3.4
60.99319	1.7
61.98832	1.5
69.90868	0.3
71.01383	2.5
73.02946	1.2
79.53803	0.3
83.01389	0.4
85.02949	1.0
89.02451	1.2
94.06617	0.6
98.19733	0.8
99.00926	0.7
101.02460	2.3
107.03774	1.4
113.02452	1.0
114.13128	0.3
119.03532	0.5
122.06137	5.8
134.06119	1.1
152.07185	8.7
161.04572	0.7
229.66069	0.4
235.08795	0.8
236.09514	0.5
249.06688	0.5
249.10249	0.8
251.11877	2.1
262.07648	0.7
263.08212	2.4
264.09091	4.4
276.09149	0.6
277.10086	0.9
278.10635	1.3
279.11432	9.3
291.11484	2.9
305.09433	0.6
322.09668	0.4
323.10364	1.7
335.10422	0.4
351.27112	0.9
355.21292	1.4
369.27814	0.4
377.28494	1.1
391.30136	0.4
393.31854	2.0
401.27151	0.7
423.32629	2.9
424.33380	0.6
439.32568	0.5
441.33890	0.6
444.19287	3.6
460.18777	0.7
469.33078	0.9
470.16949	0.7
472.65579	0.5
487.34329	100.0
488.18353	13.7
488.34552	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	487.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.7
57.03454	0.9
59.01389	6.3
61.98829	3.8
65.00339	0.4
67.01887	0.7
68.99841	0.4
69.03455	0.5
69.21621	3.9
71.01389	3.7
72.99309	0.7
73.02943	1.3
74.24221	0.5
79.01888	0.9
83.01400	0.9
85.02971	2.5
87.00911	0.5
89.02433	1.0
91.41766	0.4
93.03464	0.6
94.94933	0.5
95.01387	1.9
95.85142	0.4
97.02956	1.0
99.00885	0.9
101.02457	3.7
104.17671	0.4
105.49673	0.5
107.01413	3.9
107.05042	0.5
108.02174	0.4
111.00907	2.8
113.02446	2.0
115.06548	0.4
116.31604	0.4
117.03452	2.0
119.05046	2.2
121.02898	0.7
123.00900	14.6
124.01705	1.4
125.02464	15.8
126.02815	0.4
127.00418	0.8
133.02899	0.4
135.04538	19.3
136.04869	0.5
136.98833	1.1
137.02437	1.0
138.01976	2.9
139.00385	5.4
139.02296	0.7
140.01186	4.6
141.01939	1.4
145.02963	10.2
151.00386	11.3
151.04036	0.7
153.01964	0.7
154.10791	0.4
157.84369	0.4
161.02431	2.5
161.04640	1.0
161.06134	0.6
163.04047	2.6
168.00693	3.9
169.01437	18.2
170.01756	1.2
179.03517	10.4
179.07085	0.7
179.10776	0.6
181.05067	0.6
281.12527	0.7
282.11389	0.8
289.17868	0.5
293.08890	0.4
300.99734	0.6
307.08218	6.9
313.05698	0.9
323.07614	0.8
325.01785	1.2
340.89621	0.5
341.08713	1.2
443.13470	1.9
451.20380	0.6
487.21875	100.0
488.10834	0.6
488.22333	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	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26375	0.3
55.01876	0.8
57.03454	0.3
59.01160	0.2
59.01390	3.0
61.98835	0.4
65.00314	0.4
67.01882	0.9
69.03448	0.4
69.31424	2.5
71.01392	3.2
72.78329	0.3
72.99298	0.4
73.02953	1.1
79.01891	1.5
83.01383	1.0
85.02966	1.8
86.00124	0.3
87.00906	0.6
89.02450	0.4
95.01399	1.8
95.96549	0.3
97.02941	0.7
98.19896	0.4
99.00887	0.5
101.02459	2.9
107.01398	3.4
110.00092	0.7
111.00888	2.8
112.51267	0.3
113.02445	1.1
117.03456	0.4
119.05018	0.4
123.00902	15.3
124.01657	1.1
125.02464	14.6
127.00371	0.8
133.03044	0.3
135.04510	2.1
136.98859	1.8
139.00371	6.5
140.01184	4.2
141.01974	1.9
145.02937	1.0
149.02483	0.3
151.00381	12.8
151.04033	0.5
152.00665	0.5
153.01979	0.8
161.02426	0.9
163.04031	0.5
165.03986	0.3
165.17844	0.3
166.99901	0.3
168.00638	4.1
169.01439	19.5
170.01741	0.6
171.51497	0.2
179.03494	1.5
181.05078	0.4
195.02972	0.3
211.02545	1.0
253.03661	0.5
265.14331	0.3
271.04593	0.5
307.22687	0.2
313.05713	0.6
486.20618	0.3
487.21854	100.0
488.22217	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
59.01392	5.3
61.98841	1.5
67.01920	0.7
69.61166	3.4
71.01403	4.7
72.99310	1.5
73.02947	1.6
74.96778	0.6
79.01907	1.6
81.03439	0.8
83.01389	0.9
85.02953	2.4
89.02446	1.1
90.01118	0.7
93.03499	0.8
95.01406	1.5
96.96008	1.3
96.96980	0.7
97.02939	0.8
99.00909	0.9
101.02448	2.9
107.01408	4.6
111.00856	3.2
113.02481	1.1
116.45823	0.6
117.03482	21.1
119.05035	11.4
120.05383	0.7
121.03012	0.8
123.00904	16.4
124.01639	1.3
125.02460	18.5
127.00394	1.1
135.04514	1.5
136.98848	1.6
139.00389	8.2
140.01175	3.6
141.01926	2.3
145.02966	76.4
146.03775	11.2
147.04523	0.9
151.00395	11.8
153.01944	1.2
161.04874	0.9
161.06093	4.0
163.04024	10.1
164.04822	8.4
165.05499	0.6
168.00670	5.0
169.00003	1.4
169.01437	22.0
170.01834	0.8
177.01898	0.8
179.07161	12.9
180.07372	0.8
211.02509	1.0
307.08246	35.9
308.08508	2.6
313.05786	1.1
325.03500	1.2
474.26224	0.7
487.16052	13.2
487.21973	100.0
488.16266	1.4
488.22354	10.6
495.96921	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56044	0.4
57.03433	1.0
59.01382	5.8
61.46920	0.4
61.98832	3.4
65.00316	0.5
67.01888	1.1
69.03464	0.6
69.39830	3.5
71.01389	4.5
72.99310	0.5
73.02943	1.6
75.43511	0.4
79.01902	0.9
81.03431	0.7
83.01391	1.1
85.02951	1.8
89.02464	1.2
93.03474	0.6
95.01413	2.1
97.02954	0.6
99.00894	0.9
101.02448	3.6
107.01399	3.8
107.05043	1.0
109.02998	0.6
110.00056	0.8
111.00887	3.1
113.02452	1.9
117.03466	2.4
119.05059	2.3
121.02938	1.1
123.00895	14.7
124.01655	0.9
125.02461	14.5
127.00391	0.9
135.03493	0.9
135.04536	17.6
136.04829	0.5
136.98796	1.2
137.02441	1.2
138.01926	2.7
139.00389	6.4
139.02321	1.0
140.01207	3.6
141.01903	2.1
143.03571	0.7
145.02963	8.7
151.00375	11.3
151.03976	0.8
153.01845	0.6
161.02467	1.8
163.04045	2.6
168.00658	3.3
169.01440	17.6
170.01761	1.0
177.05713	0.6
179.03522	8.9
179.10690	0.8
181.05074	0.8
189.37292	0.5
205.05144	0.7
211.02483	0.5
293.08810	0.6
307.08255	5.9
323.07886	1.1
325.01761	1.0
341.08740	0.9
443.13342	2.4
451.20087	1.4
487.21884	100.0
488.22168	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	487.2108
Annotation	11-Methoxykopsilongine N(4)-oxide
Peak:m/z	Relative Intensity
59.01388	100.0
61.98841	36.8
69.32452	52.8
71.01389	18.9
75.23618	5.8
79.79790	6.3
89.02464	16.4
98.20720	10.9
99.00781	6.4
101.02467	12.5
117.03489	11.6
119.05032	8.0
121.02977	57.2
123.00909	6.1
125.02452	10.8
137.02429	17.7
145.02968	34.4
151.04007	11.5
154.58011	6.2
155.10815	26.1
161.04742	6.9
163.03995	8.3
180.04369	11.1
195.06662	22.5
215.83693	6.1
281.08142	38.2
293.08765	7.8
302.75101	5.8
325.07199	66.3
326.07333	7.2
355.08014	9.4
487.21185	45.7
487.27100	9.9
487.34164	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.9
67.01898	0.7
71.01385	3.1
72.99298	0.4
73.02960	1.1
79.01894	1.1
83.01415	1.1
85.02952	1.7
87.00850	0.4
89.02423	0.6
95.01405	1.3
97.02961	0.4
98.19873	0.8
101.02442	2.6
107.01402	3.3
111.00902	2.3
113.02435	1.2
117.03484	4.4
118.39185	0.4
119.05041	1.1
120.70314	0.4
123.00898	14.4
124.01638	1.5
125.02458	13.6
126.21050	0.4
127.00371	0.6
136.98817	1.3
137.02473	0.4
139.00389	5.1
140.01192	3.7
141.01936	2.3
145.02966	17.9
146.03326	0.8
150.99191	0.6
151.00378	8.9
153.01970	0.8
159.08478	0.4
163.03969	2.2
168.00659	3.2
169.01434	20.7
181.04956	0.5
185.44417	0.4
198.35262	0.4
200.25443	0.4
211.02461	1.1
223.02388	0.4
229.45612	0.5
271.04633	0.9
313.05447	1.5
451.19727	13.1
452.20041	1.1
487.21863	100.0
487.33936	3.2
488.22223	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	487.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21646	0.4
54.87717	0.4
55.01873	0.5
59.01395	3.8
59.57237	0.5
61.98825	1.1
63.33544	0.5
67.01884	0.6
69.03456	0.5
71.01384	3.2
73.02957	1.1
73.42229	0.4
79.01875	0.5
82.55336	0.4
83.01405	1.2
85.02956	1.8
87.00859	0.5
89.02450	1.1
95.01399	1.3
96.96957	0.7
99.00878	0.6
101.02457	2.0
107.01388	1.8
107.05045	1.0
111.00861	1.4
113.02472	1.5
117.03476	25.0
118.03826	1.1
119.05027	11.3
121.02940	1.0
123.00901	7.1
124.01678	1.1
125.02454	9.3
127.00359	0.7
135.04533	2.0
136.98822	1.2
139.00388	2.8
140.01140	2.1
141.01924	0.7
145.02963	100.0
146.03784	13.1
151.00378	6.1
153.01927	0.6
161.04768	0.7
161.06088	4.5
163.04024	9.4
164.04808	9.1
165.05486	0.6
168.00661	2.5
169.01428	11.9
177.01958	0.9
179.03586	1.0
179.07156	12.1
179.08789	0.7
180.07567	0.6
187.04027	1.3
205.05144	0.6
247.06078	0.6
271.04605	0.6
301.00067	0.5
307.05518	0.7
307.08240	42.2
308.08536	3.5
487.15964	16.2
487.21951	45.8
488.16327	1.8
488.22311	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	487.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12605	0.5
59.01383	4.0
61.98846	0.5
67.01877	0.5
71.01394	3.8
71.57268	0.6
72.99345	0.5
73.02945	1.4
77.68935	0.5
79.01894	0.9
81.25986	0.5
83.01407	0.8
85.02964	1.9
89.02469	1.0
95.01379	1.9
97.02982	0.7
101.02441	2.1
107.01394	2.9
107.05021	0.9
110.00109	0.6
111.00899	2.0
112.72792	0.5
113.02457	1.8
117.03474	25.7
118.03805	1.2
119.05039	13.3
120.05331	0.9
123.00903	9.4
124.01674	0.8
125.02457	11.1
127.00388	0.6
132.58485	0.5
135.04524	1.2
136.98885	0.5
139.00391	4.4
140.01175	2.2
141.01941	1.7
145.02966	100.0
146.03769	14.8
147.04410	1.1
149.02435	0.6
151.00371	7.8
159.04517	0.6
161.04764	0.8
161.06081	5.2
163.04016	11.1
164.04796	10.2
168.00681	3.2
168.80840	0.6
169.01451	14.9
177.01949	1.1
178.02391	0.9
179.03621	0.9
179.07147	11.8
180.07506	0.6
187.04102	0.6
190.15100	0.5
205.05115	1.1
211.02490	0.8
221.24451	0.5
232.03712	0.7
265.10745	0.5
290.50916	0.5
307.08258	44.1
308.08691	2.6
325.03580	0.8
443.19006	0.6
487.15967	18.3
487.21997	63.4
488.16327	1.3
488.22354	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	487.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44922	0.4
53.57976	0.4
55.01861	0.6
55.37709	0.4
55.39116	0.4
55.70861	0.4
57.03456	0.7
59.01384	11.5
61.98834	5.1
67.01895	0.9
69.03456	0.7
71.01390	7.4
71.57558	0.4
72.99320	1.1
73.02965	1.9
75.00899	0.8
78.95914	1.2
79.01923	1.1
82.13118	0.4
83.01405	1.6
85.02963	3.3
87.00881	0.9
89.02464	2.6
93.03459	0.7
95.01410	2.0
96.96017	1.7
96.96978	2.0
97.02980	1.2
99.00874	0.6
101.02457	4.5
107.01420	2.5
107.05036	2.0
109.02937	0.8
110.00136	0.8
111.00912	2.5
113.02461	2.5
115.92083	0.7
117.03480	7.6
119.03582	1.0
119.05040	15.3
121.02992	0.9
121.46072	0.4
123.00894	12.5
124.01662	0.7
125.02459	14.2
127.00418	1.1
133.02971	13.6
134.03777	3.7
135.04539	100.0
136.04845	3.4
136.98865	0.9
137.02449	1.3
138.01955	1.5
139.00386	4.9
139.04054	0.6
140.01183	3.2
141.01939	1.5
145.02971	20.7
146.03429	0.5
149.06075	2.2
151.00383	8.5
151.04077	0.7
151.07677	0.8
153.01877	0.6
157.91348	0.5
159.13049	0.5
161.02460	37.6
161.04593	1.1
161.06076	0.9
161.09692	0.8
162.02823	1.2
163.04012	7.2
163.07672	2.0
164.04475	0.6
166.99828	0.6
167.03490	0.5
168.00624	4.0
169.01439	17.3
175.04013	0.8
177.01978	1.7
177.05580	3.8
179.03516	95.7
179.10797	1.8
180.03879	4.1
183.02954	0.9
187.04012	0.6
189.05579	0.6
191.03557	0.7
193.05051	0.6
203.03453	1.1
203.14432	0.5
211.02489	1.6
221.04584	6.5
225.12787	0.9
251.05623	7.1
265.14438	1.5
271.04572	1.3
281.06662	8.6
281.12189	0.5
300.99976	1.8
307.08255	8.9
307.19049	0.5
308.08658	0.6
313.05640	1.1
323.07742	15.1
324.07907	1.0
325.20322	0.5
333.91724	0.5
341.08820	13.2
443.13635	0.7
469.17212	0.5
487.12491	11.9
487.21829	65.2
487.33963	2.0
488.12717	1.9
488.22333	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	487.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38191	0.4
59.01373	2.9
61.98836	1.0
69.47008	3.1
71.01378	2.9
72.56083	0.4
73.02971	0.9
77.61674	0.4
78.95915	0.5
85.02976	1.7
88.81641	0.4
89.02447	1.0
93.03494	0.7
98.20685	0.7
101.02448	1.2
105.03450	0.8
107.05024	0.4
108.78806	0.4
109.02936	0.5
111.00887	0.5
113.02457	1.0
117.03483	1.4
119.05041	82.9
120.05350	3.2
120.99673	0.9
123.00916	0.7
123.04526	0.5
125.02445	1.8
132.02185	1.5
133.02972	33.8
134.03610	0.8
135.04541	24.0
136.04875	0.9
137.02373	1.0
138.69792	0.4
145.02994	1.3
147.04530	0.5
148.05309	0.7
149.06102	1.7
151.00374	0.4
156.00662	0.7
159.04425	0.6
161.02460	100.0
162.02824	3.1
163.04025	43.0
164.04379	1.4
169.01442	2.1
174.01736	0.5
175.04008	1.2
177.01906	0.5
177.05595	4.0
178.02715	0.6
179.03513	17.8
203.03499	2.4
209.11871	0.8
220.03836	0.8
221.04556	6.2
236.77449	0.5
263.05664	1.1
269.01035	0.4
280.05872	0.8
301.00000	0.5
323.07736	71.4
324.08096	4.6
335.17346	0.5
443.13556	1.4
487.12436	45.0
487.18225	3.4
488.12747	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	487.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
59.01384	5.4
65.81222	1.0
67.01903	3.0
69.03444	2.6
70.59295	1.2
70.59610	2.1
71.01390	9.5
73.02955	5.4
79.01900	2.6
81.03465	2.4
83.01399	6.2
83.05038	6.0
85.02967	4.0
89.02455	2.4
93.03474	19.3
95.01386	4.3
95.05044	1.7
97.02921	1.6
98.20574	1.3
99.00890	2.5
99.04506	1.9
101.02445	4.4
107.01415	11.9
107.05035	2.1
109.02966	5.7
111.00887	7.3
111.04537	34.1
113.02454	2.9
119.03527	1.3
123.00902	27.3
123.04476	2.3
125.02469	50.3
125.06057	1.5
126.02913	1.6
135.04558	3.0
137.02483	6.0
139.00394	8.5
139.04088	2.3
140.01141	3.6
141.01959	4.4
151.00365	17.2
151.04008	1.5
153.01965	3.2
153.05586	3.8
155.03517	16.9
167.03508	1.1
168.00681	5.6
169.01453	100.0
170.01747	2.7
173.04543	10.1
179.03558	2.7
183.02974	2.0
193.01448	1.8
197.04570	4.8
211.02513	18.0
223.02490	1.0
253.03511	2.2
271.04581	4.9
313.05728	9.0
331.02783	2.8
331.06726	55.0
332.06940	1.9
365.89740	1.2
409.07846	2.0
451.08908	8.6
469.09909	47.6
470.10251	4.1
487.10959	56.6
488.11316	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	487.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42333	2.4
53.43843	2.7
57.67112	2.2
59.01373	10.7
62.09378	2.2
71.01366	5.3
72.19345	2.2
80.77238	2.2
85.02937	3.6
87.60034	2.2
89.02450	3.3
119.05042	66.1
123.00961	3.4
125.02451	4.8
132.02135	2.9
133.02963	32.4
134.03674	2.6
135.04532	66.1
145.02980	4.9
151.00345	4.1
161.02464	100.0
162.02806	4.5
163.04027	17.6
169.01372	5.0
179.03513	56.2
199.09091	2.5
212.20808	2.7
221.04620	4.3
231.95126	2.4
287.14032	5.8
307.08301	4.0
323.07718	38.7
335.16794	3.2
443.13699	3.8
449.10562	3.0
487.12387	55.7
487.18542	8.6
488.12827	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	486.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47747	0.2
52.98996	0.2
59.01384	0.8
61.98814	0.4
65.18319	0.2
68.99795	0.2
69.39007	1.6
69.62120	0.2
71.01384	0.7
78.14913	0.2
78.95914	0.3
85.02992	0.2
93.03490	1.4
96.96020	2.3
96.96963	0.6
101.02440	0.6
103.07858	0.2
105.79575	0.2
109.02972	0.2
113.02477	0.3
116.05080	3.8
117.05369	0.2
123.00910	0.2
125.02430	0.9
132.04556	0.4
137.02461	2.7
159.03226	0.9
160.04057	100.0
161.04428	4.0
169.01422	1.4
170.01825	0.2
182.27795	0.2
194.96022	0.2
204.03026	3.6
280.06021	0.2
281.06683	3.6
300.99893	0.3
356.55042	0.2
366.08337	7.6
367.08514	0.4
486.10492	12.5
486.16910	0.8
487.10803	1.4
487.17746	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2198
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.3
61.98837	100.0
71.01389	1.0
85.02956	0.4
85.49167	0.3
89.02468	0.5
101.02464	0.8
117.03487	0.5
119.05096	0.5
121.03002	0.5
123.00920	0.8
125.02468	2.2
126.02813	0.8
139.00485	0.4
145.02975	3.4
151.00401	0.4
168.00694	0.7
169.01466	3.4
170.01839	1.4
179.03476	0.8
209.39986	0.4
211.02498	2.5
212.02730	2.3
235.61172	0.4
269.58908	0.4
271.04626	3.1
272.04907	2.7
307.08450	1.1
318.53928	0.4
404.46115	0.4
451.19910	1.2
486.20688	7.3
487.21530	1.0
487.34766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3638
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
58.44598	0.7
63.72591	0.7
67.79376	0.7
71.05010	1.2
71.19578	1.2
77.02821	0.6
77.80428	0.8
80.38171	0.7
97.06599	4.5
103.58833	0.7
104.30283	0.6
106.50262	0.7
122.28958	0.7
128.88460	0.6
276.83273	0.8
298.45139	0.6
310.97281	0.8
351.38412	0.8
375.26706	0.8
389.28400	2.4
391.29993	3.6
405.31610	8.2
407.33234	9.6
408.33481	1.4
439.32007	1.0
441.33731	9.1
442.34045	1.0
451.32190	36.0
452.32578	4.2
453.33771	100.0
454.34067	11.5
471.34766	5.8
485.36560	13.4
486.36945	1.3
497.32745	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	485.3639
Annotation	Methyl 2alpha-hydroxyoleanolate
Peak:m/z	Relative Intensity
60.99306	1.0
66.85726	0.6
70.70374	1.1
70.70708	1.1
71.05018	1.0
97.06594	7.3
170.15160	0.5
197.33217	0.6
255.23297	1.4
256.23605	1.4
257.23865	1.7
263.50601	0.6
283.60538	0.7
300.99869	0.6
331.69543	0.7
374.25964	0.6
375.27039	0.6
389.28488	2.4
391.30164	3.5
392.30875	0.7
405.26749	0.6
405.31656	8.1
407.33224	14.4
408.33542	0.9
409.34283	0.7
423.28262	0.7
423.33093	1.2
437.30463	0.9
439.31836	1.5
441.33701	7.7
451.32169	40.2
452.32645	5.2
453.33765	100.0
454.34076	11.1
471.34924	4.0
476.71158	0.6
485.36945	38.1
486.37109	5.9
497.32785	7.7
498.32825	0.9
502.05188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3277
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
52.49608	0.1
57.03449	0.2
57.57026	0.2
69.33212	1.3
73.02939	0.7
76.62829	0.1
84.01653	0.2
91.18707	0.1
98.20598	0.3
100.49946	0.2
151.07602	0.2
174.38115	0.2
178.32230	0.2
223.52361	0.2
224.27184	0.2
241.19472	0.2
258.15451	0.2
269.26624	0.2
321.22491	0.2
367.37445	0.2
407.29749	0.7
409.31302	0.3
473.32712	0.3
485.32758	100.0
486.33105	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	485.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.1
68.49158	0.2
71.01412	0.2
71.05042	0.6
72.44788	0.2
73.02959	2.9
83.05045	0.2
98.20690	0.4
106.48234	0.2
125.95911	0.2
301.00116	0.2
357.25778	0.5
373.28864	0.9
374.29349	0.2
391.30045	1.0
421.31064	1.3
423.33084	0.4
439.32236	7.7
440.32568	0.9
441.33719	2.9
455.32388	0.3
467.31671	0.4
485.32779	100.0
486.33145	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	485.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.9
57.77517	0.8
59.01386	37.5
63.57383	0.7
71.01381	4.6
75.40593	0.7
78.95911	1.6
85.02953	2.9
87.00867	1.0
87.32883	0.8
89.02448	3.1
96.96057	1.1
96.96960	3.6
97.02950	1.2
101.02464	3.0
107.01391	1.3
107.05042	1.5
109.02975	0.8
109.06641	0.8
111.00842	0.8
113.02468	4.0
117.03467	2.3
119.03536	1.7
119.05023	1.2
123.00898	2.6
123.04528	1.4
125.02467	9.3
125.06086	3.0
133.03035	1.9
135.04504	1.6
135.08186	1.1
136.05302	1.9
139.00401	1.1
139.07651	0.9
151.00339	1.8
151.07629	2.4
152.08437	2.4
153.67110	0.8
156.00677	1.3
161.02438	5.8
161.04572	1.8
168.00746	1.1
169.01421	7.4
181.01532	1.1
185.09691	1.2
187.38914	0.8
189.05556	1.2
201.12869	9.3
203.10794	4.3
204.11543	19.7
205.11858	1.2
219.13901	19.1
220.14307	1.1
229.53146	0.9
243.13815	1.7
245.11844	2.3
263.12894	100.0
264.13202	6.4
269.04712	1.2
271.04739	0.9
284.03207	2.0
285.04034	3.3
287.12955	3.9
300.99945	2.1
305.13907	4.2
309.11945	1.6
313.31027	0.8
348.37125	1.0
413.01328	1.2
420.41315	0.9
447.09436	3.8
449.10538	1.6
470.06799	0.9
485.15680	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	485.2035
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
59.01381	5.9
61.98832	1.6
62.77305	0.5
67.01907	0.6
69.03469	0.7
69.24116	4.5
71.01393	4.6
72.99318	1.3
73.02967	1.4
79.01891	0.9
83.01424	1.3
85.02968	2.3
88.63574	0.4
88.98788	2.6
89.02470	1.9
93.03452	0.5
95.01413	2.3
96.95992	0.4
96.99324	0.5
97.02966	1.0
97.06582	0.4
98.19909	0.8
99.00905	0.8
101.02450	2.5
106.05376	0.6
107.01389	3.8
111.00907	1.9
113.02479	1.6
123.00903	14.5
124.01728	1.6
125.02463	16.3
126.02844	0.6
127.00376	0.6
136.98869	1.6
138.43719	0.5
139.00418	5.0
139.03986	0.7
140.01189	3.7
141.01949	1.8
151.00375	10.3
152.00743	0.7
153.01993	0.9
166.25859	0.5
168.00648	5.4
169.01440	21.5
170.01778	1.1
171.01923	0.7
181.05234	0.5
191.03616	0.6
211.02498	5.6
219.13994	0.5
261.00598	0.5
262.02567	0.5
271.04651	3.7
280.93341	0.4
300.99911	1.0
313.05582	0.8
333.15729	1.4
392.19061	0.5
447.09552	0.8
485.20425	100.0
486.20859	9.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
57.03442	0.3
59.01388	2.5
61.98830	0.3
67.01896	0.9
68.99825	0.4
71.01392	3.4
71.33770	0.5
72.99304	0.6
73.02944	1.2
77.96600	0.2
79.01887	1.5
80.46507	0.3
81.03446	0.3
82.00615	0.3
83.01405	1.3
84.72116	0.2
85.02960	2.0
87.00888	0.4
89.02456	0.3
95.01406	2.5
97.02979	0.7
99.00894	0.5
101.02477	2.2
107.01399	3.7
111.00880	2.7
112.49575	0.2
113.02448	0.9
123.00903	15.0
124.01746	1.6
125.02462	15.4
126.02817	0.4
127.00375	1.1
136.98816	1.4
137.02451	0.4
139.00389	5.6
140.01198	3.5
141.01968	2.0
151.00386	11.1
151.03917	0.3
151.62852	0.3
153.01965	1.0
154.99937	0.3
161.04637	0.4
163.04033	0.6
168.00659	4.2
169.01445	18.4
170.01758	0.5
181.04959	0.3
193.05135	0.3
205.37813	0.2
211.02556	0.7
216.42821	0.3
254.01524	0.3
271.04608	0.6
313.05722	0.9
485.20337	100.0
486.20651	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	485.2034
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
55.01876	0.3
56.55101	0.4
57.03431	0.3
57.67779	0.3
58.00601	0.3
59.01385	9.6
61.98818	0.3
65.00326	0.6
67.01887	1.2
68.99826	0.3
69.03455	0.5
69.35040	2.7
71.01392	5.8
72.99310	0.9
73.02947	0.5
79.01900	1.4
81.03452	0.5
82.00623	0.5
83.01388	0.9
85.02975	1.9
89.02452	2.4
95.01382	2.4
95.36488	0.3
97.02938	0.5
101.02439	2.0
105.71690	0.3
107.01405	7.3
110.00099	0.3
111.00893	3.6
113.02448	1.4
123.00899	16.9
124.01709	3.4
125.02460	30.7
126.02770	0.8
127.00383	1.2
136.98807	2.5
137.02449	0.7
139.00381	7.5
139.04034	0.4
140.01187	5.3
141.01964	2.2
151.00386	9.0
153.01930	0.6
163.04121	0.4
165.01987	0.6
167.03503	1.0
168.00670	9.9
169.01439	43.5
170.01759	1.5
211.02493	41.3
212.02818	1.8
241.03578	1.6
271.04608	71.1
272.04941	2.6
300.98495	0.3
313.05655	1.1
315.72247	0.3
323.05676	0.6
331.06732	7.7
332.07071	0.4
341.35217	0.3
387.67822	0.3
485.20328	100.0
486.20703	9.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	4.8
57.03458	9.1
58.00606	1.7
58.61617	1.4
59.01105	2.8
59.01389	36.0
68.99828	2.3
69.03463	6.9
70.99910	2.8
71.01389	29.8
71.50611	1.7
72.99307	5.3
73.02956	16.1
78.95915	3.3
81.03455	10.4
83.01395	7.0
83.05049	10.3
85.02965	100.0
87.00889	93.3
87.83305	1.7
88.01207	1.7
89.02475	3.7
95.01398	10.6
96.96948	2.5
97.02963	29.3
98.20572	2.0
99.00927	6.4
99.04525	8.1
101.02470	12.4
103.04031	12.7
105.14159	1.7
108.02168	2.6
108.09740	1.5
109.02975	12.6
111.00891	4.0
113.02467	72.7
115.00351	11.3
115.04040	2.3
119.03519	1.9
119.55221	1.8
125.02505	3.6
126.01934	1.8
127.04034	32.1
129.01964	3.7
131.03569	2.7
139.00429	5.1
144.03017	2.7
145.04041	3.1
145.05095	35.9
147.39940	1.5
157.01424	12.2
169.01422	1.9
171.02002	1.7
175.02493	70.6
176.02844	2.7
186.75058	1.7
191.05609	5.6
217.01567	1.5
217.03543	40.6
235.04593	4.2
255.56313	2.0
261.00385	2.2
303.07278	25.9
321.08298	16.3
337.02075	1.9
339.09338	7.5
381.10419	59.1
382.10583	2.4
404.48672	1.8
467.14151	18.0
468.14648	2.3
485.08606	3.2
485.15015	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	485.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15582	1.7
54.20081	1.6
55.01877	4.4
57.03452	9.7
57.55748	1.6
59.01388	38.7
61.69469	1.6
67.01900	2.4
69.03453	7.5
69.70950	6.5
69.71352	2.8
70.51493	1.6
71.01391	30.2
72.87213	1.9
72.99306	5.3
73.02960	22.3
75.00886	2.5
81.03474	7.2
82.20248	1.6
83.01407	4.7
83.05044	8.3
83.75556	1.7
85.02960	90.9
87.00886	100.0
89.02469	4.6
95.01421	12.1
96.96994	2.3
97.02966	38.3
98.19978	2.7
99.00904	8.1
99.04546	5.9
101.02450	8.0
103.04020	15.2
107.01377	3.2
108.02200	3.0
109.02949	10.3
111.00903	7.1
113.02464	78.1
115.00388	14.9
115.04032	4.5
123.00908	2.1
125.02441	15.3
127.04026	33.8
129.02003	4.0
131.03510	6.2
139.00381	4.4
145.05087	39.4
150.64021	1.8
157.01479	9.8
169.01457	9.8
170.01830	3.2
171.01762	1.9
173.04515	3.0
175.02504	79.6
175.03935	2.9
176.02893	2.2
191.05667	4.8
217.01530	3.9
217.03551	46.2
235.04611	7.2
275.01910	2.5
300.99884	5.7
303.07269	31.5
308.33258	1.9
321.08292	18.9
339.09338	6.5
361.57346	2.3
381.10406	65.6
382.10672	3.3
384.68842	2.3
387.09393	4.6
467.14133	16.0
485.08298	5.2
485.15088	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	485.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06816	1.2
59.01383	14.7
59.86567	1.2
63.48721	1.4
70.75179	1.4
71.01385	8.2
71.56548	1.9
77.67171	1.6
78.95892	1.4
79.53834	1.3
83.01404	3.0
84.99031	1.3
85.02955	3.8
87.00857	1.8
89.02451	4.7
95.01405	2.3
96.96006	3.4
96.96969	4.2
101.02441	4.2
107.01400	6.1
111.00848	2.1
113.02432	3.5
119.03489	1.4
119.05073	2.2
119.56541	1.4
123.00904	15.2
124.01672	1.3
125.02464	23.3
133.02939	3.8
135.04518	8.5
137.02464	1.4
137.42996	1.2
139.00360	5.5
140.01123	2.9
141.01941	2.3
145.02989	2.2
151.00386	25.8
153.09232	2.0
161.02460	16.3
161.04439	1.5
163.03966	3.8
168.00531	2.7
169.01443	27.3
170.01794	1.5
177.05540	1.7
179.03491	6.8
211.02322	1.9
217.27010	1.3
221.04602	2.5
256.03915	1.5
263.12970	1.3
269.78299	1.4
281.06519	1.5
284.03278	32.2
285.04059	63.2
285.47049	1.4
286.04315	7.7
287.05609	12.6
288.05884	2.0
290.02823	1.4
313.05682	1.5
323.13464	6.4
333.15445	2.2
447.03253	2.8
447.09354	56.2
448.09561	5.2
449.10153	8.7
485.16577	100.0
486.17053	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	484.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99907	0.5
59.01386	6.7
59.02389	0.4
61.98837	100.0
69.37821	1.8
69.38247	2.0
71.01395	3.5
73.02959	1.2
75.00881	0.6
81.71766	0.5
82.10946	0.5
82.95472	0.6
83.01378	1.1
85.02982	1.5
89.02454	0.6
93.03463	0.5
95.01456	0.6
96.96011	0.6
97.20854	0.5
98.20598	0.9
101.02465	3.0
102.30772	0.4
107.01406	0.9
111.00881	0.7
113.02489	1.3
117.03458	2.4
118.03835	0.5
119.05051	1.1
121.03003	0.5
123.00897	3.1
124.01729	0.5
125.02448	5.5
125.03227	0.6
133.02969	0.7
135.04573	0.7
139.00447	0.7
139.04027	0.8
140.01108	0.5
145.02968	9.6
146.03328	3.1
149.02286	0.4
151.00421	1.9
157.68489	0.5
160.04054	17.8
161.02487	1.3
161.04433	0.9
163.04044	1.1
168.00653	0.6
169.01425	6.8
170.01758	1.0
175.04073	0.6
177.01938	1.1
193.01466	0.5
204.03059	0.8
211.02518	1.3
224.21684	0.4
228.06677	0.8
271.04675	1.8
277.16653	1.9
278.16913	2.3
285.04135	1.0
300.99963	1.1
404.24063	0.5
423.22452	1.1
424.22742	4.8
426.28922	0.5
447.16666	2.6
448.16879	5.0
449.17529	0.6
484.12402	1.8
484.18933	7.0
485.09491	1.0
485.20578	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	484.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63747	0.7
59.01386	2.8
61.98841	9.1
69.40118	3.7
69.40527	1.8
71.01398	4.5
73.02967	1.4
74.81229	0.8
76.55023	0.6
83.01433	1.2
85.02968	2.0
85.65102	0.8
95.01406	1.9
96.96978	1.4
98.20658	1.3
101.02453	3.1
101.97057	0.8
107.01386	3.2
111.00908	1.3
111.85485	0.7
113.02457	2.0
114.82497	0.8
119.04982	0.8
120.99638	0.8
123.00903	12.3
124.01681	1.0
125.02454	15.7
139.00391	5.1
140.01167	3.1
141.01964	1.3
151.00380	11.2
160.10571	0.7
168.00635	3.3
169.01448	21.4
170.01744	1.4
271.04443	1.0
274.07635	0.7
285.92416	0.8
300.99829	1.6
313.05865	1.4
341.02460	0.7
389.39261	0.8
421.11417	100.0
422.11795	10.0
432.92377	0.8
484.30423	1.0
485.15939	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	484.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83048	0.3
59.01389	3.0
61.98838	49.2
66.60669	0.3
67.01900	0.7
67.89344	0.2
67.89843	0.3
69.38624	2.4
71.01391	1.8
72.28003	0.3
72.99318	0.5
73.02956	0.4
73.61884	0.3
75.00883	0.7
82.95466	0.3
83.01427	0.3
83.17123	0.3
85.02952	0.7
89.02455	0.5
95.01409	0.7
96.96029	0.7
97.02932	0.3
101.02459	0.9
107.01408	0.7
111.00897	1.9
113.02470	0.9
116.05085	4.3
117.03479	0.6
119.05070	0.4
123.00901	3.1
125.02473	5.2
126.02805	0.9
131.03630	0.4
132.04604	0.4
133.02899	0.4
135.04564	0.8
138.01974	0.5
139.00388	1.1
140.01172	0.5
141.01869	0.4
145.02962	2.2
146.03319	0.7
151.00349	1.8
159.03264	0.9
160.04059	100.0
161.02477	0.8
161.04456	3.6
162.71030	0.3
163.04022	0.4
166.99791	0.3
168.00656	0.8
169.01448	6.4
170.01785	1.0
177.01988	0.6
179.03474	0.4
179.10773	0.3
204.03012	5.7
211.02510	1.0
271.04626	1.0
272.28720	0.3
278.08408	1.6
285.03897	0.3
286.04431	0.4
287.18600	0.4
300.99890	0.5
372.16895	0.3
440.13477	0.6
447.16602	0.5
448.16965	1.1
466.06436	0.4
483.18723	0.6
484.12463	13.5
484.19144	11.9
485.12872	1.1
485.20374	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	483.3123
Annotation	Sodwanone B
Peak:m/z	Relative Intensity
54.60896	0.4
57.03460	1.5
58.71597	0.4
58.81423	0.5
59.01380	1.4
64.16836	0.4
69.20961	4.8
71.05032	2.1
79.76849	0.4
83.05045	3.8
91.44172	0.4
97.06599	0.6
107.01421	0.5
109.06582	0.7
118.57114	0.4
121.06573	1.1
123.08179	1.2
125.02467	1.8
135.08177	1.0
137.09715	0.5
138.06842	0.5
169.01416	2.7
187.11314	1.4
199.13419	2.3
201.12904	1.0
203.14418	1.2
221.19049	1.3
265.18079	0.7
283.19073	1.5
301.00125	0.8
331.06473	0.5
337.25491	0.6
353.95172	0.5
356.55066	0.5
375.26904	1.0
389.28781	0.6
391.30112	13.8
392.30548	2.1
409.31329	1.0
421.31030	1.4
435.29111	6.9
436.29150	0.7
437.30566	1.3
439.32178	1.7
453.30426	2.8
465.30148	2.2
483.31177	100.0
484.31491	13.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70517	0.3
70.08694	0.3
70.78462	0.6
77.57011	0.3
78.69389	0.3
78.95911	6.2
90.78607	0.3
96.96961	0.7
97.06615	0.7
108.68096	0.3
123.14452	0.3
135.83894	0.3
143.51489	0.3
150.98013	0.3
152.99602	14.2
169.01385	0.3
171.00638	0.9
188.38127	0.3
227.03235	3.6
245.04395	1.1
255.23311	100.0
256.23639	6.6
270.13577	0.3
382.82196	0.3
389.29001	0.5
405.31757	0.6
407.33667	0.6
439.32544	0.3
451.32220	8.1
452.32425	0.7
483.27292	28.0
484.27502	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	483.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27691	0.5
55.01851	0.4
57.03443	1.2
71.05031	2.7
84.69200	0.4
85.93248	0.4
98.34085	0.4
99.04542	1.2
116.85361	0.3
121.06586	1.0
125.02409	0.6
128.85811	0.3
146.03716	0.4
149.23080	0.4
149.49217	0.4
161.02403	0.4
169.01411	1.2
217.41859	0.4
223.14987	0.7
237.28453	0.4
239.14430	0.5
247.22118	0.4
293.19086	0.7
295.20782	0.7
301.00113	0.5
301.21643	0.5
329.63571	0.4
333.22327	0.4
335.23871	0.7
349.25461	1.1
371.27414	2.4
373.25461	1.5
374.25873	0.5
389.28497	6.7
391.30222	1.5
403.46960	0.4
407.29605	1.8
435.29059	5.3
436.29596	0.8
437.30862	1.2
439.32275	0.8
453.30350	1.8
483.31235	100.0
484.31528	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	483.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71854	0.5
57.03444	0.7
59.01374	0.6
71.05034	6.0
71.14032	1.1
76.07778	0.5
81.05401	0.5
82.79144	0.4
123.00901	0.7
125.02460	1.9
156.33015	0.4
156.48924	0.5
169.01436	3.5
247.02672	0.6
285.04013	0.7
300.99902	1.1
303.19836	0.8
309.22189	0.6
311.36392	0.5
323.23828	13.9
323.27588	1.0
324.24249	1.0
345.01306	0.5
365.24719	0.5
377.86072	0.6
379.25769	0.6
389.25101	0.8
395.29611	1.6
401.28494	0.9
404.66220	0.5
409.31076	1.1
419.29584	11.8
420.29987	1.0
421.31091	2.2
437.30640	56.8
438.30988	7.0
439.32562	3.1
447.30954	0.5
483.31247	100.0
484.31570	14.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
57.03439	1.8
59.01390	11.4
61.98835	3.8
65.99857	1.7
68.28568	0.6
69.21539	6.5
71.01386	14.8
72.99319	0.8
73.02957	6.2
82.02986	4.2
83.01391	3.3
85.02963	7.0
87.00870	0.9
89.02459	4.6
95.01377	1.1
95.05001	0.7
97.02981	1.0
98.20692	1.0
99.00896	3.7
101.02458	11.3
102.87511	0.6
111.00896	1.0
113.02465	6.8
115.04016	0.8
121.02991	0.6
122.06122	1.1
125.02462	3.9
132.02187	17.7
133.02991	5.2
134.03763	14.8
135.04485	1.8
135.08182	2.6
137.02487	2.3
137.06180	0.6
139.04019	0.8
149.06090	2.0
152.27902	0.6
153.01953	0.9
159.02994	1.5
160.01674	85.2
161.02013	3.4
161.04594	6.0
169.01442	4.0
175.04016	93.4
176.04335	3.3
177.01938	1.0
178.02669	1.3
179.03580	1.5
179.10789	0.9
193.05072	14.3
222.95778	0.6
241.09541	0.7
255.11272	0.6
268.02545	0.6
268.79095	0.7
269.08826	1.4
283.10873	2.3
283.99829	0.7
284.11371	3.9
285.04080	1.5
285.11978	2.8
300.99762	1.3
316.13867	2.1
324.99554	1.1
328.10510	2.8
328.44128	0.6
329.11099	4.1
351.18130	10.9
360.12885	2.2
423.09119	1.8
447.22055	0.9
451.17038	10.7
468.20053	1.4
483.11270	7.4
483.22433	100.0
483.32330	5.0
484.22708	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	483.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93208	0.8
51.22197	0.6
55.01867	1.0
59.01387	77.1
61.98835	5.9
68.02559	0.7
68.99570	2.8
69.33376	5.1
69.33786	1.4
71.01393	18.1
72.99306	1.2
73.02936	1.5
75.00877	0.8
78.95901	1.0
83.01406	0.9
85.02967	4.5
87.00883	1.7
89.02464	12.9
93.07121	1.2
95.01376	1.3
95.05026	3.5
96.96000	1.0
98.20612	1.7
99.08149	1.0
101.02456	10.0
109.02982	1.6
109.06602	1.4
112.75077	0.7
112.98557	2.2
113.02481	4.9
113.06104	14.7
119.03535	4.2
123.00919	1.2
123.04531	1.1
123.08173	1.0
125.02474	4.8
127.07687	7.1
132.02190	2.2
134.03741	2.2
136.05284	1.7
137.02376	0.8
137.06093	5.8
151.07625	4.3
155.07173	3.6
158.78273	0.8
160.01677	9.3
161.04514	1.0
163.11301	7.3
169.01469	7.4
175.03996	8.3
193.05035	1.4
207.10283	16.6
209.07526	0.8
211.02383	0.9
215.01300	0.8
254.51093	0.7
271.04517	1.1
285.00055	2.4
285.04025	1.9
297.00485	1.5
298.00906	3.1
299.01462	1.7
300.99957	1.4
310.00595	1.2
311.00565	1.1
312.99936	2.0
314.00381	2.8
321.24194	1.2
323.99048	1.5
324.99466	1.1
336.02206	1.1
351.17966	1.5
354.03455	0.9
364.04404	1.2
369.15671	2.1
381.04596	0.9
387.16635	100.0
388.16846	8.3
423.09384	6.1
447.09390	1.3
483.11765	24.2
483.22406	58.6
483.32870	7.4
484.11386	2.1
484.22714	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	483.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.1
59.01387	66.0
61.98838	53.0
69.53381	27.9
71.01392	63.5
72.99304	6.0
73.02952	23.0
83.01365	5.0
85.02966	18.9
87.00881	7.9
89.02452	64.0
93.03483	4.4
95.01392	5.8
95.84881	3.8
96.96020	4.0
97.02975	7.4
99.00877	20.5
101.02456	44.8
107.05053	4.7
113.02446	21.6
115.04023	16.2
115.07677	6.0
120.05834	5.7
123.00912	7.8
123.04520	5.6
125.02444	35.0
131.03477	10.7
132.02205	6.1
133.10173	4.7
134.42995	4.3
135.04488	5.5
135.08211	30.3
136.05316	8.5
138.01979	21.9
140.01170	4.8
143.03523	4.3
145.02963	5.1
149.04567	45.7
151.07672	14.4
153.01990	5.1
159.03036	5.6
160.01671	5.9
161.04553	15.5
161.09793	9.7
169.01439	39.2
169.06540	5.8
175.04037	13.4
177.01981	6.2
179.10757	25.8
191.05652	5.2
203.10837	5.3
206.99858	4.1
211.02451	4.8
233.10274	6.3
259.44858	4.2
261.45108	4.4
271.04697	7.2
277.09549	4.6
283.99667	8.1
285.00064	10.9
285.04013	15.3
291.18274	5.7
300.99817	12.5
323.99149	7.6
324.99594	10.0
329.23294	5.0
338.00342	10.0
414.69147	5.1
423.09412	25.6
447.22287	31.5
465.32156	9.3
483.11169	50.8
483.19547	24.5
483.21786	25.6
483.33359	100.0
484.33676	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	483.1874
Annotation	Globulusin A
Peak:m/z	Relative Intensity
52.87788	0.3
55.01859	0.6
58.63087	0.4
59.01381	2.9
61.19988	0.4
61.98825	0.8
67.01883	0.7
69.32932	1.8
69.33358	1.5
71.01389	3.8
72.99323	0.5
73.02948	0.7
75.84236	0.3
79.01878	0.9
83.01389	1.0
85.02939	1.8
87.00880	0.4
89.02474	0.6
93.03436	0.4
95.01395	1.8
97.02953	0.7
99.00904	0.7
101.02434	1.2
107.01377	3.1
111.00911	2.3
113.02435	1.1
115.96649	0.4
123.00888	13.3
124.01698	0.7
125.02458	14.9
127.00365	0.8
136.98814	1.4
137.02466	1.3
139.00398	5.2
140.01160	3.8
141.01968	1.2
145.02942	0.5
150.99185	0.7
151.00377	9.7
153.01927	0.7
154.99855	0.6
161.04602	0.4
162.76086	0.3
168.00656	3.9
169.01436	18.7
175.03979	0.4
179.03505	0.5
181.05074	0.5
211.02480	3.0
253.03447	0.4
254.83258	0.4
271.04688	2.1
285.03900	0.6
286.04108	0.5
313.05774	1.0
447.09534	0.5
447.68350	0.4
483.18716	100.0
484.19083	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	483.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73679	0.3
55.01881	0.4
55.10872	0.3
59.01384	5.1
61.98843	0.4
62.80961	0.3
65.00347	0.3
67.01909	1.2
69.03455	0.8
69.20994	3.6
71.01392	3.1
72.99326	0.9
73.02968	0.7
75.00903	0.5
75.34317	0.4
79.01899	0.8
82.00607	0.3
83.01396	1.1
85.02966	1.8
87.00890	0.6
88.85464	0.3
89.02455	1.2
89.12122	0.3
95.01392	2.9
96.96015	1.3
96.96970	0.7
97.02947	0.6
101.02464	2.3
107.01398	4.4
109.02946	0.5
110.00063	0.5
111.00913	2.7
113.02453	1.1
119.05077	0.5
123.00897	15.4
124.01673	1.2
125.02460	18.5
126.02689	0.4
127.00374	1.3
133.02985	0.6
136.98831	2.4
137.02411	0.4
139.00407	4.8
140.01186	4.5
141.01915	1.5
145.02998	0.5
151.00391	10.0
153.01952	0.8
161.02463	1.2
163.04022	0.6
166.99800	0.4
168.00676	4.7
169.01442	23.9
170.01762	1.1
177.04042	2.1
181.05145	0.4
211.02527	2.7
217.01515	0.4
271.04654	1.9
300.02646	0.6
300.99911	1.2
313.05695	1.4
329.05185	0.8
413.14471	1.0
447.09314	0.7
454.23148	0.5
468.54480	0.6
469.04739	0.7
483.18768	100.0
484.19162	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	483.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.8
59.33617	0.8
64.59928	0.7
69.03474	1.2
69.77240	4.5
71.01389	3.0
73.02977	1.0
75.31775	0.7
79.01904	1.0
83.01402	1.3
95.01436	1.4
97.02968	1.2
98.20663	0.8
101.02452	2.4
107.01414	6.9
111.00893	2.8
113.02449	1.9
123.00890	8.6
124.01700	2.8
125.02464	76.2
126.02836	1.8
127.00371	1.1
136.51106	0.8
136.98772	0.9
137.02461	1.1
139.00412	3.2
140.01155	4.7
141.01917	1.0
142.87132	0.7
149.02495	0.9
151.00368	4.6
155.00002	0.8
155.03522	1.1
157.06282	0.8
165.01978	1.7
166.99942	2.0
167.03467	1.7
168.00656	12.5
169.01445	100.0
170.01796	2.6
175.03815	0.7
179.03426	1.1
181.01463	3.5
183.02988	1.4
191.03598	1.4
193.01447	8.9
207.03043	1.5
211.02499	37.2
212.02762	1.7
235.02579	2.1
241.03563	3.2
253.03535	2.9
271.04611	23.4
272.04739	1.2
297.68033	0.7
300.99844	2.3
313.05707	7.3
331.06525	6.2
405.04321	0.9
423.05737	34.3
423.11481	1.7
424.06149	1.4
476.00040	0.8
483.07834	93.9
484.08118	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	483.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64058	0.4
65.91235	0.4
66.57822	0.4
69.29546	4.1
72.50151	0.4
78.95912	23.4
79.95721	2.2
85.76906	0.4
95.01367	0.4
96.96017	100.0
96.96969	47.0
98.20595	1.0
99.03248	0.4
105.77300	0.4
107.01387	1.1
123.00895	1.7
125.02448	6.6
139.00372	0.6
151.00371	0.6
161.02354	0.5
163.04227	0.5
169.01453	10.5
170.01794	0.7
173.02472	0.7
175.04037	1.1
177.05542	1.1
189.01901	0.7
191.03418	0.6
194.19766	0.4
203.03545	0.9
211.02466	0.8
217.01411	0.6
219.02957	0.8
229.01476	0.8
247.02446	1.3
248.03188	0.5
249.04039	0.7
257.00903	0.6
265.03546	1.2
273.00372	1.0
275.01904	1.5
300.99951	4.0
302.00369	0.7
371.57156	0.6
438.03339	0.7
440.04846	0.7
483.07837	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0783
Annotation	1-O,6-O-Digalloyl-beta-D-glucose
Peak:m/z	Relative Intensity
53.52932	0.8
55.57140	0.8
59.01389	1.5
67.01884	0.9
70.99271	1.2
71.01389	3.5
84.24471	0.7
95.01412	1.4
97.02975	1.5
107.01404	6.0
111.00922	1.5
119.32613	0.8
123.00894	6.8
124.01667	2.5
125.02461	79.9
126.02797	1.5
127.00370	1.1
139.00369	3.0
140.01103	2.5
151.00385	5.2
165.51712	0.8
167.03525	1.9
168.00645	12.2
169.01439	99.8
170.01749	3.1
191.03641	1.1
193.01408	5.7
211.02499	37.2
212.02704	1.7
218.49333	0.8
218.55717	0.8
241.03535	4.7
271.04605	48.2
272.05005	2.0
287.07834	4.7
300.99988	2.3
312.65790	1.0
313.05688	17.2
331.06729	19.2
439.08807	13.5
465.06671	1.4
483.07816	100.0
484.08145	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	483.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	15.4
59.12132	2.4
61.98807	2.5
68.43507	2.5
71.01390	13.6
71.57154	3.4
72.99284	2.6
73.02940	3.0
76.76044	2.7
79.78819	2.5
80.83459	2.5
83.01382	4.2
85.02918	5.2
85.24363	2.8
89.02463	54.7
89.03007	4.3
95.01326	2.6
97.02943	2.5
99.00897	2.5
101.02441	9.0
107.01372	3.2
113.02448	4.5
121.54353	2.4
121.81098	2.9
123.00870	11.3
125.02472	17.7
128.03554	3.5
128.23044	2.6
130.08723	3.5
133.02945	9.5
133.05043	4.7
139.00362	5.6
140.01064	3.9
151.00394	13.3
161.02451	6.4
161.04529	2.9
168.00574	3.7
169.01447	21.2
175.04074	4.1
185.65721	2.8
199.03944	2.9
225.02814	2.7
285.04071	97.7
286.04355	5.4
307.17654	31.5
447.09186	7.0
483.11411	6.7
483.18652	100.0
484.18918	6.5
496.69925	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	482.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54187	0.7
55.01876	0.9
59.01389	10.9
61.98835	9.2
65.99854	12.4
69.33736	4.8
69.34146	2.0
71.01392	13.4
73.02969	5.6
78.95929	1.0
82.02993	38.4
83.01395	7.1
85.02962	7.6
89.02462	5.3
95.01373	1.0
97.01727	1.8
99.00887	2.9
101.02463	9.0
106.03008	0.8
107.03803	1.2
113.02451	3.6
117.03487	0.8
119.03529	1.0
120.00923	0.9
120.08228	1.2
122.05334	0.6
122.06140	16.1
125.02451	2.8
132.02184	4.9
133.02957	2.6
134.03755	5.1
135.08157	1.2
136.04079	4.5
137.02472	1.1
143.03542	1.3
152.03560	1.3
159.02957	1.0
160.01675	25.1
161.04541	5.9
164.03542	3.8
169.01425	1.6
172.07710	2.1
174.09227	1.0
175.04010	31.2
193.05042	4.1
194.04623	14.1
196.07716	1.6
198.09387	1.0
199.08769	4.2
200.07190	1.2
209.11942	0.9
213.10342	0.8
224.07184	1.2
226.07243	1.8
227.08228	1.9
238.08636	2.2
239.08020	1.3
240.08870	4.9
241.06169	0.8
241.09822	6.8
253.06673	1.2
253.09773	1.1
254.10643	2.1
255.07697	1.2
255.11502	4.3
256.12296	1.1
267.08023	1.4
268.08530	11.6
269.09375	3.2
270.10065	0.9
270.55862	1.0
282.10052	6.1
283.10907	34.7
283.99634	17.3
284.11685	34.6
285.00284	3.9
285.08813	2.2
285.11890	1.9
297.00363	8.7
298.01212	9.6
300.99875	0.9
302.00378	1.2
309.00439	7.7
309.08905	1.4
309.99960	4.4
310.09637	5.2
311.01764	1.7
312.99936	15.4
315.13547	20.1
323.02048	1.0
323.99133	14.0
324.02631	1.6
324.99933	1.3
325.03482	1.3
327.09866	15.2
328.10645	49.8
329.11035	2.7
335.02017	4.1
336.01666	1.8
336.99948	5.6
338.03357	2.4
351.18146	10.5
352.02145	1.1
353.03088	3.4
359.12503	22.9
360.12698	1.2
362.03119	2.0
363.04013	1.3
380.04190	3.3
389.15073	2.9
394.09726	1.2
404.07788	6.3
406.17633	7.2
422.03159	1.8
422.08847	33.0
423.09351	3.4
423.21912	1.0
432.15488	2.0
450.16742	74.8
451.17072	8.1
452.03250	1.1
464.10303	1.9
468.20349	1.3
482.10968	100.0
482.18036	3.4
483.11688	10.5
483.22382	45.8
483.33429	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	482.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
61.98840	9.0
71.01387	1.6
71.57729	1.0
73.02950	1.3
82.02973	1.0
85.02972	1.5
101.02436	2.8
108.02171	2.7
117.03438	1.1
123.16209	0.7
125.02439	2.2
131.03496	1.0
135.08136	1.1
138.01990	31.4
145.02974	3.6
161.04578	0.8
169.01472	1.7
175.27379	0.7
179.10826	0.8
200.01218	1.2
206.99948	0.9
239.87160	0.8
283.10831	1.3
283.99628	42.9
284.11716	1.9
284.99966	2.7
291.18137	1.9
297.00443	0.9
298.01141	4.0
301.00085	0.8
309.00391	4.6
310.00900	1.3
311.01837	1.9
315.13275	0.8
323.99152	27.5
324.02579	1.6
324.99527	2.3
325.03168	0.7
328.10590	1.8
336.99945	15.9
338.00397	1.0
340.10745	1.2
359.12430	0.9
379.08249	0.9
394.09299	1.4
394.20236	0.8
416.88297	0.8
422.08850	54.3
423.09106	4.1
450.16776	4.0
464.18332	1.2
482.10977	100.0
483.11539	8.7
483.33047	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56819	0.6
59.01385	7.7
61.98835	5.5
65.99853	4.1
67.70423	0.6
71.01395	10.4
71.38259	0.7
71.58062	1.1
73.02952	4.9
73.37897	0.6
78.91833	0.7
82.02998	15.1
83.01399	4.9
85.02958	5.3
87.00871	0.9
89.02448	4.0
95.01392	1.1
99.00883	2.6
101.02457	9.7
107.03783	0.8
113.02438	4.4
120.00849	0.7
122.06124	5.4
123.04543	0.9
125.02447	2.4
125.99660	0.6
131.03493	0.8
132.02124	1.1
134.03708	0.6
135.08147	0.9
136.04062	2.6
143.76180	0.8
145.02910	0.9
160.01660	7.0
160.55882	0.7
161.04552	4.6
164.03537	0.9
169.01392	2.2
172.07707	1.2
175.03981	6.9
193.05074	1.1
194.04605	5.9
199.08716	1.4
226.07498	0.9
233.06699	1.0
240.08960	1.5
241.09802	2.8
241.18088	1.8
255.11383	2.1
268.08484	5.8
269.09250	1.8
270.10150	1.1
282.10074	2.5
283.10861	14.9
283.99625	14.3
284.11649	14.8
285.00305	3.6
285.08957	1.1
291.18167	3.0
297.00372	9.1
298.01129	9.0
300.99756	1.0
302.00479	0.9
309.00430	4.8
309.99915	3.6
310.09592	2.5
312.96469	1.1
312.99918	15.1
315.13522	10.4
323.99139	11.7
324.02643	1.4
324.99777	2.9
325.03198	1.4
327.09891	7.4
328.10648	20.1
329.10849	1.4
335.01959	3.0
336.01596	2.6
336.99976	4.5
337.03491	1.3
338.03055	1.9
351.18109	6.5
352.02127	1.3
353.02930	2.2
359.12469	10.1
362.03000	1.7
363.03793	1.1
380.03882	3.4
381.05017	1.0
389.15195	1.2
394.09314	1.5
404.07742	5.2
405.06226	0.7
406.17847	4.0
422.08850	31.5
423.09201	2.1
423.22269	9.2
450.16696	35.7
451.17239	2.3
451.40189	0.6
464.10132	1.9
481.31424	0.9
482.10944	100.0
483.11694	8.5
483.22327	18.9
483.32874	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38090	0.9
52.52021	0.9
55.01883	8.6
56.39016	1.1
57.03463	5.1
58.00596	2.5
59.01389	58.6
69.03453	1.5
70.30085	4.1
71.01391	73.8
72.99303	4.0
73.02955	27.9
75.00863	1.4
83.01400	18.2
85.02963	43.7
86.00082	1.3
87.00881	3.1
89.02454	23.0
94.28864	1.1
95.01402	6.4
97.02966	2.5
99.00883	12.4
101.02457	100.0
102.02797	2.1
113.02461	37.9
117.44036	1.0
117.65166	1.2
119.03519	10.6
125.02473	2.6
136.18021	1.0
138.41357	1.0
143.02559	1.1
143.03508	7.0
157.25676	1.0
159.03000	6.6
161.04579	22.4
164.71913	1.2
170.06313	1.1
179.05602	3.7
300.99857	4.2
319.21274	63.4
320.21710	3.0
398.97079	1.1
481.26553	57.5
482.10989	1.5
482.26944	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	482.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16736	0.4
59.01384	5.9
61.98840	5.9
63.67830	0.4
67.11639	0.4
68.99567	0.4
69.21175	0.7
69.21587	3.9
71.01384	1.0
73.02963	0.5
75.00874	0.5
78.64694	0.4
78.95883	0.7
79.50518	0.4
83.01420	0.5
85.02982	0.5
86.77346	0.4
89.02448	0.9
94.85371	0.4
96.96030	0.7
101.02473	1.2
108.02209	0.5
123.04453	0.5
125.02440	2.0
135.08176	2.1
136.05292	2.0
137.06055	0.5
138.01956	1.7
141.68195	0.4
145.02975	1.1
148.04047	1.8
150.05598	0.5
151.07628	1.7
160.01662	2.9
161.02411	0.7
161.04539	0.7
165.09300	0.7
169.01485	2.0
175.03990	3.0
188.48889	0.6
192.03087	0.8
211.13583	0.5
241.01402	0.6
256.00183	0.9
261.00543	0.4
273.00320	0.6
275.02060	0.5
283.99652	11.3
285.00345	3.6
285.03925	1.0
297.00443	10.7
298.01205	10.5
299.01596	0.7
300.99908	1.4
302.00256	0.9
309.00412	6.0
309.99982	4.1
311.01190	1.8
312.01532	0.5
312.99915	17.0
314.00223	0.6
323.01974	1.1
323.95227	0.6
323.99142	12.1
324.02689	1.4
324.99728	1.6
325.03522	1.4
327.21719	1.7
328.22284	0.5
335.01987	2.4
336.01840	1.3
336.99994	5.4
337.03580	1.1
338.03381	2.7
339.00598	0.6
352.02335	1.5
353.02914	3.3
354.03223	0.6
362.03183	2.7
363.03870	1.7
380.04065	4.1
381.04819	1.6
387.16760	2.2
394.09521	1.1
402.06049	1.6
404.07852	7.1
405.06961	0.9
422.08868	26.4
423.09378	3.3
447.09814	0.5
463.30579	0.7
464.10065	1.3
464.31085	0.5
481.30875	3.2
482.10974	100.0
482.32205	2.0
483.11536	10.7
483.22314	4.4
483.33218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	52.1
61.98828	2.5
62.55146	0.6
66.83855	0.5
67.01897	31.2
68.02224	0.7
69.32829	5.4
71.01391	7.9
72.99289	0.6
73.02943	2.1
85.02971	2.3
87.00903	2.4
89.02438	2.3
93.03480	0.9
95.01415	1.3
97.02974	2.1
98.19913	1.0
99.00898	0.9
101.02451	6.0
108.02193	0.8
109.02950	1.6
111.00892	100.0
112.01212	1.9
113.02448	3.1
117.03450	0.7
119.03507	0.7
119.05036	1.3
121.02966	0.7
123.00893	1.1
123.04672	0.6
125.02457	15.7
135.04471	1.0
137.02460	2.4
138.74283	0.6
145.02968	5.1
145.10345	0.7
151.00441	0.7
153.01974	3.9
161.04610	0.7
163.04050	1.3
163.11282	5.7
169.01445	2.8
207.10274	13.1
208.10622	0.9
225.11340	0.8
229.01486	0.9
249.97363	0.7
257.00763	0.9
274.01114	0.7
275.02042	1.1
283.99689	0.8
298.67239	0.6
300.99969	5.5
307.08411	1.6
309.00284	1.4
316.37796	0.6
323.99118	0.8
353.43558	0.7
361.27618	0.6
365.51215	0.7
369.15530	22.0
370.15857	1.4
382.22842	0.6
411.04453	0.7
443.19473	0.7
445.16544	1.1
481.17154	81.3
482.10794	4.7
482.17569	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28642	1.0
70.87487	2.7
78.95911	39.8
91.26807	1.0
96.96973	2.7
152.99596	51.7
171.00655	16.1
227.03268	3.7
245.04326	100.0
246.04718	1.5
253.21741	55.2
254.22157	1.8
475.17075	1.3
481.25754	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	481.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	10.6
57.03455	6.8
58.00596	2.5
59.01385	50.0
69.03472	0.9
71.01391	100.0
72.01716	0.8
72.99309	2.9
73.02956	33.9
73.03360	1.8
75.00862	1.4
75.58307	0.8
76.26082	0.7
83.01399	16.4
85.02960	44.1
86.00119	1.1
87.00889	4.9
89.02456	16.3
94.21226	0.8
95.01389	6.8
97.02955	3.1
99.00885	13.2
101.02455	95.2
102.02822	1.3
111.00892	2.6
113.02462	39.5
119.03508	6.4
125.02502	4.2
129.01929	1.0
131.03474	1.6
132.57188	0.8
143.03502	5.6
153.82613	0.8
159.03000	8.5
161.04573	39.2
164.13272	0.8
179.05614	2.6
205.03551	1.0
245.06662	1.1
263.07623	1.5
290.66156	0.7
298.53986	0.8
319.21280	54.1
320.21646	2.6
354.52832	0.9
481.26572	44.2
482.26797	6.2
486.42966	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81599	0.9
59.01384	8.3
61.44497	1.1
61.98834	6.1
69.03467	1.5
71.01385	6.0
71.56572	1.0
73.02940	1.9
79.01887	1.1
85.02950	2.4
89.02440	1.7
95.01375	1.2
95.68814	1.1
97.02940	2.5
101.02432	3.8
107.01396	1.8
109.02981	1.1
111.00893	1.7
113.02435	2.5
117.03441	1.6
123.00907	8.8
124.01637	4.6
125.02465	81.2
126.02778	1.9
137.02429	1.6
139.00346	3.6
140.01205	1.1
145.02934	1.4
151.00368	2.0
151.07628	2.4
152.01164	2.5
161.04533	1.5
166.99768	1.7
167.03426	1.3
167.10812	1.8
168.00667	8.3
169.01442	100.0
170.01727	3.2
178.21214	1.0
181.12314	1.3
211.02448	3.2
257.00952	1.3
265.11127	1.0
275.01920	2.5
283.99615	1.3
300.99887	14.1
306.07480	1.8
313.00046	1.2
313.05710	8.6
319.22641	2.1
331.06790	8.6
421.28271	2.0
452.02905	1.1
481.06116	3.3
481.17078	63.2
481.31644	3.9
482.10809	3.8
482.17380	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	481.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
62.96201	1.2
69.90498	7.1
71.05055	7.0
76.64551	1.3
95.05031	7.1
97.02954	14.5
109.02980	11.5
137.02454	4.7
139.04024	100.0
140.04333	2.5
153.01927	13.4
155.87112	1.2
163.04056	1.8
165.01941	31.7
183.02998	18.5
195.03023	2.2
209.67979	1.4
213.15663	1.2
255.05188	1.6
297.06143	3.3
300.99799	3.9
315.07333	2.0
345.08273	57.9
346.08618	4.2
351.02573	1.4
454.33533	1.4
467.72882	1.4
481.09796	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0991
Annotation	Myrciaphenone B
Peak:m/z	Relative Intensity
52.57319	0.8
53.38962	0.8
54.17986	0.7
55.01895	1.0
59.01380	3.7
66.53131	0.8
69.03484	0.9
69.58709	5.7
71.01387	7.8
72.99313	1.0
73.02979	1.6
78.95928	0.9
79.01882	1.8
81.03455	1.0
83.01421	1.4
85.02953	3.7
87.00904	0.9
95.01398	2.2
97.02946	3.3
101.02436	3.4
107.01395	7.7
108.02163	1.7
109.02948	3.3
109.12024	0.8
111.00902	3.9
113.02416	2.6
122.03745	8.5
123.00897	17.9
123.04538	18.2
124.01673	1.6
125.02464	43.4
126.02798	1.8
127.00372	1.3
128.73898	0.8
136.98793	1.8
137.02432	3.3
139.00389	8.3
139.04030	11.0
140.01186	5.9
141.01926	2.3
151.00391	11.5
153.01912	2.9
160.04082	2.8
161.04568	2.2
163.03996	2.0
165.01900	4.2
167.03554	1.0
167.99667	0.6
168.00693	6.7
169.01443	56.0
170.01759	1.6
181.01399	1.4
181.05106	1.0
183.02933	2.0
211.02519	1.7
213.98199	0.8
216.41608	0.8
275.01950	1.2
297.06110	2.9
300.99927	6.4
313.05676	13.2
329.08829	1.6
345.08215	5.1
403.41492	0.8
437.10934	100.0
438.11234	9.5
463.08920	1.4
481.10144	22.8
482.10660	2.5
490.90515	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54127	0.3
51.96804	0.3
56.77640	0.3
57.38553	0.3
59.01389	2.1
59.49019	0.3
71.01380	0.9
71.12278	0.6
72.14634	0.3
85.02950	0.4
89.02493	0.4
95.01429	0.5
123.00881	1.1
125.02443	0.6
133.03006	0.4
145.02971	1.4
146.18652	0.3
147.04521	0.9
157.02975	0.6
159.04538	1.0
163.04005	0.5
173.02428	1.3
175.04047	1.2
177.01944	0.5
185.02481	3.5
186.02925	0.4
187.04041	0.4
189.01974	0.7
191.03531	0.8
201.01944	3.7
203.03487	3.4
204.03989	0.3
213.01935	0.9
214.02637	0.5
216.00449	0.4
217.01454	0.6
219.02963	1.1
226.99818	0.4
229.01404	8.4
230.01764	0.5
231.03008	2.7
245.00909	1.5
247.02513	1.0
249.04042	2.9
250.04358	0.3
257.00961	6.1
258.01675	1.9
273.00336	0.5
274.01044	0.6
275.02005	25.2
276.02206	1.6
283.99612	3.3
299.99127	2.6
300.99915	100.0
302.00269	6.0
421.04294	1.9
481.06259	30.7
482.06418	3.0
491.10483	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	2.7
61.80002	0.9
67.01901	1.4
68.99812	1.0
71.01395	7.3
71.05026	0.8
72.99286	0.8
73.02953	1.7
74.10757	0.8
79.01920	1.4
79.32938	0.6
81.03449	0.9
83.01399	1.6
85.02949	3.5
89.02418	1.1
95.01382	2.6
95.05007	0.7
97.02953	2.6
98.19741	1.0
101.02454	3.7
107.01402	8.6
108.02196	1.8
109.02950	2.8
111.00912	4.1
113.02459	2.7
113.03847	0.7
122.03754	8.3
123.00903	14.7
123.04545	17.6
124.01671	2.5
124.04863	1.0
125.02458	43.0
126.02781	1.2
127.00382	0.9
136.98804	2.3
137.02455	2.7
139.00377	6.1
139.04033	6.4
140.01192	5.5
141.01967	1.8
149.09720	0.7
151.00374	11.7
151.04070	0.8
153.01961	1.9
161.04564	2.1
165.01955	2.2
165.17380	0.7
167.03426	1.1
167.10866	0.8
168.00659	5.8
169.01443	52.0
170.01718	2.2
183.02933	1.4
275.02100	1.2
297.06183	1.3
298.71704	0.8
300.99908	5.5
313.05640	12.3
329.08994	1.4
345.08316	4.1
383.32626	0.8
421.20801	1.5
437.10919	100.0
438.11224	9.5
450.98264	0.8
463.08984	1.2
467.46924	0.8
467.53604	0.7
481.09979	23.7
482.10190	2.7
507.22748	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.2
59.01659	0.5
61.57792	0.6
61.98842	4.9
65.00362	0.7
67.01909	0.7
69.03508	0.7
69.59745	3.3
71.01399	3.5
73.02935	0.7
76.60809	0.5
79.01849	0.6
83.01418	1.0
85.02958	1.3
89.02454	1.4
95.01392	1.1
97.02953	0.6
101.02454	1.4
107.01418	5.2
108.08217	0.7
111.00888	1.4
113.02464	1.1
119.05065	1.1
121.02963	2.9
123.00905	5.7
124.01698	1.4
125.02455	32.4
126.02748	0.8
133.03018	2.3
135.08122	0.6
136.05298	4.7
137.02455	1.0
139.00400	1.6
140.01201	0.7
145.02957	1.3
151.00377	6.2
151.02773	9.7
151.03995	0.6
152.07178	1.6
161.04576	0.6
163.03938	0.9
166.05106	100.0
167.03548	0.6
167.05417	3.3
168.00659	1.2
169.01437	42.5
170.01743	1.6
175.03983	1.0
183.01747	3.5
199.04053	0.8
211.02475	1.7
223.02467	0.7
241.03465	1.3
250.07298	0.6
267.55560	0.8
274.30161	0.6
284.03262	0.8
285.04074	40.5
286.04510	2.8
295.18231	0.6
300.99860	2.1
313.05676	69.7
314.06149	2.9
349.22360	0.7
355.12775	0.7
403.74005	0.7
417.08267	15.2
418.08505	1.2
445.14990	1.0
480.11465	35.2
481.12253	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	480.3101
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
71.56153	1.6
78.95480	1.8
78.95912	20.2
140.01219	3.4
152.99553	3.8
196.03810	11.1
214.04930	1.9
245.04340	2.7
283.26450	100.0
284.26776	6.5
300.99832	1.8
480.30997	29.0
481.25040	2.2
481.31418	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	481.063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.1
59.71602	0.4
71.01383	1.5
71.12740	0.9
85.02947	0.4
89.34898	0.4
95.01402	0.6
114.02208	0.4
119.05011	0.5
123.00922	1.4
133.02985	0.6
145.02957	1.3
147.04549	0.6
154.45854	0.4
157.03004	1.0
162.39786	0.5
163.04047	0.5
173.02463	2.3
175.04012	1.3
177.01984	0.4
185.02443	3.3
191.03520	1.2
201.01990	3.3
203.03555	3.5
205.01613	0.4
213.01974	1.0
217.01378	0.9
219.03036	0.9
229.01431	8.5
230.02029	1.0
231.02982	3.1
244.75647	0.4
245.00938	1.8
247.02441	0.8
249.04066	3.0
257.00919	7.2
257.63904	0.4
258.01599	2.6
259.02271	0.5
273.00293	0.8
275.02014	30.0
276.02252	1.3
283.99619	3.0
299.99176	2.5
300.99927	100.0
302.00323	6.9
421.04196	2.2
478.49905	0.5
481.06296	31.7
482.06302	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	479.33
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	88.3
71.56441	100.0
71.56827	79.8
95.59588	83.7
149.22136	82.2
316.35797	94.8
462.59198	89.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
63.05088	19.2
69.36013	100.0
69.36417	48.5
99.95461	17.9
150.51721	23.1
208.22029	20.4
219.52328	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	480.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72108	0.5
55.30018	0.6
60.79966	0.5
61.98833	5.3
66.53490	0.5
69.23914	5.1
69.24310	1.0
79.96205	0.6
107.01412	2.2
111.00892	1.2
112.36258	0.5
123.00857	0.8
125.02442	4.6
133.02962	4.1
149.02463	1.2
151.00412	4.7
154.54451	0.6
166.05098	7.6
169.01413	5.7
175.04025	1.6
182.54008	0.6
199.04042	1.7
201.02042	0.7
217.05067	1.3
218.67128	0.6
241.05060	0.9
243.03156	0.8
256.03827	1.5
268.72284	0.6
272.21350	0.6
284.03271	2.2
285.04071	100.0
286.04385	6.5
313.05652	6.8
334.01080	0.6
417.08298	34.5
418.08624	3.2
480.11304	4.4
481.17300	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02342	0.3
59.01387	5.0
61.98836	8.7
65.00332	0.6
66.03472	0.7
67.01884	2.1
69.03461	0.9
69.30607	1.9
69.31023	1.1
71.01388	4.3
73.02957	0.7
83.01392	0.9
85.02958	1.3
88.70673	0.4
89.02444	1.2
92.05061	0.4
93.03443	0.5
95.01388	1.1
95.59232	0.4
97.02939	0.8
99.00891	0.6
101.02475	2.2
107.01401	7.2
108.06429	0.4
109.02988	0.5
110.02498	1.3
111.00903	5.7
113.02473	1.5
121.02947	0.4
121.05308	0.9
123.00887	5.6
123.04465	0.4
125.02459	32.9
126.02790	0.9
127.00409	0.3
133.02959	6.1
135.04453	0.4
136.05310	6.9
137.02475	0.7
139.00371	2.2
140.01138	1.0
141.01929	0.7
145.02954	0.9
147.35999	0.3
149.02470	0.8
149.87303	0.4
151.00377	8.6
153.01967	1.2
161.02399	0.4
163.03973	0.5
166.05104	66.5
167.03516	0.4
167.05403	1.6
168.00653	1.7
169.01440	42.5
170.01799	1.1
175.03960	2.6
177.02072	0.5
199.03883	1.9
201.01897	1.2
207.10353	0.6
207.35425	0.4
211.02466	1.3
211.84294	0.4
215.03621	0.4
217.05133	1.8
241.03352	0.7
243.02759	0.5
253.03595	0.6
256.03885	1.0
271.04593	0.5
284.03256	1.9
285.04062	100.0
286.04404	6.3
300.99945	3.9
313.05667	55.2
314.06146	2.7
369.15610	1.1
412.73456	0.5
417.08292	36.0
418.08621	3.3
479.24927	0.7
480.11514	44.7
481.11591	3.6
481.17349	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	479.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54538	0.4
55.01889	8.1
57.03452	5.5
58.00595	1.3
59.01390	41.3
60.01739	0.5
60.77149	0.4
64.96460	0.4
68.99822	0.5
69.03479	2.4
69.29782	4.2
71.01392	64.5
72.01716	0.8
72.99320	1.8
73.02959	37.2
75.00883	2.0
78.66274	0.4
81.03477	0.6
83.01400	16.6
85.02963	34.2
86.00102	3.2
87.00894	5.6
89.02456	14.5
95.01402	4.5
97.02975	3.4
99.00893	13.9
99.04494	0.6
101.02460	67.9
102.02790	1.3
111.00883	2.6
113.02468	24.5
114.02795	0.7
115.04031	2.9
125.02467	5.2
129.01942	1.7
131.02649	0.6
131.03528	4.4
141.01961	0.5
143.03520	2.6
149.04587	2.3
159.03032	5.2
161.04581	23.4
162.04924	0.5
179.89226	0.5
183.17523	0.7
183.84656	0.5
191.05661	1.3
205.03662	0.8
215.33945	0.5
227.20184	0.7
233.06711	4.6
255.19727	0.7
293.08868	2.0
347.24420	94.6
348.24777	7.2
391.23608	0.5
454.56537	0.5
479.28668	100.0
480.29028	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	479.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89690	1.4
53.68227	1.4
57.03450	8.6
58.00601	3.4
59.01386	70.2
67.01904	3.5
69.03467	7.9
71.01389	76.7
71.56578	2.8
72.99310	7.8
73.02960	13.9
75.00874	3.9
81.03452	4.3
83.01395	7.2
85.02953	11.6
87.00883	7.3
89.02454	100.0
89.74016	1.8
93.03444	2.8
95.01402	6.9
97.02972	14.6
99.00893	19.8
99.04529	2.7
101.02464	28.5
102.80011	1.8
107.01379	3.5
108.02169	2.2
109.02978	4.1
111.00885	21.4
113.02444	13.7
115.04017	7.0
119.03547	6.4
119.05037	3.5
119.44649	1.8
120.99614	2.8
121.02979	2.2
121.06612	2.5
123.00923	7.3
125.02462	80.8
126.02813	6.7
127.02873	5.0
131.03511	13.1
134.03770	3.1
136.05324	1.9
137.01463	1.9
137.02452	5.9
138.01982	6.8
139.00395	8.6
140.01173	2.0
143.03471	2.8
145.02956	3.2
149.02611	1.9
149.04597	22.5
150.03239	3.0
151.00377	5.8
153.01878	2.6
155.10785	7.4
161.02415	1.9
161.04605	3.5
161.05948	2.8
163.03992	4.7
165.02057	2.0
165.05592	4.7
165.09265	2.8
166.99911	1.9
168.00671	6.3
169.01440	46.9
170.01770	9.8
171.01912	6.5
182.05830	3.0
185.11877	31.7
189.01895	2.3
190.02731	1.9
191.05592	11.3
193.01472	2.0
193.04951	2.2
197.08295	2.3
199.09721	3.2
199.13405	2.4
201.02063	2.3
209.11888	3.8
211.02422	4.5
225.11301	2.4
233.06651	33.9
239.12924	3.5
255.11491	4.2
271.04620	5.0
273.00391	6.4
273.12433	5.0
274.00876	3.8
281.06662	4.6
293.08795	53.9
294.09109	3.6
300.99747	6.9
302.00458	5.9
313.05722	2.2
316.83273	1.8
317.02997	17.7
317.06696	4.2
317.11746	3.0
332.07108	4.0
333.07285	8.2
419.23163	2.1
443.15842	2.0
461.03928	2.0
479.09540	9.0
479.15640	18.0
479.22699	3.2
480.16257	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	479.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87210	1.4
56.94660	1.4
57.03439	1.9
59.01387	14.1
60.21913	1.4
69.03446	2.6
69.57920	11.6
71.01407	11.7
72.99328	17.5
73.02927	4.8
75.00901	3.2
83.01392	3.3
85.02969	3.9
87.00883	4.4
89.02447	6.1
91.05528	2.1
95.01361	2.5
95.16805	1.4
95.56610	1.7
96.96955	1.6
97.02956	10.7
101.02477	7.8
103.03996	3.2
107.01402	2.4
109.02982	2.7
111.00855	3.1
113.02445	4.6
119.05023	8.2
121.02942	2.5
122.06075	2.2
123.00902	7.4
123.04538	3.1
125.02457	54.8
126.02771	4.5
134.03775	2.4
135.04527	6.4
137.02443	3.3
138.05585	2.0
139.00375	4.3
145.02965	5.0
147.04535	25.9
149.06104	3.2
151.00352	4.3
152.01147	2.4
153.01949	3.4
159.04558	2.4
161.02481	2.4
161.04622	2.0
161.06065	2.8
163.04016	11.5
163.06091	2.1
165.05594	2.9
166.05206	2.2
167.03554	3.4
168.00591	3.2
169.01447	30.5
170.01767	4.0
171.01865	3.4
177.05591	8.0
181.01489	2.1
185.11806	4.5
191.03514	46.6
193.05142	3.6
205.05074	12.4
207.06618	5.4
209.04572	25.5
209.78261	1.6
211.02469	4.3
219.06592	3.2
223.06128	3.8
233.04541	20.9
235.06157	3.3
247.06071	4.4
251.05664	15.1
271.04712	4.0
272.04785	2.6
273.12537	1.9
275.05765	2.4
293.06650	10.9
300.99927	5.7
313.05719	2.9
315.06110	3.4
353.08850	21.1
397.56924	4.1
461.10419	1.7
479.11890	100.0
480.12158	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	478.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
71.97495	0.4
78.95911	19.1
80.55873	0.5
96.95989	0.4
98.20654	1.3
122.00151	1.0
140.01207	5.5
152.99561	1.5
196.02043	0.7
196.03815	9.9
210.96527	1.7
214.04805	1.9
214.99185	0.4
281.24869	100.0
282.25183	7.5
300.99820	0.8
301.56183	0.4
478.29437	24.7
479.09631	0.4
479.29678	2.6
479.36859	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88717	0.4
69.62576	0.3
69.97369	1.9
78.95919	5.2
98.19997	0.5
99.39383	0.4
112.31299	0.4
115.75468	0.4
140.01161	2.0
151.04610	0.3
152.99559	1.0
196.03816	1.7
210.96556	0.4
214.04924	2.3
229.38680	0.4
246.32037	0.4
281.24878	100.0
282.25253	8.2
305.80051	0.4
347.54135	0.4
401.83069	0.4
478.29633	8.1
478.36319	1.0
479.29788	0.6
479.36652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.12
Annotation	Ampelopsin 3'-methyl ether 4'-rhamnoside
Peak:m/z	Relative Intensity
59.01382	7.2
69.03454	0.8
71.01389	3.2
71.55398	0.5
71.56483	0.9
72.99305	1.7
75.00829	0.7
79.01900	1.2
81.03487	0.6
83.01389	0.7
85.02950	1.0
87.79913	0.7
89.02441	1.2
93.03455	2.8
95.01402	2.0
96.96026	1.4
96.96998	0.8
97.02940	0.8
101.02467	1.4
107.01411	6.7
111.00832	1.3
113.02422	1.4
119.05016	1.7
121.06605	3.1
123.00900	11.0
124.01684	0.8
125.02460	36.1
126.02773	1.2
127.00425	1.1
135.04564	0.9
136.98799	1.1
139.00378	3.3
140.01175	2.7
141.01886	0.9
145.02953	1.5
151.00389	8.8
153.01973	0.7
163.04028	1.0
165.05586	16.9
167.03523	0.7
168.00668	3.1
169.01437	47.0
170.01738	2.1
171.01895	0.7
179.03551	0.8
211.02586	1.1
223.02483	0.8
241.03539	0.9
300.99628	0.8
307.08563	0.9
313.05692	12.8
315.06409	1.1
317.10284	1.1
411.95230	0.6
461.10873	7.4
462.11578	0.8
479.11932	100.0
480.12259	10.4
492.39700	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34895	4.1
59.01384	7.7
68.90683	4.4
74.54279	4.2
78.95910	100.0
96.96972	9.6
152.99583	15.0
169.01419	5.3
171.00645	10.7
277.21716	67.0
300.99930	7.0
477.27966	55.0
477.35782	14.0
478.28195	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11739	3.0
59.01390	23.2
60.99310	13.0
67.01875	5.0
69.45731	20.1
71.01378	11.5
85.02956	5.4
87.00885	3.5
88.98811	86.1
89.02454	5.3
93.03441	3.2
95.01393	8.8
96.96021	2.7
97.02950	4.0
98.20670	2.9
101.02454	5.6
104.00470	2.5
107.01424	17.6
108.01704	3.0
111.00890	5.0
113.02464	3.6
119.05042	33.1
123.00909	15.2
125.01527	4.7
125.02464	76.1
126.02772	10.4
127.03017	2.9
135.04543	3.1
137.02449	5.8
137.62691	3.0
139.00377	5.6
145.02904	4.0
151.00343	5.5
161.02441	4.8
161.04594	3.3
163.04059	13.3
165.01930	4.6
166.99927	5.5
168.00529	5.8
169.01439	100.0
170.01793	18.6
171.01894	6.1
173.02441	3.3
176.04362	2.7
177.02008	4.1
185.02383	4.4
189.01930	5.0
190.02559	4.3
191.03468	9.0
192.03873	3.3
201.02026	4.3
203.03406	3.2
209.00912	4.7
217.01303	3.2
219.02982	3.4
229.01414	7.5
231.02985	3.1
232.03427	2.9
245.00925	8.2
246.01286	5.1
247.02400	10.7
248.02789	4.3
249.03600	8.1
252.70020	2.8
257.00961	4.5
258.01547	3.7
269.12271	3.8
273.00366	5.8
275.02020	21.9
276.02261	8.0
279.12393	4.6
289.03604	4.6
291.01172	4.3
299.13156	4.8
300.99893	46.8
302.00192	27.6
303.00470	9.5
304.00745	7.7
313.05640	19.3
378.53827	3.3
387.16592	6.4
389.16650	3.8
415.12604	3.7
453.53751	3.6
454.54282	7.9
477.04794	4.4
477.10260	51.9
477.18201	14.9
478.10455	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	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.6
67.54142	0.1
69.03467	1.6
69.44480	0.2
69.64324	1.1
71.01373	0.3
79.01910	0.5
81.03456	0.8
83.01391	0.2
87.40308	0.1
95.01418	0.4
97.02978	1.6
101.02485	0.3
103.95489	0.2
107.01383	0.6
117.03497	1.1
119.05025	1.0
123.00893	0.7
124.01688	0.7
125.02459	60.9
126.02807	1.5
139.00377	0.4
145.02969	3.6
151.00374	0.2
153.01965	0.9
154.02687	0.2
155.10794	0.3
163.04048	0.6
168.00687	0.5
169.01440	100.0
170.01775	3.0
240.60515	0.2
285.03888	0.2
300.99731	0.2
302.00150	0.3
303.00565	0.2
307.08157	0.8
313.05612	0.3
314.04288	0.4
331.06580	1.0
447.05853	0.2
477.09708	2.0
477.20032	0.2
478.09927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1404
Annotation	Lindleyin
Peak:m/z	Relative Intensity
57.03450	0.7
59.01382	9.3
61.98827	1.5
65.00323	0.8
67.01899	1.2
69.03455	1.4
69.53967	2.1
71.01381	7.6
73.02950	1.5
74.22231	0.5
75.00922	0.7
79.01894	1.1
81.03458	0.5
83.01392	1.8
85.02960	3.4
87.00864	1.0
89.02448	2.6
95.01386	2.8
97.02960	1.5
99.00864	1.0
101.02444	5.5
107.01401	10.1
108.02178	0.7
108.26189	0.5
109.02954	0.5
110.00080	0.6
111.00882	3.7
113.02477	2.9
119.03503	1.9
119.05021	0.8
123.00897	13.6
124.01685	1.5
125.02458	53.9
126.02798	1.5
127.00450	1.2
136.98822	2.2
137.02440	0.7
139.00389	6.0
140.01164	5.0
141.01956	0.6
145.02927	1.1
147.04507	0.6
148.05322	25.5
149.05983	1.9
151.00394	8.9
153.01994	0.5
160.04059	0.8
161.04559	1.4
163.04028	1.1
163.07674	8.8
166.99847	0.7
167.03516	0.8
168.00636	4.9
169.01437	67.0
170.01797	2.0
179.03551	0.6
179.10786	0.8
183.03027	1.7
183.12515	0.5
183.13968	2.9
187.48871	0.5
194.90833	0.4
211.02454	1.4
223.02539	0.7
241.03531	1.1
242.75861	0.5
253.03421	0.6
262.30267	0.5
290.73669	0.5
299.01978	0.6
313.05685	31.5
314.05859	1.7
323.05692	0.7
327.07224	1.2
417.24942	0.9
441.61584	0.5
445.07315	0.6
477.14047	100.0
478.14365	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	477.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26403	0.5
59.01388	5.3
61.98827	1.7
69.29765	2.6
69.30193	3.1
71.01370	3.5
71.29547	0.7
72.99323	1.1
78.95911	2.1
83.01380	0.9
85.02972	2.2
87.00890	1.1
89.02436	1.5
96.96025	1.6
96.96985	2.1
98.20698	1.0
101.02480	2.0
107.01389	1.2
109.02945	1.7
110.00127	4.2
111.00899	2.4
113.02477	1.5
113.31045	0.7
117.03481	27.4
118.03799	0.9
119.05026	13.6
120.80933	0.7
121.02953	1.6
123.00907	2.5
123.04543	1.3
125.02470	9.8
134.03760	0.6
137.99623	4.5
138.01958	1.8
139.00388	12.0
139.02147	0.8
140.01141	1.5
143.16043	0.6
145.02971	100.0
146.03305	4.5
150.03221	1.1
151.00395	1.9
152.01160	1.2
153.01949	50.0
154.02733	12.0
155.03500	2.7
159.04617	0.9
161.02454	1.9
161.06071	1.8
163.00375	0.9
163.04027	14.5
165.05623	1.4
166.02731	1.7
167.03491	1.4
168.04294	16.8
169.01453	8.2
169.05083	8.3
170.86223	0.8
181.05109	2.1
187.04095	0.7
193.01451	0.7
195.03021	1.8
195.06769	0.8
205.05089	1.4
211.02396	1.2
255.05168	2.5
265.07248	0.9
299.99252	0.8
300.99887	1.8
307.08258	31.6
308.08563	1.8
313.05908	0.8
315.01315	0.9
336.46655	0.7
439.04016	0.9
477.14114	43.5
478.14456	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	477.1407
Annotation	Lindleyin
Peak:m/z	Relative Intensity
55.01887	0.4
57.03440	0.4
58.84204	0.2
59.01382	3.7
61.98841	0.7
65.00305	0.5
67.01897	0.8
68.99828	0.4
69.03477	1.0
71.01387	4.9
71.04929	0.5
72.99329	0.5
73.02952	0.9
79.01891	1.2
80.31790	0.3
81.03496	0.5
83.01387	1.3
85.02956	1.7
87.00887	0.4
89.02467	0.7
95.01395	1.9
97.02972	1.1
99.00896	0.6
101.02466	2.1
107.01405	9.6
109.02953	0.5
110.00114	0.5
111.00881	2.8
113.02458	1.9
116.84421	0.2
119.05062	0.4
119.42985	0.3
123.00902	12.7
123.04552	0.4
124.01679	1.4
125.02457	50.8
126.02811	1.0
127.00381	0.9
136.98836	1.6
137.02432	0.8
139.00388	5.3
139.04012	0.8
140.01183	4.0
141.01965	1.8
143.03487	0.3
145.03015	0.7
147.04543	0.6
148.05319	26.2
149.02472	0.3
149.05988	1.7
151.00380	8.5
151.04047	0.5
153.01950	1.2
161.02419	0.3
161.04546	0.7
163.07671	6.3
164.08051	0.4
166.99904	0.3
167.03508	0.5
168.00641	3.8
169.01437	63.2
170.01872	1.4
177.01923	0.3
179.03532	0.4
182.00626	0.3
183.03018	1.1
193.01456	0.3
195.02962	0.3
211.02483	1.2
223.02467	0.4
231.15967	0.3
231.18919	0.2
241.03532	0.6
253.03465	0.6
279.12555	0.4
284.43942	0.3
291.22534	0.3
297.06189	1.0
313.05667	19.3
314.06076	0.9
327.07272	1.7
477.14032	100.0
478.14371	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	477.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85011	0.7
59.01390	19.2
64.03147	0.8
69.48195	5.3
71.01415	1.3
75.75307	0.8
79.74115	0.8
81.03479	1.0
87.62901	0.8
95.01384	1.0
97.81045	0.8
99.00909	0.8
107.01407	5.5
111.66317	0.7
119.05043	7.4
123.00889	3.9
125.02464	14.7
126.02789	2.3
141.01984	0.7
151.00388	14.5
163.04010	3.1
166.02734	60.2
167.03090	2.2
169.01454	17.6
170.01782	2.9
171.02061	0.9
175.03949	0.9
181.05086	100.0
182.05420	3.3
191.03519	1.3
229.01367	1.3
245.01001	0.8
270.98907	1.0
273.00220	1.3
274.00919	1.0
275.01886	2.3
276.02438	1.2
298.98398	2.7
300.99887	5.5
302.00232	3.8
303.00455	2.4
313.05746	2.2
314.00925	1.9
377.14615	1.3
433.11371	1.2
454.54596	2.9
455.04276	1.1
468.11133	0.9
477.11188	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	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.7
62.04737	0.8
69.77646	5.3
71.01389	2.5
72.78285	1.1
79.01927	1.5
85.02933	1.2
93.03471	1.5
95.01410	2.2
101.02453	1.0
104.16941	1.0
107.01399	5.5
113.02467	2.4
115.73304	0.9
117.03488	4.2
119.05029	23.8
121.02964	1.8
123.00903	16.1
124.01637	1.2
125.02466	40.8
132.05836	1.9
133.06599	7.7
137.02451	1.1
139.00368	5.3
139.03915	1.1
140.01126	1.2
141.01971	2.2
145.01889	1.8
145.02969	25.9
146.03365	0.9
151.00395	10.6
161.02487	1.2
161.06108	19.2
162.06464	2.1
163.04033	36.2
164.04375	1.3
165.02084	0.9
166.37012	0.9
168.00684	3.4
169.01443	57.9
170.01813	2.1
177.05562	8.6
187.04016	1.7
193.01430	2.1
205.05077	16.5
206.05353	1.2
211.02487	7.0
235.06114	6.5
253.03532	1.8
265.07178	20.2
313.05640	4.0
315.05087	1.9
325.09299	1.8
331.06732	2.6
387.07175	1.9
404.69241	1.0
417.08301	5.2
477.10416	100.0
478.10736	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	477.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01233	0.9
53.88462	0.9
56.89487	0.9
71.01391	3.5
71.20171	1.2
71.20492	1.9
107.01409	8.0
113.02491	2.1
119.05038	69.7
120.05408	2.0
123.00906	8.0
125.02457	42.7
126.02777	1.5
128.19489	1.1
139.00441	2.7
140.01161	2.3
141.01878	1.9
151.00359	9.5
155.12971	1.1
155.66106	1.0
163.04031	22.7
164.04321	1.3
168.00626	3.0
169.01445	58.4
170.01810	3.2
211.02480	1.6
313.05664	27.4
313.09332	1.4
314.06223	1.5
433.11322	7.7
453.51151	1.6
459.09387	2.6
477.10416	100.0
478.10873	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	477.1058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65764	0.4
59.01373	1.7
69.03455	1.1
70.03621	1.3
71.01390	0.6
79.01904	0.6
81.03422	0.6
89.07425	0.5
90.55468	0.5
95.01404	1.2
97.02956	1.7
97.75811	0.4
99.00909	1.0
102.84645	0.5
107.01388	2.1
109.02997	0.6
111.00893	0.8
117.03509	0.7
119.05050	5.5
119.72529	0.4
122.63686	0.5
123.00889	4.2
124.01711	3.9
125.02460	68.3
126.02808	3.8
137.02440	0.9
139.00391	1.4
145.02997	3.0
147.04529	0.7
149.02429	0.9
151.00412	0.8
153.01997	0.8
159.04568	0.6
161.02477	0.6
163.04053	5.0
166.99873	1.3
168.00662	5.7
169.01439	100.0
170.01775	5.7
173.91147	0.5
175.04010	1.2
177.01886	0.6
177.05542	0.7
185.37675	0.4
187.04129	0.7
191.03659	1.1
193.01453	1.2
193.08597	0.5
193.45038	0.5
201.01981	0.8
203.03519	1.8
204.03995	0.8
209.00949	0.5
211.02495	2.4
217.01439	0.5
221.04480	0.5
229.01469	0.6
231.02969	0.8
245.00967	0.7
247.02530	1.4
249.03993	1.4
250.04193	0.6
257.00842	0.5
268.00101	0.5
270.98798	0.9
271.04623	2.7
275.01901	2.5
276.02332	1.1
281.04788	0.5
298.98447	0.6
299.99225	2.1
300.99936	10.5
301.03375	1.2
302.00320	4.2
303.00500	1.3
307.08038	0.8
313.05676	2.2
315.01581	1.7
331.06711	40.9
332.07111	1.8
369.53525	0.5
377.53699	0.4
378.03720	0.5
391.53290	0.5
433.11661	1.0
440.55051	1.0
453.54074	2.6
454.04370	1.5
454.54770	1.9
455.05215	0.5
462.54736	3.4
463.04837	2.4
477.10541	25.6
478.10831	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	477.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
57.56335	0.8
59.01383	5.9
69.03462	1.5
71.01392	1.7
71.33046	1.7
76.59673	0.7
89.02444	3.1
93.81431	0.8
95.01385	1.8
97.02952	1.9
101.02473	1.3
102.09490	0.7
107.01412	2.6
117.03480	1.6
119.05045	7.2
123.00917	2.4
124.01683	4.1
125.02458	68.1
126.02811	2.4
133.02985	1.0
135.04539	3.0
139.00320	1.9
145.02965	4.5
158.73874	0.9
163.00325	0.9
163.04024	6.6
163.14508	0.9
166.99811	1.6
168.00650	6.3
169.01437	100.0
170.01770	4.0
179.03537	1.7
211.02492	2.9
242.99217	1.4
244.00151	1.2
247.02599	0.9
270.98895	18.4
271.04663	1.8
275.01874	1.8
297.06137	1.1
298.95154	1.6
298.98318	18.9
299.99115	80.2
300.99741	11.6
302.00247	4.3
303.00348	1.4
313.05679	2.3
314.00708	11.8
315.01471	67.0
316.01761	2.9
331.06726	40.2
332.07028	2.3
346.92944	0.8
454.54343	1.0
477.06772	47.3
477.11197	12.6
478.07156	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	477.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
66.21729	2.6
70.29080	10.9
72.73695	2.4
75.00881	3.1
78.95897	4.5
86.07643	2.5
96.96962	4.9
98.20548	3.0
101.14749	2.8
105.92868	2.6
108.02190	55.1
109.02982	12.6
115.00384	3.3
118.98116	2.8
125.02431	6.4
128.07117	3.0
133.01401	5.1
135.03012	6.4
146.42311	2.4
147.38678	3.0
148.30771	2.8
152.01170	60.3
153.01965	29.9
155.72165	2.6
169.01411	12.0
191.05576	4.2
285.06180	100.0
285.88641	3.0
286.06476	4.9
300.99890	3.6
426.34683	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	477.1041
Annotation	8-C-Rhamnosyleuropetin
Peak:m/z	Relative Intensity
53.55567	0.7
59.01392	0.8
67.01892	1.1
70.15994	2.9
71.01385	2.8
79.01918	0.8
95.01427	1.2
97.02914	1.1
101.02473	1.6
107.01402	6.5
111.00887	0.9
113.02460	0.8
117.03540	0.8
119.05037	67.1
120.05395	1.0
123.00894	9.2
124.01676	1.2
125.02458	44.7
126.02789	1.1
136.20895	0.8
136.98845	0.9
137.02469	0.8
139.00383	3.2
140.01149	1.6
141.01976	1.4
151.00403	6.5
163.04022	28.0
164.04521	1.0
165.56308	0.7
168.00656	2.6
169.01436	65.2
170.01750	2.1
181.67358	0.7
211.02536	1.6
253.03600	1.0
270.98813	0.9
298.98257	1.8
313.05667	40.0
314.00604	1.8
314.06033	2.9
433.11469	1.2
477.10477	100.0
478.10818	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	477.0696
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	10.1
62.19453	1.1
67.01886	1.4
69.03452	2.1
70.13646	2.9
70.14063	2.0
71.01371	2.3
79.01908	1.3
81.03442	1.2
81.24689	1.1
88.98789	1.1
89.02459	1.6
93.03467	37.0
94.03758	1.5
95.01382	4.1
96.96005	3.8
97.02944	2.2
107.01396	8.1
107.56970	1.1
111.00905	3.0
111.04569	1.2
113.02438	2.0
119.03488	1.2
119.05030	3.7
123.00893	11.9
124.01678	6.2
125.02460	90.6
126.02805	6.1
127.00371	1.0
127.02914	1.5
137.02457	98.5
138.02792	1.5
139.00410	5.9
140.01147	3.3
141.01935	1.4
145.02971	1.4
147.04605	1.1
148.26346	1.0
151.00417	7.9
155.03491	1.2
161.02469	1.5
161.04419	1.1
162.03189	1.9
163.03935	1.7
166.99863	1.9
168.00673	10.2
169.01437	100.0
170.01836	8.7
171.01929	1.2
171.04495	1.0
173.04590	1.2
173.06091	1.5
174.02867	1.2
175.04007	1.2
191.03558	1.6
201.05598	7.7
205.90994	1.2
211.02444	3.7
212.02870	3.2
213.02965	2.8
217.05098	1.2
219.06641	5.9
245.00885	2.2
245.04578	1.5
247.02490	1.9
263.05603	31.2
264.05972	2.2
271.04556	5.0
272.04929	4.2
273.00388	2.3
273.05087	4.8
274.00742	1.4
275.01959	3.4
280.37793	1.3
289.03564	64.5
290.03876	4.4
299.99100	1.6
300.99911	9.3
302.00235	4.8
303.00470	3.3
307.04599	16.1
308.05365	4.3
313.05670	2.4
315.08606	1.2
325.13983	2.1
416.12711	1.3
417.13190	1.7
447.44205	1.2
454.54657	5.9
476.15134	2.5
477.06726	34.9
477.15204	11.0
478.07159	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	476.2783
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
70.97533	0.4
70.97859	0.5
78.95911	24.3
87.60146	0.3
96.96971	0.5
108.44293	0.3
122.00161	0.8
123.00912	0.4
125.02424	0.8
140.01193	6.4
152.99571	2.3
169.01414	0.8
171.00603	0.7
196.03807	10.6
196.05600	0.6
197.34090	0.3
214.04872	2.4
248.64331	0.3
261.22043	0.4
261.37683	0.3
279.23303	100.0
280.23651	7.4
300.99979	0.8
302.00281	0.4
400.66232	0.3
476.27872	27.5
477.28281	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	476.278
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.28058	0.5
57.98055	0.4
59.01383	0.8
61.98836	0.5
70.97311	1.0
73.29855	0.4
78.95911	100.0
96.96973	7.8
103.58750	0.5
107.01446	0.5
123.00851	0.5
125.02472	2.8
126.02767	0.5
132.22855	0.5
148.32489	0.5
152.99588	16.7
163.00615	0.5
169.01503	2.3
171.00655	17.8
238.09042	0.4
277.21796	0.6
279.23297	1.2
300.99887	1.9
302.00159	1.1
382.23676	0.5
402.24252	1.8
452.97046	0.5
454.04330	0.6
475.36557	0.5
476.27863	59.1
476.34708	2.1
477.27994	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	477.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.21254	0.5
59.01387	5.4
67.01907	0.7
69.03472	1.9
71.01407	0.9
78.85825	0.6
81.03490	1.3
82.23078	0.5
83.05035	0.6
83.22520	0.5
85.02994	0.6
88.05085	0.5
93.03472	5.9
95.01392	1.0
97.02995	1.5
101.02444	0.8
107.01401	1.9
111.00917	0.7
111.04552	2.3
123.00923	1.3
124.01667	1.7
125.02464	73.3
126.02818	3.1
130.05061	0.6
137.02478	4.1
139.00323	0.9
140.01198	0.8
151.00426	1.1
155.03542	1.7
161.04594	1.0
166.06389	3.7
168.00681	3.6
169.01442	100.0
170.01811	2.0
175.68567	0.5
176.60095	0.5
181.08699	5.4
199.60791	0.6
201.05536	3.2
245.04593	1.1
246.95912	0.6
263.05603	1.3
276.02347	0.5
289.03546	1.3
300.99973	1.6
302.00085	0.7
307.04599	1.4
313.05505	1.1
325.05679	5.2
364.65091	0.6
439.08725	5.6
440.09100	0.9
441.09470	0.9
477.06653	15.8
478.07166	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2787
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.52840	0.2
55.62606	0.2
59.01371	0.4
59.43231	0.2
59.65864	0.2
60.82367	0.2
70.30489	0.8
78.95487	0.4
78.95916	5.2
88.94411	0.2
125.02446	0.5
140.01210	1.8
147.46347	0.2
152.99625	0.5
169.01363	0.4
196.03827	1.3
214.04848	2.9
279.23309	100.0
280.20657	0.4
280.23669	8.4
300.99954	0.2
461.25058	0.3
476.27911	7.7
476.34445	0.5
477.28091	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22183	0.2
56.79930	0.2
57.24339	0.2
59.01387	2.0
61.98838	2.6
65.99831	0.4
71.01392	0.7
73.02962	0.2
85.02957	0.3
88.98833	0.3
89.73557	0.2
93.03479	0.2
101.02480	0.4
109.02972	0.9
117.03497	0.5
119.05042	2.1
123.00932	0.3
125.02476	1.2
137.02458	3.3
138.03256	7.5
145.02983	0.8
147.04453	0.3
154.96211	0.2
163.04021	3.1
164.57211	0.2
167.02277	1.9
167.03525	0.4
168.03041	100.0
169.01503	1.3
169.03407	3.0
170.01860	0.2
179.03568	0.2
179.69727	0.2
191.03430	0.2
236.71667	0.2
252.53067	0.3
265.21823	0.2
276.02295	0.2
283.44128	0.2
300.99924	0.9
302.00183	0.4
330.08325	11.9
331.08664	0.8
352.40857	0.2
476.12033	9.8
477.12347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1416
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26814	0.4
59.01382	3.4
59.84998	0.4
61.98837	100.0
71.01395	1.8
72.99337	0.7
73.02959	0.6
85.02946	0.8
89.02468	0.7
93.98029	0.4
95.01382	1.1
97.02971	0.5
100.80137	0.4
101.02464	1.3
107.01393	2.5
108.02216	1.0
109.03010	0.6
111.00915	1.0
113.02472	0.8
117.03491	1.1
118.03838	0.5
119.05013	2.8
121.02931	0.7
123.00896	4.1
123.04548	1.2
124.01699	0.6
125.02467	9.4
126.02758	0.7
133.06602	0.7
135.04565	0.7
137.02460	0.6
138.01990	11.4
139.00392	2.1
140.01196	0.8
141.02072	0.4
145.02975	6.5
146.03310	2.5
149.06100	0.5
151.00409	3.0
153.01947	0.8
160.04111	0.9
161.04594	0.5
161.06136	0.8
163.00476	0.5
163.03995	2.7
165.01984	0.6
166.99919	1.1
168.00539	0.8
168.06787	0.5
169.01443	14.5
170.01836	0.8
177.01871	0.5
191.03595	0.5
193.01439	0.6
198.47379	0.4
205.05086	0.7
211.02524	1.4
225.36389	0.4
247.02536	0.7
265.07343	0.6
273.00488	1.3
275.02063	1.3
300.99890	3.9
302.00235	1.1
307.08304	1.7
308.08627	2.2
313.05630	0.7
339.21558	0.5
374.45416	0.5
375.77603	0.6
413.14575	29.4
414.14844	2.9
432.14102	1.0
439.03976	0.8
453.54407	1.0
475.53073	0.6
476.32245	0.8
477.10052	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	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06281	0.4
50.81287	0.4
53.12463	0.5
56.55732	0.4
59.01386	15.5
61.98835	3.2
63.02453	1.7
65.00372	1.0
65.12532	0.5
69.52758	3.2
70.99658	0.6
71.01387	4.2
72.99340	0.6
73.02984	0.7
77.96480	0.4
81.03557	0.6
83.01481	0.5
83.05077	0.5
85.03035	1.5
89.02528	2.0
93.03536	1.3
95.01445	1.1
97.84894	0.5
98.20683	0.8
98.95660	0.8
99.00932	0.9
99.92670	1.6
101.02471	2.5
104.05200	0.5
106.06660	1.0
107.01408	2.8
108.08207	2.5
113.02516	1.8
115.92048	2.4
116.92858	2.4
119.03607	0.8
119.05114	1.1
122.03818	0.6
122.06228	0.8
123.00968	1.7
123.04590	2.1
125.02471	6.5
126.02859	0.8
133.03032	0.7
137.02498	1.9
139.00555	0.4
143.05110	1.4
145.02989	2.8
147.04637	0.5
148.04070	5.5
148.05109	0.6
151.00430	1.1
152.03546	2.2
152.07280	1.2
160.04030	4.4
161.02510	2.0
161.04820	4.5
162.05705	0.6
163.00366	0.5
163.04037	0.8
165.07159	0.6
166.99899	0.5
167.03517	5.3
167.74896	0.5
169.01450	8.5
173.02585	0.7
175.02620	0.6
175.04073	1.3
181.06612	0.6
191.03561	2.0
193.03812	1.9
197.02824	1.2
201.01970	0.7
203.03551	0.8
205.03815	0.9
209.06117	1.8
218.04591	0.7
229.01495	0.6
233.10057	4.1
242.11781	0.6
245.00911	0.7
247.02492	1.6
248.03065	0.6
249.03900	0.6
253.05070	100.0
254.05417	5.8
257.00833	0.6
267.11472	0.7
269.12982	11.3
270.13229	0.9
271.06403	0.5
271.99695	0.6
273.00430	1.3
274.42508	0.5
275.01962	1.1
277.09006	3.1
285.03989	0.9
291.01422	1.1
295.06122	0.8
295.10892	8.9
295.13983	1.0
295.18307	0.5
296.11157	0.6
300.99869	5.9
302.00095	0.7
307.08011	0.5
313.00333	0.8
313.11932	10.5
314.12317	0.7
318.15726	0.5
323.07602	1.4
345.10794	0.9
355.12939	1.4
358.06561	0.5
373.07394	0.5
377.03125	0.6
415.23257	0.7
439.10245	1.2
453.03461	0.8
457.19601	0.8
475.16992	16.0
475.29279	1.8
476.17108	1.5
487.22672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1251
Annotation	Swertisin 8-methyl ether
Peak:m/z	Relative Intensity
55.01876	0.6
55.11775	0.4
59.01387	9.2
61.98828	1.8
66.31935	0.4
67.01904	1.2
68.99827	0.5
69.03452	1.1
70.30534	1.4
71.01389	6.0
72.99306	0.8
73.02952	2.2
79.01906	1.4
81.03454	0.5
81.23068	0.4
83.01418	0.9
85.02956	2.9
85.12268	0.4
87.00887	1.1
89.02451	2.2
93.03458	0.6
95.01396	1.8
97.02947	1.5
99.00872	0.9
101.02452	2.9
104.48582	0.4
107.01397	9.0
109.27816	0.4
111.00897	2.3
113.02461	3.2
119.03515	0.8
119.05025	1.0
121.02956	1.0
123.00900	13.3
123.04514	1.7
124.01689	2.3
125.02458	40.9
126.02779	0.8
127.00407	1.1
136.98814	1.5
137.02434	2.4
138.01945	0.7
139.00401	5.1
139.04018	8.1
140.01192	3.1
141.01944	1.5
145.02972	1.4
149.02507	0.5
151.00388	10.9
152.00722	0.5
160.04028	0.8
160.95686	1.2
161.02440	0.8
161.04643	1.8
161.06088	28.7
162.06377	1.3
163.03993	0.6
165.01953	0.6
166.99835	0.8
168.00644	4.9
169.01439	50.9
170.01791	1.3
173.02434	0.6
177.26483	0.4
179.03438	1.0
183.03027	0.9
183.06609	1.0
191.03450	0.8
195.02924	0.5
197.02634	0.7
211.02458	1.0
218.24899	0.5
219.02983	0.5
225.11333	0.4
229.01433	0.6
241.03371	0.6
247.02402	1.2
253.03618	0.8
253.14456	1.3
253.18103	0.8
257.00867	0.8
273.00369	1.3
275.01935	1.2
284.00012	0.5
285.04071	0.9
298.04733	2.1
300.99969	4.7
302.00290	0.6
312.99899	1.0
313.05573	9.9
314.06140	0.6
332.04355	0.4
415.23386	1.4
453.03564	0.5
475.12488	100.0
476.12830	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	475.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06281	0.4
50.81287	0.4
53.12463	0.5
56.55732	0.4
59.01386	15.5
61.98835	3.2
63.02453	1.7
65.00372	1.0
65.12532	0.5
69.52758	3.2
70.99658	0.6
71.01387	4.2
72.99340	0.6
73.02984	0.7
77.96480	0.4
81.03557	0.6
83.01481	0.5
83.05077	0.5
85.03035	1.5
89.02528	2.0
93.03536	1.3
95.01445	1.1
97.84894	0.5
98.20683	0.8
98.95660	0.8
99.00932	0.9
99.92670	1.6
101.02471	2.5
104.05200	0.5
106.06660	1.0
107.01408	2.8
108.08207	2.5
113.02516	1.8
115.92048	2.4
116.92858	2.4
119.03607	0.8
119.05114	1.1
122.03818	0.6
122.06228	0.8
123.00968	1.7
123.04590	2.1
125.02471	6.5
126.02859	0.8
133.03032	0.7
137.02498	1.9
139.00555	0.4
143.05110	1.4
145.02989	2.8
147.04637	0.5
148.04070	5.5
148.05109	0.6
151.00430	1.1
152.03546	2.2
152.07280	1.2
160.04030	4.4
161.02510	2.0
161.04820	4.5
162.05705	0.6
163.00366	0.5
163.04037	0.8
165.07159	0.6
166.99899	0.5
167.03517	5.3
167.74896	0.5
169.01450	8.5
173.02585	0.7
175.02620	0.6
175.04073	1.3
181.06612	0.6
191.03561	2.0
193.03812	1.9
197.02824	1.2
201.01970	0.7
203.03551	0.8
205.03815	0.9
209.06117	1.8
218.04591	0.7
229.01495	0.6
233.10057	4.1
242.11781	0.6
245.00911	0.7
247.02492	1.6
248.03065	0.6
249.03900	0.6
253.05070	100.0
254.05417	5.8
257.00833	0.6
267.11472	0.7
269.12982	11.3
270.13229	0.9
271.06403	0.5
271.99695	0.6
273.00430	1.3
274.42508	0.5
275.01962	1.1
277.09006	3.1
285.03989	0.9
291.01422	1.1
295.06122	0.8
295.10892	8.9
295.13983	1.0
295.18307	0.5
296.11157	0.6
300.99869	5.9
302.00095	0.7
307.08011	0.5
313.00333	0.8
313.11932	10.5
314.12317	0.7
318.15726	0.5
323.07602	1.4
345.10794	0.9
355.12939	1.4
358.06561	0.5
373.07394	0.5
377.03125	0.6
415.23257	0.7
439.10245	1.2
453.03461	0.8
457.19601	0.8
475.16992	16.0
475.29279	1.8
476.17108	1.5
487.22672	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0886
Annotation	5,7,2'-Trihydroxy-4',5'-methylenedioxyisoflavone 2'-O-glucoside
Peak:m/z	Relative Intensity
59.01383	3.1
61.98832	1.3
63.05969	0.2
65.00309	0.8
67.01878	0.4
68.99811	0.2
69.47556	1.4
71.01382	1.6
73.02928	0.5
77.17748	0.2
83.01373	0.3
83.89081	0.2
85.02934	0.8
89.00297	0.3
89.02401	0.3
91.01878	0.4
92.99812	0.2
93.03423	0.2
95.01384	0.3
97.55938	0.2
99.00837	0.2
101.02461	1.3
107.01386	0.6
109.02950	0.3
111.00842	0.7
113.02429	0.6
118.98135	0.2
119.05009	0.2
121.02921	0.3
122.06105	0.4
123.00851	0.6
125.02458	1.8
133.02954	5.9
135.00841	0.8
135.11768	0.3
135.32382	0.2
138.01979	1.1
145.02934	0.5
147.04488	0.2
149.02431	0.6
151.00363	0.7
159.08105	0.2
160.04062	0.2
161.04556	0.7
161.09698	0.5
163.03915	0.2
165.76143	0.2
167.03471	0.3
168.02942	0.3
169.01422	2.2
170.01791	0.2
171.04495	0.3
173.02383	0.4
173.34023	0.2
175.00426	1.3
175.03993	2.3
176.98300	1.4
177.01979	2.1
178.99876	9.5
179.10806	1.9
180.00146	0.3
183.06604	0.3
186.01923	0.7
187.43752	0.2
190.02673	0.4
191.03499	0.5
193.22333	0.2
195.42815	0.2
197.02626	0.3
198.03229	0.2
199.04030	2.0
201.01968	2.3
202.02515	0.2
211.04048	0.3
213.05641	0.3
215.03458	0.2
217.04887	0.4
218.04588	0.9
223.04080	0.6
227.03479	0.7
229.01328	0.2
239.03474	0.5
241.05116	0.6
243.03090	1.4
245.00850	0.3
247.02431	0.6
249.04016	0.3
255.02992	0.5
257.04556	0.2
262.41898	0.2
267.03067	0.6
269.00708	0.5
269.10373	1.0
273.00500	0.4
275.02216	0.4
284.03259	1.2
285.04013	1.9
291.11450	0.3
300.99942	1.8
309.04080	0.3
311.01993	6.6
312.02722	1.9
312.09738	0.3
313.03555	100.0
314.03909	7.0
355.04303	0.2
395.19934	0.3
400.03751	0.2
415.23618	0.3
420.38907	0.2
439.18796	0.2
457.19803	0.7
474.33176	0.7
475.08923	6.9
475.20465	2.1
476.09241	0.7
476.18774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33590	0.5
66.95065	0.5
69.51966	3.5
71.01363	0.7
71.06094	0.5
107.01393	1.1
120.47900	0.5
123.04494	0.6
125.02469	3.2
136.01666	0.7
144.02094	0.6
145.02933	1.1
147.04530	0.6
156.02205	1.6
160.01674	0.9
161.02440	1.2
163.00406	0.6
169.01454	4.0
169.02757	0.8
184.01601	2.3
185.02367	1.5
187.00333	0.5
194.48918	0.6
200.01176	2.2
201.01883	1.0
203.03459	0.6
209.00995	1.0
212.01112	1.6
213.01945	2.6
214.99910	0.6
216.00526	0.7
226.99913	1.7
228.00668	1.8
229.01392	1.5
230.99416	0.7
240.00652	4.1
241.01320	2.1
254.99359	3.9
256.00165	1.2
257.00845	1.9
268.00156	0.9
275.01981	1.1
282.98907	4.8
283.99640	7.2
285.00406	12.8
300.99802	3.8
302.00250	0.7
310.98401	2.5
311.99142	19.2
312.99908	100.0
314.00266	7.0
323.07697	1.3
432.95859	0.5
433.01883	0.5
453.03714	1.4
475.05176	61.5
475.54834	0.5
476.05511	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	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72184	0.2
59.01390	1.2
70.61311	0.4
71.01389	0.2
78.95911	8.0
81.66542	0.2
122.00076	0.3
125.02448	0.6
140.01190	2.3
152.99590	0.5
166.99791	0.3
169.01407	0.9
194.58089	0.2
196.03780	1.8
214.04875	3.8
233.22913	0.3
247.02585	0.3
259.20605	0.6
275.02112	0.3
277.21735	100.0
278.22083	8.4
300.99902	0.9
340.75259	0.3
473.01712	0.2
474.26270	8.4
474.33224	5.7
475.26523	1.0
475.34076	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2629
Annotation	Unknow
Peak:m/z	Relative Intensity
57.48222	0.2
58.57146	0.3
59.01381	1.6
69.03455	0.3
70.31604	0.3
70.31956	1.0
72.33268	0.3
75.59386	0.3
78.95911	30.2
96.96960	0.5
98.19926	0.3
104.97443	0.3
107.01501	0.3
117.00598	0.3
122.00143	1.4
122.98451	0.3
125.02451	1.4
134.98563	0.3
140.01207	7.1
146.13812	0.3
152.99611	2.4
169.01427	1.7
171.00633	1.1
175.10364	0.3
196.03812	13.1
197.04118	0.3
214.04890	3.2
229.01421	0.3
233.22827	0.5
249.04257	0.4
259.20569	0.4
273.00610	0.4
277.21738	100.0
278.22086	8.0
300.99899	1.6
334.53690	0.3
405.14240	0.3
452.03241	0.3
474.26340	28.8
475.26660	3.3
475.33914	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.364
Annotation	CHEBI:66216
Peak:m/z	Relative Intensity
53.08746	0.3
69.40083	3.2
71.05032	1.9
71.38886	0.4
79.57281	0.4
98.20617	0.6
175.78598	0.4
195.64775	0.4
203.83148	0.4
222.40746	0.4
224.24826	0.4
409.34726	0.9
411.32745	1.0
413.34323	5.2
473.36420	100.0
474.36768	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	473.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.0
59.01391	2.4
70.48402	0.4
71.57275	0.5
89.12990	0.4
94.68147	0.4
105.02780	0.5
111.00925	0.6
111.65542	0.4
125.02419	0.5
128.58197	0.4
148.84583	0.5
169.01491	0.9
192.48952	0.4
207.15393	0.5
221.15514	0.6
235.54881	0.5
413.30807	1.9
415.32370	0.9
425.34567	0.8
427.35953	0.6
429.34012	3.9
455.31281	0.9
473.36722	100.0
474.37296	11.2
474.55716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38185	0.4
57.03444	1.0
59.01376	2.1
66.29467	0.4
70.06966	0.4
71.01393	0.5
73.02950	1.0
83.05019	0.5
84.96548	0.6
88.02309	0.5
99.78911	0.4
107.94410	0.4
125.02424	0.7
130.77101	0.4
150.04245	0.4
163.61504	0.4
166.99843	0.5
169.01421	0.9
181.02925	0.4
181.44986	0.5
189.12854	1.1
191.14363	1.0
245.08253	1.2
299.99237	1.0
300.99805	0.6
343.26389	1.3
407.29764	0.8
409.31021	0.9
427.32199	0.6
439.32318	3.3
440.32480	0.4
455.31677	2.7
473.32681	100.0
474.33075	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	473.3276
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
59.01371	0.3
69.37141	1.5
81.01609	0.2
137.64580	0.2
165.98201	0.2
346.36798	0.2
395.29672	0.5
455.31259	0.2
473.32736	100.0
474.33099	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	473.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63741	0.3
57.77853	0.4
59.01382	1.5
66.90961	0.3
70.04449	0.3
70.71258	0.9
85.12943	0.3
90.57978	0.3
111.08127	0.3
151.25345	0.3
162.83936	0.9
169.01408	0.6
285.51932	0.3
347.14236	0.3
375.73590	0.3
405.31567	0.4
411.33176	0.6
413.27136	0.6
425.26788	0.5
455.31583	0.9
473.32816	100.0
474.33286	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	473.3276
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
57.07030	0.4
59.01389	3.7
66.60811	0.4
67.08001	0.4
69.96461	0.4
70.06797	1.8
70.07146	0.4
92.57764	0.4
98.29883	0.4
111.84241	0.4
126.32143	0.4
130.67625	0.4
134.33340	0.4
187.43613	0.4
289.59909	0.4
318.23950	0.5
321.31363	0.4
427.35706	0.9
473.32333	100.0
474.32629	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92919	1.2
52.62619	1.4
58.48527	1.4
59.01112	2.2
59.01388	35.8
61.98845	10.4
64.13293	1.7
71.01392	9.4
73.02949	2.0
85.02953	3.3
89.02462	7.6
99.00912	1.8
101.02460	8.3
113.02463	5.4
119.03519	3.8
121.02938	2.1
122.03722	1.7
125.02388	2.0
135.04556	3.0
147.65929	1.4
156.01184	1.4
161.04573	2.9
167.14435	3.2
179.03471	1.8
180.03801	1.9
223.20543	1.8
249.18654	8.1
251.16489	7.4
267.19675	95.0
268.20035	6.0
275.16553	11.3
293.17624	47.9
293.21008	1.9
294.17917	4.1
311.18692	100.0
312.18927	6.0
341.19754	2.2
353.19504	5.3
382.17950	1.7
430.31198	1.6
473.23108	10.5
473.32965	24.5
474.24060	2.0
474.32938	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	473.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.2
56.29681	1.1
57.03447	1.1
58.00587	3.0
59.01387	52.1
61.98845	6.2
69.29658	1.4
69.30069	9.3
71.01395	26.5
72.99308	4.2
73.02925	1.9
83.01384	1.9
85.02966	5.5
87.00854	1.0
89.02454	21.4
95.01385	2.5
98.19943	2.4
101.02453	15.8
106.02954	1.2
109.06529	1.0
113.02478	8.9
119.03532	8.4
125.02469	1.5
143.03485	1.4
149.88719	1.1
169.01440	1.1
181.68030	1.1
183.13933	7.0
205.08273	1.0
211.13438	2.0
239.12036	1.1
250.43637	1.0
251.16467	4.0
275.20120	1.6
293.21243	20.7
299.98984	1.5
311.22144	3.5
399.14044	1.2
441.49997	1.2
455.31900	2.5
473.27518	100.0
473.32767	5.0
474.27890	10.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	15.3
61.98832	5.4
71.01391	4.1
71.57583	1.6
73.02943	1.5
78.95911	52.0
79.95745	3.6
83.01414	1.9
85.02962	1.6
89.02453	3.6
96.96023	100.0
96.96976	98.8
101.02459	4.2
107.01429	1.9
113.02468	1.5
123.00914	1.8
124.01669	2.0
124.13396	1.6
125.02428	8.5
126.29600	1.2
135.08264	1.4
138.01974	4.0
138.37598	1.4
145.02980	4.0
152.03549	1.6
155.99562	1.5
161.04695	1.7
169.01517	8.6
179.10825	1.5
183.53101	1.4
236.90611	1.3
240.04376	1.8
251.13022	1.4
268.03784	9.4
269.04593	2.3
275.01678	2.1
300.99872	4.7
473.10889	5.6
473.20126	7.7
473.33472	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1452
Annotation	Scrophuloside A
Peak:m/z	Relative Intensity
56.70214	0.4
59.01388	18.0
61.98843	3.2
69.55577	3.1
71.01385	5.0
73.02943	1.4
75.00876	0.4
83.01379	0.8
85.02959	1.4
89.02456	2.5
93.03466	4.7
94.72887	0.4
95.01399	3.0
98.19924	0.9
99.00916	0.6
101.02465	3.6
107.01465	0.7
111.00915	0.6
113.02439	2.8
117.03488	23.1
118.03809	1.0
119.03550	1.2
119.05048	11.9
121.02989	1.0
121.06622	3.9
122.06084	0.4
123.00892	2.3
123.04554	0.5
125.02457	5.9
132.22342	0.4
135.11882	0.6
137.02455	0.6
139.00407	2.0
143.03505	0.5
144.04602	0.5
145.02977	100.0
146.03329	4.8
147.04523	0.5
151.00412	1.5
151.04027	0.8
159.04674	0.6
161.04610	1.1
161.06050	0.6
163.00417	1.8
163.04051	10.2
165.01979	2.1
165.05598	23.1
166.06079	0.5
168.00714	0.8
169.01437	5.3
179.10774	2.1
187.04099	1.0
189.02208	0.5
198.12352	0.4
204.06795	1.1
205.05032	0.6
209.00963	0.6
223.11745	0.8
229.01431	0.4
245.00880	0.5
249.04045	0.6
267.10886	1.3
275.02078	0.5
293.47601	0.6
300.99957	4.2
301.05728	0.7
301.08954	0.7
307.08264	32.1
308.08734	1.9
327.07028	0.7
370.14636	0.9
385.16934	3.6
429.19623	5.1
430.19833	0.6
435.11856	0.5
455.13620	0.9
459.04163	1.2
473.03854	1.2
473.14667	34.0
473.19983	7.3
474.14737	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	473.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96515	0.5
59.01386	0.9
63.99060	0.6
65.39532	0.6
70.01820	2.2
71.21411	0.5
93.03466	1.7
95.01395	0.7
109.02975	1.0
111.00883	0.9
124.01682	2.2
125.02438	4.0
137.02429	4.4
138.03241	42.2
139.00323	0.9
139.03477	1.1
149.02435	1.2
150.03256	3.3
151.03934	1.4
151.07669	4.5
152.01157	1.4
153.01973	1.0
161.06076	1.2
163.03960	1.3
164.04839	3.1
166.99895	0.7
169.01450	3.5
177.05655	1.4
179.07153	100.0
180.07504	4.5
193.01468	2.0
205.05074	4.8
223.06128	37.8
224.06458	1.7
249.04012	4.5
267.05109	53.1
268.05450	2.7
271.04587	0.9
293.03091	3.2
300.99963	1.0
311.04132	4.9
313.05734	1.4
370.14175	0.6
429.10367	25.8
430.10626	2.0
455.08661	3.5
473.09302	19.1
474.09695	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	473.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.0
63.25927	0.5
70.29262	1.2
70.29655	0.8
70.61558	0.5
79.01870	0.6
81.03491	0.6
96.96057	0.9
101.11486	0.5
101.56318	0.5
108.02138	0.6
109.03010	1.0
111.00909	1.8
123.00849	0.9
124.01689	2.1
125.02475	3.7
133.06639	0.7
137.02464	3.8
138.03244	41.5
139.00352	0.8
139.03590	1.2
149.02498	0.5
150.03281	3.2
151.00407	0.6
151.03990	1.0
151.07642	2.7
152.01044	1.2
153.01907	0.7
161.02629	0.6
161.06122	0.5
163.04042	1.2
164.04825	3.8
166.99916	0.6
169.01434	3.6
177.05635	1.4
179.07153	100.0
179.91266	0.6
180.07530	4.8
181.01428	1.7
193.01416	1.7
193.20399	0.6
203.03487	0.8
205.05081	5.9
207.88522	0.5
211.02640	0.8
223.06137	34.0
224.06505	2.7
247.81180	0.5
249.04068	3.1
267.05124	38.3
268.05426	2.6
271.04565	0.6
289.35928	0.7
293.03079	6.1
301.00009	1.5
311.04160	8.7
312.04721	0.5
345.76877	0.6
385.11389	0.6
400.63245	0.5
429.10391	21.1
429.16275	1.1
430.10590	2.2
455.08209	6.6
473.09259	24.5
474.09888	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	473.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.68443	0.5
59.01382	1.1
62.00451	0.5
70.70346	0.7
70.70686	0.6
71.01396	1.2
74.59679	0.4
85.02968	0.7
89.02488	0.8
96.96036	1.2
97.29914	0.5
101.02448	0.6
109.02949	0.5
111.00916	1.1
113.02464	0.7
117.07108	0.6
119.03489	0.6
119.05113	0.7
121.02947	1.4
121.06664	0.6
124.01643	1.3
125.02460	0.8
125.47580	0.5
133.06645	1.8
135.04568	0.6
137.02438	3.3
138.03249	6.6
138.07314	0.5
139.03806	0.4
143.05013	0.6
145.03003	0.5
146.03786	2.4
149.06116	1.1
149.20734	0.5
150.03250	1.1
151.04121	0.8
151.07669	16.9
152.08054	0.9
159.04536	1.7
161.06096	7.3
163.04002	3.5
164.04808	2.6
167.81772	0.5
169.01439	1.1
175.33986	0.5
177.05606	2.6
178.06381	4.3
179.07166	100.0
180.07486	5.0
187.04031	2.0
189.02039	0.6
190.02711	0.9
203.03572	1.1
204.04314	6.5
205.05075	8.5
218.02211	0.8
223.06177	5.9
248.03378	2.3
249.04094	3.2
267.05099	3.4
293.03040	1.7
341.12390	8.7
342.12799	0.9
367.10522	1.4
385.11484	8.2
386.11807	1.1
411.09326	8.6
429.10474	2.1
455.08334	2.5
459.93390	0.5
473.09378	11.3
474.09821	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Odoratone
Peak:m/z	Relative Intensity
59.01377	1.4
113.63296	0.5
135.42987	0.4
205.49025	0.4
207.80273	0.4
211.56381	0.5
243.56783	0.5
377.35748	0.5
381.27719	0.6
407.29803	0.5
409.31140	0.7
423.32617	1.3
425.30273	0.6
427.32159	2.4
453.30099	0.6
471.35516	100.0
472.35880	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	472.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32818	0.8
57.65729	0.9
59.01379	5.9
61.98838	4.8
65.00333	1.0
67.01904	2.0
68.99805	1.1
69.22207	0.8
69.22537	8.9
69.69717	0.9
71.01396	13.5
72.99322	2.2
73.02954	1.4
75.00876	1.4
75.33216	0.8
75.60136	0.9
83.01398	2.2
85.02974	1.9
87.00895	1.9
89.02459	2.3
93.03469	18.4
95.01404	2.6
97.02928	1.3
101.02468	1.3
107.01416	4.2
110.00126	1.6
111.00909	8.2
113.02447	1.6
117.03473	6.0
119.05038	3.4
121.02981	12.4
123.00906	6.4
124.01678	5.8
125.02459	31.2
126.02792	2.0
127.00397	3.7
134.16714	1.0
136.98822	6.8
137.02437	1.4
139.00383	12.2
140.01193	16.9
145.02962	21.7
147.04514	1.2
150.03236	0.9
151.00385	3.9
154.99759	1.4
159.06680	2.2
161.02316	1.2
163.04041	1.8
165.01947	12.6
166.99907	2.4
167.99207	1.7
168.00653	38.5
169.01447	45.8
170.01848	2.6
170.74858	0.9
181.01479	2.0
182.02179	1.5
193.01440	1.9
194.02094	0.9
205.01385	1.8
211.02492	36.7
212.02870	1.4
223.02557	1.7
241.03619	2.7
249.04066	1.3
270.03958	1.6
271.04617	37.9
272.05045	1.5
283.04617	2.4
293.10529	1.3
300.99963	2.7
307.08237	2.2
313.05704	1.9
329.05026	2.4
331.06754	3.9
472.18359	100.0
473.11285	4.3
473.18069	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	471.3483
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
59.01380	0.6
70.79093	0.6
70.79411	0.4
75.55843	0.4
195.16611	0.5
198.83113	0.4
232.16435	0.4
384.37668	0.4
397.31143	0.5
407.33173	1.7
423.32971	0.5
441.34155	0.8
451.32080	0.6
453.33926	0.9
471.34827	100.0
472.35226	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	471.3484
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
59.50672	0.3
70.62783	0.4
70.63100	0.5
73.53208	0.3
90.13591	0.3
92.87016	0.3
98.20034	0.4
113.77563	0.4
209.20772	0.3
407.33179	0.7
409.34686	0.5
425.34802	0.5
427.35812	11.7
428.36038	1.5
453.33786	8.4
454.34006	1.4
471.34805	100.0
472.35168	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	471.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.7
62.84098	0.3
70.07739	1.0
74.98135	0.3
90.55296	0.2
98.19887	0.3
126.47813	0.3
138.52441	0.2
189.44742	0.3
256.63867	0.3
338.66745	0.3
407.33221	1.3
425.34195	1.2
427.35840	21.8
428.36292	3.0
446.92764	0.3
453.33771	3.0
454.33835	0.3
471.34821	100.0
472.35199	12.3
472.42111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3484
Annotation	triptocallic acid D
Peak:m/z	Relative Intensity
59.01389	1.5
60.99313	9.4
69.03479	11.9
70.87268	2.6
71.05035	2.4
80.02707	2.1
92.49956	0.9
105.12606	0.8
105.68610	0.9
112.17284	0.8
137.09750	2.5
144.42438	1.1
149.09760	1.1
164.15146	0.9
189.00189	1.0
196.65570	1.0
218.17740	0.9
280.08231	1.0
359.29575	1.1
375.26828	2.4
377.28497	2.7
391.30154	14.1
392.30374	2.1
393.31693	3.9
399.28799	2.2
407.33234	100.0
408.33502	12.7
409.34854	18.4
410.35196	2.3
411.32849	1.7
421.31345	1.3
423.32697	4.6
427.36166	9.3
437.30545	2.8
441.33813	8.5
442.34149	1.1
453.34055	15.8
454.34167	2.4
471.35495	70.9
472.35748	9.1
485.32883	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	471.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08644	0.5
62.61057	0.5
68.18498	0.5
71.02750	1.1
71.05025	0.7
97.06600	4.2
112.30621	0.5
163.30798	0.5
169.44435	0.5
373.25400	0.7
389.28793	0.8
391.30185	4.4
405.31598	4.9
406.32288	0.8
407.33203	10.6
408.33508	0.9
423.29050	0.9
441.33783	2.3
451.32184	11.3
452.32629	1.8
453.33762	47.4
454.34045	5.8
471.34842	100.0
472.35233	14.7
472.40186	0.3
497.32562	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17554	0.3
62.09790	0.4
70.88609	1.1
131.86551	0.3
152.04575	0.3
194.07233	0.3
244.90230	0.5
377.84406	0.3
380.26566	0.4
406.55847	0.4
471.34824	100.0
472.35141	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	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.30985	0.3
58.02158	0.4
66.34856	0.4
68.57095	0.4
85.82313	0.4
91.22508	0.4
98.20632	1.1
99.62294	0.4
100.94084	0.3
103.16719	0.5
154.79733	0.5
178.94559	0.3
213.33061	0.3
261.44952	0.4
263.46594	0.3
280.34561	0.4
284.00378	0.5
338.93198	0.4
342.36057	0.4
393.31595	0.7
423.32816	1.3
428.62518	0.4
450.30136	0.4
471.34818	100.0
472.35193	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75040	0.4
57.82050	0.3
59.28739	0.3
69.74286	1.3
69.74697	0.7
76.23002	0.3
89.07626	0.3
96.11521	0.4
102.17059	0.3
116.42725	0.3
141.42972	0.3
165.82236	0.4
175.73186	0.3
209.42325	0.3
311.02853	0.4
323.32605	0.3
420.41919	0.4
471.34827	100.0
472.35187	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	471.3485
Annotation	HEDERAGENIN
Peak:m/z	Relative Intensity
57.03449	2.3
59.01379	0.6
64.87057	0.3
69.20372	1.8
69.20793	2.0
71.05040	0.5
85.44089	0.4
159.29858	0.4
165.55949	0.4
180.61200	0.4
185.53310	0.4
319.27509	0.4
423.25436	0.5
453.30127	0.7
471.35193	100.0
472.35443	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	471.3484
Annotation	Unknow
Peak:m/z	Relative Intensity
68.49144	0.5
70.87989	1.6
71.04965	1.0
72.80797	0.6
73.24197	0.5
76.52464	0.5
90.79337	0.5
94.28075	0.5
97.06493	5.2
119.38027	0.6
157.33768	0.5
215.39653	0.6
300.30167	0.6
341.39020	0.6
374.25772	0.7
375.27176	0.7
389.28568	1.4
391.30008	5.8
392.30453	0.8
405.31641	7.1
406.32288	0.8
407.33234	14.9
408.33594	1.9
423.29263	1.3
438.21957	0.7
439.32104	1.2
441.33749	4.2
451.32169	14.6
452.32425	1.7
453.33777	79.6
454.34088	10.5
471.34848	100.0
472.35208	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	471.3484
Annotation	Odoratone
Peak:m/z	Relative Intensity
52.22331	0.3
52.81383	0.3
58.00603	0.5
61.43493	0.3
62.24252	0.3
69.39973	0.6
69.40386	1.6
71.05005	0.3
97.04769	0.3
190.70720	0.3
195.37585	0.3
198.27536	0.3
407.33130	3.2
408.33624	0.4
423.29074	0.5
439.32205	1.5
451.32098	0.7
453.34082	1.8
454.34082	0.6
469.33191	3.3
470.33893	0.4
471.34836	100.0
472.35172	12.8
472.42102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	3.6
59.01387	76.4
61.98827	14.3
68.64005	3.6
69.25211	40.5
71.01389	48.7
73.02943	13.4
73.65181	4.2
75.63116	4.0
83.01414	4.9
85.02963	10.6
88.69411	4.2
89.02453	62.4
97.02929	4.5
99.00885	16.1
101.02472	30.7
113.02453	15.4
119.03512	11.8
125.02452	4.6
131.03497	10.5
134.35255	4.0
149.04576	38.0
161.04597	8.7
171.10475	4.3
191.05717	6.2
209.11821	7.4
228.57077	3.9
233.06660	4.3
247.58452	7.6
249.14943	15.9
284.08511	4.8
323.17224	3.9
339.18185	9.1
365.62823	5.6
435.22412	100.0
436.22617	12.5
455.14850	5.9
455.64850	4.9
471.20142	51.2
471.26062	15.1
471.31412	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	471.312
Annotation	Comnostin D
Peak:m/z	Relative Intensity
59.01369	0.6
59.06515	0.2
65.18375	0.2
69.41325	1.7
73.02939	0.7
121.02972	1.4
142.34517	0.2
155.16911	0.3
219.13737	0.4
313.07172	0.7
325.85443	0.2
326.17841	0.2
363.26877	0.3
379.30408	0.2
393.27802	0.6
395.29398	0.4
427.32373	0.3
453.29855	0.5
471.30972	100.0
472.31314	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	471.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.8
69.25159	2.9
93.06512	0.3
98.19809	0.5
125.02509	0.3
125.09024	0.4
158.68645	0.3
186.68555	0.3
194.33058	0.4
309.20770	0.4
363.27109	0.4
425.30469	0.4
427.32370	0.4
453.29898	0.4
471.31152	100.0
472.31512	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	471.3119
Annotation	Kuguacin Q
Peak:m/z	Relative Intensity
59.01348	0.7
68.57976	0.2
70.57513	0.6
71.05009	0.5
97.06568	0.5
98.20554	0.3
125.82504	0.2
272.00809	0.2
409.31122	0.3
423.28372	0.3
425.32925	0.3
439.32367	0.6
449.99670	0.3
453.33951	0.4
462.05298	0.3
469.32782	0.9
471.30780	100.0
472.31165	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	471.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93014	0.7
59.01389	9.4
61.98837	4.1
64.12543	0.6
71.01394	4.1
71.57809	0.6
73.02958	1.5
85.02966	1.1
89.02482	3.3
96.96047	1.1
101.02444	2.7
113.02458	2.3
117.03480	26.7
119.05035	12.9
121.02997	1.0
123.00900	0.9
125.02453	1.6
132.66354	0.7
133.06596	1.4
138.51323	0.7
145.02968	100.0
146.03319	3.1
149.04576	2.2
155.10828	1.7
159.04497	1.0
161.02621	0.7
161.04681	1.3
161.06099	4.6
161.13318	1.3
163.04033	15.1
169.01450	1.6
179.10773	1.5
187.04021	4.5
205.05064	3.3
235.06221	2.8
246.10417	0.7
249.15044	1.4
265.07196	4.8
271.04559	1.0
300.68375	0.7
307.08273	13.6
308.08530	1.0
325.09393	1.5
377.69907	0.9
411.10602	0.9
411.20261	0.9
433.20810	2.1
435.21188	0.8
437.45471	0.8
471.13965	4.7
471.19064	5.0
472.13071	1.3
472.22214	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	471.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34631	0.3
57.47705	0.4
57.93331	0.4
59.01389	3.2
61.98835	1.5
68.02547	0.8
71.01385	2.1
71.57960	0.6
73.02960	0.8
83.01421	0.5
85.02958	1.0
89.02435	0.7
93.03486	0.9
101.02457	1.3
113.02462	0.8
117.03479	14.7
118.03769	0.4
119.05042	100.0
120.05363	3.8
123.00910	0.4
125.02471	1.1
133.02986	2.7
134.03339	1.0
135.04533	0.8
135.08194	1.4
145.02968	61.2
146.03331	2.2
147.04533	0.4
151.36472	0.4
161.02454	5.9
161.06100	0.8
161.09677	0.4
162.02827	3.5
163.03003	2.1
163.04034	53.0
164.03433	1.3
164.04474	1.1
169.01508	0.6
172.76405	0.4
179.03467	0.6
179.10785	0.6
187.03989	0.5
203.10854	0.5
211.02660	0.5
221.11858	0.5
247.06200	0.6
248.33205	0.4
265.09525	0.6
271.04630	1.3
306.17737	0.3
307.08249	41.0
308.08667	2.7
471.13046	13.1
471.21149	7.4
472.13440	2.1
472.21838	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.1
61.98838	2.7
65.42426	0.2
67.75727	0.3
68.02553	0.6
69.83800	1.3
71.01405	1.6
83.05072	0.2
85.02982	0.7
89.02481	0.7
91.05572	0.3
92.77619	0.3
95.01408	0.3
101.02475	0.9
101.06100	0.3
102.10776	0.2
107.05062	1.0
109.02978	0.2
113.02458	0.4
115.07685	0.5
117.03505	0.7
119.03542	0.4
119.05029	1.4
122.06155	0.4
123.00916	0.3
125.02449	0.7
133.02945	0.3
134.03763	3.8
135.04543	100.0
136.04886	3.2
140.29915	0.3
145.02997	1.1
153.01862	0.3
161.02405	0.4
161.04579	0.3
163.04073	0.5
163.11273	0.6
169.01430	0.7
179.03516	99.4
180.03859	4.0
181.12410	0.7
186.30672	0.2
211.02470	0.6
249.15002	3.2
258.92273	0.3
271.04617	1.0
273.20715	0.3
307.08182	0.4
308.08243	0.3
340.99484	0.3
411.19937	0.4
471.22455	3.2
472.22491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	6.1
61.98838	2.7
65.42426	0.2
67.75727	0.3
68.02553	0.6
69.83800	1.3
71.01405	1.6
83.05072	0.2
85.02982	0.7
89.02481	0.7
91.05572	0.3
92.77619	0.3
95.01408	0.3
101.02475	0.9
101.06100	0.3
102.10776	0.2
107.05062	1.0
109.02978	0.2
113.02458	0.4
115.07685	0.5
117.03505	0.7
119.03542	0.4
119.05029	1.4
122.06155	0.4
123.00916	0.3
125.02449	0.7
133.02945	0.3
134.03763	3.8
135.04543	100.0
136.04886	3.2
140.29915	0.3
145.02997	1.1
153.01862	0.3
161.02405	0.4
161.04579	0.3
163.04073	0.5
163.11273	0.6
169.01430	0.7
179.03516	99.4
180.03859	4.0
181.12410	0.7
186.30672	0.2
211.02470	0.6
249.15002	3.2
258.92273	0.3
271.04617	1.0
273.20715	0.3
307.08182	0.4
308.08243	0.3
340.99484	0.3
411.19937	0.4
471.22455	3.2
472.22491	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	1.3
59.01385	19.2
61.54709	1.0
61.98848	5.4
64.21954	1.0
64.94861	1.1
69.03436	1.2
71.01383	10.0
71.56442	1.2
72.44672	1.1
73.02938	2.4
79.01894	2.1
83.01391	1.0
85.02956	2.9
89.02457	7.7
95.01379	2.7
96.96032	1.4
101.02464	7.8
105.03447	1.3
107.01421	5.5
111.00890	3.3
113.02433	3.4
119.03490	2.3
119.05040	1.2
122.06131	3.0
123.00904	18.6
124.01691	1.5
125.02473	27.0
126.02819	2.0
128.98126	1.0
135.04486	1.1
136.98877	1.3
139.00369	5.2
139.07649	4.0
140.01140	3.1
141.01962	1.1
145.02943	1.2
149.02448	2.0
151.00414	11.3
153.01964	1.4
157.08698	3.6
166.40097	1.0
168.00639	3.4
169.01456	36.8
170.01744	2.0
171.10194	1.6
179.03439	1.4
193.01454	4.5
211.02559	5.4
211.55026	1.2
229.09850	1.4
249.11308	1.3
260.53134	1.1
271.04593	3.4
277.11929	4.7
300.99866	2.3
313.05750	1.9
319.14035	12.3
367.47015	1.1
372.10959	1.1
376.84235	1.1
427.15887	2.3
453.14197	2.9
471.15021	100.0
472.15305	10.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17927	1.3
59.01386	100.0
61.98826	4.6
69.03452	3.4
71.01392	3.4
72.70932	1.6
78.95918	4.1
82.95428	3.7
83.01356	1.4
85.02966	1.8
87.00909	1.5
89.02433	3.1
95.01377	3.4
96.96027	24.9
96.96989	3.4
97.02964	12.3
98.19904	2.7
99.00883	1.2
101.02434	3.4
107.01395	3.6
109.02972	3.0
111.00883	3.9
113.02444	2.5
117.03500	1.5
123.00916	9.6
125.02459	43.2
125.27116	1.5
126.02798	2.0
130.05338	1.2
137.02472	5.5
139.00372	3.4
140.01189	2.0
141.01965	27.1
145.02936	3.1
145.08676	1.3
147.04446	1.7
151.00391	5.0
157.05109	2.2
163.00385	2.3
163.04016	2.5
165.01917	2.0
165.07547	1.3
168.00618	3.1
169.01457	38.6
170.01778	4.7
181.01439	10.2
191.03506	2.8
203.03424	1.5
208.80655	1.3
211.02487	4.2
219.03073	1.4
247.02367	3.1
248.02721	1.3
271.04544	7.0
274.00839	1.6
275.02127	1.7
300.99915	8.7
302.00204	2.8
310.04382	1.3
313.05542	1.8
325.11478	3.9
331.06824	3.2
371.17053	1.5
423.14221	1.4
427.12451	5.7
429.58704	1.5
471.01938	5.2
471.15274	43.3
471.34744	2.2
472.15701	2.3
489.70502	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	471.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59468	0.3
53.28696	0.3
59.01397	0.7
71.01392	0.7
71.04330	0.5
74.10836	0.3
85.02946	0.6
85.95325	0.2
86.61133	0.3
91.05544	0.3
93.03448	0.6
94.36843	0.3
98.59001	0.3
101.02417	0.4
113.02456	0.5
117.03481	17.1
118.03793	1.0
119.05038	100.0
120.05363	3.3
123.00883	0.3
125.02462	0.6
145.02965	61.8
146.03316	2.4
147.04482	0.3
159.04474	0.4
161.06081	0.5
163.04024	85.4
164.04362	3.1
169.01413	0.9
187.04008	0.5
202.87823	0.3
205.04971	0.6
247.06192	0.3
265.07184	0.4
307.08252	33.6
308.08627	2.5
425.60324	0.3
471.12970	17.4
471.18411	0.7
472.13342	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63119	0.3
59.01392	0.9
60.96196	0.3
69.31048	2.6
71.01383	1.1
73.02969	0.3
85.02971	0.8
93.03468	1.0
101.02453	0.5
107.53838	0.3
107.64867	0.3
110.38808	0.3
113.02502	0.3
117.03480	13.8
118.03822	0.5
119.05036	100.0
120.05354	3.6
121.02992	0.4
125.02411	0.5
145.02963	61.4
146.03293	2.1
147.04631	0.4
161.06082	0.8
163.04019	54.7
164.04355	2.0
169.01332	0.5
187.03949	0.7
205.05067	0.6
231.65570	0.3
247.06210	0.7
265.07199	0.4
273.07797	0.4
277.79391	0.3
307.08240	38.6
308.08545	2.6
471.12930	13.7
471.18753	1.3
472.13385	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	471.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49115	0.3
58.31357	0.3
69.81905	1.6
71.01415	0.4
74.01299	0.3
79.95750	2.8
96.96023	100.0
98.20630	0.4
101.02486	0.3
102.11573	0.3
102.56385	0.3
107.01414	0.5
115.69530	0.3
119.05097	0.3
123.00905	0.9
125.02468	3.5
125.17741	0.4
126.02838	0.3
145.02968	0.6
146.21335	0.3
151.00317	0.5
161.02533	0.5
163.04050	0.5
165.01912	0.4
169.01462	3.7
191.03488	0.4
195.06584	0.4
265.03680	0.5
275.01947	0.7
275.47095	0.3
300.99902	1.8
302.00082	1.1
373.11365	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	471.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16945	0.8
57.03457	1.4
59.01391	9.1
60.69845	0.9
61.98829	4.0
63.94752	0.9
69.26913	2.5
69.27332	6.1
71.01395	4.5
81.03469	5.5
83.01408	3.5
85.02955	0.9
89.02467	2.4
93.03467	5.4
99.04466	0.8
101.02438	2.3
107.01389	2.3
111.00967	1.3
113.02479	1.3
117.03485	16.2
117.99265	0.8
119.05045	100.0
120.05397	3.5
121.02971	1.7
123.00925	4.2
123.04549	18.5
125.02470	24.5
125.03336	1.8
126.02821	1.1
135.04489	1.1
137.02425	1.5
145.02974	56.1
146.03329	2.5
149.02452	1.1
151.00394	3.8
153.01920	1.2
161.06186	0.9
163.04036	76.1
164.04385	2.9
167.03517	61.2
168.00673	1.2
168.03851	3.1
169.01447	21.8
179.03548	5.3
189.05597	1.4
191.03369	1.1
211.02562	1.5
266.08099	0.8
267.32568	0.9
271.04663	2.2
273.07715	92.3
274.08173	5.9
307.08282	29.4
308.08701	1.3
313.05679	14.0
388.00220	0.9
433.84940	1.4
435.12985	11.5
436.13458	1.0
471.12640	17.3
471.18796	7.3
472.13364	1.6
486.65274	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98555	0.6
55.70910	0.6
59.01378	1.0
59.86005	0.6
61.98857	0.6
66.07199	0.6
70.29187	1.8
70.29583	0.4
71.01392	0.9
78.95915	0.6
79.05530	1.7
96.96023	2.7
96.96992	1.2
105.07113	0.9
112.52403	0.6
113.02484	0.8
121.06583	1.8
125.02412	0.9
131.05048	1.8
133.02966	0.7
133.06590	2.2
134.03764	1.1
137.02499	0.8
147.04411	0.6
149.06094	17.0
159.04543	5.1
161.02499	0.8
162.03239	5.0
163.03995	1.7
169.01430	1.4
175.04012	2.7
176.04855	3.0
177.05585	49.8
178.05890	1.5
189.05707	0.5
191.03510	2.7
192.00612	0.8
193.05035	1.2
203.03569	1.7
205.01428	1.7
220.03757	6.1
221.04565	22.1
222.04903	0.8
245.00896	1.0
247.02470	2.6
250.03740	0.7
264.02811	1.6
265.03552	100.0
266.03931	5.9
271.41919	0.7
273.00467	1.2
291.01282	0.8
300.99771	1.9
302.00272	0.6
309.02524	2.8
330.22549	0.7
411.18597	0.6
427.08810	27.7
428.09149	2.6
453.07047	1.2
471.07733	12.8
471.35132	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	9.0
59.97781	0.7
69.92374	3.5
71.01393	5.0
72.99335	0.7
78.95911	4.5
79.05516	1.5
80.59705	0.7
85.02974	1.6
86.67773	0.7
89.02450	3.1
91.05566	0.8
93.03445	0.9
94.42944	0.7
95.01411	0.8
96.96016	1.6
96.96973	6.1
101.02436	1.3
102.64887	0.7
103.05574	0.9
105.07070	1.0
105.56077	0.7
106.07718	0.8
107.05032	0.8
113.02464	2.2
118.04250	0.8
119.05019	7.3
121.02980	1.2
121.06628	1.2
124.01649	1.4
125.02428	0.8
128.83714	0.7
131.05049	3.1
133.02960	1.2
133.06599	1.3
134.03755	0.9
137.02524	1.9
138.03169	1.2
145.03049	0.8
147.04544	10.2
149.02390	0.9
149.06087	14.4
152.01085	0.8
159.04527	5.9
161.02434	2.0
162.03230	3.4
163.04030	2.0
164.01181	1.1
165.01895	1.3
169.01477	1.2
173.02385	0.7
175.04012	32.3
176.04785	12.5
177.01997	1.6
177.05580	35.4
178.05901	0.7
179.03592	1.2
187.26492	0.8
190.02734	0.9
191.03510	7.9
193.05072	1.4
202.02710	1.1
203.03514	47.2
204.03801	3.4
205.01416	4.5
217.05014	1.1
219.03015	5.4
219.06454	1.0
220.03777	16.1
221.01181	0.9
221.04568	20.5
222.04840	0.8
235.02551	1.8
247.00069	1.5
247.02507	20.3
248.02728	0.9
255.24554	0.8
263.05521	1.3
264.02805	3.8
265.03543	43.8
266.03860	2.0
273.00491	0.9
277.03497	1.0
291.01407	3.1
307.04642	15.2
308.04807	1.7
309.02792	1.6
337.05621	1.8
360.21735	0.7
367.06744	17.8
368.06827	1.4
397.07538	0.8
409.07843	1.4
427.08817	100.0
428.09201	8.7
453.06787	1.4
471.07773	20.1
471.13705	1.9
471.34918	1.3
472.08420	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Lantic acid
Peak:m/z	Relative Intensity
61.24376	0.9
61.35535	0.9
62.81667	1.2
70.69028	2.3
71.01396	1.1
78.95906	1.3
111.63358	1.3
112.14604	0.8
122.02589	0.9
125.02451	2.8
169.01422	2.8
288.99823	1.1
309.73068	1.0
358.05994	0.9
383.29443	2.9
407.33243	12.1
408.33578	1.4
413.93256	1.0
423.32867	4.5
425.34286	100.0
426.34610	12.1
451.32263	11.5
452.32629	2.1
469.33249	82.2
470.33749	11.7
490.95139	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.6
61.98828	0.7
69.19011	1.4
70.64607	0.1
71.01385	0.4
72.99301	0.2
74.04542	0.2
78.95910	4.8
96.96040	1.8
96.96976	7.6
98.95615	0.2
99.00871	0.2
101.02446	0.3
103.83911	0.2
116.05082	4.3
117.03474	0.3
119.05046	0.2
121.02953	0.8
123.00894	0.4
123.04438	0.2
125.02448	1.1
131.65907	0.1
132.04547	0.5
135.04468	0.2
145.02957	1.0
146.03279	0.3
151.00354	0.4
159.03238	0.7
160.04054	100.0
161.04414	4.5
163.03995	0.2
168.00583	0.3
169.01445	1.3
174.01976	0.2
179.03477	0.2
204.03038	6.4
205.03342	0.2
247.02443	0.2
259.25446	0.2
264.06696	2.6
270.04892	0.2
300.99429	0.2
309.07666	0.2
348.07343	0.3
434.11957	0.2
470.10992	12.7
470.21451	0.6
471.11417	1.3
471.18759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3326
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
61.30471	0.4
68.68971	0.5
70.86914	0.7
71.49949	0.5
111.36256	0.5
133.22565	0.5
148.56660	0.5
289.21805	1.8
317.21213	0.5
393.27921	2.7
407.29532	2.4
409.31113	2.6
423.32718	70.0
424.33020	8.5
425.34396	1.4
447.37021	0.6
469.33249	100.0
470.33511	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	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
70.54173	0.5
71.05037	0.7
71.06148	0.2
73.63960	0.2
81.03465	0.2
95.05007	0.4
157.93791	0.1
209.80026	0.2
215.33307	0.2
228.26038	0.2
241.10634	0.2
257.83713	0.2
338.09189	0.2
405.31439	0.8
469.33240	100.0
470.33582	12.7
480.71082	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80976	0.3
63.33267	0.3
69.97557	1.4
71.05011	0.6
85.06596	0.6
87.71149	0.3
97.06607	1.5
98.19987	0.4
125.02460	0.6
197.56749	0.3
215.14520	0.3
215.70572	0.3
274.41641	0.3
391.30145	2.3
393.31537	2.7
423.27835	0.3
423.32864	5.2
424.32950	0.6
425.30484	0.8
437.30612	5.9
438.31003	0.7
439.32184	1.6
451.32312	0.8
469.33249	100.0
470.33588	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	469.3323
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.81981	0.2
57.13051	0.1
58.00605	0.4
59.01381	0.3
62.05134	0.2
68.07098	0.2
69.74282	0.5
69.74689	0.3
71.05033	2.2
72.11143	0.2
73.02958	0.1
74.37923	0.2
80.02697	0.2
85.06626	0.2
88.49073	0.2
95.05026	0.9
97.06611	1.5
113.06082	0.3
123.00919	0.3
125.02486	1.3
145.02991	0.3
150.17128	0.1
169.01445	1.1
189.00281	0.2
189.01848	0.2
225.16541	0.2
268.03815	0.2
270.26376	0.2
293.22827	0.2
300.99783	0.3
305.17410	0.3
307.24484	0.3
321.22263	0.5
363.27155	0.2
373.25171	0.2
375.31024	0.2
377.28543	0.2
379.30200	1.2
387.30688	0.5
388.27408	0.2
389.28494	1.5
391.30429	0.2
403.30090	1.2
405.31888	1.7
406.28677	1.7
407.29144	1.2
411.29108	0.3
413.30750	1.1
421.31400	1.3
422.31223	0.2
423.32803	3.6
424.33096	0.5
425.01535	0.3
425.34775	1.0
439.28256	1.0
449.30667	5.0
450.30872	0.6
451.32352	1.6
452.32407	0.2
455.31757	0.5
467.31711	12.8
468.32254	1.6
469.33282	100.0
470.33640	13.7
473.32556	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2961
Annotation	Chaxalactin C
Peak:m/z	Relative Intensity
56.58612	0.7
56.83197	0.6
59.01323	0.7
61.98809	0.6
62.95440	0.5
63.09772	0.5
66.24667	0.5
71.13297	1.3
73.02946	0.6
91.33603	0.7
92.62457	0.7
95.02723	0.6
110.86531	0.7
123.00823	0.8
125.02460	5.3
160.07805	0.7
166.99751	0.7
169.01437	6.0
210.54880	0.6
268.03522	0.7
269.04370	0.9
300.99835	1.1
469.29068	100.0
470.29526	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	469.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	2.0
57.03448	1.2
59.01387	15.3
61.98828	9.9
62.18599	1.0
65.42500	0.8
69.03445	0.9
69.66285	5.6
71.01386	20.6
71.05023	3.2
72.99310	1.6
73.02953	8.4
75.00857	1.2
83.01406	2.2
83.05025	2.8
85.02966	11.6
87.00886	1.4
89.02460	3.8
93.03447	1.6
95.01408	2.0
96.96043	1.8
96.96983	0.8
97.02953	0.9
99.00881	2.8
99.04532	1.4
101.02441	14.3
101.06096	6.3
107.01388	1.7
111.00847	1.5
113.02470	8.1
117.03482	11.9
119.05001	1.1
121.02958	1.4
123.00877	1.5
123.04544	2.5
125.02477	7.9
133.02989	6.6
134.03310	3.7
135.03555	1.6
135.04533	2.3
135.11842	7.1
137.02483	2.6
145.02963	7.7
153.05605	1.5
159.02972	1.4
161.02461	35.3
161.04485	7.3
161.05827	1.2
161.09731	4.1
162.02826	12.0
162.05612	2.7
163.02968	5.3
164.07137	1.1
169.01460	7.9
179.10796	32.9
180.11186	2.4
199.44267	0.8
203.14357	1.2
205.08701	2.1
217.01324	1.2
219.14374	0.8
223.09845	5.1
247.13446	2.4
263.11295	3.3
269.17612	1.2
271.19345	1.0
288.99939	1.9
300.99878	2.0
307.08255	3.7
451.16714	1.1
469.20682	100.0
470.21213	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	469.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24589	1.9
59.01381	13.8
61.98834	5.6
70.81212	3.3
70.81577	4.1
71.01387	6.6
72.16322	1.9
73.02940	2.3
80.52863	1.8
85.02955	3.2
93.75330	1.9
94.06673	1.9
101.02458	6.4
107.01401	2.7
107.03757	5.5
108.04578	4.4
117.03492	3.8
122.06129	34.8
125.02459	13.1
134.06218	2.2
135.08194	4.1
139.02731	2.1
145.02997	9.7
152.07190	70.0
161.02466	2.3
161.06059	2.9
162.05627	6.7
169.01439	15.5
174.01978	8.1
176.02229	4.3
188.07178	8.6
216.10316	25.2
228.10411	2.3
231.12985	2.1
260.12885	27.8
261.00433	2.2
261.13358	2.0
269.04877	1.9
275.40170	2.0
288.99918	4.8
300.99854	3.8
307.08011	2.3
311.10345	3.0
339.09909	7.8
399.50159	1.7
425.16406	3.9
425.20990	8.0
469.19864	100.0
469.34482	7.9
470.20258	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	469.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54961	0.2
55.01878	0.4
57.03422	0.3
59.01387	2.8
61.98835	0.3
63.61226	0.2
69.37456	2.3
71.01377	1.8
73.02959	0.6
77.03918	0.3
83.01385	0.5
85.02955	1.2
89.02464	0.4
95.11887	0.2
99.00882	0.5
101.02439	1.9
103.14413	0.3
105.03462	0.6
107.05061	0.3
113.02448	0.9
117.03493	1.0
125.02441	0.6
132.02180	1.9
133.02969	33.5
134.03183	1.4
135.04544	6.7
137.02455	0.6
137.09729	0.7
161.02455	100.0
162.02808	3.4
163.04031	0.4
169.01460	0.3
179.03506	2.7
180.03816	0.4
187.11302	0.5
190.38231	0.3
203.14375	0.7
209.85466	0.3
223.76836	0.3
229.12453	0.3
247.13368	1.2
465.65570	0.3
469.20792	69.8
470.21109	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
57.03445	0.9
59.01387	12.2
60.01722	0.5
61.98833	7.6
68.02543	3.4
69.39977	3.2
71.01383	9.3
71.05045	0.7
72.99297	0.6
73.02953	3.9
83.01405	1.6
85.02958	4.7
87.00914	0.6
88.37220	0.5
89.02471	2.2
95.01421	1.0
95.04964	0.6
99.00874	1.0
101.02459	6.1
101.06085	1.6
107.05026	0.6
111.46431	0.4
113.02463	2.7
115.01992	0.5
117.03483	2.0
119.03544	0.9
119.05042	0.9
123.00905	0.8
123.04551	1.3
125.02455	3.8
126.99568	3.1
132.02161	1.2
133.02969	35.0
134.03804	1.0
135.04527	7.3
135.11848	2.5
137.02422	0.8
145.02971	3.0
146.03281	0.5
151.04054	0.8
152.07214	0.6
158.03741	0.6
161.02457	100.0
161.04625	2.9
161.09731	1.2
162.02803	4.3
163.04066	1.0
165.59375	0.5
167.00044	0.5
167.03522	1.1
168.03053	1.1
169.01450	4.4
177.01768	0.6
179.03532	2.6
179.10788	12.1
180.11211	0.7
191.03564	0.6
203.14349	0.6
209.11845	0.5
219.02977	0.5
247.13255	1.0
261.00146	0.5
263.11398	1.8
269.04373	0.4
288.99936	1.3
290.93967	0.5
291.18112	0.6
299.99152	0.6
300.99921	0.7
307.08435	0.8
423.22427	2.3
425.01129	0.6
436.23773	0.5
469.20831	77.7
470.21201	7.7
481.63336	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.0
61.98838	1.0
69.48022	4.7
69.48355	0.7
71.01396	1.2
78.95912	55.1
89.02457	0.8
95.01435	0.7
96.96053	16.4
96.96970	100.0
107.01436	0.9
116.05082	3.1
117.03487	2.5
118.08205	0.6
119.05041	1.6
123.00919	1.1
125.02456	3.7
135.04575	0.7
140.93497	0.6
145.02960	12.3
155.24797	0.6
160.04054	87.8
163.04028	1.9
169.01445	3.9
179.03499	0.8
204.03024	5.8
208.82628	0.7
251.25960	0.7
264.06754	1.8
268.03784	2.9
269.04541	2.6
301.00040	1.0
431.10101	2.0
469.21710	4.7
470.10989	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	469.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02915	0.5
70.97736	0.8
81.12428	0.5
94.06609	3.5
95.61549	0.5
102.63246	0.5
106.06623	0.5
107.03786	7.4
120.04578	1.2
122.06138	34.7
123.06488	1.2
124.07690	1.6
130.02998	0.7
134.06197	2.3
139.02760	2.0
139.03748	0.5
150.05621	0.8
152.07196	60.1
153.07498	2.0
156.08200	0.6
160.04048	0.7
162.05652	5.2
169.01471	0.8
169.05380	0.6
174.01981	4.5
186.02061	0.7
186.05597	0.5
188.07204	6.6
201.07945	1.7
202.05307	0.4
202.08621	0.6
206.04559	0.6
216.10315	21.5
217.10811	1.7
218.04570	0.5
225.04138	0.5
228.10356	0.8
260.09634	1.1
260.12939	25.0
261.09735	0.4
261.13214	1.3
272.09067	0.6
304.11957	1.4
311.10437	2.1
312.10983	0.5
339.09921	5.4
381.18314	0.6
407.77798	0.6
425.16516	2.5
425.21704	7.5
426.21741	0.7
441.20703	0.9
469.19827	100.0
470.20166	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54908	0.9
55.01875	3.1
57.03447	3.0
59.01380	12.0
61.98820	2.8
63.21281	0.9
67.01894	1.7
69.03465	1.4
69.15865	0.8
69.26337	4.1
69.26763	4.6
71.01387	35.3
71.05027	5.2
73.02953	13.1
73.06578	1.2
73.86886	0.8
74.50824	0.9
75.00868	1.6
79.63091	0.9
83.01385	4.5
83.05019	4.4
85.02959	15.5
87.04527	1.7
89.02438	2.3
95.01388	2.4
97.02953	3.2
97.18606	1.0
98.49509	1.0
99.00878	6.0
101.02452	18.0
101.06084	11.3
107.01406	1.0
111.00886	4.3
113.02459	12.4
125.02441	10.6
129.47137	1.0
135.11813	25.8
136.12097	1.3
137.09720	2.2
138.01938	2.1
143.03490	1.3
145.02921	1.6
155.10797	5.1
159.02982	3.4
159.08119	2.2
161.02571	1.1
161.04556	20.3
161.09752	8.7
169.01424	3.3
179.10788	100.0
180.11073	4.1
199.09756	5.3
205.06943	1.0
205.08679	2.3
223.09789	2.2
249.12674	0.9
263.11359	15.0
265.10672	1.2
283.11847	2.3
344.93271	0.9
353.84885	1.1
364.81934	1.2
425.21732	3.0
469.05841	1.1
469.21008	21.2
470.21286	2.3
473.42218	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40010	0.6
59.01385	4.1
59.97485	0.6
67.87041	0.7
69.50475	4.7
71.01398	2.5
89.02451	1.3
89.04008	1.0
96.96033	2.5
98.19859	0.7
105.03471	1.9
117.03492	1.9
121.03004	1.2
123.00909	0.9
124.92604	0.6
125.02475	4.6
133.02974	7.7
145.03017	3.9
160.01637	0.9
161.02460	30.4
162.02916	1.5
163.04036	2.7
166.23167	0.6
169.01453	6.3
173.02463	2.0
175.03979	1.2
177.01981	1.2
189.01947	35.8
191.03535	2.0
195.06689	0.8
199.42316	0.6
205.01445	1.1
207.03021	2.2
217.01431	29.5
218.01825	1.5
219.02960	1.1
233.00925	3.5
235.02602	0.7
245.00908	8.7
256.21686	0.7
261.00418	44.8
262.00897	3.0
263.01978	2.5
288.99927	100.0
290.00266	7.0
299.99136	0.9
301.00018	0.6
313.05688	1.5
407.00519	0.7
409.04089	3.7
425.01584	4.1
425.07352	6.4
451.04987	1.9
469.06207	31.4
470.06607	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	469.0052
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.3
70.89224	0.9
70.89552	1.0
71.01370	1.5
71.67117	0.6
77.57845	0.5
83.85973	0.7
96.96021	5.6
98.68270	0.6
101.02442	0.8
111.00903	0.6
112.44431	0.6
115.00351	1.4
117.03446	0.6
123.00913	1.1
125.02453	2.7
125.54111	0.7
128.03613	0.8
133.02985	2.5
137.02467	1.0
139.00426	1.3
145.02950	1.5
149.02438	0.8
155.05190	0.6
161.02460	7.0
163.00420	0.8
163.04004	1.3
165.01929	1.4
165.04059	0.8
169.01489	1.8
172.01639	1.4
173.02402	0.8
175.02505	3.9
175.03920	1.1
177.01955	3.1
177.05627	0.6
179.03432	0.8
179.04987	0.7
189.01927	8.9
190.02670	2.1
191.03534	1.8
195.06537	0.6
201.01987	1.1
201.05632	1.8
203.03598	0.8
205.01463	1.0
205.05049	2.0
207.02884	0.9
209.00912	1.2
217.01424	9.7
219.03029	4.0
228.00671	1.2
233.00903	2.1
242.99338	1.0
244.00070	1.0
245.00960	5.2
249.03987	0.8
251.03490	1.6
256.25223	0.6
261.00375	13.2
262.01178	2.4
263.01910	3.8
270.98831	2.5
271.99631	1.6
273.00449	2.0
279.03073	1.4
282.98917	0.7
283.02853	0.6
288.99930	24.9
290.00278	1.0
293.03143	2.7
295.02591	1.6
298.98419	2.2
299.99118	24.2
300.99820	5.7
302.00296	0.7
307.02225	1.6
309.04227	0.8
323.02133	2.4
324.99957	1.4
325.03528	1.5
333.00241	0.9
335.01932	3.4
341.02908	0.9
351.01337	4.0
353.03040	1.4
363.01324	1.7
369.02426	1.3
379.00958	14.6
380.01520	1.1
381.02591	1.1
397.01971	3.1
407.00470	17.6
407.05661	1.3
408.00787	2.3
425.01559	100.0
426.01849	9.2
450.99362	0.7
469.00354	2.9
469.05792	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	467.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42303	0.5
55.01888	8.3
57.03455	7.2
58.00592	2.1
59.01387	47.8
60.29114	0.5
61.98831	1.2
64.06790	0.5
67.01858	0.6
68.10942	0.5
68.99834	0.6
69.03463	2.2
69.41117	2.0
69.41539	2.2
69.51374	0.5
71.01390	100.0
72.01727	1.1
72.99323	2.7
73.02954	34.1
74.03294	0.8
75.00871	2.2
78.95898	0.7
81.03475	0.6
83.01395	18.1
84.02198	1.0
85.02962	44.0
86.00098	1.0
86.03289	0.8
87.00901	5.3
89.02456	18.1
89.19877	0.5
93.83949	0.5
93.92820	0.5
95.01395	7.4
97.02957	4.0
99.00891	13.9
99.04531	0.6
101.02454	90.7
102.02812	0.9
107.01386	0.7
109.02990	0.6
111.00889	1.6
113.02461	42.9
114.02753	0.6
119.03527	6.3
119.05008	0.8
119.66932	0.6
123.00915	1.6
125.02464	6.5
129.01924	2.3
131.03464	1.6
137.02408	0.8
143.03532	5.8
143.18672	0.6
159.03006	10.1
161.04573	42.3
162.04933	1.0
169.01451	3.1
179.05611	2.8
181.70369	0.6
182.25490	0.5
205.03427	1.1
206.23184	0.5
221.06683	0.8
245.06592	0.8
263.07660	1.9
268.03702	0.8
275.01736	0.7
300.99869	1.6
305.19727	58.0
306.20016	3.6
467.19165	2.8
467.25000	46.8
468.25436	5.3
492.01035	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.317
Annotation	Oncostemonol H
Peak:m/z	Relative Intensity
53.73055	0.5
71.13885	0.9
125.02426	1.0
130.56245	0.4
148.74921	0.4
169.01436	0.7
191.14281	0.5
268.27161	0.4
271.93732	0.4
287.20099	2.1
300.99878	0.7
391.26566	6.1
392.27158	0.6
405.27963	3.5
406.28534	0.5
407.29614	3.5
408.29779	0.6
421.31143	79.7
422.31476	10.6
423.32639	3.1
467.31696	100.0
468.32013	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	467.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	3.6
59.01386	100.0
69.03455	2.5
69.48824	15.2
71.01390	31.1
72.99318	5.4
73.02960	26.7
85.02969	11.2
86.00966	1.9
87.00883	7.0
89.02455	31.9
95.01400	9.3
101.02451	46.5
103.04018	19.1
107.01406	8.4
113.02464	5.3
115.04035	5.4
117.03508	3.1
119.03513	11.3
123.00905	18.3
125.02470	35.2
131.03523	11.7
139.00456	2.4
141.58966	2.0
143.03493	11.1
145.02971	3.5
145.05017	5.5
161.02487	3.5
163.06154	77.4
166.99907	13.3
168.00323	2.9
169.01453	42.6
170.01767	6.7
179.05650	4.7
190.18098	2.1
201.01933	3.7
205.07162	22.7
208.59193	2.0
217.01418	2.7
245.00810	2.4
265.09302	9.8
273.00403	3.6
275.02081	4.8
297.58389	2.3
298.98315	3.9
299.99057	3.8
300.99899	33.3
302.00269	13.1
407.19257	26.0
408.19281	3.2
416.85803	2.3
438.53345	3.9
452.53235	4.0
453.03354	2.4
493.80515	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.5
59.01386	2.0
69.26286	2.7
71.01389	2.2
73.02962	1.0
76.68764	0.3
83.01381	0.6
83.04984	0.3
85.02964	1.3
87.00895	0.4
88.07069	0.3
95.01429	0.3
99.00887	0.3
101.02469	1.7
105.03472	0.6
113.02436	0.6
115.01870	0.3
117.03493	1.3
123.04525	0.5
125.02474	1.9
132.02193	1.6
133.02975	36.1
134.03453	1.1
135.04541	7.9
137.02449	0.6
143.10857	0.4
145.03004	0.3
145.66814	0.3
161.02466	100.0
162.02798	4.0
163.04117	0.4
169.01405	2.6
170.01779	0.7
179.03485	2.4
183.40385	0.3
187.31821	0.3
312.90018	0.3
393.57269	0.4
395.70566	0.3
446.52167	0.3
467.19241	70.1
468.19595	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	467.2056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53312	3.7
55.01883	3.0
57.03444	9.3
57.56443	2.9
59.01110	4.5
59.01387	62.7
61.98841	26.7
69.03435	3.4
70.30168	11.2
71.01397	30.7
72.99305	3.3
73.02946	9.8
83.01408	7.1
83.05016	3.8
84.37167	3.4
85.02947	15.5
87.00861	4.4
87.04524	36.5
89.02451	16.5
89.02946	3.4
95.01405	9.7
96.95986	5.1
97.02944	4.9
99.00883	3.9
101.02447	28.0
101.19444	3.0
107.01384	10.6
113.02486	15.3
113.03178	2.9
117.03486	28.8
119.03518	4.0
119.05025	18.5
122.74560	3.2
123.00939	15.0
123.04527	5.0
125.02464	40.9
126.02809	6.3
135.04547	5.6
137.02467	5.8
143.03506	3.4
144.04530	4.2
145.02959	100.0
146.03349	4.5
149.04642	3.4
153.01965	7.1
160.04012	5.4
161.02448	6.1
161.04564	9.5
163.04048	18.9
166.99910	7.1
169.01456	64.9
170.01776	9.3
173.61253	3.3
175.04013	5.1
177.02100	3.4
179.05585	6.7
183.10292	3.2
229.01358	3.6
229.12364	7.7
245.00610	3.3
266.91476	3.2
268.03851	8.2
269.04431	15.3
269.17609	73.0
270.17847	7.0
275.02179	5.9
287.16476	8.8
300.99866	23.5
302.00360	6.4
335.20755	16.0
338.03036	3.4
390.55591	5.3
407.26315	8.5
431.09567	6.8
450.42847	3.3
467.06036	10.7
467.11853	12.6
467.19308	59.1
467.25336	13.5
468.19919	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	467.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16618	0.6
59.01387	32.5
61.01799	0.7
61.98837	1.8
70.18818	0.6
70.82693	1.4
71.01387	2.6
74.11316	0.6
78.95905	1.9
79.95760	2.6
89.02448	1.8
91.08140	0.6
95.01386	2.2
96.96022	100.0
97.02944	1.2
101.02444	1.4
107.01405	2.7
108.02216	0.8
109.02971	3.3
113.02450	1.1
123.00891	4.8
123.04528	2.2
124.01215	0.7
125.01536	0.9
125.02461	18.4
126.02790	1.2
126.39124	0.7
133.02940	0.7
138.97078	1.3
139.00359	1.3
145.02975	0.8
147.08142	1.9
151.00375	1.4
152.01126	1.4
153.01968	4.5
153.05634	2.0
163.04134	0.8
166.99902	1.8
169.01447	25.3
170.01823	2.3
173.02470	1.1
185.02522	0.6
187.00392	0.9
201.01900	1.2
203.03523	0.7
216.00645	0.8
217.01445	1.1
225.11328	27.1
226.11775	1.8
229.01396	1.5
231.03128	1.2
245.00923	1.9
246.01512	1.0
249.04068	0.8
257.00867	0.9
259.01282	4.1
261.00421	0.9
273.00610	1.5
275.01984	3.4
276.02249	0.9
299.99246	2.4
300.99887	16.6
302.00220	4.9
303.00354	0.7
305.07025	83.0
306.07358	5.4
313.05685	1.5
315.07394	2.4
423.09402	0.7
431.12006	0.8
449.03659	0.9
467.12543	50.8
468.12799	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	467.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	7.1
59.87448	1.8
65.00340	2.2
67.01899	2.6
69.03456	3.4
69.37824	2.0
69.55490	14.6
71.01395	6.4
71.91211	2.2
78.95914	4.5
81.03455	2.2
83.05019	2.2
85.02958	3.3
89.02505	3.1
93.03486	7.9
95.01395	4.5
96.96026	13.5
96.96974	5.9
97.02965	2.1
99.61913	1.9
101.02459	4.5
105.03503	5.5
109.02975	7.5
113.02457	4.2
117.03487	4.6
119.01434	2.5
119.05043	5.7
121.02966	10.0
123.00903	5.1
125.02461	29.4
131.01422	2.4
133.02956	6.2
135.04552	2.7
137.02469	10.9
143.01392	2.3
145.02971	8.9
147.00864	4.7
147.04568	5.8
148.01669	3.8
149.02434	15.2
151.00340	3.2
152.01184	2.2
153.01967	5.5
153.05537	3.2
159.00839	4.7
160.01622	2.7
161.02469	25.9
163.00417	6.2
163.04039	10.4
165.01982	16.0
169.01466	31.9
170.01816	2.9
173.02451	4.4
175.00383	6.7
175.03995	6.5
176.01132	3.9
177.01964	8.6
179.03534	4.8
187.00339	9.6
187.04051	4.2
188.01230	3.1
189.01974	14.3
190.02711	3.2
190.99780	2.4
191.03546	16.0
192.00684	2.5
193.01436	99.7
194.01749	5.7
199.00490	2.1
201.02026	3.4
202.99879	9.0
203.03479	7.0
204.04417	2.8
205.01517	13.3
205.04994	2.3
207.03055	4.6
214.99886	9.0
216.00635	6.4
217.01431	24.0
217.04993	3.7
218.01994	2.6
229.01337	4.8
230.99425	3.1
231.02980	4.3
233.00938	16.9
235.02353	12.9
237.00424	100.0
238.00710	5.5
242.99287	14.6
245.00883	4.2
247.02464	3.5
249.04079	2.2
257.00897	7.8
258.98840	21.6
259.99536	8.8
261.00385	16.9
271.04587	3.0
273.00397	3.2
275.02145	11.1
275.05582	2.3
276.99805	2.6
283.13745	2.1
285.06284	4.8
286.98322	10.0
291.01495	4.0
300.99951	23.0
302.00204	5.6
303.01392	6.9
304.99277	3.3
305.06918	5.8
315.07092	2.8
319.00894	6.7
319.04349	2.6
347.00140	2.4
351.04123	2.9
354.83975	2.5
363.03754	7.6
379.02979	14.6
379.07016	6.5
407.02609	14.6
423.05765	22.7
424.06290	2.3
439.05188	17.9
449.03302	4.5
467.04471	67.3
467.12540	7.6
468.04984	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65393	0.3
59.01383	2.0
61.98835	0.7
67.01888	0.4
69.03465	0.5
71.01389	3.3
73.02952	0.6
79.01896	0.6
83.01372	0.6
85.02969	1.0
89.02460	0.5
95.01398	0.6
97.02978	0.5
101.02468	1.3
103.86793	0.4
107.01403	5.8
111.00901	1.1
113.02445	0.8
119.05119	0.4
121.02924	0.6
122.03751	12.8
123.00901	5.4
124.01703	1.3
125.02460	30.0
126.02779	1.3
136.98872	0.6
137.02539	0.5
139.00415	2.1
140.01189	1.1
141.01958	0.9
151.00371	4.3
152.03549	100.0
153.03900	2.6
161.02429	0.4
161.04404	0.4
166.99846	0.4
168.00650	1.7
169.01442	42.3
170.01834	1.5
206.48001	0.4
211.02493	1.3
241.03566	0.7
268.03769	5.3
269.04553	6.8
271.04535	0.8
300.99841	0.8
313.05670	66.8
314.06015	4.0
335.20416	0.4
431.09875	5.0
466.09933	35.9
467.10492	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	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87218	0.7
55.01885	3.6
57.03442	3.4
57.79052	0.6
58.00605	3.9
58.99002	0.6
59.01385	96.6
60.01725	0.9
61.98838	2.2
67.01876	0.6
67.28705	0.7
69.03475	1.3
69.24421	3.3
69.24845	2.7
71.01389	100.0
72.01730	1.0
72.99318	4.1
73.02952	19.7
75.00911	1.4
81.03481	0.7
83.01399	8.4
83.29878	0.6
84.02213	0.8
85.02960	28.7
87.00881	8.0
89.02454	84.3
90.02764	1.8
95.01388	7.1
97.02970	3.3
98.19819	1.5
99.00909	5.4
99.91586	0.7
101.02452	78.5
102.02789	2.0
107.01413	1.5
107.05042	1.1
109.02974	1.0
110.06129	1.0
111.00855	0.7
113.02462	40.9
114.02787	1.2
119.03515	39.4
120.03869	0.9
122.06111	1.9
123.00888	2.1
123.03294	0.9
123.04514	0.6
124.01647	1.3
125.02457	7.8
129.01978	1.0
131.03519	10.9
137.02414	2.2
138.05608	4.0
139.00325	1.1
143.03520	14.0
145.02930	2.4
149.04509	4.1
151.04041	3.7
159.03033	3.6
159.04179	0.8
161.04565	30.8
162.04881	1.3
166.99788	1.1
169.01443	3.9
174.05554	2.4
176.01099	1.5
177.01804	1.2
179.05626	57.6
180.05849	1.6
185.42944	0.7
191.07063	1.0
193.01344	0.8
195.02908	2.4
203.03406	2.2
204.04201	1.6
218.05824	3.7
221.04620	1.2
221.06664	22.5
222.07086	0.7
263.07623	1.5
267.15973	1.0
300.99841	3.8
301.99631	1.2
303.00470	0.7
303.13293	2.2
303.17886	1.3
312.10876	0.7
356.60883	0.9
418.14679	3.5
418.64429	1.6
427.14844	3.7
427.64709	1.6
449.14801	3.6
449.64877	1.5
465.05359	1.5
465.17044	26.5
465.23126	10.4
466.17496	2.6
466.23425	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	465.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97767	1.2
52.28101	1.2
57.03448	4.4
59.01385	100.0
70.02339	5.9
71.01395	22.1
72.99296	1.5
73.02946	2.3
75.29628	1.1
78.95908	2.9
85.02965	5.1
87.00905	2.2
89.02454	32.3
93.03464	1.3
95.01401	4.3
98.06354	1.4
101.02457	13.1
107.01385	5.5
112.05334	1.5
113.02467	11.4
119.03516	14.2
123.00905	7.3
123.04494	1.1
125.02458	15.0
134.72139	1.1
137.09732	1.9
139.00354	1.5
139.07671	1.5
140.01102	1.5
143.03479	3.0
149.04546	1.2
149.09749	16.6
151.00334	2.0
151.04008	3.3
153.01968	1.8
153.09245	6.9
161.02440	1.4
161.04550	7.3
161.05704	1.2
163.03923	1.3
166.99846	4.3
167.10788	34.0
168.11218	1.5
169.01445	23.4
170.01672	1.2
175.04065	1.3
177.01877	1.9
179.05682	12.5
201.01913	1.9
209.11937	1.3
217.01398	1.4
223.07707	1.4
225.14919	4.3
229.01451	2.0
243.16006	7.3
245.00919	2.3
247.02299	1.8
257.08307	1.2
273.00305	1.6
275.01953	3.0
285.04022	1.3
299.99084	3.0
300.99863	21.8
301.99927	7.4
303.00482	4.4
303.05035	2.3
313.05630	4.9
400.88330	1.2
405.21338	21.5
406.21692	3.5
421.11340	3.5
438.03198	1.7
452.02502	2.1
465.05161	11.7
465.11279	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	5.4
58.00607	0.7
59.01388	100.0
60.01695	1.1
61.98829	2.0
64.66978	0.7
67.01887	1.3
69.03463	2.0
71.01008	1.6
71.01389	24.3
72.99306	2.3
73.02962	2.4
78.84572	0.7
78.95898	1.3
83.01390	1.7
85.02976	5.9
87.00893	2.4
89.02458	32.6
93.03464	1.3
95.01396	4.5
96.96038	1.3
96.96973	1.5
97.02945	1.9
99.00898	1.3
101.02467	15.2
107.01424	7.0
109.02968	1.7
111.00892	2.6
111.04501	0.8
111.66971	0.7
112.05282	1.0
113.02460	11.5
116.67022	1.0
117.03481	1.0
119.03522	14.7
119.04955	1.3
121.02938	1.8
123.00904	7.1
125.02468	29.5
131.03522	1.3
133.02962	0.9
134.07397	1.7
135.08139	1.1
137.02438	2.0
137.09702	1.4
139.00407	2.4
139.07643	2.1
139.11221	0.9
140.01181	1.3
143.03526	3.9
145.02969	2.0
147.04552	0.8
149.02454	2.5
149.04585	2.1
149.09750	16.5
150.10133	1.1
151.00345	2.6
151.04001	0.9
153.01978	1.3
153.09233	8.2
159.02940	0.8
161.02435	2.0
161.04591	9.0
163.00389	1.9
163.03976	1.9
165.01988	1.6
166.02711	1.0
166.99843	3.2
167.03537	1.0
167.10793	36.6
168.00636	2.4
169.01447	39.7
173.02438	1.6
175.03998	2.3
176.01236	1.0
177.01898	2.0
179.05666	9.8
185.02446	1.8
189.01965	1.3
190.02673	1.7
191.03627	0.9
193.01410	2.2
199.04024	2.0
201.01927	4.5
203.03523	2.4
205.01503	1.0
207.14027	1.4
209.11815	1.5
211.02501	2.3
215.03627	0.9
217.01479	2.2
217.05081	1.3
225.15007	5.8
229.01404	3.1
231.02985	2.8
233.88190	0.8
241.05142	2.0
243.02971	2.2
243.16028	9.6
244.16461	1.3
245.00894	3.5
246.01616	1.2
247.02580	4.8
247.64433	0.9
257.00983	2.8
258.01672	0.9
259.02448	2.5
261.00391	1.3
273.00488	5.6
273.03177	1.1
274.01111	1.2
275.01953	5.9
276.02219	0.8
279.01587	0.8
285.00409	3.3
285.04059	8.2
287.01923	1.7
295.04599	2.2
298.98669	0.9
299.02005	4.3
299.99026	2.3
300.99942	32.4
301.03378	1.8
302.00140	4.5
303.00589	0.8
303.05075	2.9
313.05704	9.3
329.08826	1.0
391.03012	2.2
403.03094	5.4
405.21338	32.3
406.21664	2.3
421.04312	1.0
438.03485	1.3
465.06357	23.0
466.07312	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	465.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.4
58.52608	0.5
59.01387	100.0
61.98832	2.5
70.82996	1.1
70.83310	0.7
71.01391	12.8
72.99334	0.8
78.95917	26.3
83.98175	0.6
85.02985	2.2
89.02461	16.7
95.01404	1.2
96.96090	0.8
96.96996	1.6
100.47191	0.6
101.02463	7.0
107.01442	1.7
109.02982	1.1
113.02460	5.2
119.03516	9.0
123.00909	2.8
124.01679	0.9
125.02452	8.7
131.03587	0.9
134.07352	0.7
137.02458	0.7
140.31529	0.6
143.03561	1.3
149.04610	0.8
149.09718	4.8
151.00392	1.5
153.01898	0.9
153.09259	2.5
159.09825	0.6
161.04622	2.7
165.01944	0.6
166.99849	1.6
167.03525	0.9
167.10788	9.3
168.00693	0.7
169.01472	7.0
173.02568	0.7
177.02028	0.6
179.05592	5.8
193.01479	1.2
223.07739	0.7
225.15044	1.4
243.16119	1.6
245.00873	0.9
247.02544	1.0
257.08295	1.0
258.08215	0.7
275.02075	1.0
285.04187	2.0
285.07550	0.7
299.99277	1.8
300.99872	5.9
301.99829	3.2
303.00632	1.7
303.05212	2.7
303.08871	2.2
313.05920	1.6
402.06436	0.6
405.21310	6.7
421.11603	1.0
465.05496	6.6
465.15579	10.6
466.07303	0.9
466.15451	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	7.2
63.01096	3.3
65.00760	3.2
67.96459	2.8
71.01379	18.6
72.99338	4.1
89.02445	4.0
96.85565	2.9
96.96973	4.9
104.94006	3.0
115.00382	41.5
115.86189	3.1
123.00856	3.4
125.02456	8.9
133.01445	100.0
151.00328	3.6
169.01416	19.0
178.46962	3.1
211.02512	4.7
330.42703	3.0
331.06677	40.9
337.23950	4.2
384.59967	3.3
412.26810	4.1
465.12329	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	465.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	9.5
64.99215	2.0
65.36018	2.2
69.00582	2.4
69.37509	16.2
69.77912	2.2
71.01392	16.6
72.18114	2.2
72.99279	2.2
80.96408	2.0
85.76377	2.2
86.98222	2.5
89.02448	5.5
95.32943	2.3
102.73387	2.0
114.87669	2.4
115.00385	41.2
123.00873	4.2
125.02444	4.5
133.01443	100.0
151.00340	3.3
169.01418	13.8
211.02551	3.9
331.06750	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	465.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	53.4
60.99314	13.2
61.98836	11.0
71.01393	18.9
73.02969	4.2
85.02914	5.2
87.31734	3.5
88.00354	4.6
88.98810	100.0
89.02451	64.8
98.20628	7.5
99.04546	4.0
101.02441	15.3
113.02427	9.8
119.03522	5.0
119.05008	18.5
123.00874	11.8
125.02441	27.0
131.07039	4.1
136.05261	9.1
137.73943	4.0
145.02910	16.3
149.06120	11.3
161.04526	7.9
163.04013	18.7
164.04207	5.2
166.99855	4.8
169.01447	24.4
182.76158	4.4
244.14781	5.1
259.17029	11.0
267.15802	8.0
276.55911	4.1
281.10162	4.5
299.99075	7.5
300.99753	23.9
301.99677	11.5
303.09302	5.1
303.16000	29.0
396.51953	4.0
465.06174	11.9
465.17184	15.2
465.22342	8.5
465.27032	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	463.1096
Annotation	Mudanoside B
Peak:m/z	Relative Intensity
58.00582	1.7
59.01386	29.9
65.24523	0.8
67.16895	1.0
69.03461	3.9
69.38831	1.0
70.74844	1.0
71.01389	16.9
71.56609	1.6
72.99304	3.5
77.08322	0.9
78.95863	0.9
79.67663	1.2
81.03468	1.1
85.02950	3.7
87.00896	1.7
89.02452	17.9
95.01373	1.7
96.96009	3.1
96.96971	1.3
101.02445	12.4
107.01402	4.0
111.00893	3.1
113.02454	7.5
117.73231	1.1
119.03510	7.9
121.02927	1.0
123.00874	3.5
124.01602	1.8
125.02461	30.7
126.02793	1.3
131.03577	1.8
136.88943	1.0
136.98833	1.2
137.02438	1.3
139.00349	3.3
139.02240	3.6
140.01169	3.1
143.03479	1.1
149.04564	1.4
151.00365	2.0
151.02246	6.1
151.82922	1.1
159.02960	1.1
166.99869	1.5
167.03580	1.1
168.00656	15.2
169.01443	40.3
170.01741	1.9
171.79222	1.0
195.01311	1.9
211.02492	59.2
212.02820	3.1
213.02272	12.6
241.03517	2.2
265.03500	1.2
271.04620	55.7
272.04977	3.6
275.01831	1.9
299.99088	4.4
300.99869	12.8
311.09860	41.9
312.10278	2.6
313.05737	1.8
331.06671	4.5
375.07471	4.9
445.09888	10.0
463.05283	6.6
463.10901	100.0
464.05588	1.3
464.11261	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	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11277	0.2
57.03449	0.6
59.01104	0.4
59.01387	4.7
61.98849	0.4
63.02413	1.3
65.00331	3.6
69.87614	1.0
71.01391	2.8
73.02961	0.7
83.01389	2.7
85.02953	1.4
87.00861	0.3
87.19270	0.2
89.02454	1.3
93.03457	0.7
95.01398	0.6
99.00911	0.4
100.95602	0.2
101.02464	2.1
107.01402	6.6
109.02967	0.4
111.00912	1.2
113.02454	0.9
117.03546	0.2
119.01393	0.2
119.03552	0.3
119.05054	0.5
121.02976	2.1
123.00884	0.9
124.01695	0.4
125.02475	3.5
132.02235	0.2
135.04482	0.2
137.02415	0.3
139.00365	0.2
139.04050	0.5
143.48552	0.2
145.03001	0.5
147.00925	0.7
147.04559	0.5
148.01686	0.9
148.04045	0.3
149.02455	24.3
150.02841	0.6
151.00388	19.4
152.01006	0.6
153.02011	0.4
154.68459	0.2
161.02367	0.2
161.04517	1.3
163.00354	0.4
163.04024	0.3
165.01930	0.4
165.05537	0.2
169.01459	1.8
170.01857	0.2
171.04546	0.3
175.00366	0.7
175.03940	0.3
177.01932	1.5
178.99989	0.3
185.06108	0.4
187.04037	0.7
189.01886	0.3
189.05560	0.4
191.03491	1.0
193.01466	0.4
199.03938	0.3
200.01311	0.3
201.01988	0.2
201.05522	0.3
203.03508	0.3
209.11844	3.0
209.61264	0.2
211.04012	0.5
213.05525	0.3
214.02792	0.4
215.03502	1.8
216.00677	0.5
216.04161	0.3
217.01451	0.4
220.58333	0.2
227.03488	0.6
227.12965	0.3
229.01433	0.5
229.05101	0.7
231.03159	0.5
233.04637	1.2
239.03490	0.6
243.02940	0.7
244.00111	0.4
245.00969	0.4
255.03061	0.9
257.04468	1.0
259.02472	0.4
269.09335	0.3
271.02469	1.4
271.99698	0.2
272.03247	0.9
273.04074	0.5
282.99252	0.3
283.02335	1.1
283.99524	0.3
285.04071	0.5
299.01907	0.6
299.99146	9.1
300.02786	11.6
300.99991	10.9
301.03510	100.0
302.00275	0.8
302.03860	7.2
331.17596	0.9
401.14761	1.0
403.19757	0.4
462.19525	0.3
463.09546	20.5
463.21497	2.9
464.09570	2.6
464.22449	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	1.4
59.01586	0.8
59.22833	0.2
61.98721	0.3
63.02261	0.8
64.31359	0.3
65.00183	2.0
65.00570	0.9
66.72825	0.2
69.30254	2.5
71.01231	1.3
73.02835	0.5
73.03182	0.3
83.01234	2.1
83.01768	0.3
85.02832	0.8
88.25960	0.2
89.02319	0.6
93.03346	0.6
95.01277	0.4
98.19912	0.5
99.00788	0.5
101.02292	0.8
107.01218	6.2
109.02801	0.4
111.00710	1.6
112.64431	0.2
113.02313	0.5
113.02972	0.3
121.02780	1.7
123.00694	0.8
123.01516	0.2
124.01546	0.5
125.02267	3.2
135.04424	0.4
137.02316	0.5
139.03859	0.5
147.00748	0.5
148.01489	0.8
149.02455	23.3
149.03572	1.2
149.04129	1.0
150.02614	0.7
151.00388	18.3
151.01535	1.1
152.00748	0.6
161.04419	0.5
161.05814	0.2
163.03893	0.5
164.00807	0.2
169.01288	0.7
169.02638	0.2
171.04353	0.4
175.00220	0.8
175.03807	0.3
177.01988	1.2
178.99753	0.3
185.05937	0.3
187.03896	0.6
189.01849	0.4
189.05490	0.3
191.03305	1.1
201.01732	0.4
203.03354	0.4
209.11824	1.7
211.03796	0.5
215.03539	1.6
217.01236	0.3
227.03482	0.5
227.06470	0.2
229.04906	0.5
231.02917	0.9
233.04388	0.9
239.03377	0.8
243.02928	1.0
255.02892	0.8
257.04535	0.7
259.02423	0.7
266.02209	0.3
271.02451	1.1
272.03073	0.5
273.03848	0.5
283.02377	1.0
285.03897	0.4
299.01923	0.6
299.99121	5.4
300.02762	11.9
301.00037	5.8
301.03531	100.0
302.00577	0.5
302.03854	7.3
331.17767	0.7
331.66452	0.3
401.14908	0.4
463.09268	23.2
463.21725	2.1
464.09348	3.0
479.24670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03472	0.4
59.01389	4.6
61.98822	0.8
62.88763	0.4
63.02408	3.5
65.00329	6.8
71.01401	2.2
71.05032	0.4
71.57255	0.6
72.99306	2.1
73.02936	1.2
80.50877	0.4
83.01394	4.7
85.02959	1.1
87.00874	0.4
89.02428	1.5
93.03478	1.9
95.01372	0.6
97.72302	0.3
100.98130	0.4
101.02450	1.8
107.01402	13.0
108.02225	0.5
109.02945	1.1
111.00885	0.8
111.04544	0.6
113.02443	0.9
117.03478	0.7
119.03512	0.8
121.02970	10.9
123.04514	1.7
124.01713	0.8
125.02445	2.1
133.02968	4.8
135.04558	2.2
137.02420	1.0
137.06024	0.4
138.01938	1.5
139.00323	0.6
139.03999	0.5
140.01151	0.6
141.01515	0.7
145.02939	1.7
148.01656	0.7
149.02440	1.6
151.00386	52.4
152.00742	1.8
153.05551	0.8
154.05878	0.4
155.10738	1.0
159.04524	0.4
161.02458	12.6
161.04498	0.7
162.02769	0.6
163.00400	1.2
163.03993	1.4
164.01132	0.8
165.01941	0.4
168.00676	2.4
169.01431	4.4
170.01738	1.3
172.01634	0.4
178.99883	22.9
179.03429	1.5
180.00256	0.7
185.02393	0.5
187.04036	0.5
193.01427	1.6
197.04533	0.9
201.05646	0.5
203.03555	0.6
211.03955	0.5
227.03447	0.9
227.12965	0.7
228.00641	0.6
229.01357	0.8
229.05077	0.9
239.03282	0.5
243.02698	0.4
244.00006	0.7
245.04524	0.9
255.02968	0.8
257.04568	1.1
272.03320	0.8
273.04095	2.4
283.02179	0.6
283.19177	0.6
298.98413	0.4
299.02002	0.7
299.99072	12.5
300.02658	3.0
300.99875	15.8
301.03485	100.0
302.00208	1.4
302.03845	6.9
330.05130	0.5
367.19711	0.5
463.03802	2.8
463.08707	23.3
463.15961	7.2
463.26242	6.0
464.09085	2.0
464.15604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06688	0.3
50.47553	0.3
52.12393	0.3
58.90334	0.4
59.01345	1.5
59.01606	0.3
63.02388	0.6
65.00334	1.8
65.00575	0.4
68.66358	0.4
69.50432	1.0
69.50858	1.4
71.01344	1.1
74.19022	0.3
76.13239	0.3
83.01363	1.0
85.02927	0.4
88.66833	0.3
89.02391	0.4
91.01876	0.4
101.02438	0.5
107.01411	3.3
108.02216	1.7
109.02966	2.4
121.02957	2.2
125.02386	0.8
135.00854	1.4
143.33893	0.4
147.00847	0.5
148.01691	1.9
149.02373	0.5
150.99208	0.7
151.00380	11.7
152.00810	0.4
161.02391	0.4
163.00398	3.0
163.03989	0.4
164.01074	1.0
169.01381	0.7
178.99866	5.8
183.04515	0.6
187.04024	0.7
192.00746	0.7
199.03957	1.0
200.05058	0.4
201.02077	0.5
211.03999	1.6
215.03465	0.9
216.04280	0.4
226.02689	2.4
227.03557	4.0
229.04950	0.9
239.03635	0.6
243.02992	12.3
244.03365	1.1
244.44571	0.5
245.04538	1.4
254.02202	3.3
255.03014	28.2
256.03427	1.9
257.04547	0.4
266.02127	0.4
271.02490	66.4
272.02948	5.1
273.04056	1.0
283.02444	0.9
299.02011	1.6
300.02756	100.0
300.99911	3.6
301.03476	53.3
302.03848	3.7
331.17453	0.5
343.04642	0.7
463.08978	64.1
464.09311	6.6
487.45923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31648	0.5
59.91542	0.6
65.89547	0.5
71.01354	0.5
75.00887	1.2
90.47789	0.5
92.09055	0.5
95.09427	0.5
117.03458	1.1
125.02446	1.9
145.02975	3.1
169.01421	1.6
172.01666	1.5
173.02240	0.6
175.04041	0.4
185.02480	1.8
188.01117	0.6
199.40125	0.6
200.01143	2.4
201.01945	0.9
203.03632	0.7
205.05058	0.6
213.01863	0.6
216.00572	3.1
226.99892	0.7
228.00636	1.1
229.01456	2.8
229.36075	0.7
231.37672	0.6
241.07312	0.8
242.99411	1.7
244.00192	4.2
245.00781	1.2
255.39056	0.5
257.00980	1.6
260.97717	0.5
270.98865	0.8
271.99628	1.5
275.02097	1.7
282.98959	1.1
283.99667	1.7
298.98352	1.1
299.99121	100.0
300.99863	55.1
302.00244	3.9
307.08148	1.0
315.01456	0.6
343.00952	0.7
413.66141	0.6
419.10257	0.7
419.15701	1.2
463.05203	77.5
464.05432	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	463.0525
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15076	0.6
59.01381	5.6
61.98854	0.6
65.77251	0.6
66.05629	0.6
70.15392	1.9
71.01400	1.7
73.81419	0.5
79.01920	0.7
85.02974	1.6
87.00906	0.7
89.02452	1.8
92.26227	0.5
93.03503	0.6
95.01419	2.8
95.38161	0.5
96.95998	1.4
96.97005	0.6
98.19953	0.7
100.84296	0.5
101.02457	1.4
109.02937	0.7
111.00925	0.8
113.02457	1.2
119.03480	0.6
123.00917	5.6
125.02457	3.8
130.77760	0.6
133.02974	0.8
137.02477	1.7
139.00407	2.0
145.02997	1.8
147.04530	1.4
157.02898	0.7
159.04469	0.7
161.02422	1.2
161.04593	1.0
162.03148	0.6
163.00467	0.8
163.04010	1.3
166.99899	2.8
169.01488	3.4
172.01596	0.7
173.02448	2.4
175.03987	1.4
185.02432	3.1
189.02036	0.9
191.03516	2.0
193.01550	0.6
200.01176	1.1
201.01981	6.4
203.03415	2.9
213.02058	0.7
216.00548	0.7
217.01385	1.4
219.03023	1.4
229.01450	8.7
230.02010	1.1
231.03020	3.2
245.00888	3.0
247.02571	1.2
257.00919	8.5
258.01563	2.0
273.00394	2.1
274.01123	1.2
275.01990	18.1
276.02249	1.8
283.99664	3.0
299.99136	9.6
300.99918	96.2
302.00308	5.8
403.19717	1.0
452.89749	0.7
463.05170	100.0
464.05472	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	463.0522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83954	0.4
64.48277	0.4
69.74417	0.9
69.74831	1.8
71.01385	0.4
74.85929	0.5
79.24248	0.4
145.02928	0.6
148.01761	0.6
155.01846	0.4
160.01640	0.9
172.01662	1.3
173.02467	0.5
185.02399	1.1
188.01060	1.0
200.01144	2.1
201.02025	0.8
216.00690	2.6
221.39420	0.4
226.99966	0.5
228.00687	1.3
229.01505	2.7
242.99312	1.8
243.97849	0.7
244.00099	2.9
245.00749	1.0
257.00934	2.5
258.01303	0.6
270.98746	1.1
271.99625	1.3
282.98819	1.3
283.10956	0.5
283.99640	1.6
298.98376	1.5
299.99124	100.0
300.99863	53.3
302.00259	3.0
411.00482	0.5
463.05200	79.3
464.05594	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	463.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08408	0.7
69.68375	3.8
80.47934	0.6
88.98806	0.9
98.19942	0.8
145.02936	0.9
155.05640	0.6
172.01677	1.7
173.02466	0.7
185.02513	0.7
188.01160	0.9
200.01180	2.9
201.01933	0.9
216.00635	3.8
228.00600	1.8
229.01492	2.0
242.99370	1.3
244.00053	4.5
245.00925	1.0
257.00937	1.6
268.93246	0.8
270.98932	1.0
271.99713	3.3
282.98932	1.9
283.99704	1.6
298.98444	0.8
299.99133	100.0
300.99896	84.3
302.00241	6.1
331.26596	0.7
342.80933	0.7
463.05215	89.2
464.05533	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	462.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38121	1.4
58.07148	1.1
59.01386	22.0
61.35955	1.5
61.98837	15.2
71.01386	12.7
72.99315	1.6
73.02959	3.4
75.00890	2.6
83.01393	2.4
84.60949	1.4
85.02976	3.7
89.02459	5.9
95.01388	3.3
96.87962	1.4
97.02985	3.5
97.17605	1.6
99.00876	2.5
101.02450	7.5
107.01434	7.0
109.02932	1.7
111.00889	4.9
113.02456	3.9
119.04989	1.3
121.03001	2.3
123.00901	20.0
124.01694	13.6
125.02466	39.4
126.02808	2.1
133.02962	27.0
135.04573	9.0
136.98837	2.4
137.02460	5.0
139.00388	6.5
139.04092	3.9
140.01160	4.6
141.01971	2.0
145.02965	2.8
151.00391	15.1
161.02457	59.7
161.04575	3.5
163.03990	2.6
165.01894	2.7
166.99899	2.0
168.00670	4.6
169.01442	50.8
170.01714	2.4
173.02463	2.1
175.03992	3.2
177.01903	1.6
177.05487	2.1
179.03485	5.4
185.02509	2.2
189.02002	1.3
190.02725	1.3
190.23370	1.5
191.03461	1.6
203.03542	3.4
211.02454	2.5
217.01395	1.9
221.04669	2.0
229.01462	2.5
243.02980	3.6
245.00891	2.2
247.02461	4.4
249.04192	1.6
255.03001	7.9
257.00937	2.1
270.99487	2.1
271.02420	16.9
271.04620	1.6
271.99423	3.7
273.00388	5.3
274.00879	2.0
275.02008	4.4
298.98370	1.7
299.99100	35.7
300.02768	29.2
300.99899	46.1
301.03564	58.0
302.00272	2.6
314.00455	2.3
315.01147	3.4
322.90726	1.5
323.07617	4.2
331.17633	2.7
364.04654	1.9
399.12994	100.0
400.13211	10.2
403.19473	3.8
453.03702	3.9
462.07907	10.8
462.19864	3.3
463.05322	20.8
463.12445	32.8
463.22049	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	462.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.8
60.21642	0.4
61.98839	4.3
68.35020	0.4
69.41783	3.1
71.01397	2.1
71.79721	0.4
74.19379	0.4
78.95953	1.5
85.03015	0.5
89.02489	2.1
96.96072	0.5
96.96967	2.9
101.02520	1.0
105.05872	0.4
107.63017	0.4
113.02538	0.5
123.00895	0.6
125.02446	2.2
126.02834	0.4
135.04518	0.4
140.21274	0.5
165.34901	0.5
167.10791	4.5
168.11134	2.6
169.01508	1.3
200.01141	0.5
233.06599	0.5
244.00093	0.5
246.09296	0.7
258.09277	0.7
262.08710	1.2
265.11557	0.4
274.08856	1.6
283.99820	2.1
286.08810	0.9
290.08325	1.4
299.99155	9.0
300.99918	8.7
301.03360	0.6
301.07288	0.8
301.51031	0.5
302.08096	2.7
309.00479	0.6
318.07709	1.9
330.07657	1.0
346.07294	1.3
358.07071	0.6
359.01990	1.8
360.01456	2.0
375.03961	0.6
400.04559	4.9
401.05353	2.8
402.06192	100.0
403.06522	9.6
462.08319	74.9
463.04730	4.5
463.09006	5.1
463.16309	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36324	0.2
59.01384	1.1
61.98838	0.8
69.72591	1.1
71.01393	1.0
72.99305	0.3
73.02966	0.3
85.02955	0.3
89.94398	0.2
98.20662	0.2
98.61184	0.2
101.02460	0.6
105.03515	0.2
108.02187	10.4
113.02474	0.4
117.03488	0.3
121.02905	0.2
125.02497	0.4
132.02161	0.5
133.02965	10.3
134.03679	0.4
135.04541	8.2
136.04916	0.2
137.02467	0.3
138.01982	100.0
139.02333	2.6
139.92850	0.2
147.04498	0.4
149.06099	0.7
151.02708	0.2
153.01945	0.7
153.05508	0.2
161.02455	32.5
162.02791	1.2
169.01482	0.4
175.04042	0.4
177.01926	0.3
177.05577	1.7
179.01918	0.3
179.03516	6.7
203.03484	0.5
220.03854	0.4
221.04555	3.2
222.05116	0.3
263.05698	0.5
280.06216	0.3
281.06790	0.3
299.99152	1.9
300.99893	1.8
308.08017	0.2
323.07724	35.1
324.08096	2.9
355.40912	0.2
359.49191	0.2
404.41599	0.2
462.09998	1.3
463.05096	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	461.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58723	0.5
53.44246	0.5
59.01385	100.0
60.01723	1.6
61.98835	0.8
69.51520	3.2
71.01391	5.3
72.15163	0.4
73.02964	0.7
75.27400	0.4
83.49162	0.5
85.02976	1.4
87.00867	0.5
89.02448	4.6
99.85362	0.5
101.02467	3.2
113.02482	1.9
113.06091	1.5
119.03535	1.6
125.02474	0.7
161.04684	0.7
207.10284	0.9
286.00089	0.6
300.99951	0.8
301.12729	3.7
305.16312	0.7
319.14053	2.1
417.22989	0.8
419.21817	0.6
434.37555	0.7
461.21915	6.1
461.33090	1.4
462.22296	1.3
479.92435	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
60.99340	2.2
70.46261	2.0
70.46614	5.4
96.96033	6.3
147.43196	1.7
371.14853	1.8
399.36591	1.9
443.35281	3.5
461.36469	100.0
462.37097	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	461.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82183	0.7
59.01387	5.1
60.99325	0.9
61.98816	1.2
64.48466	0.7
65.00341	1.5
69.48178	5.3
71.01399	4.3
73.02944	1.6
83.01440	0.9
85.02938	1.6
87.00889	1.9
88.00416	1.8
88.98815	6.9
89.02453	19.3
93.03457	1.5
95.01395	1.4
97.02940	0.9
98.20655	1.2
99.00900	1.0
101.02451	2.6
107.01408	3.2
109.02962	2.1
111.00900	1.3
111.08127	0.8
113.02512	1.2
117.03478	5.3
119.05014	3.4
123.00903	3.7
123.04547	15.7
125.02457	10.7
126.02808	1.0
133.02974	0.9
135.04539	2.3
137.02481	2.4
139.00406	1.8
140.01122	1.1
145.02960	22.0
146.03267	1.7
151.00389	1.8
153.01965	2.1
153.05598	13.4
161.02477	2.4
163.00392	2.9
163.04054	3.9
165.01892	1.2
165.05508	1.2
166.99843	1.6
168.00667	6.0
169.01434	16.3
170.01822	0.9
173.02504	1.1
173.08163	1.3
175.03984	1.2
177.04124	1.1
177.05540	0.8
183.04582	0.7
191.03496	1.0
193.46146	0.7
197.08295	1.1
201.02051	1.1
203.03415	0.9
209.00899	1.9
217.01572	1.0
219.03035	1.1
225.05626	1.0
227.03458	0.9
229.01387	1.4
231.03009	0.9
245.00966	1.6
249.04118	1.1
255.03004	81.9
256.03522	8.2
257.00784	0.9
268.03726	5.4
269.04572	21.0
270.05051	1.1
270.98907	2.3
273.00369	1.3
275.02020	2.0
281.04379	1.7
283.02502	56.3
284.03247	38.6
285.03748	3.7
291.01724	1.0
295.02649	0.8
297.04056	52.6
298.04819	59.8
299.05603	100.0
300.06009	5.7
300.99896	9.7
302.00217	1.5
307.08252	15.0
312.99924	1.3
313.03531	1.2
314.06534	0.8
315.01343	1.2
329.05331	2.5
341.06735	3.8
439.04141	8.6
439.54526	2.2
446.08621	4.4
461.10919	98.3
461.24069	2.4
462.11185	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82420	0.9
55.01875	2.0
57.03450	2.0
58.00595	3.4
59.01386	100.0
60.01708	2.3
69.34158	8.5
71.01392	51.0
72.01723	3.6
72.99313	4.3
73.02951	5.5
76.04705	0.9
76.96662	0.9
83.01395	3.6
85.02960	12.5
86.03310	1.1
87.00883	4.8
89.02456	64.4
90.02805	1.3
95.01381	4.8
97.02958	1.8
99.00896	6.5
101.02455	35.9
102.02796	2.2
106.00789	1.1
107.01392	2.9
111.00883	1.3
113.02458	25.6
114.02776	1.4
119.02670	1.3
119.03520	27.3
121.02940	1.8
122.03758	1.2
123.00894	3.9
124.05271	1.4
125.02467	14.8
129.01852	1.3
129.05586	8.7
131.03528	2.5
133.05038	1.4
137.02402	1.3
139.00346	1.9
139.03993	4.1
139.07616	5.3
140.01189	1.4
143.03520	7.1
147.06647	6.5
149.04610	2.0
151.00359	1.4
157.02977	1.6
161.04570	11.2
162.04855	1.1
166.99751	1.5
168.00705	1.4
168.07884	2.2
169.01448	17.8
170.01704	1.1
172.01668	1.8
175.04056	1.2
179.05621	18.2
183.03027	1.4
191.10745	2.2
199.00415	1.7
201.01877	1.2
203.03493	1.9
203.10802	1.8
211.02467	4.4
221.11810	2.0
227.11206	1.7
229.01485	2.2
239.13107	1.1
244.00142	1.0
245.00848	1.6
247.02390	2.1
257.00876	1.3
265.03519	1.5
270.98965	1.5
271.04608	3.2
275.01984	3.0
298.12857	1.4
298.98306	1.2
299.13312	4.6
299.99130	27.6
300.99826	14.1
309.11948	40.3
310.12131	2.0
326.97693	1.7
327.01410	1.7
343.01004	5.1
352.99677	1.6
355.98090	1.7
371.00446	10.4
401.18268	15.0
402.18311	1.2
415.03207	1.4
433.04401	1.2
443.02637	3.4
461.03583	32.5
461.12955	44.9
461.18518	20.4
462.03922	3.7
462.13022	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.0
58.00601	2.8
59.01383	100.0
66.57494	2.1
71.01386	59.6
72.99313	4.3
73.02951	4.7
85.02960	17.5
86.06966	1.9
87.00873	5.5
89.02454	73.1
93.03481	2.6
95.01392	6.2
96.96038	3.0
97.02965	1.9
98.19851	3.1
101.02455	39.1
106.95781	1.8
109.02949	2.9
113.02468	28.0
119.03502	31.8
123.00884	2.4
125.02464	17.6
131.03496	5.4
137.02444	3.2
138.06853	3.1
143.03560	5.3
145.02959	2.9
151.07666	4.4
153.09235	12.6
161.04575	16.9
165.09206	3.9
167.03476	2.5
168.00655	2.4
169.01439	21.7
179.05609	18.7
182.21669	2.1
193.90608	2.0
201.01935	2.0
203.03444	4.6
203.10786	7.7
206.09517	4.8
211.02501	4.1
219.02992	1.9
221.11839	20.3
232.68575	1.9
239.12904	12.1
247.02405	4.2
265.03458	2.0
271.04553	4.2
273.00436	2.2
275.01913	4.9
284.83975	2.0
299.99014	3.1
300.99908	7.5
309.11926	4.9
369.92419	2.2
401.18369	16.1
402.18588	3.1
423.09424	3.7
461.03763	4.8
461.12454	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	461.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82796	2.0
56.07246	1.7
59.01387	18.4
60.99325	2.6
61.98821	2.6
66.30081	1.9
68.58985	1.9
71.01392	12.1
71.57727	3.7
73.02960	5.1
83.37604	2.2
85.02958	5.9
87.00890	5.6
88.00426	3.8
88.98818	20.8
89.02459	56.7
93.03462	3.1
95.01385	6.5
99.00877	5.0
101.02451	10.3
107.01407	5.6
109.02942	2.6
111.00863	4.2
113.02441	3.7
117.03485	23.0
119.05064	14.2
120.13116	1.8
123.00864	8.2
123.04542	81.6
124.04874	4.1
125.01538	2.1
125.02464	37.7
126.02789	2.7
128.62053	2.1
135.04514	7.2
137.02487	6.1
139.00432	3.7
140.01250	2.6
144.86278	2.2
145.02971	97.7
145.04114	5.5
146.03284	4.7
147.04590	2.4
151.04027	2.3
153.01971	6.7
153.05589	73.1
161.02414	4.5
161.04550	3.6
163.00420	9.5
163.04028	14.2
165.01996	3.4
166.99901	3.1
168.00667	15.6
169.01456	52.8
169.02850	4.7
170.01703	4.9
173.02414	2.0
173.47141	2.2
177.04077	3.0
187.04016	3.1
189.02036	3.5
191.03534	3.5
201.02037	2.4
203.03418	2.6
209.00946	5.7
217.01315	2.6
229.01436	5.0
230.01865	2.3
245.00916	2.8
255.03003	81.8
256.03528	8.3
257.01044	2.5
268.03967	2.8
269.04526	11.3
270.98895	3.9
273.00436	3.8
274.00827	2.6
275.02002	4.9
283.02533	63.6
284.03149	21.3
285.03833	2.7
297.04095	32.8
298.04794	35.5
299.02271	2.5
299.05606	46.9
299.99106	3.8
300.06009	3.0
300.99902	34.4
302.00128	4.9
307.08234	69.9
308.08661	4.0
312.99927	3.2
313.03394	3.1
314.00690	2.8
329.05212	9.0
341.06677	2.2
342.11255	2.1
416.13541	4.1
439.04037	21.4
439.54318	12.8
440.04904	2.3
446.08667	11.5
461.10928	100.0
461.24170	6.4
462.11072	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	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55016	2.1
57.03424	2.4
58.00586	2.9
59.01385	100.0
71.01388	56.8
72.99311	5.5
73.02958	5.6
81.03490	2.1
83.01381	4.2
85.02968	13.3
86.03309	2.1
87.00887	4.4
87.27340	2.0
89.01938	3.2
89.02455	49.8
93.03470	4.4
93.76981	1.9
95.01388	6.7
97.02959	5.4
97.11520	1.9
98.21876	1.7
99.00901	5.2
99.24935	2.0
101.02444	31.8
103.03986	2.1
107.01410	8.6
107.04996	2.5
109.02911	2.6
109.06544	2.1
111.00867	3.6
113.02451	19.4
119.03522	17.9
119.05063	3.7
119.52576	2.3
122.03738	2.6
123.00893	16.3
125.02460	57.7
127.00351	3.1
129.84793	2.0
136.05339	3.2
137.02480	2.6
139.00378	4.4
143.03513	2.1
145.02916	3.2
147.04572	3.3
147.06664	14.4
149.02382	2.5
149.06061	4.5
149.09689	2.7
151.00352	8.8
161.04597	14.6
164.01218	2.3
165.09225	3.7
166.99677	1.9
168.00618	6.2
169.01453	82.8
173.02473	2.5
175.03952	5.8
176.08452	2.4
177.01921	2.4
177.05559	5.5
177.09135	2.8
179.03391	2.1
179.05598	2.9
182.04111	3.2
191.03534	4.9
191.10815	15.0
200.03107	1.9
201.02011	4.4
203.03516	8.6
203.10626	2.2
209.11798	17.9
211.02460	17.6
211.04361	8.6
217.01399	2.6
218.02078	2.8
219.03026	2.4
221.04671	2.6
221.11832	15.3
229.01323	5.6
231.02986	2.3
239.09245	17.1
239.12921	39.1
240.09489	2.1
240.13231	2.6
245.00850	4.9
246.01529	2.3
247.02480	12.4
248.03223	4.3
249.04044	7.9
257.01065	4.8
265.03516	8.8
269.10315	6.2
270.98828	2.2
271.04550	16.5
273.00360	4.9
275.01987	15.4
291.01410	2.8
299.99054	6.4
300.99918	35.8
302.00183	2.6
303.59268	2.1
307.10245	3.9
309.12012	15.4
313.05545	3.4
355.03958	4.5
371.00046	2.8
373.09763	9.9
383.16998	6.1
401.18176	70.1
402.18472	8.4
409.07806	2.5
417.04752	2.8
439.04050	3.4
440.04919	4.4
461.03275	8.5
461.12521	54.9
462.04080	3.7
462.12842	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
57.03463	1.3
58.00594	2.7
59.01386	73.0
59.09746	1.2
61.98822	3.3
69.03458	5.9
69.30212	2.3
69.30619	9.6
71.01391	62.4
71.96535	1.4
72.99316	3.3
73.02955	18.0
75.00872	3.5
81.03458	2.6
83.01382	4.0
85.02932	6.5
85.22915	1.3
87.00887	2.2
89.02455	100.0
93.03464	1.3
95.01396	3.8
96.96970	2.1
97.02959	10.9
99.00888	21.7
100.32448	1.3
101.02454	33.8
113.01759	2.0
113.02453	8.2
115.04031	4.1
119.03465	2.1
125.02467	38.9
131.03529	11.4
132.46364	1.3
135.53334	1.4
143.03491	4.1
149.04578	31.2
153.01910	1.8
154.01485	3.5
161.04544	3.7
167.10803	18.2
191.05696	10.8
191.10814	3.0
204.35452	1.3
209.11815	4.9
212.94478	1.2
219.68602	1.3
221.11807	2.5
233.06677	19.0
239.12935	2.0
275.07477	1.6
293.08838	25.8
294.09073	2.7
393.06689	1.3
402.06036	4.2
423.22437	5.1
461.10928	2.3
461.19519	3.2
462.08426	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	461.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.1
58.46664	1.1
59.01384	13.2
61.98823	4.3
65.00343	1.4
67.01867	1.2
69.03454	2.9
71.01396	12.0
71.56823	1.9
73.02946	4.8
83.01398	1.3
85.02956	5.1
87.00875	1.7
89.02458	4.8
93.03476	2.9
95.01389	4.9
97.02956	3.1
99.00874	2.1
101.02443	8.3
107.01420	6.2
107.05051	2.3
108.02209	1.9
108.05774	2.7
109.02969	22.7
109.06608	1.7
111.00893	3.1
111.04539	2.0
113.02447	4.5
113.06130	2.8
117.03441	5.6
119.03632	2.1
119.05038	47.6
122.03738	1.9
123.00916	7.0
123.04535	1.8
123.08173	1.9
125.02465	28.9
125.06075	4.5
126.02759	1.7
127.36045	1.1
133.02960	3.2
134.03757	2.8
135.04544	99.9
136.04845	2.6
137.02501	5.8
137.06024	2.6
138.06902	3.8
139.00363	2.6
139.07657	11.3
145.02965	16.7
149.06078	1.2
151.07657	23.1
152.01172	1.3
152.04761	4.0
152.08426	8.1
153.01961	31.4
153.05562	2.6
153.09192	4.8
161.02464	4.5
161.04593	2.9
163.04025	18.1
163.07622	1.4
166.99858	2.3
168.00586	3.0
169.01443	35.3
170.01791	2.3
175.03964	1.9
179.03510	100.0
180.03891	5.7
189.01933	2.1
191.03482	3.6
197.02246	1.2
201.12831	5.3
203.03477	2.6
203.10788	1.8
204.11615	10.9
217.01366	2.9
219.03006	1.6
219.13943	19.4
220.14015	1.3
243.79221	1.2
245.00851	3.2
247.02483	9.7
249.75044	1.4
263.12900	57.6
264.13205	3.4
270.98868	5.0
271.02234	1.3
273.00436	8.1
275.01990	2.2
281.06674	6.2
283.99634	1.4
285.04013	3.9
291.01459	2.9
297.06158	19.2
298.98355	5.0
299.98895	1.9
300.99951	7.9
302.00372	2.2
307.08258	4.2
311.01764	1.8
313.00107	2.0
314.00604	4.8
329.16074	1.4
373.14511	1.9
401.21710	1.4
417.11935	2.9
425.18515	1.8
453.03754	1.7
461.11118	23.5
461.20294	4.9
462.11209	2.7
462.62869	1.2
472.09375	1.1
480.43326	1.2
481.79297	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53284	1.4
55.01868	3.2
55.43061	1.6
57.03448	2.2
59.01385	68.4
69.03452	2.4
69.48907	2.2
69.49319	8.4
71.01009	2.6
71.01389	44.5
72.28736	1.7
72.99314	3.8
73.02955	15.6
74.99083	2.2
78.39345	1.6
78.95922	2.2
79.01926	2.0
83.01396	9.1
84.09242	1.6
85.02954	20.4
89.02446	8.8
95.01405	4.6
97.02971	2.2
98.19894	3.0
99.00883	6.8
101.02457	35.9
107.01411	4.7
107.05094	1.4
111.00872	2.8
113.02472	20.0
119.03477	3.3
119.05042	2.0
123.00871	6.7
125.02465	38.4
131.03519	25.7
137.02470	1.8
139.00392	2.8
143.03464	2.6
145.02983	2.3
147.04518	2.7
147.06656	2.8
149.02441	1.7
149.06084	2.7
150.03186	2.4
151.00365	2.5
156.84224	2.0
159.02982	4.4
161.02516	2.6
161.04567	24.2
165.01938	1.8
165.05600	2.1
168.00645	4.6
169.01447	55.3
170.01935	1.7
173.02525	3.2
175.04025	4.0
177.01965	1.8
177.05579	3.0
178.49022	1.5
191.03569	3.4
192.00578	1.8
200.80666	1.7
201.01822	3.0
203.03467	4.6
205.01480	1.9
208.02696	1.6
211.02480	4.0
217.01401	1.9
219.02931	1.8
221.00758	1.7
229.01463	3.4
231.03076	1.9
239.09174	3.4
245.00897	2.8
247.02464	7.3
249.04063	3.2
257.00928	2.9
265.03494	5.8
267.77145	1.6
269.10327	100.0
270.10626	8.3
271.04581	7.3
273.00381	5.0
273.71124	1.6
275.01910	9.5
283.99570	2.1
291.01013	2.3
293.00540	1.6
299.99054	6.6
300.99847	24.6
302.00339	2.0
309.12015	12.0
390.39954	1.7
401.14417	20.2
409.08215	1.8
440.04773	5.1
453.03995	1.7
461.03516	4.9
461.13123	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	461.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.6
59.01387	8.6
59.54952	0.6
61.98862	1.4
67.01907	0.7
69.03495	1.2
71.01398	6.0
71.56807	1.0
72.99358	1.0
73.02989	1.2
74.40324	0.6
75.00919	0.8
79.01911	0.8
81.03520	0.8
83.01431	1.1
85.02990	1.6
87.00921	0.7
88.05388	0.6
89.02498	2.1
93.03478	3.8
93.32692	0.7
95.01450	2.1
95.05061	1.0
97.03001	1.2
99.00920	1.8
101.02480	2.8
107.01378	4.0
108.02171	0.6
109.03005	1.7
111.00925	3.4
113.02510	2.1
117.03480	21.0
117.04286	1.3
118.03799	0.7
118.98221	0.7
119.03626	0.7
119.05042	16.3
119.05818	1.2
121.02996	2.1
122.03743	0.8
123.00902	6.1
123.04538	77.8
124.01672	2.9
124.04881	2.0
125.02463	39.2
126.02794	1.2
127.00432	0.9
133.02994	2.8
135.04512	1.3
136.98787	2.1
137.02455	8.3
138.01974	1.3
139.00403	2.9
139.02299	0.7
140.01183	4.2
141.26569	0.7
145.02968	100.0
146.03287	3.5
147.04536	2.6
151.00362	1.1
153.02039	4.8
153.05588	75.1
154.05920	2.9
158.84204	0.9
159.80287	0.7
160.04050	2.2
161.02448	7.2
161.04620	0.7
161.06052	1.0
163.00362	5.1
163.04028	16.0
165.01939	2.0
166.99915	1.5
167.84544	0.7
168.00655	16.3
169.01443	49.0
170.01804	2.0
173.02434	1.2
175.03952	1.7
177.01840	1.4
177.04059	1.6
179.03456	1.3
185.02400	1.1
187.04012	1.4
189.01952	1.4
191.03499	1.6
193.01230	0.8
198.06729	1.0
201.01875	1.0
203.03438	0.7
206.99312	0.8
209.00993	3.2
211.02419	2.7
217.01138	0.9
219.02971	1.3
229.01248	1.4
235.02245	0.7
241.07303	6.0
242.07970	0.9
245.00720	2.3
245.03763	0.6
247.02518	0.8
247.05960	1.3
249.03903	0.8
255.03023	10.6
256.03433	1.8
257.00931	1.1
265.07169	0.7
269.04678	3.2
270.98734	1.2
273.00305	1.5
275.01938	3.0
283.02444	8.0
284.03275	5.2
285.03690	0.8
297.03937	7.7
298.04788	8.3
298.98236	0.9
299.05603	17.2
299.18329	0.8
300.05832	1.3
300.99890	16.5
302.00204	1.3
307.08252	73.4
308.08649	5.7
313.05359	2.2
314.06415	1.5
315.10562	2.0
323.07550	1.0
329.05164	5.2
341.06808	0.8
376.02206	1.3
401.21680	0.7
416.12991	1.6
439.04150	11.4
439.54401	4.3
457.84525	0.7
461.04178	1.1
461.10211	22.4
461.19998	3.4
462.11069	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1097
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
53.22755	0.4
55.01877	0.7
59.01388	6.7
61.98808	0.4
64.11307	0.3
65.77924	0.4
66.95828	0.3
67.01897	2.2
69.03469	1.1
69.23772	2.0
69.24204	1.6
71.01389	7.3
72.99309	1.0
73.02964	0.5
74.34863	0.3
74.36208	0.4
74.48544	0.4
75.57630	0.3
79.01903	3.1
81.03490	0.4
83.01398	0.7
85.02971	1.3
87.00870	0.5
89.02461	1.2
93.03455	0.4
95.01409	3.5
96.99329	0.5
97.02954	1.4
98.19916	0.6
100.32456	0.4
101.02460	1.6
103.05555	0.7
107.01398	11.6
111.00910	1.4
113.02447	2.1
115.05547	1.4
117.03464	0.4
119.05075	0.5
123.00901	34.6
124.01152	0.6
124.01768	1.1
125.02464	38.1
126.02777	1.5
131.05043	4.8
133.06627	1.8
136.98814	1.0
137.02463	1.6
139.00391	9.0
140.01196	1.9
141.01955	4.0
145.06610	0.8
147.04539	22.5
148.04907	1.0
151.00389	26.2
153.01968	1.9
155.03487	0.5
161.06096	29.8
162.06476	1.1
165.01952	1.0
166.99809	0.5
167.03502	0.7
168.00659	4.4
169.01443	63.0
170.01814	2.2
181.01453	0.9
183.02959	1.3
189.05583	4.3
193.01465	1.6
211.02501	11.8
212.02806	0.4
223.02477	0.5
253.03633	2.6
254.22684	0.4
254.98009	2.0
313.05667	9.5
314.05957	0.5
401.08884	1.9
461.10934	100.0
462.11273	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	461.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07723	0.5
59.01380	4.0
64.21252	0.6
71.01390	3.0
72.99305	0.5
73.02964	0.6
85.02958	1.3
93.03516	1.2
93.45692	0.5
95.01399	1.1
95.05031	0.9
99.00890	0.6
101.02440	1.4
103.03976	0.5
107.01405	1.0
108.02159	0.6
109.02952	4.2
110.03265	0.7
112.67010	0.5
113.02451	0.9
117.02650	1.1
117.03476	21.6
119.03702	0.6
119.05040	16.0
121.02958	1.4
122.03813	0.8
123.00931	1.2
123.04540	75.8
124.04864	2.2
125.02457	6.7
127.69946	0.5
133.06601	0.7
134.77034	0.5
137.02486	1.2
139.00351	0.8
145.02968	100.0
146.03328	4.3
152.01131	0.7
153.01997	5.8
153.05589	74.1
154.05994	2.5
161.02515	0.8
161.06075	1.2
163.00371	1.1
163.02756	1.0
163.04041	14.9
166.99818	0.6
168.00633	1.5
169.01451	9.1
175.04002	1.6
177.04140	0.6
187.04019	1.9
195.02985	0.7
195.06795	0.6
195.99609	0.5
205.05121	0.7
209.00946	1.0
219.06517	0.6
227.17537	0.5
229.45724	0.8
231.02997	0.7
247.05884	1.0
255.02966	5.3
275.01999	0.7
281.19009	0.6
283.02444	3.3
284.03110	1.4
297.09610	0.7
297.97659	0.8
298.04739	1.1
299.05560	1.0
299.98856	0.7
300.99924	4.1
302.00146	0.8
307.08240	70.2
308.08566	4.9
315.07413	1.1
315.10809	1.9
329.05148	0.9
376.02469	0.6
401.21875	0.6
416.13199	0.8
439.04138	2.4
439.54126	0.9
446.08850	1.1
461.09576	6.5
461.15103	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	461.1459
Annotation	CHEBI:65664
Peak:m/z	Relative Intensity
50.69280	0.5
51.02926	0.5
57.58578	0.6
59.01393	3.5
61.98827	0.6
67.01881	0.6
69.39845	4.8
71.01398	2.3
73.02958	0.8
73.94579	0.5
85.02955	1.4
91.31210	0.6
93.03507	0.9
95.01357	0.7
95.05054	0.9
98.19846	1.0
101.02476	1.0
107.01403	1.1
109.02957	5.6
110.78010	0.5
111.00928	0.6
113.02416	1.0
117.03475	19.7
118.03836	0.9
119.05037	15.0
120.05376	0.6
121.02964	1.2
122.03757	1.2
123.00914	1.4
123.04537	75.3
124.04863	2.4
125.02459	5.4
135.04533	0.8
137.02472	0.8
139.00362	0.8
143.12016	0.6
145.02963	100.0
146.03307	4.1
147.04553	0.8
151.04091	0.5
152.01089	1.1
153.02007	6.4
153.05586	74.3
154.04694	0.7
154.05925	2.6
161.06145	1.1
163.00435	1.3
163.04021	13.5
165.01889	0.7
168.00630	2.1
169.01476	7.1
175.03867	0.6
183.65302	0.6
187.04005	1.5
205.05028	0.8
209.00948	0.9
238.43742	0.6
247.06116	0.9
255.02982	10.7
255.05437	1.2
275.02100	0.6
283.02557	8.4
284.03064	2.1
297.04034	2.0
298.04736	1.9
299.05524	1.7
299.99002	1.1
300.99878	6.0
302.00269	0.9
307.08246	68.9
308.08542	6.1
315.07227	2.0
315.10867	1.3
329.05118	1.5
334.64026	0.7
416.13351	0.7
439.03989	2.5
439.54245	1.6
446.08356	2.4
461.10269	15.9
461.24316	0.9
462.10767	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	461.1093
Annotation	(-)-Isoscoparin
Peak:m/z	Relative Intensity
59.01381	2.1
61.98818	0.5
67.01900	0.8
69.03466	1.6
69.48640	2.0
71.01386	1.6
73.02899	0.4
79.01903	1.2
81.03452	1.1
83.01397	0.4
95.01394	0.9
97.02978	2.0
101.02462	0.3
104.89628	0.3
107.01381	2.3
109.02991	0.4
111.00904	1.0
113.02460	0.6
115.05569	0.5
119.05045	0.6
121.02953	0.6
123.00898	8.5
124.01693	4.6
125.02457	75.8
126.02774	1.8
127.00377	0.4
128.73351	0.3
131.05014	0.7
133.06624	0.4
135.04572	0.4
137.02454	0.4
139.00368	1.9
140.01196	0.5
141.01958	1.2
145.03011	0.5
147.04533	8.9
147.05681	0.7
148.04890	0.5
151.00377	4.5
151.04089	0.4
161.06082	4.0
166.99878	1.0
167.03503	0.9
168.00653	8.4
169.01434	100.0
170.01758	2.7
193.01422	0.7
195.02849	0.4
211.02466	2.9
253.03613	0.5
313.05624	6.6
314.06015	0.5
349.20316	0.4
397.36859	0.3
450.36014	0.4
461.10916	62.8
462.11240	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	461.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.2
60.99308	1.0
61.22595	0.6
68.76017	0.9
73.02963	0.7
81.07023	0.8
83.01395	0.6
87.00864	1.7
88.00410	1.0
88.98830	4.7
89.02440	10.3
93.03458	2.0
99.00954	0.9
101.02476	1.3
107.01414	1.5
109.03001	1.1
111.08124	0.8
113.02482	1.2
117.03474	3.4
119.05032	2.5
123.00903	1.8
123.04546	6.4
125.02438	5.6
135.04544	1.3
137.02463	4.1
139.00380	0.9
140.01201	0.8
145.02957	9.9
146.03355	1.8
147.03517	0.9
151.00351	1.4
153.02017	1.4
153.05611	6.4
161.02486	1.9
163.00401	1.5
163.04024	2.5
165.01881	0.8
166.99887	0.8
168.00697	5.2
169.01440	7.5
173.08200	1.1
210.04027	0.8
211.04056	1.0
239.03503	0.9
255.03001	65.8
256.03644	8.2
268.03818	4.0
269.04535	17.9
270.04932	1.4
270.99112	0.8
281.04562	2.4
283.02496	51.2
284.03238	37.5
285.03656	3.1
295.02423	0.9
297.04062	50.3
298.04825	60.5
299.05606	100.0
300.05923	7.4
300.99905	4.4
307.08206	5.4
312.06476	1.0
323.07822	1.0
329.05099	1.1
341.06445	3.6
410.92084	0.9
416.13278	0.8
417.14447	1.9
439.04227	1.9
439.54230	1.6
446.08633	1.5
461.10922	84.3
462.11240	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	461.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	1.0
59.01388	9.2
61.98832	5.3
67.90598	0.7
69.03467	1.5
69.23679	7.9
69.23970	0.7
71.01390	7.5
73.02950	2.2
73.89246	0.7
75.00861	0.9
81.03447	0.8
83.01381	1.0
83.04995	0.9
85.02962	3.0
89.02454	2.2
92.01059	0.8
93.03469	2.0
95.01402	2.9
95.53693	0.8
97.02978	2.4
98.20695	1.2
99.00899	1.6
101.02477	4.0
101.03118	0.9
107.01392	2.4
107.05050	1.4
108.05803	1.0
109.02966	15.4
111.00903	1.2
111.04547	1.4
113.02471	3.5
113.06113	1.9
114.08835	0.8
117.03490	3.2
119.05045	32.2
119.05923	1.6
120.05355	0.9
123.00909	3.1
123.04534	1.0
123.08204	1.5
124.01689	1.0
125.02468	17.3
125.06115	1.8
133.02986	1.3
133.28525	0.7
134.03777	4.0
135.04547	90.8
136.04834	3.8
137.02466	2.5
138.06895	1.2
139.00407	1.1
139.07735	5.0
145.02971	9.9
145.08687	0.8
147.04593	1.1
151.07678	10.3
152.04878	1.2
152.08388	2.7
153.01956	24.0
153.09247	3.3
161.02425	1.6
161.04572	2.5
163.00298	0.8
163.04030	13.7
166.99890	1.6
168.00708	1.7
169.01459	20.7
170.01743	1.2
175.03990	1.0
177.02098	1.2
179.03525	100.0
180.03850	3.6
191.03510	1.4
195.02914	0.8
201.02011	0.9
201.12859	2.7
203.03517	1.0
203.10747	1.2
204.11572	4.2
217.01445	1.7
219.13940	9.9
245.00935	1.9
247.02571	5.9
254.34854	0.8
258.01709	0.8
263.12906	27.2
264.13229	1.9
270.99023	2.0
273.00500	3.5
275.01950	1.2
281.06781	2.6
285.04163	1.1
291.01495	2.1
297.06186	14.8
298.98389	3.2
299.05704	1.1
299.99124	1.1
300.99902	3.3
302.00388	1.2
305.14053	1.4
307.08188	1.8
309.14481	1.1
311.02036	2.4
313.00003	1.0
314.00790	2.9
329.16025	1.3
363.03699	1.5
373.15176	1.8
385.05042	0.9
417.11990	1.8
453.03821	1.1
461.10962	19.3
461.20407	4.0
462.11810	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	460.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	3.9
57.03464	3.5
58.00601	2.9
59.01389	55.2
60.01736	0.7
68.99809	0.6
69.03460	0.8
71.01393	57.0
71.23617	0.5
71.33013	0.9
72.99319	5.1
73.02956	14.7
75.00883	2.2
75.01267	0.6
79.53964	0.5
81.03487	0.7
83.01396	8.1
84.37329	0.6
85.02964	22.9
87.00867	4.2
89.02459	26.6
95.01398	5.1
97.02980	1.8
99.00899	20.0
99.01540	1.2
99.04555	0.6
101.02457	55.4
102.02746	0.7
111.00912	1.3
113.02464	26.1
113.03262	1.3
114.02731	0.6
119.03517	10.3
124.07784	0.5
125.02453	3.7
129.01961	3.4
131.03534	1.2
134.06149	0.9
139.00349	0.7
139.04030	0.9
143.03517	3.3
146.09776	2.0
148.07712	1.7
149.04591	1.0
150.09225	0.9
152.10851	0.7
159.03044	3.8
161.04579	20.8
162.09296	1.5
164.10794	2.1
166.08672	0.7
168.10286	3.1
169.01424	2.0
173.04645	0.6
176.07245	0.6
178.08740	4.7
179.05629	2.7
180.10358	1.8
182.11887	3.9
194.11859	1.8
196.09776	4.7
196.54436	0.5
198.11382	2.1
203.10773	1.0
204.10258	0.6
206.11909	0.8
208.09836	2.4
210.11417	1.1
220.09776	1.7
221.11818	0.7
221.35765	0.6
222.11389	2.0
226.10896	7.3
236.12918	1.0
238.10896	10.5
250.10851	2.3
263.07764	1.2
279.07153	3.6
280.12012	1.5
298.12991	28.7
299.13315	1.8
299.99176	3.9
300.99908	1.2
332.18250	0.6
343.00830	0.6
371.00378	1.9
460.18298	100.0
461.03845	5.8
461.12827	1.6
461.18597	10.1
464.73163	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
56.30936	0.9
56.82581	1.1
59.01385	14.3
61.98833	1.9
67.01914	2.5
69.20422	9.7
69.20818	1.6
71.01402	8.6
72.99316	2.3
73.02943	1.9
73.52937	1.0
79.01907	1.4
81.03460	2.4
83.01411	2.0
85.02948	4.4
87.00893	1.7
89.02467	1.5
93.03479	3.0
94.01646	1.0
95.01390	5.3
97.02921	1.5
98.19868	2.1
99.00915	2.8
101.02451	4.4
101.03115	0.9
106.23037	1.0
107.01375	6.3
108.02190	52.3
109.02982	34.0
111.00895	4.8
113.02418	1.3
117.03484	23.8
119.05019	6.8
123.00906	17.5
124.01196	3.8
125.01468	1.6
125.02463	29.1
126.02766	4.9
127.00388	1.4
127.02926	1.4
135.00931	5.4
136.98846	2.0
137.02402	3.8
139.00394	9.7
140.01183	5.3
140.67010	1.2
141.01813	1.7
145.02971	70.3
146.03317	2.8
151.00378	7.0
151.04027	1.9
152.01176	74.7
153.01967	40.2
154.02223	1.2
161.02467	2.4
163.04027	7.4
165.01938	1.8
166.99867	3.4
168.00664	16.5
169.01440	34.1
170.01810	6.6
171.01904	4.5
177.03976	1.5
189.01952	2.0
191.03526	2.2
201.01965	1.5
203.03607	1.6
211.02559	1.3
212.54762	1.1
213.05544	1.5
217.01448	1.5
218.01598	1.3
223.02391	1.2
229.01270	1.7
245.00871	3.0
247.02393	3.0
270.98788	3.2
271.02518	1.7
272.22812	1.4
273.00369	3.3
275.01807	1.7
278.57236	1.2
299.01907	1.4
299.99167	1.1
300.99854	4.8
303.00223	1.0
307.08212	3.0
314.06363	1.1
315.07236	41.3
316.07678	1.9
329.05148	2.6
362.54379	1.2
416.13190	1.5
424.04401	1.4
437.54657	1.3
438.54840	1.6
439.04767	1.7
460.19098	13.1
461.10870	93.9
461.19205	100.0
462.11276	9.5
462.19531	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3117
Annotation	Stoloniferone G
Peak:m/z	Relative Intensity
59.01384	0.8
65.03420	0.4
71.57185	0.7
157.26108	0.5
169.01430	0.5
174.34781	0.5
239.19807	0.5
273.53149	0.5
300.99518	0.5
367.30161	0.7
397.30997	0.6
415.32220	46.8
416.32663	5.8
441.30371	1.5
459.31180	100.0
460.31506	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	460.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97738	0.2
59.01388	1.6
61.98832	0.4
63.76663	0.2
67.01896	0.7
71.01384	1.2
71.56828	0.2
71.57227	0.2
72.63648	0.1
75.00845	0.3
78.95935	0.2
85.02966	0.2
89.02435	0.5
95.01387	0.4
100.07994	0.2
101.02458	0.4
107.01387	0.3
111.00892	0.7
113.02511	0.2
116.05077	4.4
117.03526	0.2
119.03516	0.2
120.99654	0.4
123.00908	1.0
123.63699	0.2
125.02457	1.5
131.03787	0.2
132.04552	0.3
132.79782	0.2
137.02466	0.2
139.00371	0.2
145.02870	0.3
151.00345	0.2
154.01411	0.4
159.03278	0.8
160.04051	100.0
161.02446	0.3
161.02939	0.2
161.04414	4.5
161.93687	0.2
163.04062	0.2
166.99860	0.3
169.01447	1.6
170.01805	0.3
175.03954	0.2
189.02080	0.4
197.10068	0.5
204.03026	5.8
205.03362	0.3
214.99857	0.2
223.11649	0.5
226.05101	0.7
234.09976	0.2
245.01030	0.2
247.02414	0.2
253.12785	0.6
254.04637	1.8
261.00485	0.4
273.00449	0.3
283.13831	1.9
288.99963	0.5
295.13629	0.2
299.99173	0.3
300.99899	0.8
307.13907	0.2
313.14996	0.5
326.14996	0.2
348.07260	0.4
371.15402	0.4
373.16864	0.4
400.09781	0.4
460.08975	12.2
460.15665	2.0
461.03674	0.2
461.09811	1.2
461.18420	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	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84700	0.3
52.52337	0.3
55.01871	0.3
59.01381	2.2
67.01894	0.6
67.28839	0.3
67.40530	0.3
68.99847	0.5
69.03460	0.4
70.07507	0.6
70.07897	0.6
71.01391	1.8
72.99314	0.6
73.02950	0.9
73.05379	0.3
77.61225	0.3
79.01881	1.0
83.01384	1.2
83.21316	0.3
85.02953	1.4
95.01411	1.9
97.02963	0.8
99.00920	0.4
101.02472	1.7
107.01396	3.7
111.00889	2.1
113.02442	0.9
120.75416	0.3
123.00900	12.5
124.01643	1.2
125.02452	12.3
127.00362	0.6
136.98820	1.2
139.00388	4.4
140.01166	3.2
141.01917	1.6
151.00383	9.9
152.00746	0.4
153.01994	0.5
163.04039	0.4
168.00673	2.7
169.01447	15.0
170.01750	0.4
179.03471	0.3
215.61856	0.3
295.32324	0.3
313.05594	0.9
360.73587	0.3
459.18744	100.0
460.19101	12.7
460.25687	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04471	0.5
59.01390	3.9
65.00341	0.6
67.01881	0.7
69.47920	2.7
69.48342	1.3
71.01401	3.9
73.02949	1.5
79.01912	0.9
81.14191	0.5
83.01407	1.2
85.02963	2.0
89.52712	0.5
95.01390	2.0
97.02956	0.6
99.00914	0.7
101.02460	3.1
107.01393	4.1
111.00905	2.1
113.02452	0.8
123.00904	16.9
124.01680	1.6
125.02467	17.3
127.00362	1.5
136.98784	1.2
139.00388	6.0
140.01172	4.4
141.01909	1.8
151.00391	13.4
151.03947	0.6
153.01878	0.7
168.00642	3.8
169.01447	20.4
170.01706	1.0
300.99911	0.7
302.87134	0.5
313.05688	0.9
332.87946	0.5
338.28561	0.5
458.71881	0.7
459.18756	100.0
460.19180	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	459.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03296	0.4
55.01878	0.7
57.03424	0.6
59.01395	3.7
61.90612	0.4
67.01889	1.1
67.76698	0.5
69.03467	0.7
69.30099	1.5
69.30527	2.7
71.01395	3.5
72.99322	0.9
73.02940	1.5
73.88863	0.4
74.20219	0.4
79.01904	1.2
83.01388	1.7
85.02962	1.7
95.01401	1.8
96.95988	0.5
97.02947	0.7
101.02461	2.9
107.01395	3.9
111.00892	2.8
113.02454	1.2
118.64176	0.4
119.96686	0.5
123.00904	14.7
124.01652	1.7
125.02456	18.2
127.00416	1.1
136.98834	1.0
139.00389	6.5
140.01176	4.3
141.01961	2.0
151.00394	11.7
152.00739	0.7
153.01903	0.6
154.99745	0.7
168.00670	3.5
169.01447	20.8
170.01747	0.7
181.05078	0.8
313.05734	1.1
372.14905	0.6
459.18750	100.0
460.19138	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	459.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77683	0.3
55.01883	0.4
59.01388	7.6
59.73164	0.3
61.98835	1.0
63.31952	0.3
67.01909	0.7
71.01389	4.7
72.99327	0.7
73.02950	1.4
79.01922	0.9
83.01394	1.3
85.02963	2.5
87.00890	0.8
87.27770	0.4
89.02448	2.3
95.01402	2.2
97.02967	0.9
99.00878	0.7
101.02461	2.7
107.01402	4.0
107.05019	0.3
110.00113	0.6
111.00904	2.2
113.02462	2.2
119.03486	0.4
119.05026	1.0
123.00903	13.5
124.01616	1.1
125.01528	0.7
125.02467	13.7
126.02876	0.4
127.00347	0.4
136.98840	1.3
138.02031	0.6
139.00403	5.7
140.01192	3.4
141.01927	1.7
145.02988	1.0
151.00392	11.3
151.04039	0.5
153.01973	1.2
161.04514	0.4
163.04010	1.0
168.00659	4.2
169.01439	18.8
170.01740	0.5
179.03569	0.5
191.03528	1.0
211.02460	1.3
228.25894	0.4
253.03571	0.4
253.09338	0.4
271.04721	1.0
305.33997	0.4
313.05722	2.1
459.18781	100.0
460.19128	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.4
59.01389	5.0
61.98823	1.7
67.01891	0.7
68.99832	0.4
69.03454	0.7
69.30868	3.4
71.01398	2.4
72.99308	1.1
81.03487	0.8
83.01382	1.2
85.02979	0.7
87.00880	0.5
89.02454	1.0
93.03457	0.4
94.17674	0.4
95.01380	0.9
97.02980	1.0
98.19936	0.7
99.00915	0.7
101.02426	0.5
101.94858	0.4
107.01427	0.9
110.00114	0.6
111.00888	4.9
111.46621	0.4
113.02422	0.9
113.74609	0.3
119.05045	0.7
121.02950	4.1
123.00890	3.1
124.01694	2.6
125.02461	33.0
126.02792	1.1
127.00383	1.8
136.98824	2.7
137.02467	0.4
137.72304	0.4
139.00388	4.9
140.01169	7.3
141.01823	0.4
145.02989	1.7
151.00397	2.4
151.04047	0.6
154.99916	0.5
161.06100	0.8
163.85283	0.4
165.09299	0.7
168.00655	5.6
169.01442	29.5
170.01816	1.3
176.82457	0.4
209.09700	1.0
227.44820	0.4
253.14537	0.5
282.85364	0.4
285.04147	0.7
297.13498	4.7
301.00140	0.4
379.77255	0.4
459.18747	100.0
460.19125	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	457.3328
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
57.03454	2.0
59.01379	0.9
69.03463	1.4
70.31308	0.9
98.20612	0.3
103.83366	0.2
105.20644	0.2
108.56047	0.2
108.88736	0.2
123.44082	0.3
145.02971	0.3
194.99663	0.2
278.39905	0.2
393.32135	0.4
395.29498	0.3
397.27319	2.7
398.27417	0.3
413.29901	0.5
413.34872	2.9
423.11041	0.3
439.32877	0.5
457.33481	100.0
458.33792	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	457.3332
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.01397	0.9
63.80941	0.4
67.14117	0.5
69.50538	3.9
77.72852	0.5
95.18108	0.6
98.34071	0.6
135.50484	0.5
138.27310	0.5
169.01477	0.6
198.77303	0.5
199.41779	0.5
245.54529	0.5
300.99734	0.6
371.26031	1.6
409.30835	0.9
457.33313	100.0
458.33694	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	459.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	29.4
61.98835	19.3
64.09465	0.6
68.99807	1.2
71.01382	8.1
71.05042	0.8
71.57877	1.1
72.99282	0.8
73.02956	1.8
81.03483	1.1
82.95435	1.1
83.01393	1.6
83.05045	2.6
85.02956	6.3
89.02466	3.1
93.03463	2.7
95.01394	2.1
97.02979	0.8
99.00895	1.4
99.04537	6.0
101.02451	4.2
108.02185	26.3
109.02967	19.3
111.00922	1.6
113.02475	3.6
117.03490	1.2
119.03557	0.8
119.05038	1.6
121.02996	2.2
122.03748	32.5
123.04537	100.0
124.04871	3.7
125.02456	2.6
127.04041	0.8
135.04532	10.9
136.01646	0.8
137.02470	12.0
145.02982	3.3
147.04539	31.1
148.04820	0.8
151.04028	3.5
152.01167	21.9
152.02406	1.4
158.03699	4.2
159.04456	1.9
161.04646	1.8
163.04057	1.2
167.03508	41.8
168.03835	1.4
169.01382	1.6
171.04538	0.8
177.01952	0.8
179.03520	9.0
180.71115	0.7
181.01497	0.8
201.05582	1.1
202.02731	31.4
203.03313	2.5
301.00122	0.8
307.08353	1.2
327.18018	1.3
399.20322	1.9
404.76978	0.9
423.22232	4.5
441.19934	0.8
459.08978	12.0
459.20010	2.3
460.09506	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
57.03425	1.3
57.31845	1.1
58.33601	1.5
59.01389	43.0
71.01396	22.6
71.20168	2.7
72.99300	2.0
73.02917	5.5
83.01358	2.8
85.02948	7.3
87.00848	1.8
89.02454	20.9
95.01350	3.5
96.96013	7.0
99.08172	16.5
101.02458	18.7
107.01389	7.8
111.00865	2.4
113.02493	10.7
118.97977	1.4
119.03532	8.2
119.04964	5.5
120.99585	3.4
123.00881	11.1
125.02472	23.6
126.02686	1.2
127.07608	3.0
129.09232	1.3
131.03416	1.3
135.04544	9.6
136.04872	1.2
137.02397	2.4
139.00345	2.6
140.01106	2.6
141.09180	2.1
145.02895	1.7
145.08720	63.0
146.08961	1.6
151.00258	3.9
153.52460	1.2
161.02405	6.7
161.04514	7.5
163.03998	1.6
163.11301	24.8
168.00661	6.2
169.01451	30.0
170.01649	1.5
187.09607	1.5
211.02493	9.6
219.13904	7.5
235.08275	16.8
271.04718	8.7
272.99911	1.3
300.99731	2.0
307.14008	83.1
308.14044	5.2
313.05478	1.7
323.07425	1.8
372.14090	3.3
386.42758	1.2
421.10983	4.2
459.14603	100.0
460.15149	11.3
481.63126	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	459.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00587	1.3
59.01388	44.1
61.98832	2.2
69.21556	5.9
69.21983	5.0
71.01390	24.6
72.99301	2.7
73.02960	2.7
82.51086	1.0
83.01385	2.9
85.02955	6.4
87.00904	1.6
87.04567	1.5
89.02459	15.4
95.01384	2.7
96.96008	5.4
99.08164	16.2
100.08498	1.2
101.02467	17.5
107.01417	8.3
111.00930	2.2
113.02468	9.1
118.98067	1.3
119.03510	7.1
119.05069	4.0
120.99660	2.9
123.00886	10.0
124.01646	2.4
125.02463	28.6
127.07623	2.0
129.09242	1.8
135.04546	6.4
137.02477	1.2
139.00375	3.0
140.01155	3.0
141.01913	1.1
141.09219	1.1
143.03494	1.8
145.05145	1.6
145.08723	59.7
146.09059	2.2
151.00377	4.8
161.02519	5.1
161.04587	6.8
163.11310	26.5
164.11691	1.3
168.00656	5.7
169.01451	29.4
170.01755	1.9
177.01778	1.1
187.09871	1.4
201.12749	1.2
211.02475	8.8
212.02750	1.0
219.13925	8.0
220.14436	1.0
231.38936	1.1
235.08266	16.9
247.09550	1.3
271.04620	8.6
279.12247	1.2
300.99786	3.6
302.00558	1.4
307.14029	71.8
308.14279	4.3
313.05658	3.6
323.07730	1.8
333.58713	1.2
372.14624	6.3
416.13702	2.2
421.11188	2.4
459.14493	100.0
460.14902	9.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	42.3
61.98831	32.2
69.56364	46.1
70.27402	5.3
70.54815	5.7
71.01376	24.2
73.02967	14.4
75.89780	6.0
83.32278	6.2
85.02947	12.3
85.55556	5.2
87.82007	6.1
89.02473	16.8
101.02470	25.4
107.00320	6.0
110.89639	5.4
113.02460	18.6
113.35058	6.4
123.00893	10.3
125.02457	21.6
145.02937	14.9
161.04506	6.7
169.01430	15.1
213.09216	11.7
257.08176	18.3
257.84320	6.3
289.16656	14.6
295.11920	45.1
421.20889	100.0
422.21188	7.8
457.17676	73.0
458.18857	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	457.1985
Annotation	Kopsilongine-N-oxide
Peak:m/z	Relative Intensity
54.54527	0.8
59.01382	4.0
61.98836	1.0
65.99871	1.1
69.40887	5.4
69.41293	1.5
88.49117	0.9
91.58774	0.8
95.05036	1.4
107.06580	0.8
110.06120	3.1
122.06133	15.9
139.56061	0.8
144.04655	0.9
157.80101	0.9
158.02481	2.5
160.04004	2.3
162.05692	1.0
169.01462	1.1
170.09801	1.3
181.12424	0.8
186.01982	58.0
186.05455	4.5
186.12856	0.9
187.02750	5.9
188.03557	4.1
188.07265	1.0
214.08733	2.4
214.12349	2.4
215.09518	4.6
218.04594	90.0
219.01729	1.6
219.05101	7.8
230.11841	6.2
244.09946	4.0
258.11343	8.4
259.11533	1.2
261.10089	2.0
273.10080	4.3
273.13733	2.5
274.10934	6.5
274.13861	1.3
275.11246	0.9
297.08664	1.3
304.12073	1.6
305.12680	12.8
309.09015	4.7
317.12650	5.4
318.13181	1.0
323.14005	1.1
327.09921	2.0
349.11603	6.7
350.12173	1.1
351.17184	1.1
383.19830	7.5
395.19751	15.4
396.20007	1.8
427.18668	9.8
439.18750	53.4
440.18954	6.5
457.19846	100.0
458.20139	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	457.2268
Annotation	Unknow
Peak:m/z	Relative Intensity
70.78561	0.3
79.02122	0.2
92.93591	0.2
99.00925	0.3
99.74080	0.2
99.92590	5.6
100.93378	4.2
101.93398	0.2
115.92091	100.0
116.92099	4.1
116.92879	5.8
117.92498	0.3
132.92351	0.9
142.94437	0.4
152.94003	0.2
155.95259	0.3
157.62251	0.2
166.41522	0.2
172.95480	4.8
173.95639	0.3
180.31802	0.2
181.04851	0.2
225.19357	0.2
283.26468	0.4
340.65497	0.2
383.19086	0.5
384.19647	0.2
399.18533	0.3
409.20648	0.9
457.22668	4.1
458.22882	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2965
Annotation	CHEBI:68037
Peak:m/z	Relative Intensity
51.55561	0.5
57.03436	2.9
59.01384	9.4
59.88776	0.6
60.55547	0.6
69.03481	0.8
71.14322	1.0
75.73809	0.6
86.50681	0.6
100.32771	0.6
118.62812	0.6
123.00888	0.6
169.95035	0.6
217.00267	1.4
290.35303	0.6
368.02805	0.6
395.29535	1.4
397.27502	27.0
398.27780	2.7
413.30508	17.2
414.31073	1.9
427.32208	0.7
438.98553	0.6
439.27527	4.2
439.33234	1.2
455.75055	0.7
457.28979	100.0
458.29245	14.3
472.21295	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3328
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
55.70833	0.2
56.88193	0.3
59.01376	0.6
61.98824	0.3
68.29040	0.3
70.15836	0.5
70.16224	0.5
88.27294	0.3
110.87177	0.2
138.02803	0.3
140.26982	0.3
169.01524	0.3
217.00426	0.4
234.53081	0.3
321.61105	0.3
411.29083	0.7
412.29700	0.3
439.32483	0.4
457.33310	100.0
458.33676	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	457.3328
Annotation	Platanic acid
Peak:m/z	Relative Intensity
57.47356	0.5
59.01377	0.9
60.00909	1.0
60.73402	0.7
66.09135	0.5
69.43501	2.8
69.43913	1.6
77.64552	0.6
78.96015	0.5
95.91915	0.6
97.68116	0.6
98.19936	1.1
99.07177	0.6
132.25693	0.7
163.06033	0.6
249.18622	0.9
268.85281	0.7
270.29529	0.8
337.21722	3.5
397.31326	0.7
413.34268	9.6
414.34753	1.1
439.32108	4.4
440.31958	0.8
457.33243	100.0
458.33557	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	457.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
57.03448	0.5
59.01392	4.8
67.01897	1.9
71.01391	3.1
72.99319	0.9
73.02961	1.3
74.04179	0.4
79.01905	1.6
83.01392	1.5
85.02969	2.2
87.00883	1.0
89.02450	0.6
95.01402	2.2
97.02984	1.0
99.00892	0.7
99.45321	0.4
101.02456	3.2
107.01401	5.8
110.00100	0.6
111.00894	3.5
113.02480	0.9
123.00903	23.2
124.01789	2.1
125.02465	19.3
126.02763	0.8
127.00397	1.1
136.98807	2.2
137.02460	0.4
139.00389	8.4
139.09138	0.4
140.01192	5.8
141.01955	2.8
143.10829	0.6
151.00392	16.2
151.03975	0.6
153.01945	0.5
168.00664	4.2
169.01447	23.7
170.01756	0.7
179.03477	0.4
181.05090	0.7
211.02487	0.5
313.05591	1.0
354.56326	0.5
457.17197	100.0
458.17520	11.2
473.85330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11979	0.5
55.01882	0.9
56.47195	0.4
57.03719	0.5
59.01387	5.8
67.01901	1.2
69.48251	0.5
69.48537	1.2
69.48940	2.1
71.01385	4.5
72.99330	1.0
73.02951	1.2
75.58244	0.6
78.50950	0.6
79.01900	0.6
79.63503	0.5
83.01393	1.2
85.02963	2.3
85.84949	0.4
87.00935	0.8
88.19279	0.5
89.02469	1.7
95.01397	2.2
98.20713	1.0
99.00927	0.7
101.02453	3.3
107.01401	3.4
109.02987	0.5
111.00890	2.6
113.02468	1.7
119.03510	0.7
123.00896	15.1
124.01713	1.3
125.02460	15.6
127.00386	0.6
135.04483	0.5
136.98824	0.8
139.00385	5.6
139.07697	0.5
139.86823	0.6
140.01198	3.0
141.01978	2.1
151.00385	11.3
153.01973	0.7
163.04033	0.7
166.99940	0.6
168.00647	3.6
169.01433	21.3
170.01733	1.0
211.02556	1.7
219.22952	0.5
232.60829	0.5
271.04651	1.8
300.99918	2.4
313.05725	1.3
323.13556	0.6
373.88333	0.6
397.56241	0.6
457.17291	100.0
458.17679	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	457.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
56.20916	0.7
58.55849	0.7
59.01385	11.1
68.99834	0.8
69.03472	0.8
69.60421	3.9
71.01389	6.8
72.99333	0.7
73.02950	0.8
78.95895	1.4
79.01903	1.3
81.03454	0.9
83.01387	2.2
85.02972	2.3
87.00869	1.3
89.02443	3.7
95.01386	2.4
96.96007	0.7
96.96977	1.5
97.02945	0.9
99.00838	0.9
101.02438	3.6
107.01393	7.7
109.02888	1.0
111.00903	4.6
111.63404	0.5
113.02448	1.7
117.03446	0.6
119.03529	0.8
119.05055	1.7
123.00900	16.4
124.01695	2.8
125.02465	48.2
126.02802	0.9
127.00358	1.8
136.98810	2.3
137.02423	1.7
139.00383	8.2
139.04036	0.7
140.01195	5.4
141.01904	0.9
142.02727	1.1
143.03510	0.6
145.02980	3.0
150.35124	0.6
151.00385	9.1
153.01910	0.9
163.04028	1.9
165.01941	1.7
166.99896	1.0
167.03526	2.0
168.00665	19.5
169.01448	64.7
170.01782	2.3
179.03441	1.2
181.01462	1.1
183.02937	1.4
193.01491	1.1
211.02510	76.8
212.02907	3.3
241.03432	3.0
271.04620	100.0
272.04956	5.6
300.99948	1.4
302.00601	0.7
302.70111	0.6
305.09113	1.1
313.05704	1.1
331.06708	7.4
332.06937	0.8
353.50183	0.7
387.09283	1.5
389.39365	0.7
417.32498	0.6
457.12567	66.1
457.18277	13.4
458.12918	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	457.1719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43553	0.3
55.01875	0.7
57.03459	0.4
59.01379	3.3
62.91578	0.3
67.01880	1.2
67.65526	0.3
69.03449	0.6
69.49834	1.9
69.50243	0.5
71.01390	4.3
72.99309	0.7
73.02961	1.9
74.44800	0.3
79.01896	1.2
83.01396	1.4
85.02965	3.0
89.02480	0.5
95.01399	2.4
97.02965	1.0
99.00882	1.0
101.02460	3.2
107.01394	3.5
111.00885	2.2
113.02486	2.3
118.61473	0.3
123.00903	15.8
124.01734	1.7
125.02459	16.2
127.00367	0.9
136.98813	1.3
137.02455	0.4
139.00385	6.3
140.01183	3.7
141.01967	1.9
143.10764	0.8
151.00385	13.8
152.00711	0.5
153.01947	0.7
163.04124	0.5
165.39812	0.3
168.00662	4.6
169.01439	23.8
170.01801	0.9
175.71016	0.3
178.98378	0.3
179.03522	0.5
181.03482	0.4
181.05060	0.6
211.02542	2.8
253.03465	0.6
271.04608	3.1
313.05588	1.6
406.88022	0.4
411.78644	0.4
421.11438	1.1
457.17178	100.0
458.17502	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	457.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70474	0.7
57.81350	0.8
58.86633	0.6
59.01377	1.1
69.73085	1.3
69.73483	3.6
71.01398	1.7
74.99093	1.0
78.95959	0.8
85.09017	0.8
95.01383	2.4
96.96027	1.7
96.96960	1.3
97.02958	1.2
111.00844	0.9
113.02466	3.2
113.67728	0.8
117.03427	1.0
119.05062	1.1
123.00887	1.1
135.04482	0.8
137.02483	3.1
145.02953	2.2
147.04486	1.4
151.04004	1.9
153.01955	5.2
158.10924	0.8
159.74535	0.7
161.02454	2.6
162.03244	1.2
163.00377	0.9
163.03954	1.8
163.63110	0.8
164.01192	1.0
164.07272	1.1
165.02020	1.6
173.02441	3.8
174.03210	3.0
175.03986	1.9
177.01909	2.6
181.01448	18.2
182.02063	0.8
189.01904	2.2
190.02739	3.3
191.03540	4.0
192.00633	2.8
193.01401	1.6
195.02942	0.9
196.03792	7.6
201.01955	3.1
205.01328	0.8
206.02271	1.9
207.03008	8.3
209.00926	1.8
209.04561	1.2
211.02505	0.9
217.01410	3.5
218.02194	12.2
219.03014	8.2
220.03517	0.7
223.02608	1.8
224.03304	4.9
231.03023	11.1
232.03656	1.2
233.00926	0.8
233.04536	10.8
235.02515	11.3
236.02872	1.4
238.04791	2.9
245.00880	10.5
251.05537	1.1
253.03458	1.2
262.01212	5.5
263.01965	18.5
276.02814	4.4
277.03543	62.5
278.04013	4.3
294.03885	9.9
295.04596	8.8
315.45663	0.8
425.07538	5.2
439.08713	11.5
440.09064	2.4
457.09903	100.0
458.10214	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	455.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
70.88120	1.1
160.10020	0.5
314.42856	0.5
455.35349	100.0
456.35638	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	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
59.62795	0.3
83.47197	0.4
87.08801	0.3
99.26031	0.4
106.28242	0.3
106.76699	0.4
161.96664	0.4
258.35052	0.3
292.40585	0.4
411.32428	0.5
455.35352	100.0
456.35693	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	455.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75738	0.3
61.87453	0.4
87.94367	0.4
124.95766	0.4
135.20056	0.3
149.17674	0.3
342.51614	0.3
407.33334	0.5
451.70822	0.4
455.35333	100.0
456.35690	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	456.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.6
61.98853	0.7
75.02800	0.4
97.83050	0.4
101.02373	0.5
108.02189	11.2
121.02961	0.8
122.02499	0.5
138.01985	100.0
139.02347	2.7
151.02777	1.2
152.03343	0.4
180.03105	1.0
272.40933	0.4
283.46368	0.4
285.82239	0.5
301.00159	0.5
455.31302	4.8
456.31976	4.2
457.33545	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.063
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	2.9
65.79527	1.0
71.01402	1.9
78.95921	1.4
85.03010	1.1
96.95998	2.6
96.96973	2.6
101.02423	1.3
107.01400	1.8
107.05044	2.8
117.03459	2.0
119.05029	3.4
120.52598	1.2
123.00894	3.7
124.01759	1.1
125.02460	9.6
133.02953	1.4
135.04543	24.2
137.02397	2.0
145.02975	6.8
150.03226	5.6
151.00356	6.1
151.03984	3.0
161.02402	1.9
162.02203	0.9
162.03236	37.2
163.04030	70.5
164.01141	2.2
164.04358	3.4
165.97856	1.2
169.01485	7.6
177.01895	2.0
178.02733	7.1
179.03523	38.8
180.03883	1.7
181.85289	1.4
193.98624	1.9
194.99365	8.0
205.01489	3.4
205.05046	2.5
206.02217	54.1
207.03003	100.0
208.03339	3.5
211.02414	4.4
232.00148	2.6
233.00827	3.8
251.01950	3.4
251.05624	3.2
271.04614	3.9
295.01053	1.2
305.96860	1.1
341.08725	13.9
357.04666	5.8
369.08292	26.5
370.08591	2.0
413.07239	15.5
414.07672	1.4
437.43829	1.3
457.06256	92.7
457.13220	4.0
458.06790	8.0
458.12674	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	457.078
Annotation	(+)-Gallocatechin gallate
Peak:m/z	Relative Intensity
57.03455	2.5
59.01383	2.3
67.01876	0.5
69.03452	1.6
69.23129	0.6
69.23544	2.7
71.01399	1.6
72.99299	0.5
78.95914	0.5
79.01878	0.5
81.03448	1.0
83.01395	1.1
87.00904	0.4
89.02455	1.1
93.03463	0.8
95.01406	1.4
96.96017	1.1
97.02977	1.7
99.04552	0.5
101.02467	0.9
105.03461	0.8
107.01403	2.3
109.02950	1.2
111.00911	0.5
111.04571	0.4
113.02441	0.7
119.03539	0.6
119.04952	0.5
121.02991	0.5
123.00910	3.5
124.01698	0.6
125.02457	69.9
126.02812	2.0
133.02975	0.4
133.05072	0.7
135.04512	1.7
136.98949	0.3
137.02448	3.3
139.00392	1.0
139.04030	1.3
140.01135	0.6
143.03503	0.4
145.02969	1.0
149.02452	0.8
151.00397	1.4
151.04045	0.4
161.02461	5.6
163.04045	0.7
164.01181	0.5
165.01958	1.4
166.99829	0.9
167.03485	1.4
168.00652	1.0
169.01440	100.0
170.01779	3.1
173.02502	0.4
175.03938	0.4
177.05623	0.9
179.03531	3.0
185.04552	0.5
193.01434	3.1
199.93686	0.3
201.05539	0.4
203.03627	0.4
211.02487	2.1
219.06619	1.1
221.04605	0.6
229.01508	0.4
234.01161	0.3
235.05995	0.3
235.56354	0.3
251.05637	0.5
265.07095	0.4
269.04645	0.5
271.04663	3.2
287.05557	0.7
300.99716	1.9
305.06680	5.9
305.12170	0.5
306.07022	0.6
313.05737	1.2
319.04608	0.4
331.04657	1.2
457.13699	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91792	1.3
57.03470	1.4
59.01374	5.7
62.94592	1.1
71.01382	2.1
71.56277	1.7
113.02477	2.0
113.10454	1.3
114.18095	1.2
125.02422	1.3
125.87394	2.1
127.87078	2.7
157.86255	2.9
159.86058	2.6
160.84233	1.5
162.83925	3.6
169.01379	2.3
171.10266	1.7
195.14000	6.9
223.13240	6.6
256.13147	1.7
275.20154	5.3
293.21262	100.0
294.21509	7.4
298.45203	1.5
299.99139	3.1
300.99878	1.6
327.98715	3.7
343.01007	15.1
344.01511	2.1
358.03220	4.2
373.05518	11.9
455.20636	1.4
455.31403	16.1
456.32019	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2657
Annotation	Dendronpholide L
Peak:m/z	Relative Intensity
55.01874	0.9
57.03469	1.3
58.00592	1.8
58.53769	0.6
59.01387	37.8
67.85445	0.5
70.03736	0.5
70.57269	1.9
71.01390	23.7
72.99297	1.7
73.02969	1.6
82.52417	0.5
83.01398	2.1
85.02968	5.2
86.09463	0.6
87.00938	0.9
89.02456	19.2
95.01399	1.9
99.00912	0.8
101.02456	12.0
103.16982	0.5
113.02464	7.0
119.03512	6.0
121.02979	1.4
132.58961	0.5
154.61682	0.5
161.04535	0.5
169.99327	0.5
179.14282	0.7
189.30383	0.6
223.13423	1.6
275.20200	5.5
277.21692	1.4
293.21277	22.3
294.21609	2.4
455.26544	100.0
456.26868	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	455.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01372	0.7
61.98846	0.5
81.45336	0.6
83.05025	0.8
96.95938	0.7
115.29288	0.6
129.54770	0.7
152.99539	0.7
158.52310	0.6
164.65771	0.6
190.51312	0.7
320.84167	0.7
409.31183	2.6
411.32614	2.2
419.31445	0.7
437.30322	1.2
455.31705	100.0
456.32117	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	455.3171
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
59.55467	0.3
61.98871	0.4
65.47984	0.4
68.00046	0.4
69.40409	0.8
69.40811	1.9
83.73578	0.3
85.45799	0.3
91.95036	0.3
125.09754	1.0
171.10344	0.5
187.09731	0.4
221.19176	0.4
342.31891	0.4
409.31531	0.5
455.31903	100.0
456.32193	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	455.3173
Annotation	Wilforic acid B
Peak:m/z	Relative Intensity
50.97227	0.6
51.52929	0.7
59.01370	1.3
71.14157	1.5
78.95865	0.7
89.56152	0.6
93.48110	0.6
94.03564	0.6
94.84296	0.7
101.19884	0.7
106.05363	0.7
125.02445	0.8
275.20163	3.4
379.26331	2.3
381.27463	0.8
393.28070	1.7
395.29575	2.1
409.31140	72.6
410.31534	8.4
411.32712	1.9
455.31604	100.0
456.32010	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	455.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.6
57.03456	3.9
59.01384	75.6
61.98820	3.2
68.99802	2.5
69.44392	8.6
69.44801	5.5
71.01389	43.5
72.99323	2.5
73.02959	18.5
74.74004	2.3
78.30193	2.2
78.95903	3.0
83.01009	1.7
83.01397	15.8
85.02959	22.4
87.65176	1.9
89.02454	6.7
89.92250	2.4
95.01380	4.2
95.58278	2.2
96.96010	10.3
97.02976	2.2
98.20595	4.5
98.95587	2.9
98.96391	2.2
99.00877	6.2
101.02454	51.5
102.02712	2.8
103.03976	2.1
107.01387	5.1
109.02914	2.9
111.00902	2.9
113.02438	17.2
117.03484	2.1
123.00891	8.7
125.02466	31.0
137.02437	3.0
139.00342	4.5
140.01227	2.3
143.03572	2.0
145.02942	6.7
147.50890	2.1
151.00418	2.7
151.03960	2.4
153.01923	2.5
159.02953	4.4
161.04552	15.2
163.04004	4.2
168.00633	4.4
169.01466	40.7
170.01764	5.7
175.03990	2.3
177.01999	2.0
211.02444	12.6
212.49042	2.2
247.02289	2.6
249.13443	88.9
250.13901	6.3
271.04581	24.4
272.04984	2.6
275.01907	8.3
300.99844	12.6
302.00284	2.7
362.21790	2.4
395.19229	100.0
396.19510	8.4
454.54654	3.6
455.15884	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.2
57.03450	3.9
59.01388	64.2
71.01389	35.9
71.01819	2.9
71.01890	2.0
72.99303	4.1
73.02953	18.2
78.95933	3.3
80.92612	1.9
83.01395	13.8
85.02966	23.5
87.00903	2.2
89.02468	7.3
95.01433	4.6
96.96037	11.4
96.96998	4.4
97.02960	2.6
99.00910	7.7
101.02454	49.5
102.75751	1.7
107.01421	8.3
113.02457	21.0
119.05127	2.4
123.00879	12.6
124.01717	2.1
124.33421	1.9
125.02460	32.3
126.02836	1.8
139.00352	4.2
140.01193	4.3
141.01956	2.3
142.61638	1.9
143.03600	2.3
147.04562	6.2
151.00365	11.3
161.04558	14.1
163.03996	2.4
163.06119	2.5
167.03510	2.1
168.00691	7.3
169.01437	42.6
170.01828	2.9
191.03529	6.6
208.39513	1.9
211.02467	24.8
211.04137	2.2
249.13463	76.6
250.13863	4.0
254.23853	2.0
271.04611	38.3
271.96790	2.0
302.00290	2.0
395.19235	89.0
396.04773	2.0
396.19684	7.8
454.54916	3.1
455.15753	100.0
456.16141	9.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27900	1.1
58.39812	1.0
59.01385	100.0
60.01710	1.2
61.98838	42.7
69.25511	10.8
71.01393	10.6
72.99316	1.4
73.02942	2.1
75.47900	1.2
78.95969	1.6
83.66166	1.2
85.02947	4.6
87.00883	2.6
89.02447	11.7
95.01379	1.8
96.96040	5.2
97.01178	3.1
97.02972	2.7
101.02450	6.6
107.01392	2.6
109.02945	2.0
113.02486	5.8
113.06113	1.6
119.03499	4.8
123.00928	6.6
125.02469	10.5
126.02822	1.5
133.02948	2.0
135.04553	1.7
137.09689	2.5
139.00381	2.7
140.01146	1.1
141.00130	1.6
143.03520	1.0
145.02946	1.5
151.00368	3.4
153.01900	1.8
161.02444	4.5
161.04572	3.0
161.06046	1.3
168.00699	1.8
169.01443	12.9
173.09680	4.1
174.10481	3.5
175.03979	2.4
179.05600	4.1
187.11273	1.9
189.12865	20.0
211.02496	1.3
215.10786	36.1
215.12868	2.1
216.11081	3.0
217.01430	1.6
233.11836	44.9
234.12111	4.3
238.76797	1.1
239.05640	1.9
245.00917	2.6
275.01630	1.2
293.08765	1.1
301.00000	1.6
313.05664	1.5
437.13440	3.4
455.05740	10.3
455.14871	16.7
455.35623	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56618	0.4
78.11518	0.3
80.57674	0.3
119.10135	0.3
125.02480	1.1
169.01428	0.9
206.72975	0.4
238.41026	0.4
245.00963	0.7
247.02477	1.0
273.00464	1.3
300.99927	1.6
321.98444	0.4
405.31870	0.4
453.33792	100.0
454.34106	14.6
454.40579	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.1
61.98835	4.5
69.79348	0.5
71.01394	1.6
71.57548	0.6
73.02956	0.5
78.95937	0.6
85.02968	0.8
88.98885	0.6
89.02446	1.2
93.03468	0.7
93.48040	0.5
94.00056	0.5
96.96990	0.7
101.02460	0.9
107.04988	0.7
115.18157	0.4
117.03457	0.7
119.05038	100.0
120.05393	3.1
121.02990	1.0
122.06110	0.7
122.72836	0.5
125.02470	0.9
135.68115	0.4
152.07198	2.1
158.09808	0.5
161.04587	0.7
163.04022	78.9
164.04414	2.9
169.01463	0.5
198.33249	0.4
218.04684	0.5
219.51022	0.4
246.11136	0.5
250.61371	0.5
261.01953	0.6
455.02945	0.8
455.18649	2.8
455.35373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47183	0.7
57.03438	2.2
59.01384	49.2
60.01716	0.9
61.98831	6.2
71.01385	6.9
71.57345	1.1
72.99291	1.9
73.02944	2.8
83.01389	1.4
83.05055	0.7
85.02976	4.3
86.69069	0.7
87.04496	1.0
89.02464	4.1
93.03432	0.8
95.01417	1.0
97.02944	3.7
99.00875	1.1
101.02460	4.6
108.08198	2.0
109.02933	0.9
111.00932	0.7
112.46170	0.7
113.02454	6.1
114.70818	0.7
117.03495	0.8
119.03513	2.4
119.05017	1.1
121.02987	1.1
123.04491	2.0
125.02454	2.5
132.02080	0.7
133.02866	0.8
133.06564	0.8
135.04520	0.9
137.02472	1.4
137.09700	2.3
139.04024	0.8
145.02934	1.7
146.08202	1.4
147.11792	1.7
152.07166	1.4
153.01944	0.8
155.10707	0.9
159.08229	1.2
160.01688	2.6
160.09073	0.7
161.04559	2.3
161.09686	1.4
167.03540	1.1
169.01453	2.2
171.08142	0.8
171.11794	1.2
173.09731	10.0
174.10497	9.3
175.03975	3.2
175.10794	0.8
176.04366	1.6
179.03500	0.8
187.11279	3.3
189.12866	47.4
190.13258	2.4
191.05725	1.1
194.12642	0.8
231.13879	1.9
233.11841	100.0
234.12155	5.8
247.13304	0.7
257.08243	0.9
275.13110	2.0
279.11801	0.7
285.04050	3.7
322.86337	0.8
387.16742	1.2
423.00003	1.5
423.27371	0.7
455.09583	0.9
455.19202	5.2
455.35376	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09578	0.6
53.50113	0.5
61.83796	0.5
67.99554	0.5
68.80984	0.5
71.56455	0.7
87.71856	0.4
90.87044	0.5
125.02448	1.1
146.56064	0.5
169.01367	0.8
187.74196	0.4
235.25208	0.5
244.42375	0.5
247.02530	0.7
247.11734	0.5
273.00558	0.7
300.99936	1.3
308.15674	0.5
453.33792	100.0
454.34064	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	453.3379
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
54.28933	0.2
56.65469	0.2
61.41779	0.2
62.97787	0.2
70.06995	0.9
97.06589	0.4
125.02460	0.3
148.58386	0.2
247.02515	0.2
254.83804	0.2
267.54071	0.2
279.23380	0.2
407.33197	1.2
453.33765	100.0
454.34085	16.1
479.02866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.5
71.57650	0.6
89.75657	0.4
107.01401	0.4
111.00910	0.5
117.03503	0.5
118.65649	0.4
125.02455	4.5
126.02756	0.5
145.02985	0.5
163.00299	0.5
169.01413	5.6
173.02429	0.4
175.04082	0.5
176.62106	0.4
182.84058	0.4
189.01923	0.6
189.23976	0.4
189.55833	0.4
205.01236	0.5
217.01456	0.8
219.03175	0.7
229.01479	0.7
245.00963	1.8
247.02568	3.0
249.04041	0.8
255.23381	0.7
256.23679	1.5
273.00330	3.7
274.00693	0.6
275.02032	1.4
291.01654	1.1
300.99951	4.6
302.00171	1.0
407.29559	1.1
453.04556	1.5
453.33838	100.0
454.34143	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	453.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26543	0.3
59.01367	0.3
62.88898	0.3
69.27570	2.7
90.88421	0.3
97.02927	0.3
97.06603	1.1
107.01402	0.3
114.53963	0.3
125.02441	1.6
133.84340	0.3
163.03969	0.3
165.08040	0.3
169.01468	1.3
191.03542	0.5
217.01384	0.5
247.02577	1.1
248.03087	0.3
273.00354	1.5
300.99808	1.4
304.84003	0.3
341.81241	0.3
384.44104	0.3
391.30014	1.6
392.31262	0.3
405.31906	1.0
407.33344	3.2
408.33633	0.4
409.30780	0.4
423.29095	0.6
453.33884	100.0
454.34247	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	453.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	0.3
71.05022	0.3
71.56865	0.2
74.46368	0.1
78.83770	0.1
85.06607	0.2
90.09923	0.1
96.95972	0.2
97.06599	3.4
125.02484	0.9
137.09705	0.2
145.02998	0.1
169.01457	1.2
170.01843	0.2
201.01974	0.2
203.03674	0.2
217.01340	0.2
231.57175	0.1
245.00902	0.4
247.02504	0.8
273.00427	1.0
275.02130	0.3
293.72836	0.2
300.99985	0.9
355.26672	0.3
375.26999	0.4
377.28503	0.2
389.28543	0.9
391.30127	5.8
392.30566	0.7
403.30441	0.2
405.26584	0.3
405.31689	3.7
406.32031	0.4
407.33206	10.1
408.33563	1.2
423.28979	1.3
425.34262	0.3
437.30576	1.1
439.32260	1.2
441.33783	0.4
451.32065	0.4
453.33798	100.0
454.34131	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	453.3372
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
60.99294	0.3
71.05025	0.7
72.04633	0.1
76.98801	0.1
83.05022	0.1
85.06602	0.3
95.05031	0.1
97.06599	3.9
98.06911	0.1
98.20747	0.2
101.08611	0.1
102.47581	0.1
107.01392	0.1
125.02449	0.2
132.85631	0.1
140.09435	0.1
145.02878	0.1
150.55293	0.1
154.94730	0.1
169.01443	0.3
191.14496	0.1
227.86206	0.1
229.01414	0.1
229.68938	0.1
234.51053	0.1
237.96738	0.1
245.00967	0.1
247.02481	0.2
273.00470	0.1
300.99850	0.2
355.26361	0.3
363.26959	0.1
373.25443	0.3
374.26154	0.3
375.26910	0.5
376.27396	0.1
377.28540	0.1
389.28503	1.0
390.28873	0.1
391.30109	6.3
392.30447	1.0
403.30368	0.5
405.31686	4.2
405.37146	0.2
406.31995	0.5
407.33200	11.5
408.33521	1.6
419.29913	0.1
423.28961	1.3
424.29410	0.2
425.34161	0.3
437.30621	1.3
438.30966	0.1
439.32181	0.9
440.32581	0.2
441.28015	0.1
441.33789	1.7
442.34131	0.3
451.32224	1.5
452.32510	0.1
453.33752	100.0
454.34091	14.9
471.35284	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	453.338
Annotation	Unknow
Peak:m/z	Relative Intensity
61.39077	1.0
70.07685	4.1
93.70433	0.9
107.92115	1.2
125.02432	3.4
147.04526	1.1
166.79025	1.1
169.01404	3.8
174.06902	1.1
191.03609	1.4
245.01010	1.2
247.02632	1.4
249.91231	1.1
271.32382	1.2
273.00504	3.6
291.01611	1.2
300.99869	2.7
302.00455	1.4
407.32898	1.2
441.34036	1.1
453.33817	100.0
454.34161	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	453.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16254	1.0
55.01880	5.2
57.03445	3.6
58.00577	1.3
59.01387	40.6
61.98824	4.3
64.40025	1.1
66.44341	1.0
69.22634	7.8
69.23048	2.3
70.71371	1.0
71.01388	45.0
71.05022	0.9
72.40866	1.0
72.99313	1.7
73.02954	16.0
83.01394	10.8
85.02964	25.2
87.00866	3.2
89.02452	22.8
95.01391	2.9
97.02944	1.9
99.00893	8.9
101.02457	61.7
102.02781	2.1
113.02460	24.8
117.03477	25.4
119.03513	5.8
119.04987	7.0
125.02443	4.8
143.03485	4.4
145.02969	100.0
146.03281	2.0
159.03003	3.0
161.02425	1.7
161.04590	17.9
162.04958	1.2
163.04033	7.1
169.01425	4.1
179.05571	2.5
225.54436	1.1
247.02519	2.7
273.00381	2.6
291.18158	41.2
292.18427	2.3
300.99911	3.3
313.28009	1.1
453.22137	55.0
454.21823	7.1
461.44821	1.1
474.35739	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	7.3
59.01385	100.0
60.01720	1.1
61.98837	7.2
62.98154	1.0
65.17480	1.0
69.03445	1.1
69.44162	7.4
69.82222	0.8
71.01390	19.6
73.02955	4.6
78.68693	1.0
83.01379	2.4
85.02955	7.3
87.04521	46.5
89.02463	6.2
91.70464	1.1
95.01385	1.7
97.02969	1.1
98.19797	1.1
98.92406	0.9
99.00867	2.3
101.02460	9.4
103.04021	95.6
104.04337	1.2
107.01416	1.7
108.02178	1.1
109.02948	1.7
111.00897	1.0
113.02484	5.8
117.03502	1.5
119.03463	2.8
119.05021	1.5
123.00874	2.5
123.04597	1.2
125.02470	11.1
126.02781	1.2
135.04500	1.2
143.03458	1.2
145.02946	4.4
149.89917	1.0
155.10822	1.0
157.05042	1.8
161.02519	1.3
161.04610	6.5
163.03874	1.0
169.01431	8.6
169.12921	1.0
175.04002	3.2
190.02698	1.2
191.03406	1.0
199.12512	1.0
203.03487	1.5
216.00699	1.8
231.06540	1.0
244.00223	1.3
245.00900	2.9
246.01563	1.8
247.02588	6.6
247.08194	4.3
271.99564	1.4
273.00378	8.5
275.01907	1.5
285.03946	2.5
289.05634	1.0
291.01648	1.4
301.00006	8.0
302.00287	1.6
305.16028	3.7
307.17722	1.2
321.19040	2.3
338.00204	1.7
393.21021	1.6
393.25409	2.1
453.06165	4.0
453.17566	5.6
453.23309	4.1
454.07220	1.5
454.17383	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55407	0.3
55.01868	0.3
59.01388	2.7
61.98840	0.5
69.07841	0.3
69.31712	0.9
69.32134	1.4
71.01385	2.5
73.02954	0.8
78.65215	0.3
83.01371	0.4
85.02962	1.5
87.00909	0.4
89.02444	2.7
99.00890	0.4
101.02437	1.8
107.01411	0.3
113.02464	0.9
117.03479	28.7
118.03820	1.0
119.05038	6.5
121.02984	0.5
125.02460	1.0
145.02963	100.0
146.03297	4.1
147.04556	0.5
156.64191	0.3
161.04527	0.4
163.04015	7.4
165.05638	0.5
169.01424	1.2
217.01410	0.4
247.02451	0.8
273.00235	0.6
274.01205	0.3
291.01230	0.4
291.18161	0.5
300.99991	0.7
304.06033	0.3
385.39456	0.3
386.63882	0.3
453.21295	48.7
454.21606	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	453.2135
Annotation	Incaspitolide D
Peak:m/z	Relative Intensity
52.59685	0.2
54.70256	0.1
55.01882	0.3
56.76555	0.2
59.01388	2.9
61.98842	0.2
71.01393	2.2
73.02945	0.8
83.01392	0.6
85.02959	1.3
89.02449	0.8
95.01419	0.2
99.00909	0.5
101.02451	2.0
113.02446	0.8
117.03481	28.2
118.03791	1.1
119.03603	0.3
119.05041	5.7
120.05405	0.3
121.02978	0.2
125.02494	0.2
133.02991	0.2
138.01970	0.3
138.99567	0.2
145.02969	100.0
146.03305	4.7
147.04539	0.2
161.04567	0.4
163.04028	7.2
164.04242	0.2
169.01476	0.3
273.00403	0.2
281.70691	0.2
291.19266	0.3
300.99847	0.2
330.21027	0.1
453.21320	45.0
454.21671	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	453.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	1.9
59.01385	85.0
61.98831	3.5
69.03458	2.8
71.01009	2.1
71.01389	34.9
71.32997	1.9
72.99307	3.1
73.02943	2.5
79.01892	2.3
81.03431	1.6
81.04652	1.0
83.01390	3.7
85.02956	7.3
87.00879	3.7
88.11267	1.0
89.02455	51.8
91.36219	1.0
93.03540	1.2
94.76636	1.3
95.01403	7.7
96.96021	13.9
97.02942	3.0
98.40131	1.4
99.00915	2.1
101.02460	21.5
101.17903	1.1
103.10419	1.1
107.01398	17.0
109.02972	2.4
111.00872	4.3
113.02454	12.5
117.03454	3.1
119.03513	13.0
119.05019	2.5
123.00909	14.1
123.04469	1.5
124.01675	2.4
125.02460	83.1
126.02831	6.2
131.03517	38.0
131.04977	1.8
133.02933	3.1
135.04512	1.9
137.02464	4.2
139.00359	4.5
140.01070	1.9
143.03488	3.1
143.59676	1.2
145.02959	7.1
145.94905	1.2
147.04521	5.0
149.02496	1.3
149.04562	20.2
151.00365	4.8
157.02884	1.4
159.04486	1.9
161.02469	5.7
161.04539	6.0
163.00380	2.8
163.04004	4.9
165.01897	3.4
166.36418	1.2
166.99864	3.1
168.00632	5.1
169.01439	100.0
170.01762	6.7
173.02452	6.0
174.03003	1.5
175.04059	6.7
177.01965	2.5
178.99977	1.5
179.03444	2.5
179.05620	18.4
180.04247	1.4
185.02470	2.7
187.04007	1.3
189.01892	5.0
190.02654	3.6
191.03502	9.9
191.05603	13.1
193.01437	1.3
195.06625	1.7
201.01936	7.1
203.03542	10.3
205.01428	1.3
209.00932	1.5
211.02461	4.2
213.01973	1.6
216.00558	1.2
217.01443	11.3
218.02164	2.8
219.03067	5.9
221.04515	1.4
225.07642	1.5
229.01393	8.7
230.02003	1.8
231.02908	4.0
233.98184	1.7
235.02368	1.2
245.00919	11.5
246.01428	3.6
247.02489	30.9
248.02994	5.1
249.04019	5.2
257.01010	6.7
258.01550	2.4
261.13507	8.3
271.04547	3.4
273.00430	28.1
274.00894	3.6
275.02002	17.4
276.02304	2.0
283.99658	2.0
291.01514	7.7
291.22052	1.5
292.01794	1.3
297.02951	1.2
299.99136	2.1
300.99908	66.9
302.00208	11.8
313.05798	2.0
355.03918	3.1
361.45862	1.3
368.02908	1.6
377.03220	5.0
393.17694	9.0
405.15292	1.4
417.04581	1.2
431.04196	4.6
431.54498	1.3
435.05524	1.9
438.53571	1.5
439.03891	4.8
453.03854	24.0
453.13998	37.1
453.20264	2.5
453.27155	1.7
453.53967	10.8
454.04391	4.5
454.14349	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	453.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90365	1.9
59.01385	56.4
61.98835	28.7
63.97994	1.9
71.01392	11.5
71.57391	2.5
72.99327	2.3
73.02958	37.4
75.00876	2.7
78.91891	2.3
79.95732	4.5
80.91692	100.0
80.96526	2.8
83.01398	4.5
85.02959	8.1
89.02483	2.4
93.03433	4.7
95.01422	5.4
96.04344	2.5
96.96017	4.1
97.02950	5.0
99.00878	3.8
101.02419	5.1
107.01401	10.7
107.86105	2.3
108.20138	2.3
109.02999	4.1
111.00920	2.4
113.02462	3.5
119.05025	3.6
121.02962	4.3
123.00892	9.4
123.04548	2.9
125.02460	52.4
126.02820	4.4
132.02234	2.4
133.02975	7.6
134.03719	10.2
135.04498	7.0
137.02444	9.3
138.56323	2.1
139.00406	4.2
145.03014	10.8
147.04462	3.8
151.00407	4.9
152.93274	2.3
153.00725	2.2
157.02922	2.2
159.04512	8.9
160.01640	6.6
161.02455	8.7
161.04591	5.4
163.00371	5.5
163.04031	6.9
165.01866	3.0
166.99857	3.9
167.03540	5.5
168.00676	2.5
169.01443	61.4
170.01787	7.0
173.02446	6.0
174.03157	2.8
175.03995	14.6
176.04504	2.4
177.01920	4.2
179.03503	4.6
189.01923	9.5
191.03461	9.0
191.66266	2.5
193.05054	12.4
197.02249	5.9
201.01906	3.9
202.97011	3.3
203.03508	4.8
209.00896	3.9
216.00659	3.3
217.01414	10.9
219.02998	3.6
229.01329	5.2
231.02977	5.0
244.00026	3.6
245.00926	16.1
246.01389	2.5
247.02489	14.2
248.03116	3.0
249.04048	5.6
255.16034	56.4
256.16235	2.9
257.01025	2.8
270.99066	3.6
273.00424	36.1
274.00653	4.0
275.01852	13.6
276.02390	3.2
289.06006	2.5
291.01370	4.7
299.99167	3.4
300.99924	73.9
302.00436	10.3
328.23856	2.4
393.24835	6.5
438.03671	3.6
453.04016	6.9
453.13318	4.4
453.18088	11.1
453.53464	3.1
454.11386	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	453.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48486	0.6
59.01382	2.0
65.15198	0.7
67.01900	0.9
68.99821	1.0
69.03463	1.4
69.88705	2.9
71.01392	4.7
72.99311	0.7
73.02956	1.0
78.95880	0.7
79.01914	1.4
81.03484	0.8
83.01389	1.0
85.02977	2.1
87.00913	0.7
93.03469	1.4
95.01388	3.8
97.02980	2.1
99.00911	0.7
101.02450	2.1
107.01403	9.3
109.02981	2.0
111.00900	3.6
113.02499	1.4
117.03490	1.6
119.05011	0.8
121.02995	1.0
123.00898	19.2
124.01682	27.5
125.02460	55.7
126.02805	2.4
127.00391	1.1
133.02956	2.0
135.04524	0.8
136.98898	2.4
137.02483	2.1
138.03230	1.4
139.00404	6.9
139.04025	8.6
140.01186	4.8
141.01927	1.5
144.14282	0.7
145.02966	3.1
147.04543	2.6
149.02475	1.5
151.00385	8.1
159.04597	1.2
160.04086	0.8
161.02498	2.5
161.04480	2.3
163.00432	1.0
163.04037	2.7
165.01926	1.2
166.99895	0.9
167.03522	1.1
168.00639	5.6
169.01439	58.2
170.01788	4.3
173.02477	2.8
175.04027	2.8
176.01163	0.7
177.01909	1.2
177.05530	1.0
179.03529	1.1
183.03000	6.1
185.02399	1.2
189.01965	4.9
190.02695	3.1
191.03482	5.0
193.01401	1.2
201.01993	2.5
203.03558	4.5
205.01370	1.0
209.00864	1.3
210.34868	0.7
211.02388	1.2
216.00560	0.9
217.01469	10.1
218.02122	1.9
219.03085	3.8
225.04086	1.6
229.01488	3.2
231.03012	1.1
244.00296	3.4
245.00916	13.8
246.01605	3.3
247.02489	35.1
248.02924	3.2
249.03972	1.8
257.00961	1.0
273.00421	40.1
274.00888	3.3
275.02063	5.0
285.06348	2.1
291.01459	13.3
291.04724	0.9
292.01523	0.7
297.06134	1.0
299.99356	0.9
300.99899	18.0
302.00394	1.9
313.05792	8.0
314.06049	0.8
327.07391	2.0
333.02600	1.6
361.13861	0.7
363.03769	0.7
368.02878	1.2
377.03430	1.6
393.04675	3.3
409.07834	2.1
417.13834	0.8
431.04388	0.7
438.08438	0.8
438.53540	0.9
439.04150	1.1
453.10538	100.0
453.54163	3.0
454.05075	1.4
454.10852	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17862	0.6
63.30311	0.6
63.83430	0.7
75.11291	0.6
105.03484	1.2
106.04282	0.9
107.01441	0.9
119.05065	0.9
123.00906	0.7
123.43148	0.7
124.01742	0.7
125.02447	4.0
133.03003	1.1
145.03052	1.7
146.03761	1.5
147.04576	4.4
151.00346	0.8
159.04573	2.6
161.02473	2.0
169.01460	4.6
172.08379	0.8
173.02481	2.1
174.03230	3.0
175.03999	16.8
176.04353	1.3
177.05600	1.5
182.49945	0.7
189.01939	2.4
190.02737	12.5
191.03471	5.3
201.02025	1.0
202.02794	2.9
203.03514	22.2
204.03757	0.7
205.01350	0.8
217.01431	13.7
218.02223	13.3
219.03020	4.0
221.04619	2.8
229.01483	1.3
245.00920	2.1
246.01706	46.4
247.02480	100.0
248.02803	5.2
273.00485	4.9
289.03464	0.7
290.00766	3.0
291.01474	9.9
300.99976	1.1
333.02380	1.4
409.07776	52.6
410.08054	5.1
453.06656	52.7
454.07074	6.3
469.28622	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
66.04117	0.4
69.50780	3.0
75.26287	0.5
119.05077	0.8
123.55589	0.5
125.02468	1.3
133.02986	0.7
135.04524	0.4
145.02983	1.3
147.04559	1.6
161.02499	1.6
162.57462	0.5
163.04013	1.1
169.01430	2.2
173.02426	1.9
175.04019	1.3
189.01967	2.9
190.02747	4.4
191.03540	6.7
201.01955	1.3
203.03555	1.1
209.00780	0.6
211.06392	0.5
216.00618	0.5
217.01453	9.6
218.02211	3.3
219.02991	3.9
229.01425	0.9
235.46432	0.4
244.00102	0.8
245.00948	7.4
246.01704	12.0
247.02489	100.0
248.02823	5.2
273.00443	24.1
274.00772	1.4
291.01489	14.5
292.01874	0.8
300.99832	1.1
333.02463	1.3
363.03305	1.0
393.04614	1.6
409.07764	9.1
410.07971	1.0
453.06680	19.4
454.07025	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	453.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52542	0.8
59.01376	1.4
66.88161	0.9
69.99131	3.4
71.01390	1.6
89.13073	0.8
95.01366	1.1
98.19836	0.9
105.03384	1.3
107.01367	0.9
107.05040	1.0
109.78839	0.8
116.99644	0.8
119.05005	2.1
121.02921	1.1
123.00848	3.0
124.01647	1.6
125.02447	8.0
131.05009	2.0
133.02954	1.4
137.02451	1.3
139.04007	1.4
145.02940	4.1
146.03758	1.4
147.04533	5.8
151.00330	1.5
158.03615	1.5
159.04539	9.4
160.01578	1.1
161.02393	3.4
163.03944	1.6
168.73724	0.8
169.01454	7.4
173.02380	2.4
174.03270	6.6
175.04022	20.2
176.04356	1.1
177.01855	1.1
177.05531	2.0
189.01949	5.0
190.02826	4.7
191.03557	7.3
201.01860	2.9
202.02742	6.6
203.03525	100.0
204.03812	4.3
217.01421	13.2
218.02026	3.1
219.02954	3.9
221.04498	2.1
229.01398	2.1
243.99966	1.0
245.00928	13.4
246.01688	9.2
247.02496	75.2
248.02823	5.0
273.00436	45.0
274.00604	2.5
289.03555	1.2
290.00766	4.7
290.98383	1.6
291.01501	29.0
292.01547	1.5
300.99710	2.5
333.02759	4.5
365.08832	6.6
393.04495	3.2
409.07797	9.6
435.08859	1.2
453.06415	44.7
454.06317	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	453.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66770	0.5
59.01384	0.8
60.02202	0.5
61.39255	0.5
69.77016	0.6
69.83765	3.0
77.04599	0.5
97.00233	0.5
98.20579	0.7
99.72545	0.5
100.69289	0.5
117.03442	0.8
119.05060	0.8
123.00907	0.6
125.02431	2.2
133.02962	1.1
145.02956	2.1
147.04529	1.8
161.02452	1.9
163.04019	1.8
169.01393	1.8
173.02409	3.0
175.03960	1.1
184.23604	0.6
189.01952	3.3
190.02657	2.4
191.03526	7.3
201.01981	1.8
203.03487	1.6
205.01488	0.6
216.99428	1.0
217.01431	14.1
218.02031	1.6
219.03026	3.7
229.01424	1.3
235.89641	0.6
245.00917	15.1
246.01616	3.0
247.02486	100.0
248.02832	5.8
273.00424	32.9
273.04776	0.8
274.00751	2.0
275.02173	0.7
291.01486	35.7
292.01816	1.7
301.00031	1.4
333.02692	2.8
363.03741	2.7
392.23502	0.6
393.04672	5.1
409.07495	1.8
453.06647	16.1
454.07098	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	453.0678
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99242	1.2
67.60780	1.0
69.03468	2.5
71.56466	2.1
78.95918	33.7
87.00941	1.1
96.96021	2.6
96.96970	5.4
107.01383	2.5
108.66158	1.0
110.98539	29.0
113.68377	1.2
123.00894	1.5
124.01682	2.8
125.02476	15.1
133.02946	1.4
135.19385	1.2
145.02957	1.7
147.04547	2.9
151.00412	1.5
158.11729	1.4
159.04477	3.0
161.02451	3.0
163.04007	1.6
169.01450	19.4
173.00955	2.1
173.02417	1.6
174.03194	1.8
175.03967	8.1
181.07201	1.6
189.01886	5.4
190.02756	6.7
191.03589	6.1
201.01869	1.6
203.01906	2.7
203.03546	16.9
217.01454	14.9
218.02173	8.2
219.02943	5.0
229.01468	1.7
245.00999	10.4
246.01720	30.8
247.02496	100.0
248.02689	5.6
273.00458	28.6
274.00693	2.0
275.02017	1.5
290.00760	1.7
291.01520	21.8
301.00125	2.9
301.05527	1.5
355.03162	2.3
393.04666	3.1
409.07816	28.5
410.08209	2.6
453.06537	34.7
454.06659	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
59.01375	3.0
60.42213	0.7
61.98832	2.2
65.00316	0.9
67.01883	1.5
69.03458	0.8
69.81046	4.2
71.01395	4.2
79.01907	1.2
83.01389	1.5
85.02956	3.4
89.02467	1.0
95.01390	3.5
96.96017	9.9
97.02954	1.3
99.00885	0.8
101.02447	3.1
107.01398	10.9
111.00909	3.8
113.02491	5.2
121.02909	1.2
123.00899	18.9
123.03284	13.6
124.01686	2.8
125.02463	45.4
126.02806	1.0
127.00360	1.9
131.01419	0.8
133.02890	0.8
136.98811	2.7
137.02481	2.2
138.05626	79.2
138.41261	0.8
139.00369	6.7
139.05939	2.4
140.01176	5.2
141.01959	2.1
145.02974	2.1
146.03728	0.8
147.04572	1.0
149.02438	0.9
151.00388	15.9
153.01959	1.4
161.02477	1.5
162.03204	1.0
163.04002	1.9
165.01900	2.9
166.02667	1.3
166.99924	1.1
167.03445	1.0
168.00670	10.1
169.01442	63.7
170.01802	2.6
172.07413	0.7
173.02521	1.4
177.01979	1.5
179.03572	0.9
180.04265	1.2
189.01941	3.5
191.03528	2.1
193.01447	1.4
195.03021	0.8
195.06564	1.0
201.02068	1.6
203.03494	2.2
211.02429	1.5
217.01448	2.7
219.02791	0.9
225.07712	1.1
229.01451	1.3
231.03046	0.9
233.00836	0.9
245.00864	2.3
247.02440	5.4
249.04039	1.5
273.00385	4.1
275.01962	3.3
300.99893	15.8
302.00070	1.1
313.05676	61.5
314.05960	4.7
368.02731	1.2
438.03357	5.6
438.53540	2.6
439.04172	1.1
452.12015	100.0
453.03857	2.1
453.12808	13.4
453.22842	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	452.2787
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
53.78772	0.2
62.96416	0.3
72.63881	0.3
78.95911	18.2
122.00139	1.3
125.02433	0.2
140.01208	5.2
152.99615	1.2
162.15627	0.2
166.02740	0.4
169.01486	0.4
169.78986	0.2
196.03819	10.7
197.04068	0.3
214.04906	2.0
229.76923	0.3
255.23317	100.0
256.23682	8.0
271.34305	0.2
273.00510	0.2
370.44638	0.2
452.27832	24.6
453.28259	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	453.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41175	6.2
59.01389	44.5
61.98822	17.3
69.34496	47.6
69.34918	18.0
71.01376	13.8
72.85936	6.5
73.02966	8.6
77.14756	6.6
85.02928	8.3
101.02461	19.0
106.58836	6.6
108.42019	6.4
113.02489	10.1
125.02449	13.2
133.02951	12.3
145.02917	12.8
169.01450	8.3
247.02364	10.7
283.99783	7.2
285.04065	100.0
286.10193	7.0
338.00354	14.1
417.08139	39.3
418.52768	7.8
453.10471	16.8
453.23697	9.0
460.86923	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	452.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68662	1.3
56.07963	1.2
59.01389	15.9
60.01725	1.4
61.98832	20.6
67.13762	1.3
71.01394	8.0
73.02959	2.5
81.03435	2.4
85.02954	2.3
89.02441	1.6
93.03459	6.7
94.03783	1.6
95.01394	2.9
96.96014	2.2
101.02462	4.5
102.02795	1.5
103.04021	3.5
104.04252	1.3
104.63295	1.2
107.01389	10.2
111.00886	2.6
117.03442	1.9
119.05045	5.1
123.00903	10.0
125.02461	64.1
133.03011	2.0
135.04503	1.2
137.02448	12.3
138.02797	2.5
139.00447	2.7
141.01985	1.4
145.02982	9.6
146.03247	2.2
161.04636	1.8
163.04012	5.0
166.99806	2.0
168.00743	1.5
169.01448	78.5
170.01808	2.7
191.03688	1.3
219.89485	1.4
225.01987	1.7
247.02519	3.6
256.00107	3.0
273.00333	1.7
282.98599	1.6
283.99628	10.9
284.99979	1.7
285.04022	2.9
290.05057	5.3
295.06052	2.5
297.00467	3.6
298.01175	2.0
301.00049	6.9
301.04684	2.2
309.00436	38.8
310.00912	7.7
311.01953	2.9
312.99933	32.0
314.00156	2.0
323.99112	30.8
324.02682	2.7
324.99774	6.2
325.03580	16.6
326.04016	1.8
336.99921	91.6
338.00272	8.5
339.01419	4.1
350.03415	2.1
353.02994	23.9
353.06851	2.2
354.03207	2.0
360.01624	7.8
361.02249	20.0
362.02856	2.0
366.06232	11.2
374.79874	1.5
376.04675	14.9
377.05215	9.7
392.23322	2.0
393.06299	2.9
394.05713	51.7
395.05960	5.0
421.05804	13.3
422.05826	2.0
451.28738	1.9
452.09900	100.0
452.29260	2.7
453.05225	3.6
453.10574	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	452.084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
67.95770	0.6
71.01398	3.7
71.02010	0.6
71.02322	0.9
79.01923	0.7
83.01398	0.8
85.02951	1.1
95.01418	0.9
96.96019	4.5
97.02964	1.0
99.49188	0.5
101.02467	1.4
107.01391	5.4
108.02197	12.9
111.00906	1.3
111.24036	0.6
123.00916	5.4
124.01723	0.8
125.02467	35.2
126.02795	1.1
136.98814	0.9
138.01991	100.0
139.00414	2.1
139.02321	2.4
140.01166	1.4
149.02390	0.9
151.00389	4.6
167.03519	0.6
168.00648	1.7
169.01447	49.7
170.01804	1.5
179.99367	0.6
181.10060	0.5
193.01411	1.6
196.77182	0.5
211.02576	1.8
219.03014	0.6
241.03564	1.0
247.02667	0.9
259.10941	2.0
271.04565	1.3
283.24216	0.6
291.09155	0.8
301.00018	1.4
313.05685	70.3
314.06003	4.0
348.76089	0.6
392.58899	0.6
452.08350	31.0
453.08569	2.8
453.14151	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	452.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62351	0.5
59.01389	3.3
61.98835	5.3
71.01401	2.6
71.20571	0.6
71.20911	0.9
73.02945	0.8
73.30540	0.5
83.05008	0.6
85.02943	0.7
85.93276	0.4
86.62888	0.4
89.02437	0.8
95.01357	0.5
95.20699	0.4
101.02444	1.4
107.01320	0.6
121.14200	0.5
125.02444	2.0
125.26855	0.4
145.02953	1.7
160.04100	0.6
161.04526	1.0
163.04013	0.6
169.01422	2.2
200.01266	0.6
215.03389	0.5
217.01389	0.6
227.03470	0.5
228.00670	0.7
241.01408	0.8
242.02313	0.8
245.00720	0.5
246.62263	0.6
247.02527	0.7
253.01416	0.6
256.00085	0.9
268.00180	1.3
269.00919	1.7
270.98416	0.7
273.00504	1.1
281.00952	0.9
282.01730	1.3
282.98865	1.0
283.99643	14.2
285.00317	2.7
291.18277	0.6
297.00412	18.2
298.01190	28.7
299.01630	2.5
300.99869	1.0
309.00430	11.7
310.00940	2.6
310.98508	1.1
311.01959	3.4
312.99918	13.9
313.03610	0.8
314.00320	1.1
319.02451	0.7
322.00888	0.5
323.99109	12.9
324.99899	11.8
325.03595	1.4
325.99976	1.2
326.03281	1.5
332.05637	0.5
335.02020	1.7
336.02414	0.7
336.99899	22.3
337.03918	1.2
337.76880	0.5
338.00146	2.7
339.01367	5.8
350.03305	0.9
353.03006	2.6
360.01620	2.4
361.02325	3.9
362.02905	0.7
363.01340	0.6
366.06216	1.8
376.04538	3.8
379.04181	1.0
380.04044	0.7
392.17795	0.6
394.05692	34.9
395.06177	3.7
409.05841	0.9
421.05664	13.3
422.05905	1.4
434.08875	0.6
452.09894	100.0
453.10205	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89226	0.8
54.72360	0.9
55.01883	7.1
57.03454	5.9
58.00594	2.0
59.01384	52.6
61.98821	3.0
69.03450	2.0
69.92228	0.9
71.01387	73.4
72.01733	1.1
72.99305	3.2
73.02556	1.8
73.02953	33.8
74.03284	1.1
75.00886	1.5
76.63558	1.0
81.03446	1.4
83.00638	1.1
83.01401	18.8
85.02959	40.3
86.00081	2.4
87.00874	4.4
89.01937	1.5
89.02452	18.5
95.01395	5.3
97.02942	3.9
99.00885	16.4
100.47993	1.0
101.02452	72.1
101.24615	0.9
102.02769	2.2
104.73533	0.9
107.05001	2.2
111.00893	2.8
113.02458	24.8
115.03994	3.1
116.44043	0.9
119.03503	1.6
123.00915	1.3
125.02448	5.5
129.01984	1.6
131.03496	5.1
143.03491	5.3
149.04556	2.9
153.09128	0.9
155.14413	1.3
159.03003	6.6
161.04567	31.3
169.01450	1.7
173.94521	0.9
191.05579	1.3
205.03549	1.6
217.01376	1.5
229.05208	1.1
233.06691	4.1
236.68355	1.1
245.00690	1.2
288.14630	1.1
293.08847	1.9
300.99542	1.2
319.21268	97.8
320.21698	7.1
363.20035	1.3
378.03964	1.0
391.27078	1.6
451.25449	100.0
452.09875	1.9
452.25711	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	451.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28688	0.3
53.31997	0.3
55.01888	8.3
57.03186	0.6
57.03452	5.9
58.00602	2.1
59.01387	42.2
60.01713	0.3
60.99308	0.3
68.46979	0.3
68.99828	0.6
69.03471	2.1
69.34712	0.5
69.35117	2.1
71.01390	67.0
72.01731	0.6
72.99318	2.9
73.02955	38.8
74.03300	0.4
75.00878	2.3
81.03484	0.7
83.01397	18.2
85.02961	39.0
86.00107	3.3
86.03294	0.7
87.00889	4.9
89.02457	16.0
95.01403	5.3
97.02959	3.7
99.00895	15.4
99.04507	0.7
101.02454	74.8
102.02795	1.3
111.00906	2.6
113.02462	25.6
114.02832	0.6
115.04019	2.5
119.03509	0.6
123.00918	0.4
125.02451	4.5
129.01944	1.8
131.03520	4.6
139.04108	0.3
141.01959	0.6
143.03502	3.0
149.04596	2.9
155.14449	0.9
159.03001	4.5
161.04573	23.3
162.04921	0.5
191.05652	1.1
199.17149	0.5
205.03592	0.9
215.05814	0.5
227.16586	0.7
233.06671	4.3
286.62128	0.3
293.08710	1.5
319.21265	100.0
320.21597	7.2
363.20242	1.2
451.25510	99.0
452.25864	11.3
452.31406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	5.2
57.03457	4.5
58.00600	2.3
59.01385	39.6
60.01716	0.3
62.82719	0.2
67.01902	0.4
68.60610	0.2
68.99828	0.5
69.03467	0.8
69.29627	2.2
71.01389	53.1
72.01736	0.7
72.99311	2.9
73.02954	23.0
75.00883	1.1
81.03489	0.4
83.01396	14.3
83.16270	0.2
84.02182	0.4
85.02959	32.8
86.00109	2.5
86.03319	0.6
87.00880	3.1
89.02451	7.8
95.01397	3.7
96.96020	0.3
97.02983	1.7
98.20731	0.4
99.00891	9.9
99.01540	0.6
101.02453	68.7
102.02784	1.2
111.00918	2.0
113.02460	23.0
114.02824	0.6
119.03516	1.2
125.02445	1.8
128.04745	0.3
129.01950	1.6
131.03517	36.4
132.03877	0.8
141.01991	0.3
143.03505	3.1
149.04590	0.5
155.14438	0.9
157.15999	0.3
159.03000	5.3
161.04572	26.7
162.04919	0.9
179.05611	0.5
199.16989	0.5
205.03577	1.0
227.16675	0.6
289.00046	0.3
289.23819	0.8
301.00085	0.3
319.21265	100.0
320.21597	8.1
336.99933	0.3
363.20331	1.5
448.16788	0.3
450.99423	0.4
451.24994	2.2
452.09866	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22676	0.8
57.03473	1.0
59.01387	35.5
59.01688	1.7
61.98833	2.0
67.71142	0.8
69.49046	3.4
69.49464	1.6
71.01394	4.5
72.21478	1.0
73.02950	1.5
75.00870	0.9
83.01427	1.1
85.02951	2.3
88.98799	1.2
89.02437	4.5
93.03438	1.3
95.01401	1.5
99.00914	1.4
101.02440	2.5
106.21054	0.7
107.01414	1.1
113.02464	3.7
119.03542	1.2
119.05031	2.3
123.00897	1.7
125.02460	7.4
127.11359	1.2
128.40872	0.9
133.02957	2.4
135.04553	1.8
136.04872	0.9
136.09547	0.8
137.02437	1.9
138.01964	2.6
145.02985	1.0
149.04582	2.0
155.10765	0.9
161.02461	4.6
161.04552	1.0
162.02805	2.6
163.04036	1.6
167.14412	1.1
169.01437	7.4
179.03513	1.2
180.03740	0.9
181.03998	0.9
181.12326	1.4
199.13449	2.9
201.11285	1.0
211.13391	3.9
229.14465	100.0
230.14766	5.9
247.02350	1.1
253.14429	2.0
263.05267	0.9
270.98788	1.4
273.00256	1.0
301.00092	2.1
313.05737	3.9
325.08432	2.0
451.11749	5.6
452.07986	1.8
457.29364	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	11.9
56.49459	7.8
57.03436	10.4
59.01387	80.7
61.98844	63.5
62.02333	5.5
69.28427	46.0
69.28838	15.5
71.01393	95.6
73.02959	37.0
75.00848	8.5
81.13435	5.1
83.01389	17.1
84.67633	6.0
85.02951	51.8
89.02459	21.9
95.01354	11.3
96.96018	7.1
99.00901	17.0
101.02451	100.0
111.00906	6.7
113.02451	33.5
125.02453	13.8
137.09720	23.2
155.10788	36.6
159.03030	7.5
161.04610	39.4
163.00398	7.1
169.01414	8.3
177.01950	8.4
183.57240	6.2
253.18127	53.5
300.99698	7.2
305.19769	29.3
309.00516	6.9
319.21228	62.0
320.21802	6.3
336.99728	9.1
371.00528	7.8
432.35419	7.0
450.99640	7.7
451.05374	15.4
451.19757	21.8
451.25439	68.7
451.29623	5.4
452.10052	16.3
452.25836	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	451.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40459	0.2
55.01854	0.2
58.00614	0.2
59.01385	1.8
60.57290	0.2
61.98831	1.3
64.49010	0.2
69.30255	1.8
71.01388	2.1
73.02953	0.9
80.24317	0.2
83.01383	0.6
85.02953	1.6
87.00889	0.3
89.03996	0.3
95.01407	0.3
99.00935	0.3
101.02444	1.4
102.27204	0.2
113.02472	0.7
117.03481	27.5
118.03815	0.9
119.03677	0.3
119.05038	6.6
125.02485	0.4
135.89235	0.2
145.02974	100.0
146.03317	4.0
161.04546	0.2
163.04031	8.0
164.04358	0.4
165.60768	0.2
176.11246	0.2
187.57478	0.2
198.43298	0.2
451.19748	42.5
452.09857	0.6
452.20081	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	451.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13614	0.2
55.01880	0.4
57.03442	0.2
57.76305	0.2
58.17970	0.2
59.01393	1.9
61.98832	0.5
68.11100	0.2
69.45850	0.4
69.46271	0.9
71.01390	1.6
73.02955	0.9
83.01422	0.4
85.02969	1.1
87.00924	0.3
89.02457	0.6
91.18697	0.1
99.00912	0.3
101.02467	1.8
113.02475	0.6
117.03482	28.0
118.03790	1.3
119.05042	6.7
120.05342	0.2
121.02956	0.2
125.57269	0.2
129.45827	0.2
142.24724	0.2
143.10754	0.2
145.02971	100.0
146.02228	0.1
146.03308	4.4
163.04027	8.0
164.04349	0.3
165.09163	0.2
255.17926	0.2
451.19772	41.5
452.20163	4.5
476.35291	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1239
Annotation	6'-O-Galloylsalidroside
Peak:m/z	Relative Intensity
52.83389	0.9
55.01888	6.0
57.03454	5.5
58.00599	2.1
59.01384	63.1
61.98833	6.5
67.01885	2.2
69.03473	3.3
69.34238	6.1
69.34647	2.7
71.01389	77.4
72.01735	1.7
72.99310	6.3
73.02955	33.7
75.00870	1.5
76.52985	0.9
77.04028	0.9
78.91903	2.5
78.95893	1.2
79.01916	1.2
81.03489	1.3
83.01397	23.2
85.02957	36.1
87.00893	6.9
87.04489	1.3
89.02455	19.9
93.03480	1.4
95.01395	8.0
96.96026	11.6
97.02972	4.9
99.00897	12.0
99.04514	1.5
101.02456	83.9
103.04017	3.4
107.01402	7.7
107.05050	2.3
109.22755	1.0
111.00876	2.2
113.01718	2.0
113.02460	26.4
119.03512	7.3
119.05026	3.8
123.00906	16.8
125.02463	39.0
127.00393	1.9
129.01971	1.8
131.03497	1.7
136.98840	1.7
137.02470	2.5
137.06133	1.6
139.00410	6.8
139.03984	1.3
140.01160	3.5
141.01952	2.6
143.03529	4.2
143.10802	2.1
145.02989	2.6
149.04582	4.6
151.00395	11.0
151.04018	1.8
153.01936	7.5
159.03006	6.3
161.02481	2.8
161.03133	1.2
161.04576	32.0
163.03969	2.7
163.06114	4.6
168.00641	4.4
168.04237	2.7
169.01439	40.5
170.01796	1.8
179.03581	1.1
179.05554	1.8
189.01947	2.6
201.01891	1.1
205.07127	1.5
207.06837	1.0
211.02504	1.9
217.01364	2.1
229.07281	1.8
229.14299	1.7
245.00969	2.4
247.08292	2.9
270.98901	1.9
271.04584	1.1
273.00433	3.6
275.01984	1.9
289.07535	2.1
300.99997	10.9
302.00388	1.2
305.16092	100.0
306.03482	1.0
306.16522	6.6
313.05673	2.8
323.38269	1.1
388.13297	1.5
407.98578	1.0
415.16150	4.4
438.03241	4.2
451.12512	96.8
451.21887	32.8
452.02759	1.1
452.12784	9.7
452.22122	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
56.86251	0.7
58.43790	0.7
59.01381	5.8
59.45488	0.7
65.00303	0.7
66.65187	0.7
67.01887	1.5
69.03455	1.5
69.85786	4.1
71.01386	7.1
72.99327	1.0
73.02946	0.9
79.01913	2.1
83.01395	1.2
85.02936	2.2
89.02422	1.4
93.03466	36.6
94.03819	1.2
95.01396	3.0
96.96017	1.2
97.02940	0.9
101.02414	1.7
107.01394	7.2
107.05016	0.7
108.02208	0.9
111.00899	1.0
113.02460	3.4
123.00001	1.0
123.00893	16.0
125.02460	42.5
135.04514	0.8
136.01682	6.8
137.02457	68.1
138.02773	2.5
139.00386	5.8
140.01134	2.7
141.01965	1.2
141.89827	0.7
149.02397	1.1
149.84212	0.7
151.00395	9.8
151.03998	4.9
153.01900	1.7
165.01938	0.8
166.99855	0.7
167.03339	0.9
168.00627	3.4
169.01447	61.6
170.01736	2.5
179.03511	21.4
180.03931	1.1
200.84271	0.8
209.04591	2.7
211.02483	5.3
213.80750	0.8
239.05623	10.6
243.85362	0.7
245.00952	2.8
253.03539	1.5
273.00415	3.5
274.01089	2.9
288.02649	1.2
289.03455	2.6
299.07724	4.3
300.99924	1.7
313.05682	35.8
314.05869	1.3
342.99191	0.8
407.09912	5.1
408.10294	0.8
451.08740	100.0
452.08954	10.0
468.20590	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64673	1.3
57.03454	1.9
59.01383	22.0
61.98543	1.2
61.98838	21.9
63.02419	1.2
63.12632	1.1
71.01391	17.6
71.57816	1.9
72.99321	1.9
73.02948	5.4
73.40029	1.1
75.52971	1.1
83.01378	2.4
85.02945	8.3
87.00893	1.9
89.02468	10.7
93.03477	2.8
95.01418	2.6
96.96022	1.4
99.00922	1.2
101.02456	12.8
106.24197	1.1
107.01395	2.6
107.03764	2.9
113.02464	10.6
117.03446	6.7
119.03489	4.9
119.05039	5.6
120.99707	1.2
121.00838	1.2
122.06146	17.3
125.02446	4.1
135.08147	1.2
137.02448	5.2
139.02783	2.0
143.03490	1.2
145.02966	25.6
146.03293	2.0
147.04562	1.5
149.06091	4.3
152.06027	2.2
152.07185	29.3
159.03079	1.8
159.79858	1.2
160.04022	1.6
161.02411	2.1
161.04546	4.5
163.04012	7.0
165.01683	1.1
169.01436	7.2
179.05591	2.2
182.06181	2.6
191.14418	2.4
198.05644	1.6
209.06026	2.3
210.05611	4.1
217.01237	1.7
226.05168	3.9
233.00952	1.2
242.08240	2.0
245.00984	2.0
253.05078	100.0
253.14445	4.3
254.05295	8.5
270.98651	2.5
277.03564	1.2
283.99524	4.5
286.07208	10.6
289.07388	1.7
289.18231	7.5
289.23782	1.8
297.00467	5.2
298.01309	5.6
300.99823	2.9
309.00479	3.5
312.99924	4.3
323.99033	3.3
324.99734	3.7
325.03265	1.4
336.99997	10.2
339.01514	1.8
361.02362	2.2
388.63318	1.4
391.17169	1.6
391.23178	2.1
394.05661	10.5
421.05557	4.7
451.14966	26.5
451.20065	7.4
451.28824	5.7
452.09860	32.7
452.15405	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	450.9949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60105	0.7
55.81721	0.6
57.03430	0.8
59.01387	18.7
60.01713	1.2
61.01820	0.8
61.98837	31.5
69.03457	1.1
71.01384	4.5
71.56808	1.1
72.99323	0.7
73.02918	1.2
75.00874	1.6
78.95915	1.1
81.03481	1.1
83.01401	0.8
85.02966	1.6
88.98817	1.1
89.02438	4.2
93.03464	1.9
95.01392	2.1
96.96014	1.1
97.02951	1.3
99.00882	1.0
99.04538	2.2
101.02431	4.4
107.01417	1.3
107.65526	0.6
108.02158	0.8
109.02982	0.7
111.00896	1.1
113.02473	2.0
117.03483	1.3
119.03534	1.6
119.05032	7.8
123.00873	2.9
125.02446	9.1
131.03534	0.7
133.03008	1.3
135.04494	1.5
136.98894	0.9
137.02472	3.7
138.01961	2.4
139.00386	1.4
143.03500	3.6
145.02983	4.4
147.04533	0.6
149.04585	0.8
151.00352	1.1
161.02460	2.8
161.04582	1.3
162.02882	1.1
163.04021	5.3
166.02852	0.7
166.99861	1.9
168.00644	1.2
169.01448	10.3
175.03987	0.7
179.03477	1.1
189.01950	1.6
191.03571	0.9
195.04485	1.1
201.01888	0.8
211.04060	0.9
211.13544	1.0
216.00635	0.9
217.01413	1.5
223.04037	1.9
229.14449	12.0
235.04041	1.3
239.03535	2.2
245.00978	2.2
247.02528	3.0
249.01921	0.7
251.03465	2.0
263.03549	1.2
267.03021	3.4
270.98776	1.2
273.00497	2.4
277.01370	1.1
279.03058	1.5
283.02319	0.9
289.07181	1.0
291.01871	0.7
293.00916	1.0
295.02499	3.0
298.98383	1.1
299.99161	1.0
300.99838	4.5
305.01102	0.9
307.02505	1.8
307.17615	1.2
310.01236	0.9
311.02011	1.8
313.05673	1.4
321.00323	1.7
322.01083	1.3
323.02005	5.3
324.08325	0.9
324.99850	0.8
325.07919	0.9
333.00421	0.9
335.02060	4.7
337.00006	1.2
338.00604	3.1
339.01395	5.2
348.99933	1.7
351.01538	6.5
352.99207	0.7
362.02908	1.0
363.01688	1.1
366.00125	1.2
367.00974	7.4
368.01608	1.2
376.99377	2.6
379.00839	5.0
395.00479	5.5
395.69418	0.7
396.00641	0.8
404.98904	2.6
407.00571	1.7
422.99924	4.0
432.98389	8.4
438.03091	0.9
450.11404	0.7
450.99466	100.0
451.12558	6.4
451.99695	11.1
452.08243	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61420	1.1
57.03462	2.2
59.01106	1.8
59.01390	24.5
59.38718	1.1
61.59927	1.0
61.98837	100.0
62.17257	1.3
71.01383	8.1
72.99347	1.2
73.02950	1.9
80.96563	1.2
83.01391	2.2
85.02953	3.8
87.00877	1.7
89.02473	7.1
90.17427	1.1
93.03477	3.4
95.01439	1.4
97.55212	1.2
98.19884	3.1
99.00879	2.5
101.02460	7.6
104.36581	1.3
107.01411	4.0
111.00910	1.1
111.68011	1.3
113.02446	2.8
119.03564	2.2
123.00882	3.2
125.02468	30.5
126.02782	6.4
130.60237	1.1
135.04486	1.5
136.01689	2.9
137.02460	19.0
141.01860	1.8
149.02455	2.8
150.02815	2.9
151.00368	4.5
152.00705	1.8
161.02469	1.2
164.45782	1.2
165.01935	2.0
168.00618	1.6
169.01456	15.0
178.99805	2.4
180.00229	2.0
187.00415	1.5
199.96913	1.9
207.10320	3.6
211.02505	1.5
228.13359	1.6
243.06358	2.8
244.06960	3.3
259.06027	5.6
260.06445	9.9
269.04547	4.8
270.04892	12.1
273.00372	1.8
274.00742	1.5
275.01233	1.7
276.01230	1.7
287.05646	5.1
288.05988	14.1
300.99847	1.6
313.05701	7.8
366.34860	1.3
387.16644	45.1
388.16998	3.1
414.84601	1.3
415.12277	2.7
422.03384	1.8
450.04172	2.6
450.11160	27.4
450.20651	4.6
451.07950	5.6
451.12851	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	450.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	22.2
60.01725	3.6
61.01803	1.6
61.98836	100.0
67.96720	0.7
69.59830	4.9
71.01390	6.3
71.81017	0.7
72.01723	1.5
72.99324	1.2
85.02958	1.1
86.77594	0.7
87.00877	0.8
89.02448	6.8
90.02799	1.3
91.02876	1.2
93.03455	1.8
95.01427	1.0
101.02451	4.8
103.02899	0.7
107.01405	2.7
109.02969	0.8
111.00876	0.9
113.02485	2.9
115.45640	0.7
119.03488	1.9
119.05046	0.9
121.03014	1.0
123.00943	3.9
125.02451	9.5
135.04550	1.0
137.02438	4.8
139.00494	1.1
140.01151	1.0
145.02927	1.1
151.00444	2.0
161.04588	2.8
168.00752	1.0
169.01428	14.0
179.03525	2.6
179.05533	0.7
211.02550	3.1
236.15762	0.9
239.05762	1.0
273.00507	1.0
310.77832	0.9
313.05734	2.9
314.06003	1.1
389.21179	1.9
390.21585	7.4
450.11148	1.6
451.08725	6.1
451.13144	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	450.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.9
59.01382	13.6
60.01719	0.8
61.98812	2.4
65.00316	2.2
66.47085	0.9
69.62125	0.7
71.01392	4.5
71.57516	1.5
83.01377	2.1
85.02951	0.9
89.02429	3.3
101.02439	1.7
107.01404	3.6
108.01733	1.9
113.02402	1.8
118.03813	0.9
119.03510	1.1
123.00890	1.3
124.07662	2.1
125.02461	4.0
125.08016	1.1
126.02795	1.7
133.02957	9.7
134.03308	8.1
134.26704	0.7
135.03497	2.9
135.04507	3.8
136.03810	1.7
136.04822	3.3
138.09451	0.7
149.02481	1.7
150.02753	1.5
151.00380	12.6
151.02988	1.3
152.00706	7.8
153.00792	2.7
154.01138	1.3
161.04655	1.2
169.01408	4.9
170.01740	2.4
175.03972	2.7
176.04333	2.4
177.04483	1.4
189.82231	0.8
199.04036	1.0
200.04314	2.5
201.04501	1.0
202.02225	1.4
211.02356	1.3
218.05510	0.9
241.04829	1.0
243.05470	1.0
257.04117	1.1
258.04294	2.2
259.04605	1.6
271.04803	0.9
272.04956	1.0
276.42432	0.8
285.04031	30.0
286.04404	78.0
287.04611	70.4
287.14041	2.2
288.04886	100.0
288.13983	3.9
289.05222	3.6
313.05408	1.0
314.05780	1.1
321.29877	0.9
450.10315	56.5
451.10757	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	449.276
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
55.01869	1.0
57.03461	0.8
58.00586	0.6
59.01386	13.8
60.01732	0.5
61.98838	3.3
69.03458	0.6
70.30336	0.8
70.30728	0.5
71.01008	0.6
71.01392	10.6
72.01701	0.4
72.99304	1.3
73.02952	3.7
75.00911	0.5
83.01398	2.6
83.64439	0.4
84.95151	0.3
85.02959	5.1
86.00106	0.5
87.00886	1.7
89.02457	3.4
95.01400	1.3
95.05013	0.5
97.02941	0.4
99.00907	1.0
101.02461	7.7
107.01469	0.4
111.00886	0.9
111.04560	0.4
112.01656	0.8
113.02461	3.2
117.03478	1.7
118.35686	0.4
119.03512	1.1
119.05041	0.7
124.01641	0.5
125.02438	0.8
129.01926	0.4
133.02956	0.7
137.02428	0.6
138.01956	0.8
139.02350	0.5
141.12828	0.5
145.02977	5.5
151.00359	0.6
159.03038	0.4
160.67122	0.4
161.02429	0.4
161.04607	1.0
163.04024	0.8
241.21687	0.6
256.07007	0.4
269.21240	3.1
278.66049	0.4
285.04065	2.8
285.20746	1.0
286.04486	3.2
287.04654	4.4
287.09241	0.7
287.22296	31.3
288.22690	2.8
299.22092	0.5
317.19647	0.6
431.26477	1.6
436.38989	0.4
446.76123	0.4
449.10300	1.7
449.27618	100.0
450.18094	0.5
450.28015	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	449.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.0
57.03461	0.8
58.00586	0.6
59.01386	13.8
60.01732	0.5
61.98838	3.3
69.03458	0.6
70.30336	0.8
70.30728	0.5
71.01008	0.6
71.01392	10.6
72.01701	0.4
72.99304	1.3
73.02952	3.7
75.00911	0.5
83.01398	2.6
83.64439	0.4
84.95151	0.3
85.02959	5.1
86.00106	0.5
87.00886	1.7
89.02457	3.4
95.01400	1.3
95.05013	0.5
97.02941	0.4
99.00907	1.0
101.02461	7.7
107.01469	0.4
111.00886	0.9
111.04560	0.4
112.01656	0.8
113.02461	3.2
117.03478	1.7
118.35686	0.4
119.03512	1.1
119.05041	0.7
124.01641	0.5
125.02438	0.8
129.01926	0.4
133.02956	0.7
137.02428	0.6
138.01956	0.8
139.02350	0.5
141.12828	0.5
145.02977	5.5
151.00359	0.6
159.03038	0.4
160.67122	0.4
161.02429	0.4
161.04607	1.0
163.04024	0.8
241.21687	0.6
256.07007	0.4
269.21240	3.1
278.66049	0.4
285.04065	2.8
285.20746	1.0
286.04486	3.2
287.04654	4.4
287.09241	0.7
287.22296	31.3
288.22690	2.8
299.22092	0.5
317.19647	0.6
431.26477	1.6
436.38989	0.4
446.76123	0.4
449.10300	1.7
449.27618	100.0
450.18094	0.5
450.28015	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	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78617	0.7
55.25538	0.7
57.03430	1.1
59.01387	100.0
59.88856	0.8
60.01728	2.7
61.01817	1.5
61.98849	3.8
65.00350	1.3
65.04515	0.7
71.01394	14.4
71.57360	1.3
73.02959	2.3
83.01412	2.4
85.02970	3.1
87.00874	1.8
89.02452	15.8
89.95620	0.9
93.03471	1.4
95.01392	1.5
96.96015	1.9
99.00925	1.0
101.02458	8.1
103.72688	0.9
107.01416	1.2
111.00844	1.5
111.08197	1.3
111.38737	0.8
113.02465	6.3
115.04173	0.9
117.03461	7.9
119.03568	7.7
119.05040	20.4
120.99722	1.8
123.00904	2.5
123.04496	1.2
125.02473	13.6
126.02835	1.1
130.08687	0.9
132.12012	1.0
133.02989	3.0
135.04556	4.8
136.98892	1.2
137.02428	1.6
139.00371	2.9
140.01160	3.4
143.03551	2.8
149.02438	3.9
151.00417	2.9
151.04089	1.0
153.09195	2.4
155.10800	2.9
161.02472	7.6
161.04530	6.4
163.04034	13.1
167.03548	1.4
168.00655	13.1
169.01111	11.1
170.01793	2.0
179.03511	1.6
179.05614	5.3
193.01437	5.5
209.15544	2.3
223.94383	0.8
227.16487	2.0
244.03348	0.8
250.32117	0.8
269.04538	3.5
284.03256	3.2
285.03894	8.6
286.04044	10.1
287.04587	11.4
290.47964	0.9
297.06329	1.3
300.99908	1.0
313.05621	1.3
314.00076	0.8
314.06540	1.1
315.06973	1.4
323.07825	1.4
330.05630	1.9
337.23523	0.9
388.39514	0.8
389.21793	19.1
390.22195	2.1
397.24451	1.1
403.12021	1.3
446.16415	1.0
449.10159	19.5
449.23734	1.6
450.10669	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44626	0.4
51.61138	0.4
59.01111	0.7
59.01387	9.6
64.96592	0.4
67.01887	0.6
69.03452	0.7
69.47007	2.8
71.01389	4.9
72.99323	0.6
73.02935	0.6
79.01464	0.4
79.01904	1.3
79.04106	0.4
80.66211	0.4
83.01412	0.6
85.02961	1.7
87.00851	0.6
89.02453	4.3
95.01400	1.5
96.96022	1.5
96.96955	0.9
97.02953	0.7
101.02467	3.8
107.01398	5.3
111.00851	1.9
113.02441	1.6
115.72252	0.4
119.03525	1.2
119.04998	0.7
120.05444	0.5
120.64867	0.4
123.00898	13.0
125.02460	20.4
126.02840	0.6
127.00381	0.9
135.06639	1.0
136.98808	1.3
139.00395	4.5
140.01184	2.3
141.01970	1.8
151.00386	10.5
166.99905	0.5
167.86740	0.4
168.00674	4.0
169.01445	32.7
170.01833	0.6
196.96466	0.4
209.31310	0.5
211.02512	8.6
214.91434	0.4
223.02400	0.5
227.09305	0.5
271.04605	12.7
272.04889	1.2
273.05133	1.1
287.14777	0.5
295.53513	0.4
300.99963	1.2
313.05630	3.0
331.06604	0.6
343.80768	0.4
386.61438	0.5
413.48050	0.4
449.13016	100.0
450.13361	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	449.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
57.03454	0.7
58.00605	0.5
59.01385	8.5
60.97523	0.5
65.00320	0.5
67.01890	0.8
68.99818	0.5
69.03448	0.6
69.46934	2.4
71.01390	5.9
72.97542	8.3
72.99323	0.8
73.02945	1.9
74.65716	0.4
78.95914	1.3
79.01902	0.8
81.03482	0.4
83.01394	1.5
85.02946	3.4
87.00879	1.0
87.04510	1.7
89.02444	2.7
95.01401	2.2
96.96024	1.4
96.96965	2.6
97.02952	1.0
98.19931	0.8
99.00886	1.1
101.02467	4.0
107.01406	4.8
111.00908	2.1
113.02453	2.5
117.05571	1.1
119.03521	0.8
119.05038	4.8
120.05387	2.2
120.99677	2.3
121.02919	0.4
122.99999	0.8
123.00903	14.9
124.01746	0.5
125.02456	21.6
126.02860	0.5
127.00388	0.9
134.97610	5.4
135.04594	0.6
135.06654	2.5
136.98845	0.8
137.02489	0.7
139.00389	4.6
140.01208	2.2
141.01984	1.8
143.03522	0.4
145.02983	0.4
151.00381	9.7
151.03967	0.4
153.01967	0.7
154.00990	0.9
154.99820	0.4
155.01715	0.9
161.02411	0.7
161.04465	0.6
163.04027	0.8
165.42616	0.4
167.03535	0.8
168.00668	3.0
169.01442	31.9
170.01750	0.9
177.01854	1.0
179.03374	0.4
179.94206	0.4
181.04990	0.5
187.00328	1.4
189.01837	0.5
205.01505	0.4
211.02522	5.6
212.02710	0.6
213.99086	0.4
214.99951	1.0
216.00558	0.5
217.01418	0.8
229.01405	0.9
230.99406	0.6
242.15555	1.0
242.99342	0.7
243.15877	1.3
253.03638	0.8
258.98898	0.8
261.00323	0.6
269.06512	0.4
271.04614	6.9
272.04999	0.8
273.05090	0.5
275.01962	0.6
286.14432	0.9
286.98248	0.4
287.14932	2.1
300.99918	1.4
313.05695	3.0
317.07089	0.5
323.10052	0.4
331.06516	0.5
361.05850	0.6
405.04663	0.5
421.03708	0.4
449.04068	5.3
449.13019	100.0
450.04077	0.9
450.13394	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	14.8
60.01717	0.9
61.98834	2.2
63.02399	2.4
65.00340	7.5
66.77691	0.8
66.87293	1.0
69.40171	6.6
71.01382	3.7
73.02959	1.6
83.01387	5.3
85.02977	2.0
89.02457	2.2
93.01723	0.7
93.03477	2.4
95.81506	0.8
97.02934	1.0
99.00897	0.9
101.02480	1.5
107.01406	16.0
108.02214	2.1
109.02948	2.9
111.00893	0.9
113.02447	1.5
117.03532	0.9
119.05000	1.4
119.38651	0.9
121.02975	1.6
123.04514	2.0
125.02486	4.9
131.01387	1.3
133.02977	2.8
134.03763	2.3
135.04553	60.9
136.04875	2.2
137.02484	4.0
139.00351	0.8
141.01933	2.2
145.02957	0.8
149.02519	1.1
150.17459	0.8
151.00400	80.8
152.01030	4.5
161.02448	1.5
163.03998	1.2
167.03502	5.7
168.00656	2.7
169.01375	2.2
175.00366	4.4
184.66029	0.9
193.01451	1.0
219.39563	0.7
256.03680	1.1
257.03983	0.9
258.04358	2.2
281.06723	4.1
284.03284	15.6
285.03922	39.7
286.04129	52.5
287.05396	100.0
288.05939	6.8
303.07095	1.1
329.06107	1.2
389.21677	1.9
449.10007	83.2
450.10352	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	449.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38463	0.5
59.01384	7.8
61.98838	100.0
71.01390	5.1
72.99287	0.4
73.02969	1.7
83.01404	0.7
85.02977	1.8
85.89994	0.4
87.00910	0.5
89.02485	1.6
93.54512	0.5
95.01396	0.5
95.95364	0.4
99.00887	1.0
101.02463	3.6
113.02475	1.4
119.03551	0.9
125.02451	0.5
143.70291	0.4
151.00398	0.6
161.04619	1.7
163.04030	0.7
163.15210	0.5
182.04794	0.5
192.02969	0.4
195.48648	0.5
199.86734	0.4
249.15027	0.9
251.16579	0.8
262.25415	0.5
285.04105	3.2
286.04330	3.6
287.04666	5.5
317.19693	2.8
367.10837	0.8
433.78055	0.5
449.03506	0.9
449.10760	1.1
449.23505	3.9
449.33090	0.6
450.16745	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32511	0.5
53.98217	0.5
59.01389	6.8
63.02390	1.4
65.00336	6.7
66.00639	0.6
69.53031	2.6
69.53445	0.8
71.01365	2.2
77.39366	0.4
82.90228	0.4
83.01385	3.4
89.02419	1.8
89.04339	0.6
97.39668	0.5
98.19928	0.9
101.02426	1.3
102.23022	0.5
107.00739	0.6
107.01408	10.1
108.01704	1.2
109.02906	0.5
113.02420	1.2
125.02463	4.7
133.02965	9.0
134.03265	3.4
135.03577	2.4
135.04533	36.7
136.04819	1.8
149.02412	1.9
150.02788	0.8
150.44604	0.5
151.00383	58.5
152.00722	3.9
153.00854	1.4
160.03979	0.7
169.01404	2.8
169.82516	0.5
171.04439	0.7
175.04054	2.6
176.04280	0.9
177.04535	1.2
179.05594	0.9
199.04007	2.4
200.04350	1.2
201.01895	0.5
201.04750	0.7
214.05829	0.6
217.05127	0.7
218.05243	0.8
219.05530	0.7
234.19984	0.6
241.04881	0.8
242.05298	0.6
243.02916	0.7
285.04074	45.8
286.04410	45.3
286.07751	1.1
287.04773	100.0
288.05313	4.9
331.06616	1.2
359.20837	0.6
389.21661	1.1
449.10715	9.5
450.11121	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	eriodictyol-7-O-glucoside
Peak:m/z	Relative Intensity
59.01381	1.0
61.98837	0.7
63.02397	1.4
65.00330	9.3
69.43266	1.2
69.43674	2.5
70.00419	0.5
71.01402	0.5
83.01398	4.6
98.19884	1.1
107.01405	18.7
108.02184	0.7
109.02950	1.7
121.03003	0.5
123.05463	0.6
124.07706	2.5
124.37290	0.5
125.02457	4.9
134.03777	1.0
135.04541	69.1
136.04874	2.6
151.00386	100.0
152.00754	4.0
159.04602	0.7
161.02481	1.5
164.01189	0.9
165.01967	0.5
169.01471	2.5
211.02563	0.6
259.02579	0.6
271.04587	1.0
285.04077	3.4
286.04587	2.8
287.05637	67.5
287.13943	4.2
288.05981	5.2
297.09750	1.1
391.04517	0.6
411.85147	0.5
449.10947	19.2
450.11246	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18217	0.8
57.03465	0.9
59.01393	10.9
61.98825	1.4
69.03474	0.9
69.30175	1.6
69.30591	5.4
71.01393	7.0
73.02961	0.9
83.01394	1.3
85.02962	2.2
88.37121	0.6
88.80886	0.8
89.02464	2.1
93.03464	1.1
96.96012	1.7
97.02972	2.5
101.02454	2.2
103.46186	0.7
105.03450	0.9
107.01460	0.7
109.02967	0.9
110.00137	0.7
111.00877	1.2
111.29586	0.7
113.02460	1.9
117.03488	10.0
119.05033	11.0
121.02999	0.9
123.00842	0.8
125.02460	21.7
127.72196	0.8
132.02156	1.5
133.02977	32.8
134.03688	2.6
135.04543	48.4
136.04890	1.4
137.02489	1.6
139.00354	2.1
139.03946	0.8
140.01149	1.1
145.02917	1.0
149.02481	4.2
149.06071	1.4
149.15022	0.8
151.00360	1.7
159.04562	0.9
161.02461	100.0
162.02760	4.7
163.04036	9.4
167.03491	1.9
168.00687	5.0
169.01239	4.9
170.01779	1.5
177.01942	0.9
177.05580	4.7
178.02722	1.4
179.03516	28.8
180.03838	1.1
193.01472	4.9
193.76013	0.8
203.03574	1.4
220.03752	0.8
221.04628	4.0
258.45544	0.8
263.05750	1.1
269.04623	5.4
280.06027	0.8
285.04031	1.6
286.04312	2.6
287.05325	3.4
297.06665	0.8
313.05737	0.8
314.06418	0.8
323.07751	39.6
324.08087	2.4
330.05478	1.1
389.21802	1.2
439.70084	0.9
449.10913	65.4
450.11093	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	449.109
Annotation	Steppogenin 4'-O-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03462	7.0
59.01381	7.7
61.13657	0.9
61.98836	100.0
62.98548	1.2
63.99246	1.4
65.00322	1.8
65.21027	0.8
71.01385	2.5
81.03456	2.1
83.01406	5.6
89.02452	1.6
93.03461	2.6
93.78880	0.8
98.20708	1.8
101.02470	1.7
107.01403	3.1
109.02947	1.3
113.02468	1.8
117.03398	1.0
119.03536	1.4
123.04535	1.2
125.02456	59.9
126.02804	1.4
127.04071	1.1
139.04056	1.7
149.02431	6.1
151.00391	14.8
152.01126	2.3
153.01952	4.0
153.05409	0.9
163.00330	1.3
166.90915	0.9
167.03589	1.2
169.01521	1.2
169.16843	0.9
172.05272	1.6
173.06119	1.9
177.05586	2.5
178.99864	7.8
179.03453	2.7
197.06090	1.4
199.07631	1.2
201.05527	2.3
215.07224	2.6
225.05547	2.2
241.04955	1.5
243.06630	4.0
259.06119	45.9
260.06442	3.1
269.04565	41.9
270.04916	3.6
273.00439	1.7
275.01062	1.4
287.02393	1.9
287.05624	37.7
288.06012	3.0
294.68872	1.1
449.10910	43.8
450.11478	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64653	0.8
50.78812	0.8
55.01880	1.3
57.03453	1.6
58.00576	0.8
59.01386	100.0
60.01722	10.3
60.71951	0.8
61.01810	1.7
61.98836	38.6
67.01868	0.7
69.03471	1.1
71.01391	16.3
71.05075	0.8
72.01733	3.2
72.99317	1.4
73.02962	2.7
75.00878	0.9
77.13590	0.8
79.95736	1.3
83.01391	2.2
85.02957	6.0
86.03281	1.1
87.00896	1.3
89.02451	16.9
90.02777	4.0
90.24066	0.8
95.01399	2.0
96.96041	1.1
97.02974	1.4
97.46049	0.8
98.20648	2.6
99.00873	1.1
101.02456	15.2
102.02809	3.4
107.01418	2.8
111.00872	1.0
113.02462	10.0
114.02794	2.1
116.84296	0.8
117.03471	1.1
119.03511	7.6
120.03828	1.7
120.70035	0.7
120.99672	1.6
123.00905	2.7
125.01545	1.5
125.02459	24.1
126.02808	2.5
131.03532	1.1
133.02968	1.6
135.04507	1.4
135.98367	1.4
136.99113	1.3
137.02435	1.4
139.00343	0.9
141.01917	1.1
143.03496	1.5
145.02922	1.9
151.00394	1.4
161.02452	2.5
161.04590	5.9
162.02815	1.1
162.04922	1.7
163.04025	1.7
165.01913	2.2
169.01440	26.6
170.01770	4.5
173.02464	0.9
175.04016	1.4
178.99832	1.0
179.05635	3.9
180.05952	1.2
189.01936	1.5
190.02565	1.1
191.03551	6.7
192.03897	2.0
201.01962	1.4
202.02361	1.1
205.24966	0.8
217.01321	4.5
218.01695	5.1
225.14977	1.2
226.15390	2.3
229.01427	2.7
230.01939	1.1
235.02525	4.3
236.02863	2.2
245.00859	3.5
246.01239	5.6
247.02362	1.6
248.02936	2.4
249.04073	2.0
257.00858	1.1
259.06110	2.0
263.02069	0.8
269.04663	2.4
273.00439	11.1
274.00781	21.6
275.01999	7.1
276.02353	3.0
284.03256	1.2
285.03888	3.8
286.04388	3.5
287.05658	2.1
287.09079	1.7
300.99863	14.8
302.00278	6.0
315.98642	1.7
329.14340	1.3
331.59079	0.8
340.53476	2.4
362.74484	0.8
387.20416	4.5
388.20602	39.8
389.21432	4.4
399.69440	1.0
404.13818	0.9
420.02872	10.9
425.54547	3.5
448.02441	7.9
448.09586	3.0
448.14944	2.0
448.22766	1.0
449.03317	2.7
449.10724	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	448.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20078	0.3
57.03444	1.5
59.01387	4.5
60.01724	0.6
61.87769	0.4
61.98836	100.0
65.00338	0.6
68.27279	0.4
69.29648	3.4
71.01399	1.4
79.57950	0.4
81.03458	0.8
83.01410	1.2
83.31046	0.3
89.02459	1.3
93.03498	0.6
97.02950	0.4
101.02467	0.5
107.01402	1.2
113.02467	0.5
117.03495	0.7
121.37052	0.3
123.04498	0.4
125.02458	16.7
133.03044	0.5
134.28947	0.3
136.01682	0.9
137.02483	0.4
139.04074	0.4
149.02481	1.0
151.00386	4.0
152.01131	0.9
153.01974	1.6
161.02567	0.4
162.56541	0.4
165.01994	0.6
169.01443	0.6
173.06110	0.9
175.04042	0.4
177.05663	0.6
178.99858	2.5
179.03497	1.1
181.33527	0.4
189.01927	0.6
190.02448	0.5
197.06151	0.5
201.01889	0.6
201.05583	0.8
208.81123	0.4
215.07169	0.9
217.01408	3.0
218.01730	4.3
219.01921	0.4
225.05623	1.0
230.01698	0.5
241.05112	0.6
242.05951	0.7
243.06731	1.6
245.00905	2.6
246.01248	4.7
247.02336	0.8
248.02815	0.9
258.14261	0.4
259.06128	14.8
269.04565	12.5
273.00461	8.6
273.03317	0.6
274.00775	21.0
275.01340	1.5
276.02472	0.4
287.05627	11.6
349.29553	0.5
388.19504	0.5
389.21939	0.7
419.02478	0.5
420.02878	9.2
421.03372	0.9
448.02405	7.7
448.07974	0.6
449.03378	0.7
449.10916	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	448.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.8
56.19968	0.4
57.03435	0.6
59.01105	0.8
59.01385	10.5
61.01714	0.5
61.98841	3.7
65.00327	1.2
67.01890	1.8
68.99806	0.8
69.35071	4.0
71.01386	2.8
72.99310	1.8
75.00895	0.7
76.37569	0.5
78.01139	0.7
82.00617	0.9
83.01392	2.7
85.02956	1.5
86.00128	0.5
87.00882	1.5
89.02460	0.9
95.01410	0.7
96.99325	1.1
97.02990	0.6
99.00927	0.8
101.02457	1.0
106.00591	0.6
107.01411	1.3
110.00134	2.5
111.00892	13.8
113.02493	0.8
117.03479	0.8
123.00891	3.3
124.01685	9.9
125.02466	11.3
126.02802	0.8
127.00391	5.3
133.02963	3.9
135.04555	5.9
136.98827	8.9
137.02505	0.7
139.00389	15.5
140.01173	21.6
149.02489	0.7
149.42538	0.5
151.00337	1.6
154.99899	2.3
161.02461	11.9
161.04509	0.9
163.04091	0.8
166.99821	1.4
168.00656	100.0
169.01433	23.2
170.01814	1.6
177.04048	3.7
179.03464	3.6
181.01520	0.7
189.04002	0.6
191.03510	1.2
193.01381	1.1
200.13893	0.5
208.54610	0.5
211.02472	2.1
230.76917	0.5
234.78033	0.5
235.02501	0.6
241.03419	2.5
257.03909	0.8
271.04678	0.7
284.03323	2.2
285.03830	7.4
286.04437	7.8
287.05606	1.3
296.05643	0.7
297.06174	5.2
299.99194	0.7
300.99704	3.6
302.00443	1.1
313.05536	1.0
314.06503	13.8
315.06885	0.7
323.07751	4.8
329.05167	10.2
330.05606	1.1
346.05258	1.4
358.09125	0.7
385.11530	1.0
402.11707	2.1
448.10284	9.1
449.10870	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	57.5
71.01385	11.3
72.99332	0.7
73.02948	1.5
83.01405	0.9
85.02953	3.5
87.00889	0.8
89.02448	14.4
89.02940	1.0
98.19831	0.9
99.00887	0.9
101.02442	10.4
111.00892	0.9
112.98811	1.1
113.02454	6.0
117.03448	1.1
119.03513	6.6
120.99727	0.9
121.02941	0.9
123.00877	1.5
125.02460	5.7
131.03510	1.1
133.02979	0.8
143.03470	1.5
145.02940	2.7
157.85143	0.7
161.02438	2.6
161.04570	4.4
163.04044	1.1
169.01408	6.5
173.02455	2.4
175.03900	0.8
179.05656	3.2
189.01955	4.9
190.02592	1.0
191.03529	2.3
201.01926	3.6
203.03592	1.0
217.01425	26.4
218.01811	1.6
225.14963	1.4
229.01422	2.8
245.00912	24.4
245.03421	1.2
246.01347	3.3
247.02489	4.7
257.01056	0.9
259.02631	1.0
261.69876	0.7
269.10251	1.2
273.00424	100.0
274.00885	6.8
275.02008	3.2
276.02292	0.8
283.99829	1.1
285.00351	1.0
299.99011	1.1
300.99924	3.8
303.01465	2.8
346.20648	0.7
387.20248	17.0
388.20529	1.5
401.14728	3.3
419.02573	31.7
420.02881	3.1
447.02002	25.3
447.07669	0.6
447.09064	1.0
447.14679	7.6
448.02426	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	448.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	27.7
60.01717	2.3
61.98839	20.4
61.99163	1.1
65.00334	1.6
67.01890	1.2
68.99828	1.0
69.03468	1.1
71.01389	7.9
71.56551	0.9
72.99319	1.9
73.02958	1.2
75.00841	0.8
78.01144	0.7
78.95895	0.7
83.01404	2.8
85.02980	2.7
87.00890	1.7
87.12429	0.6
89.02461	5.4
95.01412	1.3
97.02975	0.8
99.00883	1.9
101.02464	5.1
107.01425	1.4
110.00116	2.3
111.00895	14.2
113.02425	3.2
119.03545	1.4
120.99724	1.1
123.00902	3.5
124.01677	6.1
125.02458	9.1
127.00388	6.1
134.02528	0.9
136.98820	8.9
137.02432	0.9
139.00383	11.9
140.01184	23.5
141.01738	1.0
151.00369	1.1
152.01125	0.9
154.99852	2.0
161.04558	2.7
163.03923	0.8
166.99895	0.9
168.00661	100.0
169.01430	16.3
170.01848	1.1
176.99657	0.7
177.04120	3.4
179.05565	0.9
181.01425	0.8
189.02090	0.7
211.02574	1.2
217.01421	1.3
225.14964	1.9
226.15318	2.2
241.03642	1.4
246.01277	0.8
257.00613	0.7
273.00500	1.6
274.00879	2.7
286.04416	1.3
297.06229	3.8
299.99103	10.6
300.99533	23.5
302.00131	6.4
313.05728	1.6
314.06464	16.8
315.98792	1.1
329.05133	11.4
330.05414	0.9
346.05563	2.0
371.09790	2.2
388.20679	3.9
389.21848	2.6
396.68216	0.6
401.11105	0.9
402.11566	1.3
404.13599	1.3
448.06046	19.4
448.11264	3.3
448.89191	1.0
449.06094	1.4
449.20367	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	2.4
59.01385	100.0
70.06475	5.0
70.06890	4.1
71.01385	32.1
73.02940	4.1
83.01393	1.9
85.02962	8.2
89.02452	36.9
98.19912	2.3
101.02454	17.8
113.02454	17.9
119.03503	17.2
131.03534	2.5
143.03496	5.2
145.01341	1.8
148.44814	2.1
161.04578	13.3
179.05606	10.4
225.14986	2.9
273.00400	4.0
278.12292	1.8
289.29681	2.5
339.58542	2.2
387.20255	50.6
388.20554	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	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10192	0.6
59.01387	100.0
60.01727	1.4
61.98842	1.9
65.89410	0.6
69.60452	1.3
69.60850	2.5
71.01387	9.7
73.02964	0.7
74.48997	0.6
78.45733	0.6
83.01411	0.7
85.02972	1.6
89.02447	13.5
95.48067	0.6
99.62192	0.6
101.02439	5.0
113.02479	5.2
119.03529	5.2
125.02529	0.7
137.02429	0.7
143.03513	1.9
145.02979	1.2
151.00386	1.4
161.04544	3.5
168.00670	1.3
169.01488	1.0
179.05618	4.5
182.10703	0.7
225.15388	0.7
273.00583	1.2
284.03302	6.6
285.04080	19.2
286.04465	1.1
299.99130	6.3
300.99997	2.5
349.93219	0.8
387.20343	3.5
447.10147	7.1
447.22595	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.9
59.01385	100.0
59.73288	1.8
59.73633	1.8
62.09973	1.9
65.89938	2.2
68.20861	2.0
68.33553	2.3
69.41924	17.9
71.01392	40.8
73.02955	9.2
76.05407	2.1
83.01387	4.0
83.38180	1.9
85.02963	14.9
89.02455	17.0
99.00902	5.0
99.83907	2.2
101.02461	30.9
113.02461	13.7
119.03532	6.5
121.03044	2.7
133.02985	3.6
135.78513	2.2
139.98938	2.3
147.14328	2.6
151.00385	2.8
159.02966	3.1
161.01100	2.2
161.02486	5.1
161.04559	21.5
174.66118	2.2
179.05627	2.8
216.00974	2.3
217.01225	2.2
225.14954	18.3
242.10468	2.4
270.98862	4.4
273.00430	10.1
284.00427	2.1
284.03299	16.0
285.04114	23.6
286.04037	3.4
298.98273	3.4
299.99146	59.8
300.99915	14.8
314.00781	3.5
326.89490	2.3
387.20273	77.3
388.20615	5.0
432.69452	2.2
436.38293	2.8
447.04889	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	447.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	21.0
59.01661	0.8
60.01672	0.4
63.02359	1.0
65.00303	1.5
65.00594	0.3
66.90321	0.4
71.01025	0.3
71.01383	3.3
71.88512	0.3
73.02927	0.6
83.01353	1.2
85.02914	1.4
87.00863	0.3
89.02444	1.9
101.02457	2.2
107.01397	2.3
109.02940	0.7
113.02402	1.2
119.03488	0.5
121.02948	0.3
125.02439	0.3
133.02968	4.4
134.03674	1.3
148.01639	0.5
149.02377	1.1
150.99393	0.4
151.00383	4.6
159.02985	0.4
161.04526	1.4
168.00645	1.1
169.01421	0.7
171.04512	0.4
173.02446	0.4
175.04042	1.8
177.01822	0.3
183.04480	0.8
185.06096	0.6
187.03928	0.5
199.04024	2.1
200.04932	0.7
201.01964	0.6
211.04004	1.3
213.05602	0.4
215.03560	0.5
216.00664	0.4
217.01428	0.7
217.05002	0.6
220.14058	0.3
225.14915	0.9
227.03503	1.5
228.04306	0.5
239.03537	0.5
241.04942	0.4
243.02925	0.5
245.00992	0.5
255.03055	1.8
256.03772	4.0
273.00443	1.0
283.02560	0.5
284.03287	59.2
285.04056	100.0
286.04425	6.4
286.07397	0.6
297.04434	0.3
299.99115	6.3
300.99887	1.4
319.28125	0.4
327.05075	0.9
365.25485	0.3
378.73785	0.4
387.20261	6.3
388.20526	0.6
404.13477	0.4
447.09467	64.3
448.09811	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	447.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36066	0.3
51.76299	0.2
53.26618	0.2
59.01385	0.5
62.96418	1.3
69.36900	2.2
72.21964	0.3
78.69888	0.3
78.95912	37.4
96.96983	2.9
100.38543	0.3
107.01389	0.3
133.02983	0.9
149.00104	19.5
150.00508	0.5
151.00406	0.4
158.92546	2.0
179.01160	2.4
195.77348	0.3
205.16013	1.6
217.05156	0.3
255.25146	0.3
273.00479	0.3
284.03271	0.7
285.04071	11.6
286.04321	1.2
299.99191	0.9
301.00204	0.4
347.08298	0.4
417.12527	0.9
431.10257	1.6
447.13467	100.0
448.13803	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40367	1.0
57.03425	1.5
58.00581	2.3
59.01385	50.9
63.98929	1.1
69.03448	1.2
71.01025	1.9
71.01391	33.2
71.03615	2.5
72.99307	2.6
73.02937	2.0
78.95888	3.1
83.01363	3.3
85.02937	4.9
85.70877	1.0
87.00845	4.0
89.02456	35.2
95.01362	3.7
96.96011	2.7
96.96905	2.7
99.00877	1.6
101.02462	20.0
103.30711	1.1
107.01424	7.4
109.02955	1.2
111.00861	4.2
113.02469	15.3
119.02821	1.2
119.03539	15.7
122.64735	1.0
123.00914	6.9
124.01664	1.9
125.02464	43.6
126.02769	1.7
133.05081	7.8
134.17406	1.2
139.00349	4.3
140.01115	3.6
151.00328	4.2
161.04486	2.6
163.03964	1.4
165.01828	2.1
167.03452	2.5
168.00676	14.7
169.01448	57.2
170.01768	2.3
173.02461	1.3
179.05666	2.4
181.08742	1.3
183.03084	1.4
191.03447	2.2
201.01906	1.3
211.02510	48.3
212.02774	2.0
217.01387	1.9
219.02979	1.2
225.11420	2.0
229.01300	1.9
235.02544	1.2
241.03477	2.0
245.00880	3.2
247.02470	1.6
249.04128	1.0
257.00867	1.4
271.04614	43.5
272.04858	2.6
273.00397	9.2
275.01834	2.4
284.03030	2.7
295.10376	100.0
296.10864	5.7
299.99039	4.4
300.99933	13.4
302.00180	1.8
312.99673	1.2
313.05655	9.5
314.06073	1.6
328.99475	6.2
331.06607	4.5
342.61664	1.1
344.66666	1.1
356.98825	3.7
387.09204	1.4
403.09140	1.4
447.01450	4.8
447.11212	91.9
448.11539	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	447.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.9
59.01388	20.8
67.01910	0.8
69.03445	1.1
69.41968	6.3
71.01390	18.6
72.99310	1.0
73.02944	4.7
79.01902	1.7
80.78202	0.7
83.01401	0.8
85.02966	4.8
87.00889	13.0
87.04523	6.4
89.02451	14.4
95.01379	3.5
97.02950	0.9
101.02430	5.7
103.04035	0.9
107.01405	8.7
111.00871	1.6
113.02457	9.8
115.04079	0.8
118.45813	0.7
119.03529	1.0
119.14703	0.7
123.00904	19.6
125.02460	38.1
126.02779	0.9
129.05515	0.8
131.03487	3.2
133.05086	81.4
134.05382	1.6
136.98801	0.9
137.02454	1.1
139.00377	7.4
140.01135	2.3
141.01920	3.5
143.03444	0.9
151.00381	16.7
153.01985	0.9
161.04564	1.0
165.01990	4.0
167.03432	1.2
168.00656	4.3
169.01443	76.9
170.01752	3.2
175.06107	2.0
180.04271	5.0
183.02974	1.1
193.01352	1.8
195.02948	1.9
195.06622	6.9
210.05339	3.5
211.02502	15.3
223.02415	0.8
225.07697	16.8
256.30316	0.8
271.04626	4.5
295.10263	1.5
300.99841	2.2
313.02341	1.0
313.05698	10.8
331.06732	10.2
361.16498	0.7
387.09348	2.0
403.08810	12.3
409.06735	0.8
447.11328	100.0
448.11603	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	447.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00304	0.5
69.82999	0.3
70.02457	0.5
70.02849	0.5
77.86906	0.3
83.01395	0.5
88.12881	0.3
107.01410	1.3
133.02963	6.5
133.03903	0.6
149.02425	1.6
151.00371	3.8
171.04468	0.4
175.04021	2.2
197.06012	0.3
198.03264	0.4
199.04004	2.0
201.01904	0.5
215.03391	0.3
217.05064	1.3
241.05025	1.0
243.02844	0.3
256.03726	1.5
257.04526	0.4
284.03278	2.2
285.04056	100.0
286.04391	8.0
447.09326	25.7
448.09561	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	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	7.5
61.04931	0.7
61.98820	1.9
69.60373	1.7
69.60804	3.0
89.02457	1.2
98.19942	0.8
99.37616	0.7
101.02446	0.8
107.01382	1.3
125.02519	0.7
129.15924	0.6
135.00905	0.8
151.00362	2.1
168.00552	0.9
169.01450	1.1
178.99873	1.0
180.38345	0.7
183.04530	1.4
185.06096	0.7
200.04720	0.6
211.03976	2.1
227.03513	74.6
228.03835	6.8
229.05109	2.1
255.03004	88.1
256.03580	12.0
257.04385	1.2
284.03284	65.8
285.04016	32.9
286.04428	2.6
299.99310	3.4
300.99658	0.8
327.05283	0.8
370.02582	0.7
447.09378	100.0
448.09775	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	447.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25152	0.2
59.16827	0.2
63.02404	0.3
65.00330	1.0
65.83219	0.2
69.28809	1.8
83.01395	0.6
90.38948	0.2
105.03462	0.4
107.01399	2.4
116.21357	0.2
116.22220	0.2
121.16286	0.2
132.02246	0.2
133.02966	9.6
134.03296	0.4
149.02443	1.8
151.00378	5.5
161.61098	0.2
171.04561	0.3
175.03983	2.7
185.05986	0.4
197.06189	0.3
198.03305	0.4
199.03998	2.8
201.01984	0.9
213.05542	0.5
217.05110	1.8
223.04135	0.3
241.05110	0.8
243.03020	0.6
256.03879	0.3
257.04428	0.3
267.03079	0.4
272.85526	0.2
284.03375	0.5
285.04071	100.0
286.04431	7.5
447.09344	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	447.0573
Annotation	Eschweilenol C
Peak:m/z	Relative Intensity
58.30006	0.3
59.01371	1.0
69.73366	0.5
69.73779	0.8
74.77951	0.3
82.62734	0.3
93.57331	0.3
101.02477	0.3
110.40813	0.3
127.75571	0.3
132.02168	0.6
140.25661	0.3
155.99007	0.3
160.01651	0.6
172.01685	1.1
185.02425	0.3
188.01236	0.6
200.01166	2.0
201.01938	0.3
204.37444	0.2
216.00667	2.1
226.99866	0.6
228.00652	0.6
229.01268	0.4
242.99248	1.5
244.00153	2.4
245.00763	0.4
252.89052	0.3
257.00970	0.4
270.98849	0.9
271.99527	1.0
273.00330	0.6
283.99695	0.4
285.00262	0.6
298.98447	1.0
299.99130	100.0
300.99765	20.7
301.03436	0.5
302.00360	1.3
447.05719	49.4
448.06064	5.8
451.74014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01117	0.4
59.01385	6.3
63.02403	1.2
65.00311	0.9
69.44028	0.6
69.44437	1.7
71.22048	0.3
82.55619	0.2
83.01390	1.1
89.02434	0.4
101.02421	0.4
107.01408	2.7
109.02969	0.7
112.90402	0.3
113.02379	0.3
121.02947	0.6
125.02413	0.5
133.02036	0.5
133.02965	4.4
134.03674	0.8
145.02994	0.3
146.82939	0.3
148.01683	0.3
149.02516	1.5
149.03583	0.4
149.99573	0.5
151.00377	5.1
161.04544	0.4
168.00693	0.6
171.04446	0.4
175.04037	1.4
183.04489	0.3
187.04063	0.6
188.04927	0.4
199.04054	1.9
199.66641	0.3
200.04732	0.9
201.01964	0.3
211.04008	0.8
212.04665	0.5
213.05580	0.4
215.03552	0.4
217.05093	1.2
227.03540	1.6
228.04196	0.4
239.03473	0.7
241.05087	0.6
243.02995	0.6
255.03004	1.4
256.03802	4.0
257.04337	0.3
267.02853	0.4
268.43774	0.3
273.00421	0.7
283.02548	0.6
284.03281	57.9
285.04047	100.0
286.04395	7.2
297.04059	0.6
299.99170	2.6
300.99719	0.5
327.05121	1.0
387.20251	1.8
447.09375	68.9
448.09708	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	447.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01326	52.1
59.01652	4.3
61.98786	1.4
63.02370	1.5
65.00295	0.8
67.01853	0.8
69.03423	1.5
69.22537	2.0
69.22964	5.4
71.01391	4.1
72.99281	0.8
73.02895	0.7
74.21914	0.7
79.01845	0.9
82.41143	0.8
83.01347	1.6
85.02918	1.5
85.91824	0.7
87.00819	1.0
89.02466	4.4
91.18092	0.9
93.03407	0.9
95.01368	1.5
97.02901	0.8
98.81358	0.8
101.02369	2.3
106.67362	0.8
106.78141	0.7
107.01420	7.4
109.02950	0.7
111.00840	2.1
113.02423	1.5
115.32833	0.7
119.03517	1.0
119.04999	1.1
123.00911	3.6
124.01656	1.0
125.02464	32.7
126.02734	0.7
129.03430	1.0
133.02972	5.8
134.03670	1.1
135.04459	1.6
136.98747	1.6
138.30064	0.7
139.00330	1.4
140.01088	3.0
145.02882	1.8
147.04512	1.8
148.01628	0.8
149.02460	1.8
151.00362	5.3
151.03955	0.8
159.02921	0.9
159.04509	0.7
161.02396	3.2
161.04509	2.4
163.03975	2.1
164.74374	0.8
165.05597	0.9
166.99770	0.8
168.00671	8.2
169.01443	37.6
170.01735	2.7
173.02405	2.4
174.98579	0.7
175.03957	2.5
177.01924	1.4
179.05574	1.7
185.02458	1.4
189.01889	3.1
191.01955	1.3
191.03522	12.2
192.03758	1.1
199.03981	1.9
201.01941	1.8
202.02429	0.9
203.03439	1.8
211.04076	1.2
215.03326	0.8
217.01376	1.6
217.05020	1.3
227.03520	1.8
229.01453	2.7
231.02937	1.2
235.02516	10.3
236.02852	1.1
241.05170	1.1
245.00827	2.6
247.02298	1.4
248.03209	3.2
249.03958	3.1
255.02895	1.2
256.03772	3.1
257.00970	1.6
257.04315	1.0
258.01630	0.9
273.00388	4.6
275.02020	10.5
276.02356	1.0
284.00824	1.3
284.03281	57.2
285.04068	100.0
286.04346	7.0
299.99106	12.1
300.99902	28.8
302.00195	3.3
327.04648	2.3
329.05310	4.0
340.03372	2.0
340.53604	0.9
387.20425	2.8
402.11868	1.6
402.33206	0.8
425.04269	5.7
425.54843	2.4
447.09552	64.3
448.09915	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	446.1461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22886	0.9
53.24743	0.9
55.01875	3.1
57.03416	0.9
59.01385	32.6
61.98839	1.9
69.23042	8.8
71.01389	28.4
73.02955	10.3
76.56229	0.8
83.01389	3.2
85.02968	11.7
89.02455	4.2
93.03447	1.6
95.01369	3.4
97.02992	1.1
99.00887	3.0
101.01797	1.3
101.02453	18.0
106.06645	4.2
107.01380	1.9
113.02462	14.4
121.98816	0.9
125.02513	1.6
128.65872	0.9
133.02940	7.8
136.57004	0.9
143.03455	2.4
149.02417	1.3
150.05643	3.1
151.00409	5.3
154.09584	1.0
159.02992	4.8
161.04568	73.3
162.04932	2.9
175.03986	2.6
188.05788	4.6
188.07289	1.3
199.03992	1.6
205.03413	1.2
217.05132	2.1
223.06239	1.1
227.07150	1.8
241.05148	1.0
267.06580	2.7
273.00330	1.9
284.03284	2.1
284.06329	1.6
285.04071	100.0
299.99179	5.3
300.99838	1.3
447.09906	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.021
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54967	0.4
50.80802	0.4
57.87844	0.5
59.01388	42.1
60.01714	3.4
61.01805	1.4
61.45223	0.5
61.98835	10.6
69.49217	2.9
71.01391	11.3
72.01723	1.4
73.02958	1.9
85.02964	3.6
86.03328	0.9
89.02451	8.1
90.02798	0.7
95.01389	0.7
98.20715	0.9
99.00880	1.1
101.02463	5.5
102.02789	1.0
112.98814	0.9
113.02465	4.7
113.06058	0.5
114.02813	1.4
115.02944	0.5
117.03495	0.8
119.03512	2.6
125.02444	1.4
133.02968	1.1
138.06865	1.7
139.07321	0.8
145.02969	2.4
151.07681	2.1
152.08476	3.1
152.09496	0.5
153.09238	8.2
154.09599	5.8
155.09845	0.8
159.03044	0.9
160.03261	0.5
161.02470	2.8
161.04570	4.7
162.04907	1.7
163.03995	0.7
169.01370	0.9
173.02435	3.5
179.05627	1.5
189.01970	5.1
190.02594	0.9
191.03508	1.5
201.01987	3.3
205.12366	2.1
206.12679	3.2
217.01440	24.9
218.01990	2.4
219.02925	1.0
223.13487	2.6
224.13791	3.5
225.11514	0.6
225.13980	0.8
229.01451	2.9
230.01875	0.6
245.00935	27.6
246.01535	3.4
247.02534	6.3
257.01089	0.6
259.02530	0.9
271.99756	0.6
273.00436	100.0
274.00854	9.2
275.02048	3.0
278.01096	0.7
285.00494	1.1
285.03946	0.7
299.02023	1.2
300.99994	1.5
303.01422	2.7
315.01398	0.8
385.18677	0.9
386.18973	6.1
387.19806	4.6
419.02594	43.1
420.02859	4.4
447.02081	25.0
448.02277	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	446.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97945	0.2
59.01390	2.0
61.98829	0.4
64.85259	0.2
69.83261	0.4
69.83656	0.5
71.01386	0.7
80.91698	0.2
87.00893	0.2
89.02446	0.3
92.52112	0.2
95.01386	0.2
101.02457	0.3
107.01408	0.4
108.02188	8.8
117.03490	3.5
119.05021	0.8
121.03011	0.3
125.02488	0.2
133.02956	1.8
138.01985	100.0
139.02325	2.9
145.02966	9.9
146.03302	0.3
149.02496	0.3
151.00394	0.9
157.43483	0.2
163.04062	0.5
175.04059	0.6
196.37321	0.2
199.03996	0.5
201.01996	0.3
217.05110	0.4
241.04909	0.4
243.03084	0.3
256.03754	0.3
265.07187	0.3
273.00482	0.4
284.03345	0.6
285.04074	22.3
299.99152	1.2
300.99979	0.2
307.08231	1.7
446.10660	0.2
447.09924	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	446.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29216	0.1
59.01377	0.8
69.41473	1.0
71.01393	0.3
77.38467	0.1
80.52466	0.2
89.02456	0.3
98.19936	0.3
107.01400	0.2
108.02187	9.3
109.02488	0.2
109.69662	0.1
111.04625	0.1
117.03471	3.3
118.03838	0.1
119.05043	0.9
123.04575	0.2
125.02454	0.6
127.62515	0.1
133.02985	0.3
138.01985	100.0
139.02327	2.7
145.02966	9.1
145.04147	0.3
145.04671	0.2
146.03310	0.5
146.42638	0.1
151.00479	0.3
153.05544	0.2
161.06168	0.2
163.03975	0.5
169.01450	1.0
170.01782	0.3
180.62601	0.1
184.51820	0.1
205.05104	0.2
242.89957	0.1
249.41467	0.1
265.07306	0.4
271.11047	0.1
284.03513	0.2
285.04074	5.0
285.07141	0.3
299.99121	0.3
307.08203	1.3
310.75940	0.1
346.36584	0.1
446.11246	0.3
447.09778	0.2
447.22406	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.7
59.01386	100.0
59.62737	0.5
60.01720	0.9
69.53638	3.8
71.01387	13.4
72.99330	0.7
73.02965	2.3
81.27374	0.5
85.02950	3.5
87.00880	0.7
87.10507	0.6
87.15105	0.5
87.85175	0.6
89.02454	17.1
95.01418	0.8
101.02464	8.0
109.02950	1.0
111.00922	0.5
113.01339	0.5
113.02473	5.9
119.03512	6.8
123.00920	0.6
123.04556	0.9
125.02486	1.1
126.13221	0.6
130.07030	0.6
137.02484	2.6
143.03561	1.6
145.02966	0.8
148.00565	0.6
149.04657	0.5
153.05652	1.4
153.09328	1.5
159.03014	0.7
161.04565	5.7
169.01486	1.4
179.05626	3.3
179.10791	1.3
187.11353	0.7
205.12448	1.9
223.09801	0.7
223.13435	3.9
233.12032	0.7
244.99857	0.5
329.75507	0.5
341.16257	0.7
385.18719	3.3
445.17053	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	445.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
58.00614	1.2
59.01386	100.0
69.45509	4.3
71.01391	21.8
72.99334	0.8
73.02966	1.9
83.01397	1.1
84.24407	0.6
85.02953	5.3
85.06602	0.7
87.00864	1.1
89.02454	29.8
90.59380	0.7
95.01414	1.3
97.02956	0.7
101.02452	12.0
113.02466	10.6
119.03508	13.4
123.00907	1.3
125.02502	3.2
125.06108	1.1
131.03459	0.9
131.07184	2.7
139.00375	0.8
143.03508	1.4
146.92291	0.7
149.04707	1.1
151.00377	1.0
153.09241	1.3
161.04556	4.6
169.01395	4.2
178.85219	0.7
179.05626	5.6
187.11293	3.3
194.45068	0.8
205.12335	14.9
205.14069	1.1
206.12924	1.1
211.02571	1.0
223.13535	1.9
283.12692	0.7
293.12515	0.9
328.65207	0.8
338.62415	0.7
385.18887	1.0
445.04132	0.8
445.13052	2.5
445.18301	4.8
446.18225	0.8
459.02634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86395	0.4
55.01886	0.5
55.60716	0.3
58.00594	0.6
59.01385	100.0
60.01731	1.0
66.70195	0.3
71.01387	8.2
72.99318	0.6
73.02969	1.4
75.00866	0.6
83.01440	0.4
85.02959	2.2
87.00894	1.1
89.02451	10.6
90.32474	0.4
95.01443	0.4
96.29670	0.4
98.19900	1.3
101.02460	6.5
113.02456	4.9
117.03513	0.3
119.03531	4.9
125.02482	0.8
129.02019	0.6
131.03490	0.5
143.03551	1.0
145.02896	0.7
149.04645	0.6
153.09302	0.7
159.03076	0.6
161.04553	3.7
165.09265	1.3
169.01460	0.8
179.05591	2.4
180.06006	0.4
187.11249	1.9
205.12361	3.3
209.11874	0.5
223.13519	0.5
229.31505	0.6
233.11896	1.5
259.13394	0.5
277.14618	1.3
285.04248	1.7
341.74780	0.4
356.11395	0.4
385.18677	2.9
445.17352	1.7
455.81540	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.2
59.01387	100.0
70.57832	4.4
71.01392	30.5
72.99312	2.0
73.02947	6.2
75.32211	2.1
79.93988	1.8
85.02956	6.8
87.00882	3.8
89.02444	26.7
95.01414	2.4
99.00912	3.4
101.01996	1.6
101.02471	17.5
107.90060	2.0
113.02445	14.1
119.03489	9.3
125.02440	8.4
131.03532	5.1
137.09816	2.2
137.95755	1.9
143.03563	1.9
153.09258	2.8
160.08928	2.3
161.04591	15.5
163.11320	14.0
169.01389	10.7
175.11334	8.8
179.05556	6.1
179.10796	3.5
187.11211	5.5
205.12343	85.2
206.12650	5.3
211.02527	2.6
221.06758	12.3
244.99840	2.0
293.12042	3.8
367.17493	2.1
385.19003	2.0
427.14441	2.6
445.16980	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	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.2
59.01385	100.0
59.29144	0.5
59.79461	0.5
60.01725	1.5
67.01914	0.6
71.01389	23.0
72.99313	1.2
73.02967	1.6
78.52002	0.5
83.01386	1.3
83.05047	2.1
85.02964	4.0
87.00867	1.8
89.02452	32.6
95.01369	2.0
101.02450	13.2
107.01395	1.2
111.00824	1.3
113.02464	11.1
119.03516	13.0
121.06652	0.7
123.00896	5.0
123.04541	0.7
125.02463	7.2
131.03513	1.2
138.06856	0.7
139.00360	1.4
140.01143	1.6
143.03453	2.6
144.03868	0.7
149.04524	1.4
151.00374	4.1
151.07549	0.8
152.08461	1.4
153.09212	3.5
161.04605	4.5
163.44858	0.5
168.00583	1.9
169.01447	10.6
179.05617	16.0
205.12201	2.4
211.02533	5.8
223.13313	1.7
238.97426	0.6
241.03589	0.6
271.04596	7.0
293.12433	3.5
300.99997	2.9
385.18753	4.2
427.12012	0.9
445.12817	28.1
446.12985	3.2
462.92029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00598	1.2
59.01385	100.0
59.29144	0.5
59.79461	0.5
60.01725	1.5
67.01914	0.6
71.01389	23.0
72.99313	1.2
73.02967	1.6
78.52002	0.5
83.01386	1.3
83.05047	2.1
85.02964	4.0
87.00867	1.8
89.02452	32.6
95.01369	2.0
101.02450	13.2
107.01395	1.2
111.00824	1.3
113.02464	11.1
119.03516	13.0
121.06652	0.7
123.00896	5.0
123.04541	0.7
125.02463	7.2
131.03513	1.2
138.06856	0.7
139.00360	1.4
140.01143	1.6
143.03453	2.6
144.03868	0.7
149.04524	1.4
151.00374	4.1
151.07549	0.8
152.08461	1.4
153.09212	3.5
161.04605	4.5
163.44858	0.5
168.00583	1.9
169.01447	10.6
179.05617	16.0
205.12201	2.4
211.02533	5.8
223.13313	1.7
238.97426	0.6
241.03589	0.6
271.04596	7.0
293.12433	3.5
300.99997	2.9
385.18753	4.2
427.12012	0.9
445.12817	28.1
446.12985	3.2
462.92029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14280	0.4
57.30325	0.4
58.00603	0.4
59.01390	5.4
61.75824	0.4
65.00291	0.5
67.01911	1.0
69.03477	0.6
69.67104	1.8
69.67516	0.8
71.01388	8.1
73.02954	6.5
79.01888	1.1
83.01388	1.0
85.02965	3.0
87.00888	1.3
89.02467	2.1
91.26118	0.4
95.01389	2.3
97.02951	0.8
99.00911	0.4
100.37972	0.4
101.02449	2.9
103.04008	0.8
107.01401	6.6
111.00914	1.0
113.02462	2.7
119.06779	0.4
123.00901	13.3
123.04528	0.4
124.01732	0.5
125.02459	26.2
126.02770	1.0
127.00375	0.5
131.03529	4.0
136.98796	0.8
137.02426	1.1
139.00395	4.5
140.01147	1.8
141.01941	1.5
143.03500	0.8
151.00395	9.5
151.59169	0.4
153.02051	0.4
155.96561	0.4
163.04021	0.5
167.03487	0.7
168.00659	3.2
169.01442	39.4
170.01820	1.3
177.05579	1.1
179.03516	0.6
195.06609	0.9
211.02495	3.3
239.05583	1.1
241.03624	0.5
253.03622	1.2
271.04654	2.7
300.51944	0.5
300.99649	0.4
301.88770	0.4
313.05682	7.5
314.06253	0.6
371.54840	0.6
385.07458	0.6
387.09433	3.7
399.09271	1.6
417.10574	1.1
441.08691	0.5
445.09869	100.0
446.10193	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	445.078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01151	0.3
59.01387	4.2
61.98840	0.3
64.29908	0.3
65.00344	0.4
65.91143	0.3
67.01898	0.5
68.99829	0.4
70.94691	0.3
71.01396	2.2
71.34245	0.6
73.02975	0.4
76.83555	0.3
83.01418	0.5
85.02969	0.6
87.02009	0.3
89.00352	0.3
89.02451	0.7
91.01933	0.3
94.10732	0.3
101.02457	1.1
106.06628	0.5
108.63600	0.3
111.00896	0.4
113.02445	0.8
121.02995	0.5
131.03209	0.3
133.02950	6.2
135.00905	0.9
136.50194	0.3
137.02510	0.6
149.02444	0.7
150.05649	0.6
151.00343	0.6
153.02016	0.4
153.09169	0.5
159.02972	0.5
160.04021	0.7
161.04581	2.7
175.00377	1.4
175.04030	2.3
176.98338	1.6
177.01921	2.2
178.99879	9.9
180.00252	0.4
182.04651	0.5
198.03183	0.4
199.04008	2.6
200.04628	0.4
201.01979	2.3
215.22873	0.3
217.05049	0.4
223.07524	0.3
223.13466	0.3
227.03511	1.7
239.03435	0.6
241.05035	0.9
243.02985	1.2
255.02951	0.8
256.03790	0.6
257.04514	0.3
267.03052	0.9
269.01031	0.3
276.87457	0.4
277.68124	0.4
283.02448	0.7
284.03305	3.2
285.04016	2.6
311.02026	8.2
312.02768	4.8
313.03558	100.0
314.03879	7.1
360.92545	0.4
385.18423	0.5
445.07758	23.9
445.24442	0.8
446.07895	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	443.317
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
59.01364	2.0
61.98840	1.4
71.05025	22.5
71.57339	1.4
75.35130	1.5
123.77650	1.3
133.26802	1.3
134.78040	1.3
183.85857	1.7
302.00653	1.5
340.71500	1.4
379.30130	7.0
411.28815	1.6
416.98499	1.5
425.24869	2.4
425.30652	48.6
426.30905	5.4
443.31686	100.0
444.32031	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	443.317
Annotation	5alpha,9alpha-Epidioxy-(22E)-ergosta-7,22-diene-3beta,6beta-diol
Peak:m/z	Relative Intensity
59.01397	0.6
61.98823	0.5
62.64399	0.3
69.46615	2.5
72.99348	0.3
82.93080	0.3
83.05049	1.0
97.06583	0.5
167.61256	0.3
175.94164	0.3
178.79111	0.3
300.99902	0.4
363.26920	0.6
367.30084	0.9
369.27875	2.0
379.30173	2.7
381.31543	1.5
383.29333	0.4
395.30066	0.4
397.31161	0.9
399.32770	13.2
400.33286	1.8
414.37418	0.3
425.30630	1.0
443.31702	100.0
444.32047	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	443.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45944	0.4
67.09255	0.4
70.43043	1.5
74.99082	1.0
79.49165	0.4
149.35619	0.5
159.08485	4.3
161.06407	1.0
180.28830	0.5
197.58009	0.5
217.07228	1.1
223.39230	0.4
261.04434	0.9
277.07541	2.6
299.69644	0.5
343.12207	0.9
345.13690	1.3
357.13950	2.6
359.15363	100.0
360.15491	14.3
377.16418	0.6
425.20114	1.0
427.21613	52.0
428.21851	10.4
443.24802	7.7
444.24927	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	443.1926
Annotation	Mitoxantrone
Peak:m/z	Relative Intensity
55.01880	1.7
57.03447	1.7
58.00594	1.5
59.01386	39.8
60.01725	0.6
69.69050	3.3
71.01390	29.4
72.99310	2.2
73.02952	5.2
75.00874	0.6
81.03471	0.6
83.01380	3.7
83.05035	0.9
85.02959	9.4
87.00880	1.4
89.02453	16.8
95.01389	2.8
96.96014	1.1
97.02962	0.6
98.19920	0.6
99.00895	2.2
101.02456	21.5
111.00928	0.8
111.04516	1.1
112.40509	0.6
113.02460	10.9
119.03510	6.8
123.00871	0.7
123.08188	0.7
125.02448	1.6
128.00777	0.5
131.03549	0.6
143.03555	0.9
151.00372	0.5
159.03030	0.7
161.04581	2.1
168.00601	0.5
169.01405	2.0
171.11800	0.6
179.05583	0.7
189.12894	1.7
193.01404	1.5
193.05028	0.9
207.02876	0.7
211.02484	1.4
219.03021	1.1
237.14920	1.0
263.01999	0.5
271.04639	2.2
281.03046	2.4
383.57516	0.5
416.21881	0.6
443.08514	2.8
443.19235	100.0
444.19589	11.4
444.76044	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.7
59.01380	9.9
60.22143	0.6
60.60297	0.6
65.03967	0.7
67.01907	1.4
69.03461	1.0
69.33376	6.0
71.01389	9.3
72.99328	1.0
73.02975	1.3
73.49094	0.7
79.01899	1.4
83.01399	1.7
85.02969	2.8
87.00877	1.2
89.02457	2.8
90.20281	0.7
95.01405	1.9
97.02962	0.9
101.02442	4.3
106.76390	0.6
107.01399	8.5
109.08495	0.8
110.00118	0.7
111.00881	3.3
111.04540	3.0
113.02490	2.5
117.03471	1.0
119.05045	0.9
123.00888	13.1
124.01683	4.2
125.02456	41.8
126.02815	0.9
127.00372	1.5
129.05632	1.4
136.98824	1.9
137.02405	1.1
139.00397	6.3
139.03984	1.2
140.01173	5.6
140.14229	0.7
141.01933	2.3
145.02956	5.1
151.00380	7.9
153.01976	1.0
163.03981	1.9
165.01956	1.2
166.99915	0.8
167.03592	1.2
168.00653	16.2
169.01437	58.9
170.01794	1.7
181.01338	0.8
181.05025	0.7
183.03046	0.8
193.01314	0.8
209.65855	0.7
211.02492	60.4
212.02815	2.8
236.43907	0.8
241.03549	2.4
253.03506	1.2
271.04602	100.0
272.04947	5.4
291.10861	1.9
301.00098	0.9
313.05661	2.9
331.06757	14.7
332.07083	0.9
443.11877	85.7
444.12280	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69759	1.2
59.01389	100.0
61.98840	11.0
65.66131	1.3
69.39622	6.3
69.40041	4.7
71.01395	8.0
71.05032	4.9
73.02943	1.5
78.95917	2.7
83.01384	2.0
85.02965	3.6
87.00966	1.4
89.02425	1.9
95.01361	1.7
95.13739	1.3
96.96029	4.4
97.02993	3.6
101.02463	8.1
113.02473	3.9
113.06104	6.3
119.03477	2.1
121.02962	3.3
123.00922	2.4
125.02456	24.9
134.03758	4.1
138.01984	2.7
139.02319	1.9
139.04128	1.2
145.03030	1.3
149.09721	1.9
155.83258	1.3
161.02393	1.8
161.04509	3.1
169.01410	6.5
176.83699	1.3
179.10799	4.3
192.52054	1.4
221.08235	21.8
221.11691	1.8
300.99350	2.6
302.10641	1.4
313.05573	1.7
322.18170	1.4
403.11917	1.5
443.05997	3.1
443.14667	3.1
443.19650	5.5
443.31903	1.6
444.16263	2.6
446.24332	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91330	0.5
59.01122	0.6
59.01384	13.0
60.75618	0.5
61.98819	1.7
62.06253	0.5
67.01888	0.6
68.83517	0.6
69.03459	0.9
69.61076	3.4
71.01392	7.1
72.99315	0.8
73.02966	0.9
74.17557	0.6
76.40233	0.6
81.03455	0.6
83.01351	1.3
85.02955	2.0
87.00878	1.3
89.02451	3.1
95.01388	1.6
96.95982	2.8
99.00901	0.7
101.02462	4.5
107.01395	6.1
108.02210	1.1
111.00869	2.9
113.02485	3.3
116.92840	1.0
119.03508	1.3
119.05042	1.5
121.02974	0.9
123.00896	7.3
124.01650	3.2
125.02458	30.9
126.02792	1.6
127.00431	0.8
129.05592	1.9
131.67052	0.6
136.98824	1.7
137.02315	0.7
139.00406	4.0
140.01170	3.7
141.01929	1.2
145.02959	0.8
151.00381	5.1
152.01115	1.8
161.04712	0.7
163.03841	0.6
164.34203	0.5
165.01962	1.5
166.85144	0.5
167.03522	3.0
168.00655	14.2
169.01439	44.3
170.01768	1.2
183.03064	0.7
211.02493	60.8
212.02800	2.2
235.11758	1.5
236.12010	0.6
237.12228	0.8
241.03551	1.0
271.04599	100.0
272.04938	5.9
291.10654	1.2
313.05673	1.4
331.06729	12.2
381.17273	0.9
382.18304	0.8
383.18057	2.3
443.11935	49.6
444.12296	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	443.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17704	0.8
59.01390	6.1
67.01891	1.5
70.98455	0.7
71.01384	10.0
71.56445	1.3
73.02953	2.0
77.52490	0.8
77.95838	0.7
79.01913	1.2
83.01402	8.9
85.02960	3.6
87.00871	1.3
89.02449	2.0
93.13957	0.9
95.01403	2.1
96.96014	4.2
97.02964	2.5
99.00900	0.9
101.02456	4.0
102.86346	0.7
107.01389	9.6
109.02948	1.0
111.00895	18.1
112.01194	1.1
113.02464	3.1
118.41526	0.8
119.03535	0.9
119.49162	0.9
123.00900	10.4
124.01713	2.7
125.02462	66.5
126.02783	2.2
129.01958	1.5
136.98848	0.8
137.02475	2.4
139.00398	4.0
140.01160	2.4
141.01894	1.3
151.00392	7.9
152.01253	0.9
153.01955	0.9
167.03513	1.3
168.00685	4.1
169.01440	100.0
170.01794	4.3
179.03442	1.6
191.03549	1.3
193.01439	1.3
194.99370	1.3
207.03038	1.0
211.02525	5.8
219.02887	1.9
237.04141	1.6
241.03656	5.0
271.04684	4.5
278.43503	0.8
281.03116	2.8
281.06741	1.2
286.82495	0.9
300.99878	1.3
313.05679	91.4
314.06061	5.9
331.06879	1.0
413.07260	5.9
425.07303	69.5
426.07504	5.9
443.08133	4.8
443.12796	3.1
443.18994	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	441.3378
Annotation	5alpha,8alpha-epidioxysterol
Peak:m/z	Relative Intensity
52.04588	0.3
57.03442	0.7
58.98816	0.3
69.03453	1.3
70.57256	1.1
71.05025	1.8
73.56824	0.3
95.05003	0.4
96.96005	1.2
97.06596	2.4
105.87582	0.3
110.11626	0.3
111.08154	2.2
137.09793	0.4
163.11359	0.4
189.12851	6.1
191.14426	11.8
192.14771	0.9
197.26216	0.4
205.12364	0.4
273.18719	1.6
289.21677	1.1
327.23059	0.4
339.23444	0.4
351.23306	0.5
356.05750	0.3
367.26309	1.0
375.26996	0.6
403.30157	0.7
405.27130	0.5
405.31973	0.8
406.31992	0.4
407.29416	1.0
408.29657	0.4
421.31070	3.2
422.31577	0.4
423.32690	11.0
424.33142	1.5
439.32016	1.7
441.33740	100.0
442.34085	14.5
442.40268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	3.7
61.98829	1.4
71.57008	1.8
77.67306	1.1
80.55081	1.3
92.19196	1.3
96.96021	1.8
124.07674	1.8
144.04547	1.3
149.66841	1.2
150.93515	1.1
157.84805	1.1
158.02470	2.2
158.09663	1.2
160.03990	1.9
170.09747	1.6
180.80098	1.1
186.01982	49.4
186.05612	4.4
187.02657	6.1
188.03555	2.9
188.07234	2.1
200.07082	1.4
214.08824	1.5
214.12315	2.7
215.09564	1.6
217.00336	1.7
218.04588	75.6
219.01692	3.2
219.05203	5.6
219.14233	1.4
229.10965	1.3
230.11806	3.8
244.09804	3.1
258.11398	7.9
259.11609	1.5
273.10110	3.5
273.13675	3.4
274.10895	5.7
299.99185	3.6
300.99982	1.8
305.12726	10.2
311.10367	3.4
317.12738	4.8
343.13159	1.5
349.11523	6.4
385.41187	1.2
397.17523	1.5
397.21490	18.4
398.21658	1.9
441.20325	100.0
442.20682	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3377
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
50.17071	0.2
56.31447	0.2
57.03440	0.5
60.99304	0.3
69.03468	1.1
69.29441	0.7
69.29861	0.7
71.05035	2.3
85.06580	0.6
95.05029	0.5
97.06603	2.9
109.06562	0.3
111.08178	2.7
121.06572	0.3
123.08149	0.2
125.09698	0.2
126.39462	0.2
133.06644	0.3
135.08156	0.2
137.09766	0.8
139.11272	0.3
145.06558	0.2
149.09688	0.2
151.11296	0.2
161.09760	0.2
163.11311	0.8
177.61319	0.2
189.12866	7.1
190.13182	0.5
191.14426	12.9
192.14749	0.8
201.12779	0.2
203.14397	0.5
205.12306	0.5
215.14340	0.2
235.13303	0.4
249.18584	0.6
255.17606	0.2
273.18588	1.6
289.21722	1.9
323.23773	0.2
327.23392	0.2
329.24667	0.2
337.21744	0.5
339.23401	0.5
349.21375	0.2
351.23260	0.3
351.27356	0.2
365.24503	0.2
367.26199	1.2
369.28198	0.2
373.25543	0.2
375.26962	1.1
387.27057	0.3
389.28635	0.7
391.26489	0.6
393.28043	0.5
395.29608	0.5
395.48990	0.2
403.29962	0.7
405.32095	1.3
406.31967	0.2
407.29581	1.6
408.29840	0.4
411.32983	0.3
421.31174	3.8
422.31683	0.5
423.32721	13.7
424.33072	2.3
425.30817	0.2
439.32001	1.5
441.33755	100.0
442.34106	15.8
453.30139	0.3
455.31592	0.3
467.31531	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.7
57.03453	3.4
58.00596	3.8
59.01388	100.0
61.98843	5.1
69.03452	2.6
71.01391	67.0
71.57479	2.4
72.99316	4.6
73.02957	5.0
76.74944	1.3
79.24959	1.3
81.03471	2.3
83.01409	5.4
85.02952	14.8
87.00868	2.6
89.02452	65.1
93.03458	1.7
95.01404	5.1
95.05073	2.2
97.02975	5.4
99.00854	1.9
101.02456	41.6
101.03108	2.5
102.02756	1.4
107.01392	2.2
109.02961	16.8
111.00949	1.4
113.02459	28.4
119.03514	28.0
119.05015	2.4
122.03819	2.7
123.00930	2.0
123.04512	6.3
124.05317	1.7
125.02461	43.5
131.03564	2.8
133.06610	11.7
135.04536	1.6
137.02498	5.0
137.06177	1.8
139.07666	14.9
140.07909	1.4
143.03543	3.6
145.02989	5.4
147.04552	2.0
149.02473	3.1
149.04599	1.9
149.06125	2.9
151.04044	3.8
159.03075	1.5
161.04597	8.9
161.06017	3.1
163.04007	3.5
165.01976	1.4
169.00008	3.0
169.01447	56.4
169.08763	1.7
170.01764	1.5
177.05673	1.8
179.03558	3.0
179.05704	4.3
180.20546	1.4
187.04085	1.8
187.11235	1.6
193.01402	2.6
197.38559	1.2
203.07245	3.5
204.11571	2.5
205.12360	4.5
217.12386	5.7
235.13539	3.1
245.08275	3.9
271.06122	2.7
289.07193	26.1
295.10590	3.3
330.13226	26.8
331.13980	14.0
350.69562	1.4
381.24161	2.5
397.18723	6.4
441.08337	4.0
441.17834	74.6
442.18066	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	439.2555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52565	0.9
57.03452	1.3
57.16138	1.0
58.98957	0.9
59.01388	100.0
61.98839	1.5
69.39611	2.0
69.40015	6.3
71.01395	17.1
73.02950	6.4
73.13705	1.0
78.14158	0.9
83.01391	3.2
85.02946	8.6
87.00879	2.6
87.61581	0.9
89.02464	4.7
95.01379	2.0
96.96019	2.5
99.00879	3.4
99.01482	0.8
101.02464	15.2
111.00904	1.2
113.02471	6.3
113.25394	0.9
113.62480	1.1
116.63596	0.9
119.05030	3.9
125.02462	6.9
129.01913	1.1
135.04521	1.1
143.03499	1.3
145.02971	2.5
153.01950	0.9
158.37715	0.9
159.03001	1.7
161.02513	1.3
161.04581	11.3
163.04024	5.6
169.01401	5.8
175.04008	0.9
191.03560	1.2
195.02948	1.4
203.03535	1.2
217.01521	1.2
217.18013	1.5
245.00880	1.2
247.02538	3.1
255.05035	2.2
273.00589	1.1
300.99915	1.1
302.90253	1.0
307.17688	1.6
313.05627	1.2
327.32669	0.9
379.23376	49.2
380.23700	3.6
439.03094	4.0
439.08340	2.3
439.15717	2.4
439.22147	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	441.0449
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.4
60.78907	0.6
61.37891	0.6
70.88165	1.0
70.88478	0.7
71.01405	1.5
78.95918	7.4
85.02966	5.5
87.00910	1.3
93.03469	2.3
94.98775	0.6
96.96016	27.5
96.96973	17.7
111.04565	0.7
125.02406	0.9
127.04011	1.8
155.30215	0.7
169.01501	1.4
191.05626	100.0
192.06047	4.5
235.02475	1.1
319.41415	0.8
343.06747	29.7
344.07050	1.8
412.80463	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	5.0
57.03456	4.5
58.00602	1.8
59.01387	36.5
60.01718	0.6
67.01905	0.5
69.03455	2.5
71.01391	69.9
71.05037	1.6
71.57114	0.6
72.01731	0.8
72.99313	3.5
73.02956	31.4
74.99112	2.1
75.00878	3.9
78.95918	0.5
79.29634	0.5
81.03473	1.3
83.01397	11.9
83.26423	0.5
85.02966	34.1
85.92455	0.5
86.00116	1.3
86.03291	0.6
87.00879	5.4
89.02456	18.1
93.03465	1.4
93.50414	0.5
94.07015	0.5
95.01402	6.6
96.96027	1.7
97.00066	0.5
97.02957	4.0
99.00892	15.6
101.02458	60.2
102.02786	1.5
107.01399	3.3
107.64098	0.5
109.02987	1.0
111.00912	5.3
111.04537	0.9
113.02464	24.7
115.04031	1.7
117.03503	0.8
119.03503	2.1
119.05035	1.3
120.99665	3.4
121.03030	1.4
123.00908	2.9
123.04535	2.2
124.01669	1.5
125.02460	21.5
126.02817	0.8
129.02002	1.8
131.03508	4.8
135.04550	0.8
136.99132	1.9
137.02466	2.0
138.16269	0.6
139.00397	1.2
139.03032	1.0
139.04030	11.0
143.03473	2.5
145.02954	4.1
145.12366	1.7
149.04547	3.5
153.05609	1.1
155.03566	1.2
157.29205	0.6
159.03017	5.9
161.02438	1.3
161.04576	27.2
162.04828	0.6
163.04056	1.8
165.01930	0.5
166.99867	1.1
167.76054	0.5
168.00609	0.7
169.01448	19.9
170.01729	0.8
173.02457	0.9
175.03976	0.9
177.01906	0.6
183.03043	0.5
185.02396	0.7
189.01994	0.5
191.03503	1.7
191.05611	1.6
201.01958	1.2
203.03506	1.2
205.03502	0.9
216.06569	0.5
218.02127	0.6
219.03023	1.7
229.01442	1.3
231.02995	1.3
233.06693	3.3
245.00981	0.9
247.02451	1.2
248.03284	0.7
249.04060	1.3
257.01022	1.3
263.01932	1.0
265.03503	1.5
268.00128	0.6
273.00546	0.7
275.01953	3.7
278.10339	1.1
283.99692	2.4
285.00394	1.5
293.08878	1.4
297.00443	0.9
299.99112	5.0
300.99899	11.0
302.00293	1.5
307.17654	79.3
308.18008	6.5
309.00467	1.7
312.99933	8.8
313.05457	1.0
323.99146	4.1
325.03583	1.3
328.02078	0.7
351.16504	0.9
353.03180	1.4
355.03918	0.7
363.03763	0.9
378.06131	1.6
419.16757	0.5
422.08832	1.9
439.09161	4.4
439.21866	100.0
439.54218	1.6
440.05316	1.0
440.09921	19.6
440.15683	0.9
440.22125	10.2
463.05228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	59.5
61.98835	36.0
71.01392	25.4
73.03018	15.6
79.68417	14.6
120.48560	15.3
125.02479	73.8
169.01428	100.0
299.99020	19.4
300.99762	19.8
313.05710	34.2
367.00974	26.3
409.31528	18.5
439.09048	88.5
439.32922	25.5
440.09424	28.4
440.30222	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	439.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.0
57.03449	3.8
58.00600	2.0
59.01386	44.2
68.41256	0.8
68.99796	1.0
69.03447	2.9
71.01390	77.5
72.01718	1.5
72.99300	3.3
73.02551	1.9
73.02953	33.5
74.99094	2.8
75.00880	3.7
83.01394	15.2
83.05045	1.2
85.02961	35.4
86.00110	1.4
86.03313	1.6
87.00896	4.4
89.02460	20.3
90.39926	0.9
93.03436	0.8
95.01407	6.7
96.96013	1.6
97.02953	4.8
98.19877	2.7
99.00890	14.2
101.02456	66.0
102.02792	1.7
107.01405	3.2
109.53139	0.9
111.00896	5.4
113.02456	26.7
115.03989	2.0
117.03444	2.2
119.03534	3.4
120.99633	2.9
121.00463	1.0
121.02940	2.0
123.00945	3.1
124.01673	3.0
125.02460	25.6
126.02773	1.3
129.01958	1.4
131.03520	4.8
135.72607	1.0
136.99162	2.1
137.02452	3.2
138.03238	1.2
139.00432	1.3
139.04024	18.1
140.04335	1.0
143.03510	3.9
145.02957	7.9
145.12363	1.3
149.04550	4.4
151.45544	0.8
153.05629	1.6
159.03018	7.4
161.02484	1.8
161.04567	30.0
163.03964	2.1
166.99924	1.2
168.00591	1.0
169.01443	22.5
170.01741	1.2
173.02353	1.1
175.03935	1.4
180.26805	1.0
191.03528	2.0
191.05400	1.5
217.01443	1.4
219.03093	1.2
229.01485	1.4
229.15912	1.4
231.02965	1.5
233.06647	3.4
247.02493	1.4
273.00623	1.4
275.01883	4.3
278.10410	1.5
283.99683	3.1
285.00354	1.6
299.99103	3.3
300.99948	11.5
302.00311	1.0
307.17639	86.8
308.18021	7.4
309.00235	1.8
313.00012	8.9
313.05499	2.0
323.99142	3.6
325.03470	1.2
353.03217	1.8
363.03799	1.2
378.06110	1.2
422.09048	1.6
439.08881	7.7
439.21851	100.0
440.04605	1.5
440.09894	20.5
440.15854	1.3
440.22064	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	439.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.4
64.37023	0.5
65.00322	0.5
67.01898	0.5
69.03461	1.7
70.07129	2.0
71.01392	5.3
79.01897	1.0
81.03477	1.0
83.01417	0.9
85.02945	1.2
95.01378	1.0
97.02985	2.0
101.02460	1.6
107.01401	11.2
111.00889	1.2
113.02491	1.0
121.02180	0.4
123.00910	8.1
124.01694	1.6
125.02461	71.6
126.02834	2.2
127.00409	0.9
130.22945	0.4
136.98798	0.9
137.02434	0.7
139.00397	3.3
140.01193	2.1
141.01926	0.7
151.00377	5.0
153.01901	0.4
168.00633	2.9
169.01447	90.3
169.42114	0.4
170.01768	3.5
193.01535	0.5
211.02498	1.3
223.02480	0.7
241.03607	3.7
261.33762	0.5
279.89883	0.4
313.05673	22.2
314.05975	1.5
421.00668	0.4
439.08813	100.0
440.09192	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	439.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07210	0.5
53.70239	0.4
55.01894	0.7
57.03441	0.9
59.01385	16.8
59.34286	0.5
61.98831	1.5
71.01389	8.8
71.05026	1.4
71.56744	0.6
73.02961	2.9
75.00869	0.5
83.01402	1.5
83.05039	1.1
85.02950	4.7
87.00906	0.7
89.02461	2.2
93.03503	0.6
95.01386	1.3
96.96008	0.9
97.02990	0.7
99.00901	1.2
101.02458	5.3
101.06090	1.6
105.03489	0.9
107.01411	1.0
108.51428	0.5
109.02955	0.5
111.00914	0.6
113.02462	2.7
117.03480	0.7
119.03555	0.6
119.05038	0.8
123.00912	0.8
123.04530	0.5
125.02460	5.4
126.02862	0.5
132.02185	18.6
133.02988	6.1
134.03766	11.2
135.04558	1.7
137.02464	3.0
139.04013	1.1
145.02974	0.7
147.04553	1.0
149.06111	1.7
150.03244	0.5
160.01678	83.9
161.02129	4.3
161.04572	2.1
163.04065	0.9
168.76050	0.5
169.01459	4.4
173.02509	0.6
175.04021	100.0
176.04370	5.1
177.01958	1.8
177.05505	0.7
178.02728	1.0
179.03540	1.4
191.03503	0.9
193.05067	12.9
194.05333	0.7
194.90036	0.4
219.02898	0.8
221.04538	0.6
247.02480	0.9
259.02554	1.2
273.00473	0.5
301.00049	2.5
303.01495	1.0
379.23364	6.3
380.23856	0.7
424.13693	1.2
438.55490	0.8
439.03671	3.5
439.16107	75.5
440.10281	1.0
440.16446	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	438.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.0
61.98837	100.0
69.71279	1.9
82.14644	0.4
84.21959	0.3
131.24568	0.4
135.04594	0.5
143.35298	0.4
147.10077	0.4
178.04749	0.4
179.03502	0.6
180.03961	0.4
214.15398	0.4
215.15508	0.4
235.60735	0.4
276.92538	0.4
314.42221	0.4
438.17068	0.5
439.16183	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15104	0.7
58.41136	0.8
59.01381	1.8
69.37383	5.9
71.01395	4.3
76.95441	0.7
77.19582	0.8
78.95911	1.2
79.95729	3.8
80.96526	2.0
85.02982	1.2
86.43025	0.8
87.00902	1.7
94.42234	0.7
95.01385	4.6
96.96022	22.4
96.96970	1.9
97.02954	1.2
98.19946	1.8
101.02470	2.3
107.01406	3.9
111.00890	1.2
113.02462	1.9
120.86805	0.9
121.02945	2.0
123.00896	25.1
125.02460	30.3
127.95047	0.9
138.03246	9.8
138.97076	0.9
139.00415	1.1
151.00436	3.0
153.05565	4.7
161.02440	1.5
166.96675	2.2
166.99875	26.6
168.00604	1.1
169.01440	39.5
180.98434	0.9
181.01443	0.9
182.02231	74.7
183.02638	3.2
190.02795	0.9
191.03505	0.8
195.06648	0.9
196.34283	0.8
197.04567	100.0
198.04915	6.3
205.01529	0.9
218.02362	0.9
219.37170	0.8
236.19936	0.8
241.00258	47.2
242.00575	1.7
246.01740	1.4
247.02560	2.8
275.01950	1.0
300.99951	3.1
305.03079	3.0
313.05692	10.9
395.06250	1.9
439.08978	36.7
440.09189	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	437.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	7.8
57.03462	4.4
58.00592	1.7
59.01387	42.1
67.01907	0.7
69.03464	1.3
71.01389	59.6
71.04691	1.0
71.05038	0.7
72.01718	0.6
72.99321	2.8
73.02953	38.0
75.00877	2.0
81.03455	0.6
83.01394	13.6
84.01735	0.5
84.02234	0.5
85.02957	35.3
86.00097	3.3
86.03300	0.6
87.00875	5.2
89.02453	12.9
95.01402	5.5
97.02952	3.8
99.00890	14.2
101.02453	68.0
102.02777	1.2
111.00896	2.3
113.02465	23.4
114.02747	0.7
115.04017	2.3
119.03518	0.9
125.02477	4.1
129.01941	1.8
131.03503	4.3
134.59665	0.4
141.12860	0.7
143.03503	3.0
146.16452	0.4
149.04546	2.3
149.72229	0.4
159.02966	4.1
161.04570	22.0
162.04947	0.6
172.26465	0.5
191.05591	1.0
205.03694	0.6
233.06673	3.7
244.71616	0.4
256.61096	0.4
293.08688	1.3
305.19711	100.0
306.20102	7.1
312.51767	0.5
332.73404	0.5
349.18597	0.9
424.60696	0.6
437.23932	94.7
438.24274	11.4
443.19183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63229	0.9
52.18946	0.9
55.01878	7.3
57.03438	4.9
58.00591	1.3
59.01388	45.6
61.98843	2.2
67.10857	1.0
69.03457	2.5
71.01390	76.6
71.57983	1.0
72.01729	1.6
72.99308	4.4
73.02954	36.3
75.00867	2.2
80.05382	0.8
81.03499	1.4
83.01392	13.8
85.02959	34.9
86.00107	2.6
87.00899	4.2
89.02458	15.5
90.59396	1.0
95.01389	5.2
97.02950	4.6
99.00885	15.0
101.02456	66.1
110.64117	1.0
111.00887	2.4
113.02459	30.0
115.04060	1.8
125.02463	3.8
129.01926	1.4
131.03499	3.8
132.22951	0.9
143.03525	3.3
149.04562	3.7
156.05011	0.9
159.03009	5.9
161.04570	28.3
191.05655	1.6
204.25694	0.9
205.03635	2.0
215.05759	1.0
233.06635	3.8
239.16617	0.9
275.01929	1.7
305.19727	89.5
306.20038	6.3
377.25403	1.7
397.00723	0.9
410.93301	0.9
418.69226	1.3
437.05075	3.1
437.23929	100.0
438.24390	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	437.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20882	28.0
59.01378	84.6
62.76738	30.8
66.15095	28.2
70.41146	31.5
71.01356	30.8
78.08185	31.3
97.54185	29.1
105.70490	27.2
207.62061	29.2
216.68536	29.6
235.70456	29.4
321.73306	27.6
335.62915	31.5
437.04956	100.0
437.30759	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	437.203
Annotation	Ebracteatoside D
Peak:m/z	Relative Intensity
55.01885	6.9
57.03450	5.5
58.00584	2.5
59.01387	49.3
69.03457	2.2
71.01389	78.8
71.29426	1.4
72.01704	1.8
72.99309	3.4
73.02555	1.8
73.02956	36.5
75.00865	1.8
75.46725	1.0
81.03442	1.5
83.01393	16.0
84.98754	1.1
85.02959	39.3
86.00116	1.1
87.00903	6.1
89.01933	1.5
89.02451	21.7
91.70779	0.8
95.01397	5.0
96.96004	1.6
97.02963	5.5
99.00896	19.0
99.04503	1.3
101.02453	71.8
102.02829	1.1
107.01399	1.4
107.05024	3.5
109.02902	1.1
111.00845	3.3
113.02455	32.3
115.04012	2.9
119.03499	2.3
123.00848	1.1
125.02461	8.9
129.01970	1.5
131.03505	3.6
137.02386	1.0
141.01936	2.4
143.03485	3.7
143.10780	3.2
149.04543	2.7
151.00360	1.3
159.03021	6.6
161.04572	32.7
162.04919	1.5
165.00511	1.0
165.05569	1.1
169.01437	3.3
191.05614	1.8
231.06635	3.1
233.06728	4.4
274.01266	2.4
275.01941	1.9
275.05521	2.4
293.08734	2.6
300.99799	1.2
304.00223	1.2
305.16083	97.4
306.16431	7.0
377.11087	1.1
437.07828	4.7
437.20297	100.0
438.20630	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	437.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52671	0.7
53.52920	0.8
58.44419	0.8
58.83565	0.8
59.01385	10.4
61.98840	2.5
62.20242	0.7
67.01905	2.1
69.03464	1.1
69.50775	4.4
71.01390	7.2
73.02959	2.0
74.99113	1.1
75.68346	0.8
77.21296	0.7
79.01901	1.2
83.01396	1.3
83.45689	0.8
85.02972	2.5
87.00897	2.0
89.02480	2.4
93.03469	7.6
95.01422	2.7
96.96039	1.7
99.00882	1.3
101.02473	2.8
103.04074	1.0
107.01390	11.5
108.02232	1.6
109.02997	2.7
111.00910	3.0
113.02467	2.7
119.05045	20.5
120.99670	2.0
121.02972	29.7
123.00900	15.9
123.04545	25.7
124.01716	3.2
124.04842	1.0
125.02462	53.0
126.02795	1.8
127.00401	0.9
135.04547	1.1
136.98912	1.2
137.02455	2.3
139.00401	4.6
140.01218	2.7
141.01991	1.4
145.03024	1.4
150.03191	1.2
150.32036	1.0
151.00360	9.5
152.01132	1.3
153.02026	3.4
161.02513	1.9
161.04572	1.4
163.04059	1.6
166.02783	1.2
168.00642	4.0
169.01447	71.1
169.12283	0.9
170.01868	2.3
175.04036	1.0
177.01968	1.3
179.03424	0.9
181.05104	2.4
189.01974	1.6
190.02740	1.7
191.03578	1.4
203.03587	1.3
209.04651	1.4
211.02586	1.0
215.12927	1.7
218.02151	1.5
219.02994	1.4
229.01486	2.4
231.06602	4.1
237.07706	1.0
247.02492	0.9
249.04071	0.8
251.47850	0.9
253.03523	1.0
257.00909	4.0
263.02127	1.2
274.01205	7.3
275.02011	19.4
275.05209	1.6
275.15140	0.9
276.02542	1.7
296.05847	1.0
297.06393	2.0
300.99969	3.9
313.05682	25.5
314.06168	1.6
400.32727	0.8
437.11124	100.0
438.03152	1.8
438.11636	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	437.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	9.7
65.30562	0.9
69.03442	2.1
71.01392	9.8
71.56581	1.0
72.99316	1.1
73.02937	1.9
74.99093	1.1
75.00870	1.0
75.11630	1.0
79.01899	2.3
81.03448	1.2
83.01418	1.6
85.02970	4.8
87.00874	2.8
89.02438	3.5
95.01389	2.8
96.96011	1.4
97.02957	1.6
99.00912	1.2
101.02430	4.0
107.01398	9.8
108.02186	21.2
109.02969	17.5
111.00864	2.1
113.02439	4.3
119.03533	1.1
120.82832	0.8
120.99651	1.1
123.00887	10.6
123.04491	1.5
124.01695	3.5
125.02457	45.0
126.02727	0.9
127.00388	1.4
127.29930	0.8
128.94966	0.8
130.98514	0.8
135.00862	2.7
136.98996	1.1
137.02472	1.3
139.00346	4.2
140.01152	2.8
141.01880	1.9
149.02437	1.8
150.03195	1.8
151.00386	12.8
152.01169	20.4
153.01959	30.6
161.02455	3.5
161.04550	2.1
163.00320	1.1
163.04021	1.2
165.01994	1.2
165.05605	2.8
168.00652	3.0
169.01437	54.5
170.01758	3.3
177.01906	1.1
179.03465	1.1
195.02858	1.5
195.06639	2.4
211.06168	2.1
218.02229	1.0
223.02495	6.7
231.06589	5.8
241.07137	1.9
257.00903	1.6
266.04361	1.6
267.05008	3.4
274.01163	3.4
275.02216	5.6
275.05539	5.6
283.04630	11.9
284.04895	1.2
305.16006	2.3
341.10901	2.2
355.00650	1.3
393.08234	10.6
419.06149	13.3
420.06577	1.6
437.07162	100.0
437.20090	3.9
438.07648	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	437.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
61.98810	0.4
69.27911	2.5
71.01401	0.5
72.99310	0.3
85.02959	0.4
87.00883	0.4
89.03918	0.3
97.05768	0.3
98.19880	0.7
101.02428	0.4
107.01353	0.6
108.02181	0.7
111.00878	0.4
119.05040	0.3
120.99645	0.6
121.02953	0.8
123.00883	0.9
125.02450	2.4
133.02921	0.3
139.00389	0.4
145.02922	0.5
147.04515	0.8
151.00342	0.4
152.01157	0.6
153.01910	0.8
157.02931	0.5
159.04427	0.6
161.02434	0.5
163.04108	0.5
165.02095	0.4
165.05466	0.3
168.00609	0.3
169.01431	3.5
173.02437	0.5
174.03192	0.3
175.03990	1.1
176.01176	0.4
177.01968	0.3
177.05489	0.4
178.02789	0.4
179.03583	0.5
185.02521	0.8
189.01950	1.4
190.02740	3.2
191.03513	1.4
195.06592	0.6
201.01930	2.3
202.02609	0.7
203.03546	3.6
204.03856	0.4
205.01353	0.5
213.01950	0.5
217.01442	1.0
218.02248	2.9
219.03021	1.4
222.01730	0.3
228.00558	0.4
229.01442	9.4
230.01901	0.9
231.03084	1.7
233.00908	0.3
245.00920	0.6
246.01555	0.7
247.02473	1.2
256.00146	0.4
257.00925	11.6
258.01575	3.7
259.02063	0.4
273.00381	1.0
274.01227	13.7
275.01990	100.0
276.02335	6.9
300.99936	0.3
303.08960	0.4
314.06277	0.4
374.11868	1.1
437.07263	21.4
438.07956	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	436.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
58.85781	1.5
59.01391	15.4
61.56806	1.4
61.98836	14.5
65.59293	1.3
66.25775	1.4
66.36185	1.6
70.69685	1.6
71.01388	7.4
73.02971	4.3
83.01398	2.4
85.02954	3.2
89.02461	5.7
95.01382	4.2
98.19851	3.5
101.02469	8.2
106.08937	1.5
107.01411	2.0
108.02158	2.7
109.02977	2.0
111.00915	4.3
111.93465	1.6
113.02476	3.6
122.02486	3.0
123.00902	15.3
123.04485	1.7
124.01717	2.0
125.02463	19.3
136.04071	2.8
137.02484	2.3
138.03189	2.1
139.00365	5.5
139.03976	1.7
140.01208	2.9
141.01933	2.9
145.02945	2.2
149.02460	1.7
151.00397	10.5
153.01961	7.3
168.00616	6.3
169.01442	26.0
192.57510	1.9
218.02240	2.1
229.01421	2.3
239.09303	1.8
247.02586	3.8
268.42468	1.6
273.00214	2.4
274.01111	8.5
275.02045	8.8
313.05670	2.5
373.11411	100.0
374.11603	9.5
377.18207	4.4
401.10931	2.3
436.07980	2.0
437.06247	18.4
437.11655	7.6
437.20282	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	437.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63295	0.7
54.67897	0.8
59.01371	2.2
67.46218	0.8
69.03496	0.8
69.54417	5.3
71.01379	1.3
76.31161	0.8
88.24260	0.8
91.29700	0.7
95.01390	1.2
96.96011	2.1
97.02959	0.9
101.02438	1.5
107.01373	1.2
108.02188	4.0
109.02975	5.5
113.25572	0.7
123.00879	3.3
124.01617	0.8
125.02473	6.7
135.00832	1.1
139.00383	1.2
146.03880	0.9
150.03290	1.0
151.00375	2.2
152.01228	4.0
153.01952	9.6
161.02406	1.3
167.03517	1.0
168.00716	1.1
169.01440	7.5
173.02458	1.1
174.03178	1.8
179.03464	1.5
189.01947	5.1
190.02742	18.5
191.03197	1.3
200.01193	1.8
201.02010	1.0
202.02734	4.8
203.03375	0.9
205.01340	1.5
217.01505	1.1
218.02237	18.2
222.01678	1.9
227.56245	0.8
228.00661	6.0
229.01373	3.1
230.02068	0.9
231.02919	0.7
245.00951	3.0
246.01700	4.5
256.00128	3.1
257.00912	8.1
273.00409	2.2
274.01202	95.8
275.01816	16.1
276.02231	0.9
283.04626	1.4
285.06204	0.9
287.01831	1.0
301.05536	0.8
325.48596	0.8
393.08197	0.8
401.10773	7.8
401.14661	0.8
419.06064	1.5
437.07239	100.0
438.07639	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
57.86675	0.3
59.01385	49.7
61.98845	0.8
63.54351	0.3
70.65532	0.6
70.65868	0.4
71.01387	2.6
73.02959	0.8
85.02961	1.6
89.02458	1.3
93.76782	0.4
95.01426	0.5
99.95381	0.4
101.02447	2.1
113.02451	2.9
113.82695	0.3
119.03526	1.3
129.74455	0.3
149.04541	0.3
161.04562	1.0
162.17413	0.4
183.13927	9.0
191.14314	0.4
195.13911	8.0
196.14308	0.7
209.15608	0.4
213.14977	100.0
214.15312	6.1
223.17068	0.4
227.16559	1.1
237.14989	0.6
249.15013	0.4
255.16110	0.4
258.07620	0.5
267.15976	0.8
272.09189	0.8
273.09827	1.7
274.10922	3.5
359.02576	0.4
435.14789	1.0
435.22903	0.5
436.16101	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	436.035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38294	0.4
56.76350	0.5
59.01384	6.9
61.98844	5.8
71.01392	1.5
73.02934	0.8
73.10355	0.4
74.99142	0.5
76.67341	0.5
78.45683	0.4
79.95294	0.7
79.95747	6.9
85.02955	0.8
89.02431	0.8
96.79918	0.5
101.02481	1.1
119.05058	0.6
125.01624	0.7
125.02464	6.6
128.05029	0.5
130.06602	0.4
142.06642	100.0
143.07001	5.5
145.02974	1.2
153.00693	0.5
158.06116	4.9
159.04433	0.6
159.06462	0.7
161.04576	0.8
163.04057	0.9
169.01454	8.7
170.01778	0.8
186.05598	1.2
202.02757	1.1
204.06694	4.5
208.98289	0.6
220.14322	0.4
222.02319	54.5
223.02582	3.1
238.01810	5.2
266.01257	8.3
274.01236	0.6
275.01938	0.7
291.64157	0.5
341.11322	0.6
356.07779	1.5
373.13806	0.8
435.29474	0.7
436.03470	18.1
437.03906	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	435.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
55.79217	0.3
56.99811	0.3
57.03449	0.7
58.00601	3.0
58.92738	0.3
59.01385	80.1
60.01725	1.0
69.03478	0.9
69.24786	2.1
69.25195	0.7
70.75686	0.3
71.01389	59.1
72.01720	0.8
72.99309	3.3
73.02954	18.9
74.03306	0.4
75.00877	0.7
77.90639	0.3
79.01909	0.3
81.03462	0.3
82.57938	0.3
83.01409	2.4
85.02963	8.3
87.00883	1.7
89.02453	100.0
90.02801	0.8
95.01387	1.9
97.02952	1.4
99.00890	28.5
100.01247	0.5
101.02452	37.2
102.02816	0.7
113.02462	15.4
114.02815	0.4
115.04036	0.7
119.03513	10.7
125.02465	4.7
131.03520	17.2
132.74449	0.3
141.81119	0.4
143.03543	2.9
149.04570	55.3
150.04961	1.2
161.04575	4.2
173.48747	0.3
177.01901	0.3
179.05620	3.9
191.05629	14.2
192.05952	0.7
221.06754	1.7
233.06721	1.0
251.07703	3.4
293.08734	0.6
303.18054	0.6
311.09937	0.4
330.24442	0.3
435.22400	16.2
435.28976	0.6
436.22708	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.166
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19969	1.2
51.78944	0.9
57.03457	2.3
59.01384	27.1
61.98830	2.6
64.22507	1.0
65.00328	1.8
67.01883	1.4
71.01398	9.5
72.00349	1.0
73.02969	4.2
83.01386	2.1
85.02956	5.0
87.00889	1.6
87.04464	1.0
89.02468	4.4
90.03802	1.1
94.13740	1.4
95.01434	2.8
99.00896	1.2
101.02454	6.6
107.01395	4.9
109.02990	1.9
111.00901	2.8
113.02477	4.0
117.03531	1.7
119.03542	1.6
119.05053	3.0
120.05386	1.5
121.02942	1.9
123.00899	12.0
125.02452	12.6
125.09754	1.7
135.00900	1.8
135.04591	1.5
136.01653	2.3
137.02457	17.6
139.00404	4.3
139.03989	2.2
140.01196	2.8
142.06650	2.0
145.02979	5.7
149.02464	1.4
149.27580	1.1
151.00421	10.4
151.04051	2.9
152.00775	1.8
153.02039	1.3
161.02495	4.1
161.04552	1.7
163.04034	1.6
164.01210	3.2
165.01941	100.0
166.02333	3.1
168.00700	2.5
169.01460	14.2
169.05228	1.8
175.07626	1.5
176.04865	2.7
179.03508	43.6
180.04291	61.2
181.04762	3.2
187.09949	1.1
191.07182	1.4
194.05843	11.2
195.03041	3.2
195.06636	85.5
196.07022	4.2
209.08223	13.5
210.05312	13.9
210.07037	1.3
211.02412	1.1
213.11385	1.2
225.07704	57.9
226.08121	3.4
270.04617	2.3
271.05264	2.0
272.04935	1.2
272.06610	1.7
273.06650	5.0
300.99936	1.1
302.03577	1.6
303.04276	3.6
329.10474	1.3
357.03485	1.3
357.09857	7.8
372.12299	3.6
375.20276	2.4
387.14499	25.4
388.15033	3.5
399.08701	1.2
399.13364	1.7
417.28751	1.6
430.03336	1.2
435.13116	46.8
435.29739	17.7
436.13351	5.6
436.30319	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03442	0.5
59.01386	3.7
65.00315	0.6
67.01899	1.1
68.99809	0.5
69.03438	0.6
71.01395	4.5
72.99323	0.5
73.02953	2.3
79.01907	1.1
83.01395	1.5
85.01775	0.3
85.02960	3.0
87.00867	0.5
89.02455	0.6
91.80934	0.3
95.01385	2.1
97.02972	0.7
98.19839	0.8
99.00887	0.7
101.02447	3.7
107.01401	5.4
110.00124	0.5
111.00879	3.2
111.90288	0.4
113.02457	2.4
119.05083	0.9
120.05372	0.6
123.00907	18.6
124.01742	2.0
125.02465	16.9
125.03162	0.3
127.00384	1.0
130.21930	0.4
136.98805	1.8
137.02425	0.5
139.00391	7.4
140.01198	4.5
141.01976	2.6
145.02971	1.0
150.99184	0.8
151.00386	12.9
152.00726	0.9
153.00807	0.6
153.01949	0.9
163.04117	0.6
165.01950	1.5
168.00684	4.2
169.01443	20.2
170.01779	0.7
179.03506	0.6
180.04338	0.7
195.06633	1.1
211.02516	1.1
225.07600	0.4
270.04483	0.7
271.06351	0.8
272.06448	1.2
273.06726	2.4
313.05685	1.2
329.67548	0.4
435.13000	100.0
436.13324	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	435.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.1
59.01384	2.4
59.67129	0.3
61.98845	0.3
65.00337	0.9
71.01403	0.6
71.20237	0.7
81.03465	12.1
83.01389	4.5
93.03468	7.5
95.01395	0.7
95.05047	1.0
99.04507	0.4
107.01418	1.7
117.03475	0.5
119.05040	11.3
120.05411	0.7
123.00919	0.8
123.04539	35.1
124.04848	1.2
125.02460	17.6
126.02805	0.4
127.02879	0.3
135.04559	1.6
137.02449	0.5
145.02965	1.3
147.04549	0.4
149.01363	0.5
149.02423	2.8
151.00385	3.7
153.01958	0.5
163.04050	0.8
165.05566	0.6
166.02740	0.6
167.03511	82.7
168.00647	0.4
168.03836	2.9
169.01454	1.6
169.06578	0.6
171.04605	0.4
179.03511	8.9
180.03894	0.5
181.24347	0.3
187.07631	0.5
189.05606	1.5
191.03535	0.9
211.07661	0.3
229.08675	0.8
255.06653	0.7
273.07709	100.0
274.08038	8.7
297.07648	0.4
315.08951	0.4
435.12732	5.3
436.16214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	1.7
59.01387	3.9
60.84077	0.7
61.76142	0.6
65.00323	1.2
67.01868	0.6
69.03445	0.7
69.40491	5.5
71.01382	2.9
73.02935	0.9
79.01907	0.8
81.03463	15.2
83.01395	5.5
85.02995	0.8
93.03462	5.7
95.01395	1.8
95.05038	1.0
96.06937	0.8
97.02962	1.6
101.02444	1.7
106.04250	1.3
107.01399	5.8
111.00903	1.7
117.03481	0.8
119.05045	17.5
120.05349	1.2
121.03002	1.2
121.06611	21.7
122.06959	0.7
123.00907	9.2
123.04540	29.4
124.01666	1.1
125.02460	35.0
127.00410	1.0
132.79012	0.8
135.04631	1.6
137.02475	1.0
139.00359	2.9
140.01176	2.3
141.01950	1.0
149.02469	2.5
151.00414	8.6
151.04037	1.4
152.01089	0.8
158.11707	0.9
163.03989	1.8
166.02661	0.8
167.03511	77.6
168.00688	1.7
168.03809	3.5
169.01447	31.6
170.01831	1.0
175.00395	1.1
179.03540	4.3
181.05054	3.0
189.05586	3.1
191.03514	9.4
203.03517	1.5
209.04575	5.9
221.04536	2.7
229.08675	0.8
273.07715	100.0
274.08023	8.4
297.07742	18.7
298.08029	1.4
313.05756	8.5
314.05811	0.9
315.08878	5.3
327.08740	2.0
435.12997	62.8
436.13309	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	435.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13783	0.5
58.00574	0.6
59.01103	0.9
59.01385	11.5
61.98837	9.8
65.00343	0.6
67.01888	1.1
71.01383	5.8
72.99319	1.3
73.05336	0.5
79.01910	1.9
83.01413	0.8
85.02987	1.6
89.02455	3.7
95.01380	3.1
97.02962	1.0
101.02452	3.8
107.01410	6.0
107.05042	0.8
111.00910	3.1
113.02462	1.9
117.03435	0.8
119.03522	0.6
119.05022	1.0
121.02981	1.1
123.00901	19.0
124.01670	2.1
125.02464	20.4
126.02849	0.6
127.00398	1.1
128.41354	0.5
135.04526	1.2
136.98836	2.2
139.00385	8.7
140.01175	5.0
141.01918	1.5
142.33252	0.5
145.02979	1.6
146.03345	1.2
151.00380	12.8
153.01976	1.3
163.04056	0.8
168.00673	5.2
168.99998	1.2
169.01445	22.6
170.01791	1.0
174.90207	0.5
179.03564	0.6
181.05203	0.5
183.40187	0.5
211.02495	6.3
253.03464	0.5
271.04608	5.3
313.05692	1.1
435.13037	100.0
436.07794	1.0
436.13391	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	435.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54761	0.4
51.17168	0.5
55.01879	0.6
59.01387	8.0
61.98833	0.7
67.01890	0.8
68.99819	0.6
69.32409	3.2
71.01392	6.2
72.99313	1.4
73.02949	1.7
74.93749	0.4
75.00880	0.5
78.65744	0.5
78.95908	1.1
79.01892	1.3
83.01390	1.7
85.02979	2.7
87.00873	0.8
89.02457	4.3
95.01386	1.9
96.96021	1.4
96.96983	2.8
97.02936	1.2
98.45468	0.5
99.00871	0.6
101.02466	5.5
107.01396	6.1
111.00881	1.9
113.02509	2.2
119.03503	1.6
120.99647	1.1
121.02979	0.7
121.05077	3.5
123.00901	12.9
123.04539	0.5
124.01715	0.6
125.02464	25.5
125.94390	0.4
126.02821	0.6
136.98799	0.9
139.00383	5.4
139.03983	0.7
140.01233	2.5
141.01958	1.5
145.02957	0.8
150.03154	0.7
151.00385	10.2
151.04022	0.9
152.00702	0.6
153.01955	1.0
161.04607	0.9
163.04010	1.2
165.05560	1.5
167.03651	0.5
168.00665	2.9
169.01450	34.9
170.01825	1.1
173.02408	0.6
180.06752	0.5
211.02521	3.9
217.01419	0.6
229.01456	0.6
246.01239	0.4
247.02301	0.7
253.03453	0.9
255.05128	1.0
271.04669	5.3
272.04697	0.6
273.00537	0.7
301.00101	0.5
313.05780	4.1
321.11176	0.4
374.45898	0.5
435.11450	100.0
436.11786	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	26.1
61.98824	0.8
66.24148	0.5
69.03474	1.7
69.26740	5.7
71.01399	6.2
73.02946	1.1
79.01888	0.8
79.69759	0.6
79.95753	0.5
83.01402	1.1
85.02946	2.1
87.00917	0.7
88.26832	0.6
89.02456	4.2
93.03488	1.0
95.01379	1.4
97.02971	2.7
101.02454	3.9
107.01378	0.7
108.02263	0.7
109.02980	1.0
111.00879	1.3
113.02470	2.2
119.03538	1.2
119.05043	1.3
121.02967	11.9
123.00898	2.6
124.01687	5.4
124.48689	0.6
125.02457	77.6
126.02822	2.8
131.03459	0.7
137.02449	1.1
139.00388	1.4
139.04073	0.6
140.01157	0.6
142.06726	0.8
145.02959	0.8
151.00435	1.7
153.01973	0.9
155.10786	1.2
161.02394	0.7
161.04568	1.5
163.04031	1.3
166.99911	1.8
168.00658	8.4
169.01442	100.0
170.01831	3.2
179.03482	0.8
179.05681	0.9
181.05083	0.9
191.03484	0.6
193.01318	0.8
195.10298	3.1
211.02609	1.7
213.11279	1.0
218.22034	0.6
245.01079	0.7
271.02466	1.5
271.99677	0.7
272.02820	1.3
273.00330	1.0
273.03250	2.4
273.11197	0.6
300.02811	2.2
301.03229	2.1
301.99997	1.2
302.03369	5.0
303.00763	0.7
303.04150	1.8
313.05753	4.1
327.08441	0.7
342.11050	1.1
357.13507	2.8
375.20261	0.9
435.09290	47.2
435.22437	2.1
436.09637	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	435.0939
Annotation	CHEBI:75740
Peak:m/z	Relative Intensity
59.01385	26.1
61.98824	0.8
66.24148	0.5
69.03474	1.7
69.26740	5.7
71.01399	6.2
73.02946	1.1
79.01888	0.8
79.69759	0.6
79.95753	0.5
83.01402	1.1
85.02946	2.1
87.00917	0.7
88.26832	0.6
89.02456	4.2
93.03488	1.0
95.01379	1.4
97.02971	2.7
101.02454	3.9
107.01378	0.7
108.02263	0.7
109.02980	1.0
111.00879	1.3
113.02470	2.2
119.03538	1.2
119.05043	1.3
121.02967	11.9
123.00898	2.6
124.01687	5.4
124.48689	0.6
125.02457	77.6
126.02822	2.8
131.03459	0.7
137.02449	1.1
139.00388	1.4
139.04073	0.6
140.01157	0.6
142.06726	0.8
145.02959	0.8
151.00435	1.7
153.01973	0.9
155.10786	1.2
161.02394	0.7
161.04568	1.5
163.04031	1.3
166.99911	1.8
168.00658	8.4
169.01442	100.0
170.01831	3.2
179.03482	0.8
179.05681	0.9
181.05083	0.9
191.03484	0.6
193.01318	0.8
195.10298	3.1
211.02609	1.7
213.11279	1.0
218.22034	0.6
245.01079	0.7
271.02466	1.5
271.99677	0.7
272.02820	1.3
273.00330	1.0
273.03250	2.4
273.11197	0.6
300.02811	2.2
301.03229	2.1
301.99997	1.2
302.03369	5.0
303.00763	0.7
303.04150	1.8
313.05753	4.1
327.08441	0.7
342.11050	1.1
357.13507	2.8
375.20261	0.9
435.09290	47.2
435.22437	2.1
436.09637	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	435.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57779	1.1
55.01881	1.4
59.01390	15.0
61.98844	3.3
67.01894	3.4
68.99830	1.5
69.03461	2.0
69.44695	7.9
71.01392	15.0
72.99323	3.1
73.02957	4.2
75.00879	1.1
76.14977	1.0
79.01914	4.9
83.01398	4.0
85.02969	6.9
89.02481	2.5
95.01408	7.5
97.02962	2.5
99.00893	2.6
101.02451	8.4
107.01404	19.2
111.00912	5.5
113.02465	4.5
119.05062	3.0
120.05411	1.3
121.02980	34.8
122.03259	1.1
123.00909	53.4
124.01645	3.9
125.02465	52.0
126.02792	1.9
127.00401	1.7
135.04543	39.6
136.04927	1.1
136.98819	2.8
137.02432	1.3
139.00392	17.5
140.01204	9.3
141.01950	6.4
145.02954	4.6
151.00392	43.8
152.00723	3.0
153.01941	3.4
163.04044	2.9
165.02069	1.2
167.03514	1.3
168.00677	10.5
169.01445	84.9
170.01796	3.0
206.48245	1.1
211.02502	13.3
214.20007	1.0
223.02461	1.3
253.03488	2.0
271.06091	3.9
272.06485	3.1
273.06726	5.2
313.05704	8.4
314.06195	1.3
317.88852	1.3
375.07150	1.8
409.24506	1.1
435.08627	42.6
435.12958	100.0
436.08664	3.2
436.14075	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	434.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
60.01709	1.6
61.01812	2.2
61.98838	100.0
69.95251	2.6
71.01405	2.6
73.02967	0.7
74.12109	0.6
75.03915	0.6
79.01908	0.7
83.01382	0.8
85.02981	0.8
93.44000	0.6
101.02471	0.9
107.01422	1.6
113.02497	1.0
118.03776	0.6
118.42884	0.7
119.05059	2.6
120.05393	1.6
121.02994	3.4
123.00867	3.2
125.02446	4.1
135.04556	3.2
139.00418	1.2
140.01218	0.7
145.02995	4.0
146.03258	3.4
151.00403	6.2
152.00763	2.0
169.01447	5.5
177.01976	1.1
213.39883	0.6
271.06207	3.7
272.06470	7.7
308.08615	1.3
313.05872	0.8
374.21686	1.4
434.11813	3.8
435.09244	4.9
435.13467	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	435.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.7
61.98825	1.1
69.03442	0.7
71.01390	6.0
71.01989	1.6
72.99286	1.0
73.02954	1.2
83.01427	1.1
85.02951	2.1
89.02440	0.9
93.03487	1.1
95.01405	1.8
96.96059	1.0
97.02943	0.9
101.02466	3.2
107.01394	8.7
107.05083	0.7
109.50516	0.7
111.00920	1.8
113.02469	0.8
121.02970	100.0
122.03273	4.1
123.00893	9.4
124.01711	2.3
125.02461	54.9
126.02782	1.7
139.00415	3.0
140.01173	1.6
141.02008	1.1
151.00383	6.3
168.00635	1.5
169.01443	70.8
170.01787	2.6
211.02498	1.4
216.00662	0.8
217.01474	0.8
241.03534	1.6
244.00148	0.8
245.00937	2.0
247.02556	1.0
253.03625	0.8
271.04742	1.3
271.99658	5.6
273.00427	7.4
273.03546	1.4
295.97888	0.7
313.05679	69.2
314.06030	4.2
435.09515	65.9
436.09900	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	434.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	14.3
65.12401	2.6
66.85873	2.6
71.01393	9.6
71.56769	4.2
86.19677	2.6
96.96027	6.6
100.61656	2.3
101.02437	6.5
111.00895	14.7
116.24162	2.7
120.99631	3.5
124.01675	4.9
125.02454	11.5
127.00356	5.2
136.98842	6.8
139.00386	16.5
140.01173	17.7
167.43121	2.7
168.00653	88.8
169.01466	23.5
176.26987	2.6
177.04031	3.7
183.07968	3.8
211.07622	13.8
215.80504	2.8
229.08734	27.5
273.00241	3.4
297.06223	6.4
299.99106	29.8
300.99500	100.0
302.00186	23.7
314.06381	10.1
329.05234	9.8
329.61322	2.9
434.04474	65.0
434.10217	5.0
435.04517	6.8
435.09418	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	433.2599
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
52.75091	0.3
59.01396	1.9
71.00261	0.3
71.57407	0.4
82.32530	0.3
89.81703	0.3
111.62620	0.3
117.03483	15.7
118.03798	0.4
119.05041	24.6
120.05359	1.1
121.02991	1.7
123.04532	0.5
133.02956	0.4
133.50882	0.3
145.02972	100.0
146.03297	4.1
163.04036	18.4
164.04388	0.8
172.93185	0.3
212.09529	0.3
269.21277	2.0
287.22330	7.9
288.22537	0.6
299.99170	3.0
300.99963	2.1
415.24826	0.9
425.87991	0.3
433.04056	1.8
433.25980	36.0
434.26379	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	433.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72616	0.4
59.01384	3.2
78.95944	0.4
96.55625	0.5
113.07409	0.5
117.02653	0.9
117.03475	15.3
119.05042	25.2
120.05421	0.8
121.02949	2.1
123.04549	0.8
145.02966	100.0
146.03297	4.7
152.99567	0.5
163.04027	18.8
164.04378	1.0
216.00618	0.4
269.21201	1.6
287.22318	6.4
288.22610	0.7
299.99146	7.6
300.99875	4.7
415.24564	0.6
433.04120	3.7
433.25967	33.0
434.26425	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	434.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39267	0.9
59.01389	13.6
61.98834	4.8
63.86177	1.0
65.00336	3.1
67.01888	2.4
67.51139	1.0
69.74362	6.0
71.01389	7.4
72.99319	2.0
73.02971	2.1
83.01393	3.6
84.36082	1.0
85.02974	3.1
87.00875	1.8
87.04528	1.4
89.02459	2.0
93.03452	2.6
94.03825	1.1
95.01382	2.0
97.02946	1.5
101.02460	3.5
107.01404	3.9
108.02232	1.9
109.02958	6.7
110.00123	3.1
111.00900	14.8
113.02446	1.9
114.89577	1.0
119.03501	1.2
119.05040	4.0
120.05423	2.1
121.02998	1.4
123.00912	4.8
124.01689	6.8
125.02457	11.7
127.00399	5.9
127.29786	1.0
136.98816	11.6
137.02440	2.9
139.00394	19.3
140.01186	29.2
149.43080	1.1
149.95213	1.0
151.00394	10.6
151.04092	1.1
152.00937	4.1
153.01938	7.0
154.99931	2.5
161.04509	1.4
165.01944	3.9
166.02649	2.3
166.99843	1.4
168.00659	100.0
169.01445	39.4
173.02269	1.3
177.01875	1.4
177.04112	2.9
179.03429	1.1
181.01457	1.2
181.05081	3.1
194.05905	1.2
195.06688	3.0
211.02473	1.7
223.02367	1.3
225.07684	1.2
241.03450	2.0
255.15952	1.4
271.06265	5.6
272.06445	11.4
289.54153	1.1
297.06375	3.0
299.98981	6.3
300.99600	13.6
302.00262	6.8
303.00327	1.7
313.05838	3.2
314.06503	11.0
327.08847	1.6
329.05170	10.2
342.11224	2.7
344.07339	1.6
357.13437	8.0
373.07529	1.3
374.13434	1.7
375.14536	1.9
388.10129	4.6
434.04388	7.5
434.09778	2.9
434.15445	1.9
435.09323	4.1
435.22845	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	433.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	2.3
57.03443	1.3
58.00594	1.1
59.01388	100.0
60.01719	2.0
71.01391	48.6
71.56184	1.1
72.99317	2.7
73.02954	13.0
75.00887	1.1
78.95903	1.4
83.01384	6.2
85.02960	17.8
87.00869	2.6
89.02464	11.8
95.01392	4.4
96.96014	2.3
96.96978	1.9
97.02975	2.5
99.00885	6.7
101.02457	31.0
107.01393	1.8
109.02989	1.4
111.00915	2.1
113.02471	21.7
116.92856	1.3
119.03499	3.9
120.99654	1.1
121.06602	1.3
123.00872	4.6
125.02488	6.8
136.99048	1.6
137.09697	1.1
138.05650	1.2
139.00386	1.8
141.01997	1.3
143.03490	3.5
151.00340	3.6
153.01987	1.3
159.03055	4.3
161.02533	1.6
161.04585	38.8
165.01956	1.0
166.99809	1.2
168.00687	1.3
169.01468	7.4
175.03947	1.2
179.05649	1.6
181.08719	27.5
182.08994	1.0
191.03540	1.8
205.01566	1.0
205.03482	2.1
211.02464	1.3
211.09760	1.9
229.05293	1.0
273.04929	2.0
300.99905	3.9
343.13766	2.7
373.15048	61.3
374.15369	5.8
389.09985	1.5
417.13876	4.4
433.03836	2.9
433.13132	20.2
433.17743	1.1
434.14011	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
57.03463	1.2
58.00605	3.0
59.01385	82.8
60.01714	0.9
60.35273	0.5
61.98837	1.5
65.00034	0.6
66.66788	0.6
69.03472	0.9
69.39027	3.8
71.01388	63.0
72.01719	0.6
72.99306	3.2
73.02952	20.5
75.00906	1.0
83.01391	3.5
83.34122	0.5
84.20277	0.5
85.02953	9.2
87.00890	2.9
89.02453	100.0
90.02787	2.0
95.01401	2.2
97.02970	1.4
99.00890	29.8
99.04498	0.7
100.84312	0.6
101.02453	43.8
107.22341	0.5
111.00883	0.7
113.02461	16.8
113.03262	0.9
115.04038	1.2
119.03514	14.2
125.02451	5.4
131.03513	17.2
132.03789	0.6
143.03539	2.8
149.04568	47.3
150.04903	1.0
161.04590	4.5
179.05606	4.7
191.05634	13.7
211.13435	0.6
221.06676	1.4
233.06613	1.7
251.07649	2.3
272.09323	3.4
291.46457	0.6
293.08710	0.9
299.99170	3.7
300.99625	1.9
301.16629	6.8
302.16736	0.6
433.04541	2.6
433.20657	16.1
434.20822	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	433.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	100.0
61.98837	8.9
69.61388	13.3
69.61794	5.7
71.01384	24.9
73.02957	6.9
81.88087	2.9
83.01377	5.0
85.02953	10.3
87.81976	2.9
89.02428	15.1
95.01415	3.0
99.00928	3.0
99.38115	2.7
101.02454	19.1
113.02441	9.7
119.03529	3.4
125.02444	4.4
149.94316	3.3
152.03549	6.1
153.12889	13.7
161.04552	11.0
173.13332	8.1
179.10780	6.9
197.02202	4.9
197.11861	22.9
211.13358	7.4
217.12306	5.2
235.13432	33.9
236.13734	3.7
253.09251	22.3
261.75146	3.4
269.04263	3.4
270.04117	3.8
299.99146	64.1
300.02209	2.4
300.99854	36.2
433.04120	36.3
433.10297	5.3
433.16214	21.5
433.24588	6.5
434.16913	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.6
57.03445	1.6
59.01386	100.0
60.01728	1.5
60.42154	0.8
61.08469	0.9
67.01925	0.9
69.97981	1.6
69.98386	2.3
71.01387	45.8
72.99295	1.0
73.02950	12.2
74.99089	1.1
75.00883	1.4
81.03482	1.0
83.01402	5.2
84.27394	0.9
85.02962	19.3
87.00901	2.7
87.46452	0.9
89.02451	8.2
95.01396	2.6
96.96944	1.7
97.02953	0.9
99.00909	6.8
100.38320	0.9
101.01795	1.7
101.02461	29.3
103.17846	0.9
107.01420	1.3
109.81067	1.0
113.02457	17.5
119.03508	3.2
123.00893	2.9
125.02437	5.3
131.70515	1.1
137.09753	1.7
143.03523	3.7
151.00337	1.7
153.01959	1.1
159.03015	5.0
161.04578	42.3
162.04871	1.6
169.01460	4.4
171.85406	0.9
179.05621	1.4
181.08727	24.8
182.09058	1.7
191.03482	0.9
223.97319	1.1
271.04620	1.0
271.50665	1.0
299.99347	1.0
300.99973	1.3
343.14090	2.1
373.15027	63.1
374.15454	6.7
417.13922	3.5
433.04007	1.3
433.13004	11.1
434.13937	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1355
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
51.83758	0.3
55.01880	0.8
56.35445	0.4
57.03440	0.4
59.01114	0.6
59.01389	8.4
61.01446	0.3
65.00346	0.4
65.36365	0.4
67.01884	1.6
67.09737	0.3
68.99829	0.4
69.90784	1.8
71.01387	6.7
72.99332	0.5
73.02946	1.5
78.95893	0.5
79.01900	1.3
83.01385	1.3
85.02975	2.8
87.00883	0.8
87.04520	0.5
89.02442	2.1
95.01398	2.4
96.96023	0.4
96.96935	0.7
97.02953	0.7
98.20571	0.6
99.00871	0.6
101.02454	3.9
104.96035	0.3
107.01400	4.9
109.02831	0.4
111.00895	2.7
113.02470	2.4
119.03493	1.4
119.07157	0.8
123.00902	15.5
124.01750	0.8
125.02464	17.7
126.02753	0.4
127.00368	0.9
128.15320	0.4
135.04517	0.4
136.98811	1.5
137.02422	0.8
139.00388	6.4
140.01183	3.3
141.01988	1.9
144.17715	0.4
151.00388	12.2
153.01933	1.3
161.04558	0.6
165.01901	0.3
168.00661	3.6
169.01439	24.9
170.01764	0.7
179.03488	0.5
195.63545	0.3
209.04674	0.5
211.02486	2.6
253.03676	0.5
271.04672	2.7
272.05051	0.5
300.99954	0.4
313.05731	2.2
357.08487	0.5
433.13538	100.0
434.13858	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	433.1357
Annotation	Rhyncoside A
Peak:m/z	Relative Intensity
52.81052	0.9
54.40870	0.8
55.01860	1.2
57.03430	1.2
59.01387	30.3
67.01874	0.8
69.03460	2.3
69.42193	1.4
69.42608	5.2
71.01389	20.8
72.99303	1.1
73.02945	5.8
83.01398	1.8
85.02958	9.2
87.00874	1.6
89.02457	5.3
95.01389	4.0
97.02991	0.9
99.00892	2.5
101.02453	12.6
107.01402	3.9
111.00890	2.4
113.02453	7.9
116.92934	1.0
119.03537	1.7
120.99639	0.9
123.00903	14.2
123.04499	0.8
125.02467	21.8
126.02824	0.9
127.00405	0.9
127.34375	0.9
136.98909	1.5
139.00401	7.2
140.01144	3.2
141.01955	2.0
141.34177	1.0
143.03429	1.0
151.00374	13.4
153.01930	1.2
157.88188	1.0
159.02985	1.7
161.04590	19.0
168.00641	3.9
169.01448	29.3
170.01912	1.2
181.08736	19.1
182.09006	1.4
189.78607	0.8
201.05540	1.0
211.02505	2.3
235.85075	0.9
271.04581	1.2
286.98441	0.9
313.05716	0.9
370.85553	0.9
373.15036	19.9
374.15536	2.7
389.09210	0.9
433.13489	100.0
434.13849	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	433.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00225	0.2
55.01888	0.3
57.03450	0.6
59.01109	0.4
59.01386	8.5
61.01795	0.3
61.98844	1.5
67.01896	0.4
68.99789	0.4
69.03455	0.5
70.86368	0.3
71.01389	5.1
71.57240	0.3
72.99281	0.3
73.02964	0.6
78.95923	0.6
82.41171	0.3
83.01386	1.0
85.02958	1.5
87.00889	0.4
89.02457	1.1
93.03465	0.8
95.01408	2.8
96.96985	0.9
97.02953	2.7
99.00880	0.4
101.02447	2.4
102.78712	0.3
107.01387	0.4
109.02954	1.0
111.00896	0.8
113.02474	1.3
117.03478	25.1
118.03805	1.2
119.05039	21.6
120.05379	0.7
121.02985	1.0
123.00917	1.9
123.04527	0.5
124.01679	0.8
125.02460	8.9
125.09741	0.7
127.00371	0.4
133.06619	0.4
135.04556	0.5
136.98856	0.5
138.03262	0.5
139.00374	2.7
139.03993	1.0
143.03484	0.3
145.02968	100.0
146.03307	4.1
147.04565	0.6
149.02480	0.5
151.00456	0.5
152.01135	0.3
153.01967	0.7
153.05624	0.5
154.02722	0.3
154.26158	0.3
157.44220	0.3
159.04488	0.8
161.02509	1.7
161.04617	0.7
161.06093	1.0
162.03197	0.7
163.04027	14.0
163.97229	0.3
164.04430	0.7
166.02747	1.2
167.03503	0.9
169.01408	0.6
175.04018	0.6
176.01335	0.4
177.01958	0.7
177.05585	0.8
178.02689	1.9
181.05101	1.3
187.04012	0.9
187.09848	0.3
191.03546	1.0
192.04318	1.2
193.05060	2.7
195.40804	0.3
203.03468	0.5
203.07063	0.3
204.04218	0.3
205.05060	1.2
207.06697	1.1
211.13460	1.0
217.05028	0.3
218.05884	0.8
221.04607	0.4
235.06183	0.7
247.05983	0.6
253.05219	0.5
255.06601	0.4
268.03983	0.4
269.04456	0.7
270.04443	0.8
271.05579	0.5
277.09674	0.4
285.04010	0.4
294.99463	0.3
299.99127	3.4
300.99924	1.6
307.08267	33.0
308.08612	3.0
343.08344	1.2
355.08295	0.4
358.10629	2.2
373.09283	0.4
373.13055	6.7
374.13339	0.8
385.13239	0.5
403.10168	1.4
403.14792	2.7
418.12537	2.6
433.04102	1.2
433.11411	18.5
433.15668	8.9
433.20953	2.5
434.05963	0.5
434.11743	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.5
59.01387	11.4
61.29816	0.4
61.98822	3.0
63.02410	3.2
65.00333	9.6
68.99824	0.9
69.70669	2.5
71.01389	3.8
72.99322	0.5
73.02969	1.7
73.70359	0.4
83.01400	8.1
85.02967	2.0
88.29568	0.5
89.02473	1.6
93.03457	5.2
95.01399	0.5
97.02995	0.5
98.20626	0.8
99.00871	0.5
101.02459	2.7
107.01405	19.2
109.02982	0.6
113.02483	1.9
117.03487	2.1
119.05043	36.1
120.05408	1.0
121.02980	1.0
123.00951	0.5
123.04520	0.5
125.02475	4.1
137.02470	1.6
138.03226	0.6
143.05043	1.0
145.02985	5.5
149.02493	0.7
151.00388	62.1
152.00740	2.1
153.01892	0.7
153.05585	1.3
161.02466	0.6
161.04630	1.2
161.06068	1.2
165.01961	7.8
168.04344	1.4
169.01448	2.7
175.00316	0.5
176.01152	1.2
177.01955	6.1
177.05643	0.5
177.96501	1.1
179.03517	1.1
185.06061	2.9
187.03993	3.4
191.03532	1.0
192.04259	1.7
193.01439	1.5
193.05287	0.6
194.05841	1.6
207.06686	1.9
208.03726	0.9
209.06276	0.6
209.08203	2.2
211.04141	0.6
223.06055	2.4
227.07149	3.9
233.99159	0.6
269.04391	0.5
271.06143	100.0
272.06476	7.5
295.06070	1.4
299.99173	4.2
300.99802	3.2
301.16623	1.8
302.00278	0.6
313.05569	4.0
373.13174	0.8
374.28357	0.5
393.80093	0.5
433.04269	2.8
433.11389	10.2
433.19949	3.9
433.28772	0.7
434.11859	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	2.3
61.98788	0.5
63.02393	0.9
65.00304	1.3
65.29132	0.5
71.01375	1.1
82.26682	0.5
83.01364	1.3
89.02462	0.6
91.01876	0.5
93.03435	0.9
100.00665	0.5
101.02451	0.7
107.01405	3.9
108.02148	1.7
109.02962	1.3
111.27926	0.5
117.03436	0.6
121.02945	2.0
125.02443	2.5
133.02972	0.6
135.00845	0.8
135.04518	0.6
137.02417	0.6
145.02942	0.6
148.01619	1.6
149.02425	0.5
151.00388	11.3
152.00819	0.6
159.04514	0.6
163.00450	3.2
164.01016	0.6
169.01436	1.2
178.99884	6.3
183.04468	0.6
187.03931	1.1
197.02769	0.6
199.03972	1.2
201.05530	0.6
203.03426	0.9
211.03972	1.6
215.03409	1.2
216.04337	1.1
223.06252	0.6
226.02718	2.8
227.03545	4.2
229.01779	0.5
243.03004	14.0
245.04550	1.5
254.02242	4.0
255.03001	26.5
256.03308	2.2
271.02505	63.4
272.02933	6.3
273.04037	0.9
283.02460	1.2
299.01990	1.2
300.02762	100.0
301.03494	61.6
302.03885	4.7
433.07813	58.1
433.16174	0.5
433.20569	1.0
434.08118	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	433.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.0
63.02392	1.2
65.00295	2.2
67.19579	0.6
69.34102	1.4
69.34486	4.6
71.01389	1.1
83.01376	1.9
89.02427	0.8
93.03429	1.1
98.20626	1.0
102.49329	0.6
107.01408	4.4
108.02146	1.9
108.02806	0.7
109.02990	3.1
114.34355	0.6
121.02956	4.3
124.15773	0.6
125.02382	1.3
135.00853	1.7
145.02907	1.8
148.01610	2.2
150.99213	1.0
151.00381	19.4
159.04503	0.8
159.25508	0.6
163.00394	5.9
164.01044	1.6
169.01511	0.9
176.22192	0.6
178.98445	0.9
178.99892	10.0
183.04507	0.8
187.04037	1.4
190.99989	0.8
193.01337	0.7
199.03970	0.8
201.05528	0.7
203.03381	1.0
211.03995	1.8
215.03596	0.9
226.02676	1.2
227.03459	4.1
229.01263	0.9
229.05038	1.2
241.21706	0.6
243.02992	12.6
244.03448	0.8
245.04626	2.8
254.02150	2.8
255.03017	29.7
256.03476	2.8
271.02496	60.4
272.02890	4.8
273.04059	1.1
283.02448	2.2
299.02051	1.8
300.02765	97.1
301.03519	100.0
302.03909	8.7
307.08136	0.9
433.07828	45.6
434.08218	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	432.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72512	1.0
59.01113	1.3
59.01386	22.7
60.01715	2.9
61.01797	3.7
61.98837	100.0
71.01381	3.0
71.56716	1.6
73.02962	0.9
85.02996	1.2
86.98101	0.9
89.02457	3.6
90.02760	1.1
101.02481	2.6
105.18719	1.0
107.01406	1.2
111.00886	1.6
113.02476	1.9
117.03441	1.0
118.03799	1.1
119.03498	1.3
123.00936	1.8
125.02457	3.4
126.02814	1.1
137.02507	1.1
145.02965	4.4
146.03320	1.7
151.00372	2.4
152.00783	1.3
164.01797	1.1
169.01402	3.2
240.03973	1.5
241.04787	1.2
268.03806	11.4
269.04141	31.3
270.04816	8.8
271.09790	2.2
288.37375	1.0
299.99084	7.5
300.02362	1.8
300.99823	2.8
301.03571	5.0
308.08411	1.2
402.86169	0.9
432.10077	25.1
432.15909	14.2
433.03711	2.3
433.10339	1.6
433.15900	2.0
455.98074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0416
Annotation	Etravirine
Peak:m/z	Relative Intensity
57.97971	0.2
59.01373	0.2
60.28601	0.2
65.82204	0.2
71.01366	0.3
111.00912	0.3
113.67287	0.2
131.57991	0.2
132.02182	0.6
140.01172	0.3
144.02164	0.3
147.00810	0.2
148.01666	0.3
150.04860	0.2
160.01649	1.0
161.99408	0.2
168.00612	1.1
172.01701	1.1
173.02353	0.3
185.02443	0.3
188.01144	0.7
200.01163	2.4
201.01857	0.7
216.00653	3.0
226.99850	0.4
228.00641	1.3
229.01393	0.8
242.99313	1.7
244.00150	2.9
245.00763	0.4
257.01074	0.3
270.98975	1.0
271.99603	1.2
282.98846	1.0
283.99536	0.6
298.98260	1.1
299.99130	100.0
300.99844	32.8
302.00195	2.1
433.04150	49.5
434.04483	5.7
434.10370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.8
59.01386	40.3
60.01724	2.1
61.01809	0.7
61.98837	100.0
65.00365	1.0
71.01388	8.5
71.56662	0.9
73.02962	2.7
81.30946	0.8
83.01402	1.4
85.02962	3.2
87.04518	0.9
89.02448	5.8
95.01400	1.3
99.00935	1.1
101.02462	4.6
106.52089	0.7
107.01433	1.7
108.02186	0.7
109.02989	2.0
113.02497	3.7
117.03485	0.8
119.03542	1.4
119.05029	1.1
120.93288	0.8
121.02990	1.6
123.00816	1.0
125.02459	3.1
131.03491	0.8
133.03000	1.4
137.02475	1.2
139.00333	0.9
143.03561	0.8
145.02948	4.4
146.03291	1.1
148.01662	1.0
151.00406	5.0
151.72929	0.8
161.02487	0.9
161.04593	2.9
163.00465	1.7
163.68999	0.8
165.02017	1.0
178.99878	2.5
191.46031	0.8
199.04091	1.5
211.04109	0.8
221.06729	1.0
227.03592	1.5
243.02934	3.9
255.03000	9.4
269.04349	0.9
271.02502	17.3
299.01685	1.0
299.99246	12.3
300.02878	29.2
301.00092	6.8
301.03488	42.7
373.22424	3.1
432.06268	0.8
433.08563	11.5
433.20081	1.2
433.24921	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01704	1.7
62.93123	1.5
71.01381	2.5
85.02974	1.4
98.19865	3.1
117.03456	3.6
119.05038	3.0
125.02467	1.8
135.81767	2.2
145.02950	10.7
152.99651	2.3
163.04042	2.1
241.05788	1.6
268.03741	26.4
269.04520	25.4
270.04843	2.6
295.79547	1.6
297.24316	2.6
327.89581	1.6
371.20804	2.8
400.48151	1.7
431.09875	17.6
431.24252	2.7
431.31625	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	432.1071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60963	0.8
59.01382	13.8
71.01377	7.6
71.57178	1.2
73.02934	2.4
78.98792	0.8
83.01382	1.2
85.02959	2.4
89.02456	2.7
95.01385	1.2
99.00874	1.0
101.02462	4.4
108.02186	8.1
113.02470	2.3
119.03508	2.1
120.47166	0.8
138.01982	100.0
139.02306	3.0
151.20091	0.8
161.04544	3.0
181.11055	0.7
268.03696	1.8
269.04309	6.3
270.04871	3.7
299.99100	9.7
300.99899	3.8
302.34937	1.0
326.82758	0.8
372.21774	0.9
425.39539	0.8
432.09998	2.4
433.03995	4.5
433.28104	1.3
449.35532	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2203
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
54.05994	0.3
56.92614	0.3
59.01387	2.1
75.00858	0.8
78.76781	0.3
78.95909	70.8
90.49716	0.3
96.96971	5.9
98.19896	0.7
150.98036	1.6
152.99594	100.0
153.99953	1.8
171.00655	2.8
241.04752	0.3
268.03851	1.4
269.04688	1.5
277.21710	0.8
283.61282	0.3
404.02957	0.3
431.09747	0.7
431.22009	10.3
431.33670	0.6
432.22540	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2289
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01719	1.1
61.98838	10.7
68.49928	0.8
71.01389	8.3
71.57751	0.7
72.99326	0.8
73.02954	3.0
83.01405	1.9
85.02957	3.8
87.00888	0.8
87.91235	0.6
89.02464	4.0
91.50412	0.6
95.01400	1.1
96.06894	0.5
96.95998	0.7
99.00894	1.1
101.02446	8.6
101.64642	0.6
107.01412	1.3
113.02477	4.6
117.03506	1.0
119.03544	1.9
123.00915	0.8
136.31619	0.6
145.03062	0.7
151.00420	0.7
161.04591	4.9
169.01483	1.0
169.19324	0.6
208.99565	14.0
239.03673	1.1
240.04480	2.1
246.65494	0.7
251.01013	0.9
267.03232	0.8
268.03778	24.8
269.04562	25.4
269.08267	2.7
270.05029	1.4
285.04153	1.2
301.00281	0.8
371.20734	6.8
372.21051	0.8
404.01367	0.7
431.09943	10.6
431.15378	1.0
431.21454	0.9
431.26703	1.0
449.63101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91652	1.2
59.01385	100.0
60.01729	1.8
66.34317	1.1
67.01892	2.4
67.29544	1.2
69.03462	1.3
69.69095	4.5
69.69505	1.7
71.01389	11.3
71.05029	9.9
72.16367	1.1
72.99323	1.6
73.02983	2.1
79.01911	2.8
79.10998	1.1
83.01413	1.6
85.02964	3.8
87.04522	1.8
89.02452	6.1
89.24518	1.4
95.01405	3.8
95.29292	1.1
97.02987	1.9
99.00883	1.4
99.04525	3.5
101.02451	6.1
101.06076	3.5
107.01411	10.3
108.02159	2.5
109.02961	1.7
111.00904	3.6
113.02472	2.5
113.06037	1.1
117.05591	49.9
119.03510	2.1
122.57772	1.1
123.00892	28.5
123.04541	1.1
124.01685	1.6
125.02461	43.9
126.02793	1.8
136.98904	1.3
138.01991	16.3
138.05629	14.4
139.00374	9.1
140.01195	3.7
141.01949	4.6
145.02838	1.2
151.00395	23.8
153.01985	1.3
159.06656	2.8
161.02466	3.9
167.03558	1.2
168.00641	5.0
169.01442	69.2
170.01764	2.0
176.04784	3.0
179.03459	5.8
193.01392	1.7
194.05841	4.7
195.06685	4.0
209.08220	17.2
211.02533	13.9
217.81694	1.1
223.02502	1.1
247.02533	1.4
253.03592	2.0
271.04547	6.5
285.00415	3.6
300.99939	1.6
312.99869	4.5
313.05646	11.3
388.14172	1.4
401.11160	1.2
413.11090	2.1
431.02548	3.2
431.11899	66.0
431.16138	35.1
432.12027	5.8
432.16217	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	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36547	0.9
59.01385	100.0
60.01725	1.3
61.98813	0.9
71.01398	6.2
71.57617	0.9
73.02947	2.5
83.01411	1.3
85.02952	1.9
89.02448	3.7
101.02442	4.8
111.00879	1.5
113.02457	3.3
118.40523	0.9
119.03548	1.2
120.34944	1.0
121.02946	1.1
123.00896	3.1
125.02455	4.1
138.01999	2.9
151.00294	1.6
151.04022	2.7
161.04550	2.1
163.04123	1.1
169.01430	5.4
179.03511	24.3
180.03947	1.3
194.05861	34.2
195.06155	1.7
209.08217	66.3
210.08545	3.7
219.02995	1.0
278.71634	1.0
284.37808	1.1
295.19904	1.1
313.75861	1.0
431.15289	15.0
431.20035	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1352
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
53.87117	0.3
59.01386	17.7
60.01725	0.8
61.98837	3.9
63.10457	0.3
71.01392	3.5
73.02962	1.4
83.01411	0.5
85.02954	1.7
89.02454	2.7
93.03438	0.6
95.01439	0.6
95.05054	1.3
97.16966	0.3
99.11459	0.3
101.02448	2.3
105.03516	0.4
107.01384	0.4
113.02464	1.2
117.03481	25.9
118.03843	0.9
119.03514	0.8
119.05040	9.5
120.05353	0.5
121.02978	0.7
123.04539	27.8
124.04853	0.8
125.02472	1.0
131.44579	0.3
133.02980	1.0
145.02968	100.0
146.03316	4.2
149.02495	0.7
161.04565	0.7
161.06053	0.5
163.00307	0.4
163.04037	7.4
164.04390	0.6
169.01439	1.6
170.08636	0.3
187.04086	0.8
199.04047	0.5
200.18433	0.3
205.04985	0.3
226.04628	0.3
235.06163	0.4
247.06062	0.7
263.15015	0.5
268.03732	1.0
269.04468	1.1
270.01678	0.3
299.02023	2.4
300.99976	0.9
307.08252	22.5
308.08563	1.9
371.20700	1.5
395.19208	3.8
396.19321	0.4
431.06329	1.2
431.13382	23.1
432.13596	2.6
434.20087	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81209	0.7
59.01386	100.0
59.59861	0.8
60.01699	1.1
69.57219	5.8
71.01380	1.0
101.02451	1.2
125.02424	4.5
144.82991	1.0
161.02441	3.1
169.01476	5.0
176.04758	2.2
179.03510	5.9
191.07156	1.0
194.05836	5.9
199.87662	1.0
209.08202	17.3
210.08601	1.3
393.97012	0.8
431.11664	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	431.1351
Annotation	2-(3,4,5-Trimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
Peak:m/z	Relative Intensity
55.01873	0.6
57.03445	0.6
59.01384	15.5
61.98822	0.6
64.15308	0.2
69.18995	2.6
69.19412	0.4
71.01388	5.1
71.01777	0.4
72.99290	0.2
73.02946	1.9
83.01379	1.4
85.02965	2.7
87.00838	0.4
87.04490	0.3
89.02446	0.9
95.01413	0.6
97.02959	0.2
98.19846	0.5
99.00888	0.6
101.02456	3.4
104.55187	0.3
105.03484	0.8
113.02464	1.7
117.03472	1.4
119.03516	0.3
119.05038	0.3
121.02912	0.4
125.02454	0.5
132.02199	1.7
133.02965	35.5
134.03166	1.3
135.04533	7.0
137.02438	0.6
139.04033	0.4
145.02963	0.7
159.03003	0.5
161.02452	100.0
162.02788	4.0
163.04016	0.4
179.03473	2.7
192.64244	0.3
197.49365	0.3
221.99200	0.3
239.03513	0.4
240.04172	0.4
268.03763	8.0
269.04526	6.9
269.17557	0.8
270.04916	0.5
285.04129	1.1
287.70129	0.3
301.09494	0.3
341.15146	0.3
371.20685	1.8
372.20947	0.3
431.13589	56.1
432.13892	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	431.1195
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
55.01885	0.6
59.01385	45.2
67.01894	1.5
68.99846	0.7
70.44455	2.1
71.01395	9.5
72.99280	1.1
73.02958	2.4
76.39780	0.7
79.01896	1.1
82.61610	0.6
83.01385	1.2
85.02976	4.1
87.00876	3.5
87.04521	2.6
88.98776	1.2
89.02445	2.7
95.01391	2.2
96.96001	1.1
96.96961	1.1
97.02949	1.3
99.00868	1.0
101.02464	5.1
107.01403	7.7
109.02980	0.7
111.00932	3.3
113.02480	3.7
113.03148	0.6
117.05591	1.6
123.00906	16.6
123.04520	0.7
124.01656	1.9
125.02458	25.0
125.06066	0.7
126.02796	0.9
127.00390	0.7
136.98834	1.3
139.00388	6.0
140.01218	3.6
141.01924	2.6
150.99211	0.9
151.00389	12.6
151.04005	0.8
153.01926	1.6
161.02420	1.4
161.04608	0.8
168.00665	4.1
169.01445	35.1
170.01749	1.6
176.04727	0.9
179.03497	2.6
194.05861	2.2
209.08185	6.5
211.02466	4.7
255.05173	0.9
261.03406	0.6
271.04633	4.7
271.62439	0.7
300.99774	1.2
313.05823	3.3
375.23160	0.6
387.09241	0.8
405.25909	0.7
431.11917	100.0
432.12390	9.7
440.40497	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
50.58486	1.0
59.01385	64.8
67.01891	2.9
69.40862	6.3
69.41275	2.6
71.01384	14.2
71.05024	11.8
72.99319	2.7
73.02938	3.2
75.00883	2.1
78.16315	1.1
79.01899	3.1
85.02950	4.4
87.04504	3.1
89.02448	6.1
91.74941	1.1
93.61478	1.2
95.01395	5.4
97.02942	2.6
98.19878	2.6
99.00895	2.5
99.04536	2.7
101.02453	4.5
101.06099	3.8
107.01394	10.2
107.05080	1.2
108.02180	1.3
111.00857	3.8
113.02448	4.7
113.06019	1.1
117.05589	72.4
123.00901	28.6
123.59026	1.1
124.01678	1.8
125.02462	50.3
131.07114	2.0
136.98808	2.8
138.01973	11.6
138.05612	20.4
139.00385	12.2
139.80966	1.3
140.01166	4.0
141.01950	4.4
151.00380	24.6
151.03995	1.3
153.01910	3.6
159.06651	6.6
161.02397	2.7
167.03444	1.3
168.00662	7.0
169.01434	97.3
170.01775	2.9
179.03453	5.1
193.01375	2.4
194.05827	2.5
195.06696	1.8
209.08202	11.3
211.02499	18.6
253.03514	2.7
258.59485	1.1
271.04648	5.0
285.00360	5.1
299.98941	2.1
300.99796	1.5
312.99860	5.1
313.05630	18.3
331.06531	1.8
340.99338	1.4
343.88232	1.4
360.66327	1.1
413.10797	5.3
431.02484	5.5
431.11188	100.0
431.16110	17.4
432.11972	6.7
432.15884	5.8
439.24582	1.2
442.67337	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.7
59.01386	47.0
60.37405	0.6
61.75262	0.6
67.01893	1.7
69.03472	1.7
71.01389	12.5
71.05021	3.3
71.56435	0.8
72.99313	1.6
73.02955	17.1
77.27486	0.6
79.01907	2.4
79.34730	0.6
83.01397	8.0
85.02942	2.3
87.00900	1.2
87.04552	1.1
89.02451	4.2
95.01402	3.0
97.02951	1.8
99.00883	0.7
99.04517	0.8
101.02456	10.9
101.06091	1.2
102.02754	0.7
107.01407	8.0
110.71661	0.6
111.00874	2.3
113.02466	5.9
117.05592	29.7
119.03514	1.6
121.02990	0.8
123.00900	25.2
123.04543	1.1
124.01662	1.4
125.02463	44.5
126.02792	1.6
137.02461	1.6
139.00372	7.8
139.04013	1.9
140.01158	1.1
141.01926	2.9
143.03526	0.7
147.04541	0.7
149.02448	1.1
150.99179	1.3
151.00372	17.4
151.04066	0.9
152.00697	0.7
159.06668	3.1
161.02480	1.7
161.04579	1.0
166.99899	1.3
168.00662	6.3
169.01447	75.1
170.01743	2.5
179.03462	1.9
183.62117	0.7
192.99788	0.7
193.01457	1.7
194.05811	1.5
195.06674	1.1
197.02762	0.7
209.08128	4.9
211.02504	12.7
227.57376	0.7
247.02579	0.7
248.26691	0.7
253.03600	1.6
271.04559	3.8
275.01752	0.7
279.10818	4.8
280.11618	0.6
301.00101	1.6
312.99991	0.7
313.05704	8.1
373.07809	16.2
374.08054	0.8
413.10846	9.6
414.11551	0.9
431.11884	100.0
432.12143	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	431.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
65.00332	0.9
69.54705	1.4
71.01385	0.8
73.02970	0.2
75.36875	0.2
83.01397	0.7
84.18062	0.2
85.02939	0.2
85.30101	0.2
89.02484	0.2
89.78703	0.2
98.19846	0.3
101.02438	0.5
107.01402	1.7
113.02470	0.4
117.03497	0.2
121.02929	0.3
121.67186	0.2
132.02193	0.4
133.02968	12.5
134.03346	0.4
135.04533	1.0
139.00430	0.2
149.02446	1.5
151.00386	5.3
159.19212	0.2
161.02464	11.5
162.02831	0.4
169.06650	0.2
171.04573	0.5
173.02275	0.2
175.04010	3.4
179.03503	0.3
197.06047	0.4
198.03195	0.5
199.04048	2.4
201.01947	1.0
213.05571	0.2
214.02620	0.2
215.03497	0.3
217.05048	1.8
223.04091	0.4
229.05219	0.3
241.04979	1.1
243.02995	0.8
243.53607	0.2
256.03790	3.0
257.04443	0.6
267.02930	0.4
268.03745	1.8
269.04510	1.5
284.03268	4.2
285.04068	100.0
286.04410	8.3
309.06342	0.2
371.20718	0.3
421.32291	0.2
431.09299	19.8
432.09784	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51255	0.3
57.65457	0.3
59.01385	9.5
61.98780	0.6
63.02404	2.4
65.00314	1.5
67.61897	0.2
69.34128	1.0
69.34552	1.4
71.01391	2.0
73.02928	0.4
83.01385	0.6
85.02930	0.6
87.00856	0.4
89.02435	1.5
93.03450	1.1
95.01364	0.5
101.02416	0.9
107.01411	4.1
111.00864	0.6
113.02415	1.0
117.03484	7.5
118.03743	0.3
119.03481	0.5
121.02974	1.0
123.00863	0.7
125.02421	1.0
140.01147	0.7
149.02441	3.4
151.00378	3.8
159.04500	3.1
161.02469	2.5
161.04532	0.5
163.37279	0.3
168.00601	1.0
169.01387	1.4
169.06589	1.1
171.04543	0.3
173.05957	0.3
180.05833	0.3
181.06526	0.7
181.46985	0.3
183.04497	3.8
188.94809	0.3
195.04504	0.6
196.05261	1.5
197.06105	1.7
199.04016	0.4
201.05600	1.7
224.04774	0.5
225.05588	5.3
227.03452	0.8
238.05928	0.3
240.04315	0.7
241.05113	0.6
253.64384	0.3
268.03754	0.9
269.04572	100.0
270.04913	7.8
281.04367	0.3
283.06003	0.4
284.03314	0.7
285.04034	0.4
298.85400	0.3
311.05515	1.5
355.59332	0.3
371.21002	0.7
431.09912	50.3
431.15588	4.4
432.10092	6.1
432.15399	0.6
436.59293	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03439	0.4
59.01386	33.4
60.01714	0.4
61.98844	1.6
63.02403	0.4
65.00317	1.0
66.00092	0.3
69.03444	0.4
69.33761	2.7
71.01395	4.6
72.99329	0.3
73.02942	0.8
73.62436	0.3
75.69988	0.3
83.01391	1.5
85.02971	1.9
87.00828	0.4
89.02462	2.4
93.03453	0.4
95.01350	0.3
97.02956	1.3
97.15579	0.3
98.19956	0.7
99.00877	0.3
99.04549	0.3
101.02455	4.0
105.03436	0.3
107.01391	2.4
109.55842	0.3
113.02471	1.6
117.03507	0.8
119.03491	0.9
121.02869	0.3
123.00871	0.4
125.02425	0.7
132.02228	0.3
133.02969	9.4
134.03241	0.3
135.04497	0.5
141.01968	0.9
142.99866	0.5
145.02951	0.7
149.02467	2.0
151.00374	5.9
159.02992	0.5
161.04572	2.4
169.01419	0.6
171.04553	0.5
172.05319	0.3
173.09702	0.7
174.10532	0.8
175.04041	3.2
187.03998	0.3
189.12874	4.5
197.02170	0.4
199.04004	2.2
200.04767	0.3
201.01958	0.7
206.41277	0.3
209.11919	0.3
209.15572	0.4
211.04012	0.4
212.04683	0.3
213.05646	0.6
215.03488	0.5
217.05099	1.3
223.03908	0.3
225.10367	0.4
233.11841	10.5
234.12209	1.0
239.03429	0.9
240.04214	1.3
241.05025	0.9
243.03123	0.7
255.02942	0.6
256.03741	0.8
257.04315	0.4
259.40375	0.3
267.02917	0.5
268.03799	22.3
269.04565	21.1
269.17603	1.1
270.04984	1.6
283.02451	0.7
284.03244	1.1
285.04074	100.0
286.04413	7.7
298.04776	0.4
371.20755	4.7
372.21027	0.5
431.09851	16.5
431.22870	2.9
432.09952	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	431.0986
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
51.46443	0.5
63.02414	0.6
65.00343	0.7
69.47272	0.4
69.95493	2.3
83.01379	1.3
88.39905	0.5
88.86807	0.4
92.49121	0.5
107.01406	3.1
117.03455	3.4
120.00630	0.4
131.46747	0.5
148.01639	0.6
149.02464	1.8
149.99591	0.9
151.00374	5.5
159.04550	0.7
171.04558	1.1
172.05162	0.7
179.33749	0.6
183.04504	0.6
184.05280	0.5
195.04524	0.6
196.05273	1.1
200.04796	0.8
211.04022	2.4
212.04785	1.5
212.07245	0.4
239.03506	5.1
240.04282	6.4
241.04808	0.6
267.03018	2.9
268.03781	100.0
269.04541	87.4
270.04919	6.1
282.05438	1.0
283.06281	0.6
311.05688	2.1
408.67468	0.5
431.09848	31.2
432.10211	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.78103	0.9
59.01387	67.6
60.99316	8.0
69.82848	1.2
70.69714	3.1
71.01389	11.5
71.45081	1.0
72.99323	1.7
73.02942	1.9
85.02962	3.8
87.00896	1.9
87.04530	1.5
88.98818	49.7
89.02454	3.5
95.01410	3.3
96.96015	1.1
96.96928	1.5
97.02917	1.3
99.00874	1.1
101.02444	6.7
107.01410	6.1
111.00883	3.5
113.02457	4.2
123.00904	17.3
124.01678	1.6
125.02462	23.1
133.02930	2.6
137.02472	1.3
139.00377	5.7
140.01158	3.6
141.01938	2.9
151.00381	9.8
151.04010	1.9
153.01915	1.7
160.88054	1.2
161.02466	11.9
161.04582	2.0
168.00639	4.5
169.01437	35.0
170.01825	2.2
176.04765	1.9
179.03542	5.4
180.07965	1.2
194.05864	4.6
201.69412	1.0
209.08235	9.2
210.50674	1.1
211.02545	8.4
216.66354	1.1
225.11372	1.0
271.04633	14.6
313.05664	2.6
331.06747	2.7
341.08749	4.1
431.11935	100.0
432.12408	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.9
58.00587	0.7
59.01386	100.0
60.01730	1.3
61.98835	1.4
71.01392	7.5
71.56984	0.5
71.57329	0.9
73.02966	1.4
78.95920	0.9
81.86970	0.5
85.02966	1.6
87.00893	0.9
88.95865	0.7
89.02449	8.1
95.01389	1.0
96.96072	1.0
96.96999	0.8
99.00891	1.2
101.02438	4.9
107.01423	0.8
109.02972	1.1
111.00888	0.6
113.02455	3.6
119.03548	2.5
119.05006	0.6
123.00935	1.4
125.02471	6.0
131.03535	0.7
135.04605	0.7
137.02466	0.7
145.02922	0.7
152.01241	0.7
153.02011	0.7
161.04536	2.8
163.11328	1.2
165.02005	1.1
169.01433	5.5
170.01773	1.0
179.05669	2.6
207.13976	1.5
209.01025	1.4
219.14032	1.1
248.03252	0.8
275.02042	1.0
300.99881	3.2
302.00262	1.6
313.59457	0.7
325.03711	0.7
325.16776	0.8
357.05563	0.6
385.05142	0.8
429.14282	1.7
429.21930	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10088	0.3
57.60139	0.4
58.00592	0.9
59.01385	100.0
60.01716	0.9
61.98849	0.4
69.48676	2.0
71.01387	18.6
72.99325	0.7
73.02969	0.5
83.01420	0.7
85.02966	2.6
87.00882	1.5
89.02454	25.2
90.02787	0.5
95.01388	0.7
96.96048	1.0
97.33038	0.3
99.00887	0.4
101.02452	8.6
102.28011	0.3
113.02460	7.4
119.03513	9.5
125.02489	0.6
125.46345	0.3
131.03540	1.2
135.04503	0.3
137.02615	0.3
139.04022	0.7
143.03516	2.1
149.04576	0.7
152.31267	0.3
161.04573	2.0
175.48888	0.3
179.05640	5.1
180.73584	0.3
189.12971	0.4
231.18526	0.3
297.13287	0.4
417.14828	0.3
429.13120	0.4
451.59729	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95195	0.5
56.30334	0.4
59.01386	49.0
59.78317	0.5
61.98842	1.0
67.01887	1.9
69.03456	1.6
71.01388	12.2
72.99306	0.9
73.02937	2.0
79.01897	2.0
81.03463	0.6
83.01384	2.0
85.02946	2.0
85.46002	0.5
87.00892	1.3
87.04522	1.1
89.02454	5.5
89.22350	0.5
93.03475	0.7
95.01382	2.4
96.96046	0.8
97.02963	5.5
99.00877	0.9
101.02454	5.3
107.00731	0.7
107.01395	7.7
109.02988	0.7
110.00119	0.5
111.00868	0.8
113.02448	3.9
115.07663	20.0
116.07946	0.7
119.03501	1.4
121.02957	0.6
123.00896	28.1
125.02458	30.0
125.38253	0.6
126.02798	1.3
129.09229	32.0
130.09572	0.9
135.08157	0.9
137.02409	2.0
139.00371	7.8
139.04041	0.9
140.01111	1.1
141.01956	7.6
143.32098	0.5
145.97110	0.6
148.73581	0.6
151.00374	19.7
152.00687	0.9
153.01917	1.2
157.08701	1.5
161.04524	1.9
165.01894	0.7
166.99821	0.6
167.03503	1.2
168.00658	3.9
169.01440	51.8
170.01820	1.9
175.96765	11.9
175.98174	0.4
179.05713	0.5
181.01431	0.9
182.02217	0.6
183.02950	0.8
183.06578	0.6
193.01404	1.1
211.02504	9.3
231.99380	14.2
253.03496	1.4
267.15955	1.1
268.03851	0.7
269.04636	0.8
285.03952	0.6
313.05676	4.5
369.11832	1.6
385.05652	0.9
429.13995	100.0
430.14450	11.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1407
Annotation	Shermilamine C
Peak:m/z	Relative Intensity
55.01883	0.9
57.03438	0.7
59.01387	47.2
61.98835	1.3
67.01890	1.8
69.03452	2.3
71.01392	13.2
72.99311	1.6
73.02945	2.0
79.01884	3.2
80.64648	0.6
83.01395	1.4
85.02959	3.2
87.04510	0.7
87.05408	0.6
89.02444	4.7
95.01399	4.1
96.95988	0.8
97.02965	4.8
98.20662	1.6
99.00891	1.5
101.02460	4.1
107.01388	6.7
111.00866	1.1
113.02439	4.1
115.07661	19.1
119.03522	1.7
123.00902	29.3
125.02462	33.0
129.09239	29.7
129.10199	1.6
130.09621	1.1
134.50171	0.7
135.08258	0.7
137.02480	1.6
139.00400	8.2
140.01141	1.7
141.01978	6.0
151.00388	19.0
152.00786	0.9
153.01964	1.4
157.08688	2.5
161.04584	1.4
163.11266	1.2
165.01854	0.8
166.99915	0.8
167.03554	1.1
168.00658	2.6
169.01445	50.6
170.01775	2.3
175.96768	12.1
179.05605	1.3
183.02985	0.8
193.01384	1.8
211.02505	9.2
223.02446	1.0
231.99394	16.2
253.03619	1.5
266.26120	0.7
267.15997	1.5
285.03867	1.0
313.05704	5.9
369.11938	1.9
410.65848	0.8
410.96011	0.8
429.14026	100.0
430.14514	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	429.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58249	0.2
57.79218	0.2
59.01385	0.8
69.78365	0.7
69.78784	0.4
99.00894	0.5
99.92594	4.9
100.92704	0.3
100.93374	3.9
115.92093	100.0
116.92097	5.5
116.92883	5.4
117.92567	0.3
132.92392	0.9
172.95499	5.1
173.95563	0.3
255.23405	0.9
290.07382	0.2
310.31256	0.2
355.15909	0.6
356.16245	0.3
381.17453	0.9
382.17737	0.2
411.18326	0.4
429.19604	4.5
429.29269	0.2
429.35318	0.3
430.19843	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	9.2
60.10439	0.7
65.53358	0.7
67.01893	1.3
69.03444	0.7
71.01401	6.6
72.99317	1.8
73.02968	0.7
79.74497	0.7
83.01402	1.3
85.02966	1.9
89.02448	4.5
95.01406	2.2
98.19886	2.1
101.02478	2.0
107.01414	6.7
111.00876	3.1
113.02444	3.7
119.03416	0.8
123.00893	12.1
124.01672	2.6
125.02458	34.3
126.02801	0.9
127.00372	1.1
136.98811	1.6
137.02438	1.4
139.00388	5.7
140.01225	4.9
145.02962	3.0
151.00389	6.5
153.01901	1.1
161.02505	1.8
165.01924	0.9
167.03490	1.6
168.00659	14.3
169.01439	48.2
170.01796	2.2
211.02502	57.4
212.02850	2.7
241.03589	1.5
271.04608	100.0
272.05005	5.1
313.05643	0.9
331.06741	12.1
429.14066	67.7
430.14236	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01454	2.6
61.98883	0.4
67.01944	0.4
70.80897	0.5
71.01465	1.5
71.56163	0.5
78.61662	0.4
78.95961	0.4
83.01442	0.5
85.03022	0.9
89.02523	1.0
91.27611	0.4
93.03522	0.6
93.26629	0.4
95.01471	0.6
96.96085	0.8
101.02527	0.9
107.01455	0.5
109.03033	1.1
111.00933	0.6
113.02529	0.9
115.04107	1.0
119.05091	0.5
122.03818	0.5
123.00896	2.2
123.04581	1.2
124.01686	1.8
125.02468	4.6
127.68053	0.4
136.04134	0.9
137.02428	2.5
137.04440	0.4
138.03244	30.4
139.00406	1.1
139.03712	0.6
140.01237	0.6
145.03009	1.5
149.02509	0.7
150.03275	2.1
151.00372	1.9
151.04070	2.2
151.07669	2.8
152.01233	0.8
153.02029	1.0
161.04698	0.4
161.06093	1.0
162.55241	0.4
163.04079	1.0
164.04784	2.4
168.00696	1.6
169.01440	6.2
177.04132	0.4
177.05623	0.8
179.07155	65.6
180.07495	3.9
193.01447	0.9
203.03520	1.3
205.05080	3.4
211.02496	1.1
223.06146	11.7
224.06361	0.7
242.12704	0.5
249.04065	4.0
267.05121	100.0
268.05441	7.0
271.04523	0.9
313.05679	0.6
331.06769	0.5
369.24918	0.5
385.05124	0.6
421.10498	0.4
429.09735	19.8
430.10266	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	429.104
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00591	0.7
59.01109	0.9
59.01384	10.5
59.01672	0.4
65.24911	0.5
67.01884	1.2
69.97678	2.6
71.01389	4.9
72.99304	1.2
83.01393	1.2
85.02950	2.1
89.02453	2.8
93.03472	7.2
93.66505	0.6
95.01391	1.5
96.96019	1.3
97.02965	0.5
101.02428	2.8
107.01404	4.4
109.02969	0.7
110.00101	0.6
111.00894	2.9
111.04535	1.3
113.02454	1.5
119.03532	0.6
123.00894	6.2
124.01649	2.7
125.02458	28.5
126.02834	0.9
127.00398	1.2
135.04480	0.6
136.98830	1.7
137.02443	6.7
138.03268	4.4
139.00369	4.4
139.04030	0.7
140.01166	3.8
149.02480	1.1
151.00346	3.0
153.04239	0.6
153.05499	0.5
155.03471	2.0
165.01942	1.0
167.03508	1.6
168.00664	13.8
169.01445	40.5
170.01717	1.6
177.05557	0.6
179.05717	0.9
179.07161	9.9
183.02974	0.8
193.01442	1.8
205.05029	0.8
211.02496	57.8
212.02786	2.4
223.06212	3.1
241.03574	2.3
249.04039	0.9
260.18231	0.6
267.05167	7.6
267.08063	1.1
268.05511	0.7
271.04611	100.0
272.04889	6.5
301.00009	1.2
313.05698	1.1
331.06699	10.7
385.11270	0.7
429.10376	32.7
430.10577	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	429.0443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57444	1.2
57.51340	1.6
59.01383	12.6
59.56454	1.4
65.36797	1.5
69.44392	11.0
69.44717	2.3
70.71068	1.3
71.01395	6.2
73.85251	1.4
74.12839	1.3
78.95888	1.6
85.02955	1.9
89.02447	6.9
96.96017	19.6
96.96960	2.3
101.02429	3.6
107.01394	2.4
113.02483	2.2
119.03502	1.8
121.10368	1.3
123.00906	9.9
125.02462	22.0
138.20425	1.5
139.00389	3.8
151.00368	13.9
168.00648	3.5
169.00003	2.8
169.01439	55.0
170.01788	3.6
179.07158	1.9
184.69675	1.4
211.02516	14.5
271.04654	13.1
331.06723	100.0
332.07028	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	429.0828
Annotation	3,5,8,3'-Tetramethoxy-6,7:4',5'-bis(methylenedioxy)flavone
Peak:m/z	Relative Intensity
59.01386	30.5
61.98846	1.3
66.47499	0.6
67.64482	0.5
70.08223	2.4
71.01385	4.6
83.01447	0.7
85.02944	1.3
86.87413	0.5
87.00873	0.6
89.02458	4.6
89.18739	0.6
95.01414	0.7
97.32294	0.5
98.20617	0.6
101.02435	3.3
113.02449	1.7
119.03489	2.2
119.05047	1.3
121.02985	0.9
123.00919	0.8
125.02455	1.3
133.02930	0.6
145.02939	1.0
150.49107	0.6
161.04539	1.1
163.03987	2.0
169.01456	1.1
175.03978	0.5
177.01823	0.5
179.05731	0.9
199.03909	0.9
204.00696	0.8
207.13908	1.2
211.04051	0.7
216.00929	0.7
223.17024	3.7
225.05576	1.0
225.39948	0.5
227.03503	2.0
229.01422	1.0
230.99313	1.7
232.00085	0.8
239.03609	0.6
241.05122	0.6
243.03009	0.7
244.00128	1.0
245.00854	0.8
251.03322	0.7
252.04201	0.6
253.01378	0.8
253.05148	1.3
255.02869	1.0
255.06685	0.9
257.00879	0.8
257.04419	0.6
267.02979	1.4
267.16089	5.3
268.03799	0.8
268.16263	0.7
269.00946	3.8
269.04321	1.5
270.01678	1.0
270.98999	0.9
271.02499	1.1
271.36017	0.6
273.00400	0.8
281.01123	0.7
281.04486	0.9
282.01846	1.5
283.02551	0.9
283.06058	1.8
283.99612	2.1
285.00500	1.1
285.04095	3.3
295.02515	1.5
296.03268	1.0
297.00406	3.8
297.04019	2.3
297.07648	1.3
298.01196	3.8
299.01987	1.3
299.05554	1.1
299.99100	1.5
300.99890	1.0
303.01538	1.2
309.00610	0.8
310.04742	0.7
311.02026	6.7
312.02667	3.2
323.01953	0.7
323.13458	0.6
323.99203	5.0
324.02664	1.1
324.99857	4.0
325.03571	14.1
325.07281	0.9
326.03946	2.1
327.01483	2.1
327.05240	2.7
333.02747	0.8
339.01559	1.4
340.02161	0.7
341.06470	0.7
352.99704	0.4
353.03012	19.9
353.06812	2.3
354.03503	2.3
369.06192	1.8
397.05664	30.7
398.06003	3.7
429.08282	100.0
430.08615	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.045
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68641	1.3
59.01387	13.9
64.20131	1.1
70.94758	2.7
71.01394	7.1
72.95737	1.1
78.95917	1.3
79.95740	1.5
85.02948	1.7
89.02457	5.6
95.01435	1.6
96.96027	75.2
101.02438	5.2
104.07703	1.2
107.01385	3.6
113.02438	3.9
117.76402	1.2
119.03513	4.2
123.00907	12.7
125.02456	19.3
128.03552	2.6
139.00381	4.3
141.01988	1.5
141.68704	1.2
143.04636	2.8
151.00383	16.5
158.86398	1.4
165.86649	1.3
168.00694	2.3
169.01451	42.4
170.01695	1.4
203.20232	1.5
211.02528	14.1
271.04572	8.5
272.05234	1.0
272.08929	1.7
306.07529	2.0
331.06738	100.0
332.07095	7.9
382.51874	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	100.0
59.41455	21.7
70.07711	81.4
71.81618	26.1
85.02965	29.6
98.20616	29.3
104.75358	25.7
104.83124	23.0
111.29823	23.2
114.81670	23.2
149.56111	25.3
229.01233	33.7
299.99332	63.1
427.06604	42.4
427.27551	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	427.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	87.7
61.98854	10.9
69.17776	12.8
70.55309	12.1
117.03696	11.2
121.64055	14.6
129.55518	12.9
143.88237	12.4
221.15486	100.0
295.13141	13.3
299.98975	20.8
300.99689	28.3
353.80725	12.9
427.27811	18.4
427.85538	16.5
428.06915	13.9
448.93521	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	429.0344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87405	0.4
51.01381	0.5
70.11127	1.7
78.95913	6.2
79.95740	2.8
96.96022	100.0
96.96913	6.8
97.02976	0.5
125.02462	21.5
126.02731	0.7
168.00668	0.7
169.01440	47.1
170.01799	2.0
177.02080	0.5
191.80566	0.4
211.02495	1.1
224.17293	0.5
271.04514	2.2
300.99982	0.6
307.51254	0.5
331.06723	12.8
332.07053	1.1
334.26877	0.6
378.82965	0.5
382.80139	0.5
429.10577	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1977
Annotation	Sphaeranthanolide
Peak:m/z	Relative Intensity
55.01882	1.4
59.01384	45.1
61.98821	1.7
71.01391	11.1
72.99322	1.0
73.02945	4.4
83.01401	4.2
85.02956	6.6
87.00893	1.1
93.03462	30.1
94.03840	0.9
95.01394	2.8
99.00924	1.3
101.02454	10.0
113.02464	4.5
121.02956	16.0
123.00872	0.9
131.39444	0.7
136.01666	5.0
137.02455	71.5
138.02774	2.6
152.62843	0.8
159.02991	0.8
161.04591	1.0
169.01439	2.0
205.12340	3.2
256.13651	0.8
314.08640	0.8
403.38986	0.9
427.19757	100.0
428.20160	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	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78568	0.8
58.00602	1.3
59.01384	100.0
60.01717	1.1
61.98835	1.5
69.57487	5.0
69.71440	0.8
71.01391	26.0
72.99311	1.7
73.02955	0.9
84.02125	1.0
85.02962	3.7
87.00890	1.4
89.02455	38.9
94.02963	1.0
95.01398	2.3
96.96025	1.0
98.20655	1.1
101.02454	9.8
113.02461	9.8
119.03515	14.9
125.02457	2.3
131.03487	1.3
143.03496	3.7
143.43153	1.0
147.04524	4.3
149.04562	2.0
161.04654	4.4
169.01450	3.2
171.08189	1.3
179.05650	9.5
187.11295	18.3
188.11592	1.6
205.12393	1.4
222.36821	1.1
227.69092	1.2
229.14532	1.2
275.64191	1.0
427.16452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36393	0.9
57.03415	1.1
58.00609	2.1
59.01385	100.0
61.98828	1.5
69.56905	6.3
71.01388	25.3
72.99326	2.0
73.02972	0.9
83.01376	1.3
85.02953	4.5
87.00863	1.0
89.02454	37.9
95.01408	1.9
96.96041	2.3
98.20627	1.9
101.02454	11.8
113.02465	10.5
119.03508	13.3
125.02478	2.0
131.03525	2.5
137.02483	1.8
138.01929	1.2
143.03554	3.4
147.04536	4.0
149.04573	1.0
155.08267	1.4
161.04553	3.2
169.01424	3.1
179.05621	9.5
187.11302	17.9
229.14377	1.2
427.15994	2.6
441.64551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	22.0
62.11646	2.5
63.85448	2.3
70.50129	6.5
70.50506	3.9
71.01399	6.5
73.36864	2.1
74.06251	2.1
75.84317	2.7
85.02962	2.8
89.02441	3.3
101.02441	4.3
113.02466	4.5
125.02498	4.3
145.02956	6.2
151.10950	2.2
161.04631	2.5
169.01390	3.2
208.77777	2.3
211.13388	3.5
229.14478	100.0
230.14940	5.2
383.04126	10.4
427.04129	2.2
427.17761	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	427.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68726	0.5
59.01386	100.0
60.01721	0.6
61.63948	0.6
61.98840	1.6
65.28983	0.6
69.24002	5.8
69.87145	0.5
71.01402	2.1
73.02944	1.0
85.02958	0.9
89.02470	0.6
93.03460	3.4
93.73790	0.6
101.02469	2.0
106.11395	0.6
113.02463	0.6
116.76591	0.6
121.02970	40.5
122.03298	1.5
123.00894	0.9
124.01672	1.0
125.02437	2.8
136.01688	0.8
137.02467	8.0
149.99678	0.7
154.86377	0.6
167.01973	0.6
168.00670	2.2
169.01416	1.1
188.90680	0.6
221.15414	1.0
265.14362	2.8
327.22165	0.7
344.30286	0.6
427.12869	1.5
427.19913	10.6
428.20346	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40768	0.4
55.68398	0.4
57.58722	0.4
59.01387	100.0
60.01724	1.2
61.98844	2.2
65.46675	0.4
71.01395	3.1
71.57435	0.4
73.02969	1.1
73.72050	0.4
82.80723	0.4
82.95405	0.6
83.01385	0.6
83.05058	0.4
83.35511	0.4
85.02959	1.3
85.22950	0.5
89.02463	1.0
93.03459	3.6
95.01386	0.6
99.04554	1.2
101.02473	2.0
113.02478	1.4
119.05017	0.6
121.02971	43.4
122.03312	1.4
123.00906	0.7
123.04513	0.6
124.01716	0.6
125.02461	2.6
137.02466	8.9
145.03073	0.6
149.99652	0.8
150.37938	0.5
168.00684	1.6
169.01447	1.9
203.14493	1.1
205.12389	1.1
221.15442	2.2
230.14862	0.5
265.14481	7.3
266.14832	0.6
296.11902	0.5
366.36920	0.5
427.12399	1.2
427.19995	12.0
428.20313	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33744	0.6
58.00581	1.0
59.01387	18.5
64.57613	0.6
67.01875	2.1
69.03447	0.8
71.01392	10.4
71.56607	0.8
72.02155	0.6
72.99306	1.7
73.02954	0.8
74.63882	0.7
78.95881	0.6
79.01897	2.8
83.01367	1.2
85.02946	2.6
89.02467	3.1
93.07074	1.0
94.02962	1.4
95.01385	4.0
95.05032	7.1
97.02941	1.6
97.03931	0.7
99.00887	1.0
99.08146	1.4
101.02438	4.2
107.01401	10.3
109.02941	0.7
109.06579	2.4
111.00877	2.2
111.08118	1.2
113.02460	3.0
113.06093	8.3
119.03467	0.7
123.00900	33.8
125.02460	35.6
126.02826	1.2
127.07660	14.6
136.98795	1.1
137.02429	1.4
137.06087	9.3
138.02000	1.0
138.06404	0.7
139.00394	10.2
139.03981	1.0
140.01109	2.1
141.01929	4.6
147.04581	0.9
150.00996	0.7
150.99202	1.2
151.00381	24.7
151.01588	1.4
152.00716	1.5
153.01895	1.9
153.25478	0.6
155.07158	4.0
161.04532	0.7
167.03432	2.3
167.06982	0.7
168.00655	3.6
169.01437	63.3
170.01732	2.1
181.01407	0.9
183.02950	0.9
193.01355	1.4
211.02501	10.8
229.14400	1.0
235.02251	0.7
253.03485	2.3
313.05634	5.1
331.06625	1.3
367.10300	2.1
391.19693	6.9
427.12341	100.0
428.12735	12.3
428.17883	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.125
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	23.8
61.98840	0.9
67.01917	0.5
69.03466	1.5
69.41406	0.9
69.41824	1.8
71.01379	3.1
72.99339	0.3
73.02958	0.8
77.67951	0.4
79.01915	0.8
81.03453	0.7
82.28453	0.3
82.95421	0.6
85.02958	1.2
89.02451	4.1
93.03474	0.4
95.01390	0.6
97.02974	2.0
98.20620	0.5
99.04560	0.4
101.02473	2.2
107.01417	0.5
110.00094	0.4
111.00909	0.7
113.02424	1.8
113.06149	0.5
119.03511	1.1
119.05010	0.6
121.02977	5.8
123.00903	1.3
124.01669	1.0
125.02459	57.0
126.02815	1.7
135.04541	3.9
137.02509	0.7
137.99626	0.4
138.01956	0.5
139.00381	4.4
143.03537	0.7
147.04544	0.4
151.00441	0.5
153.01939	4.7
154.02727	4.6
161.04596	1.1
163.04068	0.6
167.15987	0.4
168.00642	0.9
168.04288	1.2
169.01439	100.0
169.05067	7.6
170.01782	3.7
170.80980	0.3
177.05568	0.3
179.05644	0.7
193.08702	0.6
199.29840	0.4
205.12265	2.2
221.08311	0.8
221.15480	0.8
231.47267	0.3
253.76964	0.3
265.14471	2.7
270.99661	0.3
328.60648	0.3
331.06696	0.7
344.10071	0.3
427.16238	5.6
427.20496	0.5
428.16483	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04554	1.4
55.00690	1.3
59.01385	12.8
59.98980	1.3
60.01719	1.7
61.01802	1.5
61.98837	100.0
69.49910	10.5
71.01394	1.7
87.68344	1.6
92.58273	1.7
109.48563	1.7
112.57184	1.6
112.72248	1.4
121.02956	1.9
157.85310	1.6
221.60153	1.7
239.66373	1.7
270.98563	3.8
286.00766	2.9
291.83130	1.3
297.97540	2.3
298.97931	11.1
299.98215	2.6
300.98343	3.5
307.19543	1.6
309.34305	1.7
312.99976	3.3
314.00232	17.4
315.00342	2.5
316.00681	8.5
328.02124	1.9
329.02618	19.5
330.02750	2.6
331.03009	8.2
344.04959	37.5
345.05243	4.9
346.05478	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	426.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28418	1.5
59.01385	9.3
60.75051	1.4
61.01791	1.9
61.98837	100.0
64.40137	1.7
69.32003	12.9
77.23685	1.4
93.02518	1.4
107.76508	1.5
110.29823	1.4
127.01482	1.4
129.88203	1.4
150.76810	1.4
301.99924	2.1
370.60413	1.9
370.78085	1.8
385.05032	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	427.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
59.01114	0.8
59.01388	16.1
61.08493	0.6
67.01897	1.9
69.03455	1.2
71.01384	9.6
71.56939	0.6
71.57348	0.7
72.99302	1.9
73.02946	1.2
74.62977	0.6
79.01890	2.1
81.65601	0.6
83.01389	1.6
85.02947	2.4
88.50700	0.6
89.02446	2.1
93.07101	1.7
94.03004	1.1
95.01400	4.4
95.05051	7.6
97.02956	1.5
98.08140	0.6
101.02449	4.2
102.62762	0.7
102.86544	0.6
107.01400	9.3
108.02234	0.9
109.02977	0.9
109.06590	1.7
111.00895	2.2
111.08172	0.8
113.02428	2.5
113.06100	7.2
119.03483	1.1
121.03063	0.7
123.00903	32.0
123.08196	1.1
124.01771	0.7
125.02462	34.9
125.06093	1.0
126.02781	1.8
127.00364	0.9
127.06815	1.0
127.07668	11.6
136.98752	0.7
137.02455	1.3
137.06119	9.4
139.00397	8.8
139.04034	1.4
140.01123	2.4
141.01930	3.1
143.03502	0.9
151.00386	27.7
152.00748	1.1
153.01918	2.1
155.07147	5.3
165.01918	0.9
167.03488	1.6
167.07149	0.9
168.00606	2.6
169.01447	61.9
170.01793	2.4
181.01433	0.9
183.03055	1.3
193.01347	2.4
211.02504	12.2
223.02554	0.9
229.14464	1.3
253.03557	1.9
313.05661	6.6
331.06558	1.6
367.10678	1.5
391.19748	5.8
427.12363	100.0
428.12823	12.3
428.17932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.182
Annotation	(+)-Cyanocycline A
Peak:m/z	Relative Intensity
55.01880	1.2
55.75603	0.5
57.03447	1.4
58.69705	0.5
59.01389	10.0
61.98822	1.7
62.91298	0.5
65.13181	0.5
68.99822	0.7
71.01388	10.7
71.34043	1.0
72.99302	0.5
73.02955	4.9
75.00875	0.6
83.01402	3.2
83.81109	0.5
85.02965	6.9
87.00894	1.3
89.02452	1.6
93.03468	31.8
94.03814	1.1
95.01398	2.8
96.99315	0.7
97.02985	0.8
97.19083	0.6
99.00877	1.7
101.02458	10.4
108.02200	1.6
111.00893	0.6
113.02448	4.5
119.03516	0.5
121.02979	2.1
125.02418	0.5
125.39266	0.6
136.01671	3.4
137.02454	75.5
138.02731	3.0
143.10768	1.5
161.02391	0.8
163.03993	0.8
179.03523	0.8
219.13701	0.6
221.04530	1.2
281.06668	1.1
299.98947	1.4
300.99643	0.9
375.66547	0.5
407.06027	0.7
425.18188	100.0
426.18546	11.7
448.37848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1824
Annotation	Abscisic acid glucose ester
Peak:m/z	Relative Intensity
57.03457	2.7
57.99649	1.7
59.01376	19.5
61.98829	5.4
63.49982	1.6
66.78925	1.6
71.01083	1.4
71.01395	12.9
71.33096	4.2
73.02934	3.4
77.40532	1.7
78.95912	2.1
79.03147	1.9
80.07360	1.7
82.91432	1.6
83.05009	2.4
85.02953	4.0
87.00837	2.9
89.02442	3.4
89.12098	1.8
95.01399	2.1
95.05029	2.1
96.96010	4.4
97.02959	6.5
99.45597	1.8
101.02443	11.6
107.05021	3.5
108.05806	5.0
109.02924	5.6
109.06618	2.2
111.04520	5.9
113.02456	5.8
113.06094	5.3
117.03455	2.9
119.05040	100.0
119.08690	1.8
120.05361	3.2
121.06590	2.3
122.03767	5.3
123.00895	4.1
123.04527	3.2
123.08147	5.8
125.02496	12.5
125.06100	12.1
127.92545	1.7
133.02962	5.1
135.04541	3.0
136.05310	7.2
137.02440	2.4
137.06071	4.0
137.92357	1.8
138.06895	9.3
139.07642	21.3
145.02965	5.9
148.05240	4.3
149.06111	3.0
151.07666	44.5
152.04787	4.9
152.08455	18.4
153.09273	9.2
161.02448	13.1
161.04601	3.5
161.09715	2.7
163.04027	86.3
163.07649	6.5
164.04332	4.7
169.01453	16.0
185.09747	2.5
191.03481	4.1
201.01906	2.5
201.12854	18.0
203.10922	8.7
204.11575	26.4
219.13905	42.2
220.14307	2.5
235.02553	3.3
243.13881	2.1
245.11748	5.6
263.12878	61.0
264.13159	4.6
271.22333	2.3
275.01956	2.8
287.12906	6.1
299.99176	6.1
300.99924	10.4
305.13977	3.7
307.08438	2.4
365.21814	2.4
425.07007	4.5
425.14499	17.0
425.19861	3.2
426.14844	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	425.1452
Annotation	Hymenoside V
Peak:m/z	Relative Intensity
52.01485	0.4
54.99601	0.4
57.03443	0.6
59.01386	4.6
61.98834	1.1
70.84840	0.8
70.85189	0.6
71.01392	5.1
71.05035	1.1
72.99305	0.5
73.02950	1.5
83.01395	0.8
83.05022	0.6
85.02953	2.6
87.00909	0.5
89.02473	0.8
95.01395	0.6
99.00891	1.0
101.02460	3.1
101.06096	1.6
105.03471	0.5
113.02450	1.5
117.03481	1.3
119.03491	0.5
119.04999	0.9
123.04498	0.5
125.02468	2.0
132.02216	2.4
133.02971	37.1
134.03270	0.9
135.04544	8.3
137.02477	1.1
145.03009	1.4
161.02458	100.0
162.02820	4.6
163.04024	0.9
166.22620	0.4
169.01456	1.9
179.03461	2.8
190.43779	0.4
191.03600	0.8
191.28020	0.4
263.05658	1.5
300.99838	1.5
313.05252	0.4
365.21945	0.5
425.14581	62.2
426.14893	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	425.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.1
60.20398	0.3
61.98809	0.5
69.03471	0.3
70.30052	0.9
71.01382	1.1
72.00903	0.4
73.02945	0.5
78.95910	0.3
83.01396	0.6
85.02937	0.4
85.28150	0.2
89.02470	0.5
90.81554	0.3
96.96028	1.8
100.00422	0.8
101.02477	0.9
111.00856	0.3
113.02485	0.8
120.99670	100.0
121.99975	1.1
125.02447	2.2
144.03064	1.0
147.04552	0.5
161.02423	0.3
161.04517	0.3
169.01482	2.3
177.02000	0.4
190.02628	0.3
191.03523	1.1
193.01418	0.6
194.23877	0.2
200.73753	0.3
203.12910	1.8
205.67206	0.3
206.02240	0.8
209.08194	0.3
219.03040	0.6
233.00838	0.4
233.57289	0.3
234.01755	1.1
235.02484	1.0
262.01215	6.4
263.01962	5.6
264.02301	0.5
275.02005	0.5
293.15976	0.6
299.99234	0.4
301.00031	1.2
302.00229	0.3
332.79834	0.3
368.79449	0.3
425.07318	7.1
425.15021	3.3
425.20282	0.4
426.07727	0.8
426.15463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22483	0.8
59.01381	8.1
61.98851	2.2
67.01919	2.7
69.03468	1.6
71.01391	5.3
71.57290	1.7
72.19862	0.9
72.99328	1.0
73.02969	2.1
77.54675	0.8
78.95941	1.2
81.03483	1.4
83.01435	1.5
83.18431	0.9
84.95721	1.0
89.02488	3.1
95.01432	2.8
96.87778	0.9
96.96062	0.9
97.02998	2.5
101.02414	1.8
104.74357	0.9
105.03517	1.2
105.28072	1.0
107.01408	5.4
109.03010	1.3
111.00903	5.5
113.02467	2.3
119.03510	0.9
119.05080	1.5
123.00896	8.7
125.01551	2.0
125.02461	36.7
126.02847	1.7
127.16049	0.9
133.03000	2.8
135.04520	1.1
137.02499	1.5
137.59906	0.9
139.00403	2.2
141.01976	0.8
145.02982	1.6
147.04575	1.5
149.02484	1.3
151.00412	3.6
155.57210	0.9
161.02460	17.8
162.03348	1.5
163.04031	2.2
165.05606	1.4
166.99860	0.9
168.00710	1.3
169.01434	41.9
170.01865	2.6
173.02513	1.6
174.03258	1.0
175.04054	1.0
176.01202	1.0
177.02040	2.6
177.05777	0.9
189.01942	4.4
190.02715	2.2
191.03522	12.2
192.00793	1.0
192.04024	1.7
193.01389	6.2
201.02103	1.6
203.03586	2.0
203.07253	0.8
205.01425	44.4
206.02199	34.6
207.02821	2.6
211.02611	2.6
217.01570	1.7
219.02986	5.2
229.01503	2.8
231.03018	1.5
235.02516	7.7
245.00993	1.3
247.02602	0.9
248.03374	2.1
249.04121	2.2
257.01147	2.0
262.01968	0.8
262.04831	31.5
263.02377	5.7
263.05603	100.0
264.05969	5.6
273.00504	1.4
275.02042	8.5
276.02563	1.2
283.99561	1.1
299.99051	4.2
300.80585	1.0
300.99899	23.9
302.00397	3.2
313.05862	1.8
340.03531	2.1
387.12933	1.1
389.18472	1.5
403.05063	1.3
425.11255	87.9
425.55011	2.7
426.11359	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	425.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74250	1.0
59.01383	13.8
67.01570	1.7
67.01901	22.6
69.03468	2.1
69.85226	6.0
71.01390	9.1
73.02954	1.0
79.01895	3.4
80.18446	1.1
83.01373	1.9
85.02940	2.1
89.02462	1.7
95.01392	3.8
97.02953	4.6
98.19910	2.3
99.00883	1.3
101.02433	3.3
107.01402	12.9
109.02943	2.4
111.00893	48.6
112.01188	1.2
113.02446	4.0
123.00895	38.9
124.01733	1.6
125.02455	59.7
126.02765	1.3
136.98790	1.4
137.02385	1.1
139.00360	9.7
139.03935	1.1
140.01163	2.6
141.01897	5.6
149.02397	1.4
151.00381	29.4
153.01933	4.7
165.01979	1.6
167.03436	1.5
168.00673	4.7
169.01442	72.4
170.01753	2.2
173.02489	1.6
185.02560	1.0
191.03380	1.2
193.01448	3.4
205.31976	1.0
207.02960	1.3
211.02470	12.7
253.03517	3.4
299.99146	1.4
300.99966	4.8
313.05667	15.7
314.05954	1.6
348.54501	1.3
349.03851	1.3
425.07266	100.0
425.55060	1.4
426.07501	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	425.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.4
61.98845	0.7
67.01894	0.8
67.70788	0.2
69.03460	1.7
71.01389	1.0
71.56988	0.3
73.02954	0.2
78.95918	0.3
79.01891	0.4
81.03472	0.6
83.01415	0.3
85.02957	0.6
89.02459	0.5
93.03490	0.2
94.03049	0.2
95.01411	0.6
97.02969	2.0
101.02429	0.6
107.01401	0.6
108.02208	1.1
110.00141	0.6
111.00901	2.4
113.02478	0.6
117.03496	0.5
119.05006	0.2
120.99640	0.2
123.00903	0.6
123.04565	0.3
124.01686	0.9
125.02464	62.4
126.02809	2.3
127.98327	0.2
135.04567	0.3
137.02415	0.4
137.99611	1.0
145.02975	0.7
152.01164	0.3
152.05975	0.2
153.01959	9.7
154.02443	0.2
161.02438	0.9
161.04648	0.3
163.04114	0.5
166.02760	0.2
167.03494	0.5
168.00638	0.6
168.04318	4.3
169.01447	100.0
170.01797	3.8
173.02518	0.3
174.28700	0.2
177.01944	0.4
189.21709	0.2
191.03488	0.6
263.01987	0.4
275.02066	0.4
291.01517	0.3
299.99130	0.4
300.99884	1.4
302.00415	0.3
307.08279	0.3
330.22626	0.2
362.08600	0.2
425.01492	0.5
425.06937	0.5
425.19226	0.3
425.54877	0.4
426.18002	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
62.55585	0.4
67.01897	9.3
69.03471	1.7
70.28971	0.3
71.01395	0.4
71.02436	0.6
79.01900	0.7
81.03477	1.2
83.01408	0.4
95.01417	1.2
97.02941	2.3
107.01390	0.7
111.00892	15.4
123.00879	2.5
124.01694	4.9
125.02460	74.2
126.02806	2.7
137.02399	0.4
139.00432	1.1
147.04570	0.4
161.02379	0.5
165.01894	0.3
166.99915	1.7
167.03484	0.5
168.00667	8.6
168.05208	0.4
169.01439	100.0
170.01762	3.4
173.02441	0.5
191.03514	1.2
191.23958	0.4
193.01428	0.5
211.02464	2.9
219.02960	0.5
223.02423	0.5
253.03468	0.4
262.01382	0.5
263.01984	1.8
299.99146	0.4
300.99976	1.3
313.05695	6.9
314.05942	0.6
425.07297	40.8
426.07553	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	425.073
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82165	0.6
59.01394	5.4
61.98834	1.2
63.54875	0.4
69.89081	2.3
71.01387	2.7
73.82426	0.5
78.05891	0.4
78.95906	2.5
83.01403	0.5
85.02943	0.7
87.00871	0.7
89.02450	2.2
91.05481	0.5
95.01396	0.6
96.77922	0.4
96.96011	0.7
96.96970	3.6
98.19987	0.9
101.02444	1.5
107.01395	1.4
107.20599	0.5
109.02933	0.7
111.00886	1.6
113.02461	0.9
117.03496	0.6
119.03492	2.1
119.05058	0.7
120.99670	7.2
123.00898	0.7
124.01607	0.7
125.02460	5.5
132.84624	0.5
135.04555	0.7
138.03246	1.0
145.02954	1.5
147.04485	1.4
148.01608	0.5
149.02437	1.5
150.03201	0.8
151.00360	0.5
151.04027	0.7
153.01898	0.5
158.92493	0.5
161.02417	0.7
162.03247	1.7
163.00392	1.3
163.03966	2.0
164.01138	6.5
165.01682	0.6
169.01442	7.2
170.01787	0.7
173.02477	0.6
175.03981	1.6
177.01932	1.5
189.01918	0.8
190.02754	2.9
190.99931	2.8
191.03488	4.2
192.00668	3.3
193.01440	5.4
201.01906	1.2
205.01503	1.3
206.02228	9.2
207.02943	2.5
217.01439	1.9
218.02197	0.6
218.99380	5.3
219.02852	2.7
221.00902	0.9
231.03157	0.6
233.00890	1.1
234.01709	12.0
234.04062	0.7
235.02440	10.3
244.00040	0.8
245.00957	3.9
247.02654	0.6
261.00424	2.3
262.01193	53.7
263.01953	57.1
264.02325	3.0
275.01831	0.8
300.99918	2.5
302.00229	0.6
313.05655	1.4
321.15683	0.6
365.18146	0.8
407.06839	0.5
425.07260	100.0
426.07574	9.5
431.83206	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01731	1.4
71.01379	5.9
78.95925	1.1
79.95755	2.6
85.02975	3.0
89.02441	1.3
95.28103	1.0
96.96027	2.0
98.20635	3.7
101.02470	3.6
113.02460	2.2
114.21568	1.1
136.01701	1.9
151.04030	3.0
161.04536	3.0
195.21033	1.0
212.81705	1.1
242.32326	1.1
254.71384	1.2
269.98160	1.2
297.97406	1.6
299.99182	6.0
313.00024	3.5
316.22900	1.1
328.02362	3.7
343.04648	5.0
363.23880	8.9
423.10757	4.2
424.10910	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	424.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.5
57.39534	0.6
59.01387	100.0
60.01720	11.4
61.01815	1.8
61.98838	31.4
64.90514	0.5
71.01382	5.5
72.01736	0.7
73.02960	1.9
78.95932	1.2
79.95769	0.6
85.02951	2.3
86.03322	0.7
89.02472	0.8
95.10686	0.7
96.96018	0.7
98.26487	0.5
99.00875	0.7
101.02444	4.4
113.02500	1.3
114.02796	0.7
122.06097	1.0
141.45857	0.5
161.02461	0.6
161.04553	3.1
162.04926	1.1
167.03503	1.0
169.01448	0.7
192.00539	0.6
216.00720	0.8
242.99355	1.0
244.00047	0.8
251.18706	0.5
257.01047	0.6
262.04843	2.2
270.98767	1.7
273.00494	0.8
274.01349	1.2
275.01898	0.9
283.02283	0.7
283.85745	0.5
283.99759	0.6
286.00717	0.7
295.41910	0.6
297.97665	1.1
298.98087	4.0
299.99161	25.8
300.99747	2.5
301.03610	6.4
312.99918	1.9
314.00253	6.5
327.01431	1.3
328.02328	2.4
329.02640	5.7
343.04724	2.4
344.05020	8.1
352.00885	0.7
363.23886	0.8
364.24249	9.1
365.24472	1.1
380.03949	0.6
406.09534	1.0
408.06998	3.6
424.10464	38.5
425.05624	0.9
425.10730	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	424.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.8
59.01384	100.0
60.01722	12.2
61.01803	1.9
61.98834	27.8
70.35470	0.6
71.01392	6.1
72.01754	1.5
73.02953	1.5
73.29028	0.6
79.10111	0.6
85.02956	2.4
89.02455	1.2
93.94250	0.7
95.01419	0.6
98.19780	1.2
98.86172	0.7
99.00876	1.2
101.02452	4.7
102.02816	1.3
107.65437	0.6
113.02469	1.9
115.59332	0.7
122.06150	1.8
123.36522	0.6
161.04530	3.3
162.04893	0.9
169.01387	0.7
200.01128	0.8
209.62480	0.7
216.00638	1.2
218.02307	0.7
255.02980	1.2
262.04709	1.1
270.98807	2.5
273.00488	1.3
274.01147	1.5
275.02194	1.3
283.02271	1.2
284.03342	0.9
286.00516	0.7
297.97546	1.9
298.98032	4.5
299.99121	32.0
300.99759	3.3
301.03561	8.1
313.00018	1.9
314.00259	5.4
327.01559	1.1
328.02225	1.4
329.02490	6.1
330.02829	0.8
333.33411	0.6
343.04590	2.1
344.04965	9.8
352.00931	2.4
363.23941	1.2
364.24292	9.4
378.09741	0.9
380.04227	1.7
380.11807	0.8
406.09491	1.2
408.07211	4.8
409.07831	1.2
424.10400	49.4
425.05627	0.9
425.10828	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2182
Annotation	Walsurin
Peak:m/z	Relative Intensity
59.01374	4.8
65.95799	1.4
71.55719	1.8
79.01882	1.7
83.01376	1.5
85.02953	2.8
88.23914	1.3
107.05029	1.6
125.02442	1.5
138.03165	2.5
149.02440	1.4
149.06111	1.9
151.00331	2.4
151.04004	6.1
152.04750	5.0
163.08295	1.4
166.02745	2.8
167.03535	20.8
173.06091	5.9
177.01927	2.6
179.03496	10.0
180.04300	44.3
181.04652	3.7
203.07019	1.5
212.07065	2.0
221.08127	6.7
232.29349	1.5
245.08189	4.7
246.08578	1.5
249.14964	5.5
257.08179	14.4
265.08688	1.5
283.09747	21.5
284.10526	21.6
285.07629	4.4
285.10855	2.0
309.15091	3.5
311.12900	12.3
327.16089	13.7
353.13907	2.1
354.15024	1.9
363.19904	1.6
405.21051	1.8
423.21802	100.0
424.22058	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	423.2238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	4.9
57.03442	4.0
58.00593	1.6
59.01385	38.6
61.98832	2.8
62.16401	0.9
69.03426	0.9
71.01389	71.8
71.57548	1.2
71.57948	1.0
72.99325	2.4
73.02953	37.5
75.00874	1.9
81.03474	1.5
83.01395	14.3
85.02959	33.5
86.00093	2.6
87.00877	4.5
89.02449	14.8
94.78011	0.8
95.01416	5.1
95.61830	1.0
96.96014	0.9
97.02934	2.6
99.00881	14.9
101.02451	66.8
102.02785	1.5
111.00883	2.2
113.02459	26.7
114.02818	1.1
115.04000	2.7
117.03483	1.3
119.03504	1.6
119.05040	4.6
125.02477	5.0
129.01932	2.3
129.12872	1.2
131.03520	3.7
133.02963	2.6
135.04442	1.3
143.03485	2.5
145.02972	3.4
147.04520	1.0
149.04543	2.2
158.29311	1.0
159.03018	5.8
161.02539	6.7
161.04561	28.3
161.05902	2.0
169.01450	1.4
188.87407	0.9
193.78693	1.0
205.03516	1.5
233.06708	3.8
291.18152	93.4
292.18436	6.6
298.01083	1.1
299.99158	7.5
327.98511	5.1
343.00931	5.5
423.07135	2.5
423.16946	5.5
423.22342	100.0
424.10706	1.8
424.17548	1.3
424.22775	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	423.224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15462	0.5
55.01883	6.6
57.03455	4.3
58.00592	1.3
59.01384	39.9
69.03456	1.1
69.41125	4.6
71.01389	61.3
71.13878	0.6
72.01720	1.0
72.99313	2.4
73.02954	35.3
74.03290	0.6
75.00871	1.1
78.22715	0.6
79.51250	0.5
81.03492	0.8
83.01398	13.2
85.02956	32.4
86.00102	2.5
87.00876	3.6
89.02452	10.8
95.01405	3.4
97.02966	2.5
98.20590	1.1
99.00890	12.6
100.01156	0.7
101.02453	67.4
111.00888	2.0
113.02457	23.5
115.04033	2.8
125.02464	4.4
127.11312	1.2
129.01950	2.2
129.12865	1.0
131.03546	3.3
132.81068	0.6
133.01625	0.6
143.03514	2.3
159.03014	4.5
161.04567	26.9
162.04880	0.7
162.22470	0.6
167.03487	1.4
191.05554	1.0
194.58342	0.6
199.13298	0.6
233.06676	4.2
291.18146	92.7
292.18512	6.8
293.08792	0.9
299.99139	0.9
335.17480	0.6
423.22357	100.0
424.22708	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	423.2179
Annotation	Walsurin
Peak:m/z	Relative Intensity
52.67978	1.1
56.39078	1.1
59.01373	3.4
71.56863	2.0
77.65630	1.1
81.61880	1.2
83.01398	3.0
93.03450	5.8
96.96011	2.5
104.67838	1.2
107.04989	1.3
110.37239	1.4
119.05039	6.5
138.03229	2.5
151.04053	1.7
163.04018	7.5
165.01968	2.4
166.02731	14.6
177.05583	2.4
179.03502	3.5
180.04276	6.2
189.01909	6.6
191.03510	18.2
193.05128	7.7
205.05054	64.5
206.05360	3.5
217.05084	5.9
219.06662	2.3
233.08179	5.1
234.09039	3.3
247.09810	3.0
248.10533	3.0
273.18582	1.7
286.08438	5.8
286.11499	1.4
297.07700	1.6
299.09344	8.9
299.99091	2.7
311.09265	39.6
312.09729	3.0
317.17538	4.3
339.12439	3.8
353.13702	1.5
354.14648	7.4
423.21783	100.0
423.32751	6.8
424.22043	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	423.1893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01713	1.2
70.08858	2.3
71.01395	1.8
85.02990	0.6
89.02422	0.7
99.00887	0.5
101.02485	1.8
113.02489	0.9
134.84229	0.6
139.98820	0.5
147.97952	0.5
161.04578	0.7
177.66641	0.5
253.67181	0.6
303.14523	4.4
333.71426	0.5
387.16806	1.4
423.18271	1.6
442.14990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64604	2.3
54.13332	2.4
59.01383	35.2
61.98843	3.6
69.64870	13.7
71.01396	15.2
72.99326	2.9
73.02945	2.9
75.00862	7.0
78.26274	2.1
78.95899	3.5
83.01378	3.6
85.02968	3.7
87.33271	2.1
89.02464	7.9
93.03459	16.1
96.96005	3.1
101.02454	9.1
108.02185	41.7
111.00906	4.1
113.02445	3.9
119.05116	2.1
121.02946	4.6
123.00950	3.5
123.04538	29.8
125.02449	2.3
137.02472	14.4
145.02914	4.0
146.03731	4.1
146.61961	2.5
152.01170	39.8
156.00668	5.9
161.02467	3.8
161.04585	3.8
163.00378	2.4
165.05711	3.4
166.99905	2.6
167.03510	100.0
168.03815	3.0
174.03215	5.2
179.05469	2.8
261.04156	5.0
261.11313	4.6
363.20401	3.2
423.09094	11.4
423.17880	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	423.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21057	1.0
59.01385	100.0
60.01700	1.2
69.28091	7.7
71.01392	1.3
83.18228	0.8
91.43110	0.8
98.19846	1.7
100.13947	1.0
101.02434	0.9
109.02992	6.2
113.02406	1.0
121.90759	0.8
122.03719	3.0
125.02437	1.7
131.59470	0.8
153.01938	7.4
161.04605	1.1
165.33090	0.8
192.89629	0.9
193.27228	0.8
297.06140	3.3
303.14346	5.8
423.09369	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	423.0937
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
59.01381	9.2
61.98824	0.9
66.60473	0.7
67.01897	0.7
69.03432	0.6
70.49419	0.7
71.01386	8.3
71.19413	1.5
73.02935	1.7
73.64606	0.6
77.69321	0.7
83.01395	1.3
85.02960	2.5
89.02452	1.4
91.01888	1.6
95.01403	1.7
97.02957	3.0
99.00880	1.1
101.02459	3.3
104.22634	0.8
107.01399	1.3
108.02186	2.1
109.02960	73.9
110.03284	1.9
111.00887	3.3
113.02467	2.9
121.03035	0.7
122.03752	24.8
123.00909	2.1
124.01627	1.2
124.04072	0.9
125.02460	8.5
135.04610	0.9
141.49181	0.8
143.03490	0.8
150.03273	0.8
152.01161	1.7
153.01952	100.0
154.02258	4.2
161.04593	1.0
163.03972	1.3
165.05573	4.0
169.01414	2.9
177.05655	1.2
195.02989	1.9
207.02994	0.9
225.04105	3.5
237.03975	1.0
261.00436	0.8
297.06168	38.4
298.06494	2.6
306.99066	0.7
379.10532	3.4
423.09348	67.4
424.09616	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	423.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88635	0.5
59.01377	3.2
69.33346	0.9
69.33746	3.5
71.01392	4.6
71.05010	0.7
73.02957	1.4
76.84645	0.5
80.71374	0.4
83.01402	0.8
85.02957	2.4
89.02422	1.2
101.02447	2.2
112.73470	0.5
113.02480	1.6
115.04033	4.7
117.03479	20.4
118.03790	0.8
119.05042	36.4
120.05392	1.9
125.02437	1.0
133.06575	1.1
145.02968	100.0
146.03311	5.2
159.03029	0.6
159.04533	0.6
161.04697	0.9
161.06094	2.9
163.04027	44.9
163.44235	0.5
164.04411	1.8
175.03960	0.6
177.05606	1.2
179.10768	1.2
189.05563	1.1
195.04611	0.5
205.05119	2.0
217.05109	1.8
223.09842	0.6
235.06056	1.2
246.01634	3.4
260.03253	0.7
261.04034	7.5
262.04321	0.5
265.07217	1.7
277.09262	3.7
299.99356	0.8
307.08316	6.1
308.08810	0.8
379.14008	22.4
380.14310	2.5
423.08447	1.8
423.13702	7.4
424.13855	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	12.3
61.98825	0.9
71.01395	5.4
71.56643	1.0
76.31940	0.6
78.71920	0.7
78.95917	33.6
79.95747	1.9
85.02963	1.7
87.00851	0.7
87.54581	0.7
87.76949	0.6
89.02460	5.6
96.96027	100.0
96.96977	66.7
101.02451	3.8
113.02458	2.3
119.03538	1.5
123.39265	0.6
125.02485	1.0
128.03424	0.7
131.76691	0.7
145.02939	4.0
149.02432	0.9
150.03294	0.9
164.03508	0.9
165.05586	2.2
169.01483	1.0
188.79121	0.7
195.06641	1.2
225.11302	2.4
259.99683	0.7
261.13443	0.8
325.09384	2.0
387.16666	1.1
423.18201	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	423.0936
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
51.52740	0.8
52.28027	0.7
56.07939	0.8
57.03440	0.8
59.01384	10.0
61.98807	0.8
63.79471	0.8
65.00339	1.0
67.01905	1.0
68.48610	0.7
69.03470	1.1
69.33277	5.7
71.01389	8.3
73.02946	2.0
78.95900	0.9
79.01926	1.1
83.01396	1.4
85.02971	4.5
87.00882	1.4
89.02451	2.0
95.01397	3.1
96.96019	1.6
96.96978	1.7
99.00890	2.1
101.02467	4.3
107.01394	5.7
108.02194	5.6
109.02971	12.6
110.03337	0.9
110.56790	0.7
111.00897	3.0
113.02459	3.1
121.03029	0.8
122.03753	1.0
123.00899	11.4
124.01720	1.3
125.02463	29.3
126.02783	1.6
133.03024	1.6
135.04448	0.9
136.98808	1.5
139.00426	4.2
140.01169	3.3
141.01971	1.5
145.02882	1.0
149.02400	1.2
150.03180	0.7
151.00372	10.1
153.01862	0.8
161.02467	3.1
161.04633	1.4
163.00293	0.8
163.03961	1.1
165.01935	1.3
165.05667	1.2
168.00682	3.2
169.01437	37.9
170.01762	1.7
173.02457	2.3
174.03255	9.7
175.04016	0.9
177.01874	0.8
179.03560	1.0
189.01930	3.3
190.02739	5.5
191.03471	2.5
193.01482	2.5
195.06625	1.3
201.01997	1.4
202.02737	25.5
203.03308	2.9
205.01456	1.0
207.03024	1.3
217.01523	2.6
217.05054	22.7
218.05475	1.8
229.01482	4.5
229.98677	1.1
230.85609	0.7
233.04428	0.9
238.29913	0.7
245.00938	6.5
246.01720	14.5
247.02383	3.3
259.02560	1.1
260.03229	3.6
261.04056	14.6
261.13422	0.8
273.00348	1.0
282.93381	0.8
300.99832	1.6
313.05716	6.9
314.06296	0.8
363.16672	4.6
387.09259	1.1
408.07068	2.9
423.09406	100.0
424.09732	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	423.0935
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
56.79856	0.4
57.03424	0.5
59.01389	4.4
61.74170	0.4
65.00325	0.7
67.01897	0.9
68.99834	0.5
69.03462	0.8
69.52595	2.4
71.01390	6.0
72.99312	1.0
73.02946	1.1
78.95894	0.8
79.01912	1.0
79.64299	0.4
81.03454	0.9
83.01385	1.2
85.02960	4.2
86.61951	0.4
87.00900	0.8
89.02461	1.4
95.01405	2.5
96.96023	0.9
96.96956	2.6
97.02943	1.2
98.95610	0.5
99.00887	0.9
99.92590	0.4
101.02470	2.9
107.00731	0.5
107.01402	6.9
108.02193	5.9
109.02231	0.9
109.02971	16.5
110.03317	0.6
110.53374	0.3
111.00906	3.1
113.02477	2.6
115.92069	2.0
116.92857	0.5
123.00010	0.8
123.00903	15.6
124.01720	1.4
125.02461	35.1
126.02808	1.2
127.00381	1.2
128.26056	0.5
131.47867	0.4
133.02936	0.5
136.98810	2.0
137.02525	0.7
139.00398	5.5
140.01175	3.9
141.01930	1.5
151.00398	10.1
151.03973	0.7
152.00958	0.5
153.01956	1.0
161.04582	0.6
166.99832	0.6
168.00674	3.7
169.01442	47.6
170.01787	1.9
201.11299	1.5
211.02486	0.9
241.03571	0.4
247.02557	0.6
297.06335	0.7
302.41296	0.4
313.05704	8.7
314.06140	0.9
361.05945	1.0
363.16620	0.7
423.09375	100.0
424.09702	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	422.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01721	1.0
69.03471	0.5
69.31205	2.2
69.31637	2.0
69.32294	0.5
69.42046	0.5
71.01392	6.8
73.02959	1.3
83.01398	0.9
85.02979	1.9
87.00896	1.2
89.02447	4.5
97.02986	0.5
99.00932	0.6
101.02453	5.7
113.02483	2.3
119.03526	1.3
122.30787	0.5
143.03577	0.8
161.04564	2.6
179.05655	2.2
261.13373	0.5
272.76410	0.5
304.86993	0.5
328.43094	0.5
332.97034	0.5
363.20599	0.6
423.18744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0032
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.5
70.93233	0.6
75.93518	0.7
99.20732	0.6
167.00940	0.7
257.00760	0.9
269.98090	9.6
270.98203	1.2
285.00388	10.5
297.97565	36.2
298.97952	2.5
312.99927	59.4
314.00299	5.9
328.02267	60.2
329.02679	5.5
343.04608	100.0
344.04910	12.0
403.15390	0.7
423.00327	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	421.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.7
59.01385	100.0
60.01722	1.5
69.63468	2.8
71.01398	3.9
73.02957	1.9
83.01398	0.5
85.02975	1.6
89.02448	0.8
97.26327	0.4
99.00883	0.5
100.04304	0.5
101.02440	3.7
113.02482	1.6
161.04594	3.1
183.02505	0.4
223.13454	0.6
261.40656	0.4
301.00177	0.6
308.24063	0.4
361.22348	5.8
361.26266	0.6
362.22711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84256	2.7
55.50589	2.3
59.01384	100.0
60.01711	3.7
69.90377	12.9
71.01399	4.5
73.02955	4.5
78.48771	2.5
80.60055	2.7
85.02911	2.4
93.27309	2.8
97.18717	2.9
101.02456	5.9
105.73867	2.9
125.02425	3.3
161.04555	6.4
195.63501	2.4
230.88930	2.4
247.05122	2.7
285.00314	3.1
297.97430	4.9
312.99988	14.4
328.02298	10.7
343.04633	24.0
363.23871	7.5
375.18137	2.8
422.08923	15.7
435.69769	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2083
Annotation	(3R)-1-Octen-3-yl-beta-primeveroside
Peak:m/z	Relative Intensity
55.01878	8.1
57.03453	4.8
58.00606	1.5
59.01384	42.0
60.01752	0.8
61.98833	2.4
63.24492	0.6
67.38338	0.6
69.03472	3.3
71.01388	100.0
71.05023	1.4
71.56658	0.7
71.57027	1.1
72.01722	1.6
72.99310	2.4
73.02952	44.8
75.00874	2.4
79.01921	0.7
81.03468	1.7
83.01394	16.3
85.02958	49.7
86.03325	1.3
87.00895	3.9
89.02450	24.1
93.03468	1.1
95.01378	8.5
97.02961	5.6
99.00888	21.3
99.01530	1.1
99.04499	1.3
101.02453	70.9
102.02821	1.6
111.00887	2.0
113.02463	37.5
115.04040	2.3
119.03528	1.4
125.02453	9.9
127.11314	2.4
129.01953	1.7
131.03523	6.3
137.02419	3.4
143.03505	4.9
145.02937	1.1
149.04591	4.3
159.02986	7.1
161.04562	44.2
162.04927	1.7
191.05644	3.0
200.79039	0.7
205.03447	1.1
213.09251	2.1
233.06602	8.8
239.22296	0.7
257.08267	6.5
273.00381	1.7
281.70255	0.7
289.16583	69.1
290.16943	5.2
292.29718	0.9
293.08795	3.2
382.24722	0.8
421.05585	2.5
421.20776	94.1
422.21213	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	421.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
70.89177	2.4
95.02391	0.9
111.70190	1.1
126.24741	0.9
134.14903	0.9
157.35010	1.1
163.11310	100.0
164.11612	5.7
164.51978	1.1
305.98572	1.2
312.00635	1.1
339.23337	65.0
340.23618	9.8
379.21426	1.4
421.22437	2.9
425.55359	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32071	0.4
55.69534	0.4
59.01385	100.0
60.01727	1.0
69.63980	2.2
71.01392	2.4
73.02959	1.1
80.93579	0.4
83.01387	0.6
85.02962	2.1
95.58682	0.4
98.19908	0.6
99.00915	0.6
101.02448	3.5
110.73009	0.4
113.02482	1.5
114.21574	0.4
125.02483	0.6
136.37648	0.4
150.88933	0.5
159.02939	0.6
161.04585	1.8
163.04068	0.7
169.01512	1.4
172.70993	0.4
185.55257	0.4
206.72760	0.4
257.15848	0.4
341.10513	0.6
349.78906	0.4
361.22363	5.4
362.23010	0.6
421.06125	1.1
422.08899	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35400	6.4
54.96900	5.4
58.18384	5.8
59.01389	100.0
61.98827	19.2
62.03947	6.2
63.52290	4.9
69.36253	6.6
71.01388	33.2
72.99331	8.2
73.02972	11.2
73.66888	5.5
75.38675	5.3
85.02967	14.2
89.02461	22.2
89.32829	5.4
101.02454	23.0
107.01407	9.0
107.05054	23.4
109.02965	18.2
113.02459	16.7
123.00883	16.5
125.02493	34.1
137.02449	16.6
138.03252	11.3
139.00470	6.9
139.04018	10.3
144.83696	6.8
145.94339	5.7
151.00462	8.0
161.04623	8.8
163.03996	10.0
168.00760	7.2
169.01465	40.6
195.06595	13.8
215.07173	25.5
273.02899	6.3
283.09982	7.3
313.05682	13.3
364.67126	6.0
406.16415	17.2
421.11176	68.2
421.19226	23.7
422.11526	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	421.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84411	0.7
55.01865	2.3
57.03443	0.9
58.00592	3.0
59.01383	91.9
60.01691	1.2
61.98833	1.3
62.36352	1.0
69.03474	1.3
71.01385	71.1
71.57963	1.3
72.01699	1.4
72.99303	3.7
73.02946	17.5
74.03271	0.9
75.00878	1.8
75.32547	0.8
81.03452	1.5
83.01371	4.4
83.65601	0.8
85.02473	0.8
85.02960	15.6
87.00861	3.4
89.02451	100.0
90.02766	1.8
93.03483	4.2
95.01397	4.0
97.02946	2.7
99.00889	16.7
101.02448	46.7
102.02786	1.2
107.01468	0.8
108.02220	1.1
113.01733	1.5
113.02464	24.5
114.02798	1.2
115.03974	1.1
119.02667	1.6
119.03507	25.2
119.04832	1.0
120.03833	0.9
123.00867	0.8
125.02487	5.6
131.03502	15.2
131.68050	0.8
137.02441	8.0
138.01973	17.7
139.02333	8.9
143.03526	5.4
149.04565	31.8
150.04893	2.0
157.94209	0.8
161.04544	8.2
169.01434	1.3
176.32372	0.8
179.05630	11.9
191.05629	8.7
208.03807	1.0
223.13370	1.7
233.06641	3.6
251.07709	2.8
254.22678	0.8
258.01620	1.6
258.10010	1.1
259.02429	4.7
259.10870	1.2
285.00232	1.0
289.16721	5.2
421.20712	49.8
422.21252	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	421.1639
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19730	1.1
55.01891	0.9
59.01390	10.8
61.98824	2.0
64.05593	1.1
65.87743	1.1
66.91225	1.0
67.01884	1.9
69.33399	6.7
71.01392	8.1
73.02943	3.2
78.76318	1.0
79.01941	1.1
80.50196	1.0
83.01407	1.5
85.02949	4.2
85.57057	1.0
89.02444	1.3
95.01380	1.9
101.02440	4.7
107.01371	3.7
109.02883	1.0
111.00896	2.9
113.02441	3.3
117.03490	1.5
119.48371	1.2
120.99657	2.9
123.00895	19.2
125.02457	18.6
127.00420	1.0
129.05089	1.0
136.98792	1.7
139.00371	8.4
140.01155	4.7
141.01913	1.8
145.02957	6.6
151.00395	10.7
159.83652	1.1
161.04443	1.2
168.00653	3.7
169.01433	22.1
169.82150	1.2
179.10825	3.3
223.09851	2.0
313.05643	1.9
353.43619	1.0
385.11267	3.1
385.56528	1.1
421.11426	100.0
422.11722	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1638
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
52.53321	4.1
52.62044	4.7
59.01380	12.9
59.15611	5.6
69.79411	23.6
71.01398	4.7
89.02467	8.4
94.84318	4.4
96.40951	4.8
111.66192	4.1
122.02494	5.0
125.02444	19.2
139.04048	6.1
161.02455	4.3
169.01439	29.6
218.35248	5.0
275.02029	9.1
300.99899	17.7
332.97223	9.8
421.16278	100.0
422.16653	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	421.1554
Annotation	Ochrindole D
Peak:m/z	Relative Intensity
52.69217	9.1
59.01375	24.1
59.77618	7.8
70.06857	23.0
70.07262	18.8
90.00938	8.7
95.39925	8.1
96.96043	16.5
100.23604	8.6
107.48190	8.8
139.39467	8.2
141.85577	9.9
169.58669	8.2
218.13939	10.4
300.99951	100.0
312.55505	8.8
421.15674	41.6
421.30988	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	421.1636
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
59.01386	27.6
61.98822	1.2
67.01885	2.1
69.56644	6.2
71.01393	11.2
72.82482	0.9
72.99315	1.4
73.02963	2.6
77.91660	0.8
79.01906	1.2
83.01395	3.3
85.02967	4.5
87.00887	1.9
89.02479	5.4
93.03498	1.0
95.01405	4.1
97.03015	1.3
99.00946	1.3
101.02464	6.9
107.01404	11.7
107.05031	1.0
109.02970	3.2
111.00881	5.1
113.02473	4.7
114.05612	5.1
117.03480	2.6
119.03549	1.1
119.05045	1.2
120.99675	2.6
121.02982	3.1
123.00902	24.7
123.04541	3.0
124.01759	1.6
125.01530	1.7
125.02458	32.3
126.02828	1.0
127.00396	2.4
136.98792	4.3
137.02496	1.1
138.01962	2.8
139.00391	11.0
140.01192	7.6
141.01947	3.1
145.03004	3.1
151.00391	15.4
153.01971	5.5
161.02454	1.0
161.04582	1.3
162.79689	1.1
163.03951	2.1
165.05533	1.2
168.00633	6.3
169.01447	46.9
170.01785	2.0
177.09195	1.2
188.10841	5.5
205.05090	1.1
216.10307	2.8
223.06261	0.9
260.09317	4.8
293.81329	0.9
295.82449	1.0
297.06226	3.2
313.05753	3.4
360.11444	1.5
361.12048	1.0
361.18707	3.8
375.13721	2.6
385.11423	11.4
386.11740	1.4
403.27335	1.2
406.15408	3.1
421.11707	100.0
421.17184	3.2
422.11816	10.7
426.01035	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	14.2
60.31889	0.4
61.98812	0.6
71.01395	3.1
71.57861	0.8
71.58221	0.6
73.02971	0.7
74.43985	0.4
78.20629	0.5
81.03469	1.9
83.01410	1.0
85.02979	1.3
85.69398	0.5
89.02499	0.8
93.03489	0.9
95.01405	3.4
96.96022	0.7
97.02956	1.3
101.02434	2.6
107.01401	3.3
107.05087	0.9
108.02238	0.6
109.02991	1.2
110.12273	0.5
111.04495	0.9
113.02483	1.3
119.05130	0.6
121.02963	2.3
123.00911	3.3
123.04547	0.7
124.01677	1.1
125.02463	9.1
135.04591	0.7
137.02475	2.3
141.01939	1.0
149.02440	1.3
149.99609	69.3
151.00412	12.3
152.00809	0.5
161.04655	0.9
163.04008	0.7
165.01959	1.8
167.24834	0.6
169.01419	2.8
177.01979	0.8
193.01433	1.3
195.88959	0.6
215.24277	0.5
276.92715	0.5
291.28372	0.5
300.99817	0.7
313.05670	100.0
314.06003	8.6
331.06644	0.8
345.11011	0.8
361.22385	0.8
421.06805	5.8
421.11853	1.0
421.28424	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.1
57.03439	0.7
59.01116	0.2
59.01390	3.8
65.00331	0.4
67.01899	1.2
68.99821	0.4
69.03459	0.5
69.04677	0.2
69.58938	0.5
69.59362	0.8
71.01383	5.9
72.99300	0.9
73.02947	2.5
79.01881	1.3
81.03441	0.2
82.00613	0.4
83.01386	2.0
85.02965	3.8
87.00877	0.7
89.02474	0.2
91.41669	0.2
95.01408	2.7
96.99342	0.3
97.02960	0.8
99.00888	0.9
101.02459	3.9
107.01407	4.5
107.05016	0.3
109.02943	0.4
110.00084	0.4
111.00898	3.2
113.02454	1.9
114.17440	0.2
120.99657	0.3
123.00900	19.1
123.04598	0.3
124.01755	1.7
125.02461	18.8
126.02786	0.7
127.00378	1.1
136.98825	2.2
137.02448	0.3
138.03261	0.2
138.99309	0.4
139.00386	7.2
140.01178	4.8
141.01976	2.3
145.02975	0.3
149.99600	0.9
151.00385	13.0
151.03976	0.5
152.00696	0.4
153.01926	0.7
154.99825	0.3
161.04581	0.3
163.04050	0.4
166.99896	0.3
168.00642	4.1
169.01437	22.0
170.01758	0.8
179.03496	0.3
179.80838	0.2
181.05122	0.4
193.05095	0.2
209.04474	0.3
253.03575	0.4
295.14963	0.2
312.61801	0.2
313.05637	1.5
377.04877	0.2
421.11432	100.0
422.11813	13.0
422.17618	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28075	0.2
55.01882	0.5
55.73239	0.3
57.03440	0.5
58.76072	0.3
59.01381	2.9
67.01892	0.7
69.03463	0.8
71.01389	5.5
71.56528	0.4
72.99314	0.5
73.02949	1.8
79.01880	1.5
81.03466	0.3
82.00600	0.4
83.01382	1.3
85.02959	2.9
87.00880	0.6
89.02465	2.8
95.01392	2.1
97.02967	1.1
99.00912	0.6
101.02461	3.3
101.88776	0.3
103.61546	0.3
107.01405	7.8
107.05038	34.7
108.05365	1.0
109.02961	0.3
110.00110	0.3
111.00899	2.5
112.61917	0.3
113.02460	2.5
123.00900	13.4
124.01714	1.8
125.02456	41.1
126.02792	1.0
127.00385	1.0
136.98851	1.4
137.02475	1.3
138.01949	1.1
138.03091	0.5
139.00378	5.3
139.03998	0.5
140.01193	3.1
141.01968	2.4
145.02953	0.4
151.00377	10.4
151.03992	0.7
152.00780	0.5
153.01926	0.8
154.99829	0.3
160.79205	0.3
161.04565	0.8
163.04004	0.6
168.00667	3.5
169.01437	50.7
170.01817	1.9
179.03548	0.3
181.05099	0.5
195.02956	0.5
195.06653	0.8
205.01483	0.3
211.02437	1.0
217.84497	0.2
223.02380	0.6
241.03563	1.0
253.03578	1.1
297.06393	0.3
305.16010	1.0
311.31848	0.3
313.05667	13.6
314.06067	1.0
361.13208	0.4
391.14127	0.7
403.27011	0.5
406.16351	1.1
421.11423	100.0
422.11792	11.2
422.17654	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	71.3
69.28400	1.5
69.47034	10.2
71.01392	16.1
72.99295	2.1
73.02953	2.4
78.91862	2.3
78.95911	37.4
79.95746	2.6
80.91705	1.7
85.02951	2.2
87.00901	2.7
87.03931	1.4
88.98795	2.1
89.02450	15.4
93.03446	3.4
96.96008	100.0
96.96963	50.0
100.24062	1.4
101.02435	8.1
111.00887	5.1
113.02457	5.8
114.88899	1.4
119.03522	5.9
123.04556	2.0
125.02440	3.6
128.03539	2.1
137.02441	3.3
143.04593	4.5
143.07178	2.3
154.98128	1.8
155.98822	2.4
169.01483	2.6
179.05736	2.4
217.01463	3.5
245.00987	4.2
247.02461	2.4
257.09125	1.6
259.02838	2.0
272.08926	2.4
323.13495	93.2
324.13809	7.0
329.12347	2.1
421.09540	2.3
421.16614	3.1
422.15775	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	421.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06015	0.2
55.01883	1.3
57.03448	0.4
59.01391	3.7
65.00322	0.3
67.01894	1.0
68.99842	0.3
69.03450	0.4
69.58141	1.7
70.31914	0.3
71.01391	5.1
72.99323	0.9
73.02949	2.4
79.01895	1.3
81.03457	0.4
81.45045	0.2
82.00588	0.3
83.01381	2.0
85.02957	2.9
85.13121	0.3
87.00883	0.6
95.01398	3.0
97.02956	1.0
98.20620	0.5
99.00881	0.8
101.02454	3.8
102.14307	0.2
107.00719	0.4
107.01402	5.1
107.05055	0.3
110.00080	0.6
111.00897	3.2
113.02457	2.0
116.29002	0.3
123.00900	18.9
124.01746	2.6
125.02462	20.2
126.02797	0.7
127.00379	1.0
136.98824	1.7
139.00398	7.9
140.01173	5.3
141.01982	2.2
149.99562	0.6
151.00381	12.5
151.04007	0.4
152.00731	0.7
153.01910	0.7
154.99878	0.5
161.04599	0.4
163.04070	0.3
165.01849	0.3
168.00659	3.9
169.01440	20.0
170.01782	0.6
179.03528	0.3
181.05067	0.6
223.02434	0.4
253.03636	0.4
313.05658	1.8
327.96661	0.3
343.44324	0.3
421.11432	100.0
422.11780	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	421.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	20.8
60.99312	14.9
61.98849	0.9
71.01398	3.5
71.56162	1.1
72.99355	0.9
73.02998	1.1
73.10056	0.8
74.74235	0.7
78.91892	1.4
78.95913	10.6
80.08375	0.9
81.22327	0.9
85.02998	1.0
87.00926	1.1
88.98820	100.0
89.02469	6.5
89.99184	1.0
92.10291	0.8
93.03457	1.8
96.96027	22.4
96.96975	14.9
101.02460	2.9
103.04101	1.1
111.00919	1.6
113.02436	1.8
115.04063	1.0
119.03541	2.4
120.99644	1.3
125.02483	5.6
128.03609	1.0
129.26151	1.1
137.02420	2.6
149.60646	0.9
154.72006	1.0
155.98869	1.1
169.01445	13.4
179.05704	0.9
191.03435	0.8
217.01492	1.8
245.00978	1.8
247.02457	1.7
300.99896	2.4
303.01453	1.5
323.13538	25.1
324.14105	1.8
327.86780	0.9
331.06827	3.9
396.40793	0.9
421.03821	1.8
421.17139	2.0
422.04480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.5
61.17474	0.2
61.98821	0.3
65.27511	0.2
66.40454	0.2
69.02444	0.2
70.87538	0.7
71.34127	0.3
76.17318	0.2
89.02471	0.3
93.73462	0.3
96.30958	0.3
101.02481	0.3
106.85484	0.2
113.02433	0.4
117.31956	0.2
125.02420	0.5
169.01439	1.1
288.04929	0.3
307.01309	0.6
310.00333	0.3
320.02014	2.9
321.02780	5.8
322.03259	0.5
322.09052	0.5
322.58887	0.3
333.99963	8.2
334.03439	0.6
335.00497	0.7
337.99518	0.4
346.03711	0.5
348.01459	0.7
348.05151	0.6
349.02298	16.6
350.02713	2.2
358.03531	1.5
359.04343	0.8
360.05258	2.1
362.03192	0.8
363.03375	0.3
364.04892	0.4
374.07016	0.5
376.04578	3.1
377.01328	0.6
377.05621	1.4
390.06186	0.5
402.06165	7.1
403.06390	1.0
404.03998	0.3
405.04858	2.2
406.05713	0.3
418.05649	0.3
420.07275	100.0
421.07574	14.7
421.13327	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.0418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86331	2.0
57.03441	2.6
59.01114	2.1
59.01386	33.3
69.54075	13.4
71.01389	15.2
72.99332	2.1
73.02954	2.1
73.95705	1.9
75.00885	2.5
78.95911	4.7
80.58778	1.9
83.01379	4.4
85.02946	7.5
85.84628	2.2
87.00870	3.1
89.02438	10.3
93.03466	4.3
95.01369	2.5
96.96061	4.0
96.96984	2.4
101.02478	9.6
111.00889	5.3
111.04500	1.9
113.02460	5.5
115.00370	2.5
117.03450	2.9
119.03467	5.4
120.99675	3.5
123.00906	3.7
125.02444	4.6
128.14627	1.9
133.02959	2.5
133.22807	2.3
137.02434	4.5
143.03517	1.9
145.02966	5.3
147.04538	4.5
149.02481	4.4
150.03229	4.9
151.04031	2.1
159.04541	5.8
161.02409	5.3
161.04575	4.5
163.00397	3.8
163.03949	2.5
165.01939	3.5
165.05603	4.1
169.01456	5.7
173.02425	5.6
174.01744	14.9
175.04048	9.0
177.01942	4.6
187.04005	8.2
189.01967	12.9
190.02725	8.3
191.03499	4.9
195.06616	2.7
199.09708	3.8
201.01941	6.1
202.02637	2.3
203.03491	18.5
205.01373	3.7
213.01965	7.1
215.03473	4.9
217.01466	24.3
218.02124	8.4
219.02933	5.8
229.01476	5.1
230.02231	2.7
231.02957	29.6
232.03094	2.8
234.01649	2.2
235.02513	3.3
241.01424	2.5
243.02901	2.7
244.00066	3.0
245.00934	52.5
246.01646	27.4
247.02477	30.2
257.00833	3.2
258.01804	4.2
259.02502	60.5
260.02731	5.1
261.00348	4.8
269.00830	2.6
273.00455	18.0
274.01053	6.5
275.01974	16.3
278.00659	4.2
285.00534	3.2
287.01959	6.5
289.00253	4.1
289.03531	9.2
290.00662	7.0
291.01511	46.5
292.01807	3.2
300.99945	15.7
301.03125	2.9
302.00256	2.7
303.01495	91.1
304.01773	8.1
305.03052	5.1
317.03018	5.7
328.99316	2.4
331.00989	10.2
331.04688	4.6
333.02631	4.0
343.00790	2.7
349.05695	2.1
357.02481	4.8
359.04047	8.2
361.01971	16.7
361.14893	5.1
361.18875	3.0
375.03564	7.5
377.04962	3.7
385.01962	5.6
393.04776	5.0
403.03027	25.3
421.04083	100.0
421.16833	7.1
421.21344	3.4
422.04556	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	419.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	15.4
61.98840	1.3
66.27770	1.0
71.01406	4.6
71.57452	1.0
73.02940	1.1
78.96010	0.9
79.14050	1.0
79.58331	1.0
83.01385	2.2
85.02950	1.6
89.02467	3.0
93.03476	2.8
109.02966	1.4
111.00892	6.3
113.02457	2.6
119.03487	1.0
119.05066	1.0
120.99686	1.1
123.00902	1.9
124.01666	6.4
125.02444	2.8
132.04643	1.1
137.02463	3.4
138.03200	1.9
139.04060	7.2
145.02943	1.6
174.03232	2.8
175.02531	1.2
175.03996	3.3
177.05548	1.8
177.09236	2.8
188.04659	1.1
189.05591	1.6
191.07138	1.9
193.05156	1.2
197.11868	1.1
201.10855	1.0
204.04240	1.0
205.05124	2.0
205.08798	1.1
206.05885	2.4
221.08220	4.4
229.72507	1.1
237.07771	1.2
250.08676	1.9
256.06213	4.5
257.04022	1.4
257.06436	8.5
257.11816	9.5
258.12234	1.2
267.89600	1.0
273.07581	1.4
280.03845	2.4
281.04538	4.1
281.09341	7.9
282.05167	1.1
282.09784	1.4
283.06137	2.6
284.06500	1.4
285.04150	1.1
285.07504	1.8
295.05969	1.4
297.04007	2.0
298.05075	5.5
299.05859	1.1
299.09839	1.6
300.06479	2.2
301.07178	4.1
307.08350	1.2
311.05618	2.6
312.06448	5.0
313.07214	16.2
313.10547	1.9
314.07660	2.8
315.08752	2.1
325.07065	1.0
326.08023	3.9
327.05191	1.6
327.08737	12.5
328.05832	2.2
328.09354	2.0
329.06635	10.1
329.10535	3.2
341.10266	1.8
343.08237	12.2
343.11905	1.2
344.08981	20.3
345.09509	1.7
358.10626	42.8
359.11337	69.1
360.11703	8.0
373.12943	59.4
374.13382	7.5
376.04663	1.2
389.12317	16.2
389.16327	1.5
390.12720	1.8
404.14777	68.3
405.15149	9.8
419.17163	100.0
420.07635	1.6
420.17581	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	419.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.6
57.03448	0.6
59.01112	0.6
59.01389	7.3
61.15641	0.5
67.01883	1.2
69.03463	0.6
70.36221	1.3
71.01391	6.3
72.99301	0.8
73.02964	2.5
78.95911	2.1
79.01892	1.0
83.01407	1.2
85.02971	3.3
87.00887	1.0
89.02454	1.9
95.01413	2.3
96.96027	1.0
96.96984	4.9
97.02943	1.0
99.00885	1.5
101.02470	5.4
107.01408	4.7
109.02994	0.7
111.00909	2.1
113.02464	3.0
119.03534	0.8
123.00904	15.0
124.01704	1.0
125.02463	21.3
126.02879	0.5
127.00341	0.6
137.02419	0.6
139.00389	5.6
140.01193	2.9
141.01968	1.6
146.32738	0.4
151.00391	12.9
153.01921	0.8
155.72327	0.4
167.03456	0.5
168.00674	3.5
169.01443	27.7
170.01709	1.1
177.09297	0.5
211.02496	2.5
234.31410	0.5
239.09372	0.5
253.03741	0.6
271.04636	2.1
300.99954	2.0
313.05624	3.0
419.11978	100.0
420.12332	10.2
429.22943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1197
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.62947	0.5
55.01886	1.0
57.03448	0.8
59.01386	11.9
67.01907	0.9
69.03459	0.9
69.91605	1.7
69.92018	0.7
71.01389	7.0
72.99349	0.7
73.02966	2.2
78.95923	0.5
79.01905	1.2
83.01391	2.0
85.02966	3.8
87.00908	0.8
89.02457	2.2
95.01392	2.5
96.96008	0.9
96.96960	1.1
97.02975	0.7
99.00881	1.2
101.02455	5.4
102.02767	0.4
103.14103	0.5
105.05586	1.1
107.01400	5.0
111.00841	2.3
113.02443	2.5
119.03592	0.4
123.00899	16.5
124.01726	0.7
125.02457	19.6
126.02775	1.1
127.00340	0.6
132.39952	0.4
136.98848	1.7
137.02483	0.7
139.00392	5.5
140.01187	2.9
141.01910	2.5
151.00380	13.6
153.01942	0.7
161.04536	1.1
165.01953	0.5
168.00674	3.1
169.01439	27.2
170.01756	1.6
209.00989	0.4
211.02432	2.0
247.17734	0.4
253.03574	1.1
271.04608	2.8
300.99936	1.1
313.05746	3.0
419.11975	100.0
420.12286	10.2
420.17633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1199
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.26458	0.4
55.01855	0.6
57.03441	0.7
59.01388	23.2
61.23479	0.5
66.33614	0.4
67.01891	1.2
69.03439	0.6
71.01392	6.5
71.57257	0.7
72.99305	0.9
73.02944	2.0
75.00853	0.5
78.91883	2.7
78.95914	1.3
79.01904	1.0
79.72678	0.4
83.01389	1.7
85.02963	2.9
87.00880	1.5
87.55605	0.4
89.02447	2.7
95.01398	2.6
96.96010	0.7
96.96983	1.3
99.00877	0.6
101.02463	4.7
105.05591	0.6
107.01402	4.5
110.00108	0.6
111.00865	1.6
113.02445	2.6
119.03508	1.6
122.03745	1.3
123.00901	17.8
124.01703	1.1
125.02458	19.1
127.00375	0.5
128.03514	2.3
130.14279	0.5
131.23511	0.5
136.98839	1.3
137.02448	0.7
139.00391	5.7
140.01199	2.9
141.01924	2.1
143.04590	2.2
145.03011	0.5
151.00378	12.8
151.04094	0.5
152.00795	0.9
153.01929	0.4
161.04601	0.6
165.01987	0.6
168.00621	2.9
169.01439	26.0
170.01756	0.9
181.05171	0.5
182.05890	3.1
191.03496	0.5
197.08214	8.1
211.02478	2.1
216.00735	0.6
223.02542	0.6
224.68690	0.5
239.05739	0.5
254.07820	0.7
271.04749	2.7
272.08911	1.5
273.00339	0.6
300.99948	2.9
302.14127	0.5
306.07773	2.6
313.05695	2.4
419.11954	100.0
420.12286	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	419.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06851	0.8
57.03458	1.2
59.01107	1.5
59.01388	19.4
70.88537	2.0
71.01386	6.4
71.05024	2.0
72.22913	0.9
73.02940	1.7
78.95937	1.0
79.84174	0.8
85.02959	2.7
89.02456	3.8
89.85220	0.9
95.01398	1.1
96.96011	5.8
96.96959	1.9
101.02462	4.9
113.02470	1.8
119.03555	1.6
123.00847	1.0
125.02470	7.6
132.04558	1.7
137.06084	4.9
138.13013	0.8
143.07141	9.5
145.02937	1.1
147.03308	1.8
149.02484	0.8
149.06018	1.0
151.00392	2.0
156.30855	0.9
160.04080	1.4
161.04552	2.0
161.58405	0.7
166.02715	3.5
167.03081	1.7
168.03160	1.0
169.03259	1.9
174.05711	1.0
181.05081	2.9
182.05553	1.5
183.05498	2.0
183.06956	2.2
183.84033	0.8
185.06107	0.9
190.28143	1.0
192.06636	1.4
195.06879	1.4
197.02866	1.4
197.08449	1.1
197.11848	2.3
198.05623	25.3
199.06023	2.5
210.09235	4.5
212.10783	3.5
212.38876	0.8
213.03055	3.0
213.05521	1.0
225.06699	1.3
226.05110	11.4
227.05991	9.0
228.05405	51.6
228.10237	3.7
229.05757	3.3
236.05647	2.4
237.06509	1.1
238.07399	2.7
239.07619	0.9
240.06609	2.5
240.09016	1.6
241.07413	2.9
242.07056	2.0
243.07768	34.8
244.08072	2.2
253.09892	7.2
255.08932	3.9
255.11403	4.6
256.09802	17.1
257.04840	1.0
259.06262	4.1
265.06152	2.8
266.06940	21.8
266.09659	1.6
269.04593	1.6
269.09320	0.9
271.10889	9.2
273.00336	1.0
281.09283	16.0
287.05646	4.8
293.12531	2.7
295.35870	1.0
298.06009	1.4
299.10394	100.0
300.10703	8.7
332.96841	1.1
343.09369	13.1
344.09747	1.5
347.17300	2.3
359.17014	1.6
377.18243	2.9
387.08362	7.6
388.08701	1.3
419.02118	1.6
419.09647	4.9
419.18866	9.1
420.11020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	5.6
59.85461	0.3
61.98825	0.4
63.02393	1.4
65.00328	9.7
69.46056	1.6
69.46484	1.1
71.01388	2.0
72.56194	0.3
73.02955	0.4
74.33164	0.3
83.01398	4.4
85.02970	0.9
89.02454	1.1
95.01427	0.4
96.06441	0.3
101.02460	0.9
107.01404	16.8
108.01636	0.4
108.02253	0.5
108.99281	0.4
109.02967	4.5
113.02460	1.0
119.05038	0.8
121.02933	0.4
125.02454	4.8
130.66031	0.3
133.03000	0.5
134.03769	1.1
135.04535	67.3
136.04865	3.1
139.04048	0.4
145.02992	1.0
151.00381	100.0
152.00717	4.2
153.01936	3.1
161.02472	0.7
163.03989	1.2
163.62486	0.3
164.01071	0.3
165.01884	0.5
169.01401	1.7
177.01985	0.5
180.40514	0.4
215.15279	0.4
247.53046	0.3
269.04456	0.5
285.04037	1.4
286.04379	0.9
287.05634	86.6
288.05994	7.7
419.09738	9.7
419.17941	0.6
419.22836	1.2
420.10339	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0989
Annotation	Aromadendrin 4'-xyloside
Peak:m/z	Relative Intensity
57.03440	0.5
59.01387	5.4
60.39839	0.3
61.98835	0.4
63.02402	1.1
65.00327	9.2
67.10561	0.4
69.45256	2.8
71.01375	1.7
73.02950	0.6
83.01390	4.4
85.02959	0.6
89.02447	1.4
101.02454	1.3
107.01402	16.5
108.02235	0.7
109.02959	4.8
113.02421	0.9
119.05023	0.4
121.02998	0.5
125.02448	4.5
128.02705	0.4
133.02953	0.6
134.03696	0.7
135.04536	67.1
136.04898	2.9
137.02480	0.4
139.04013	0.5
145.02953	0.6
151.00381	100.0
152.00700	4.5
153.01945	2.7
161.02455	1.1
161.04619	0.5
163.04021	1.5
165.01895	0.6
169.01434	1.4
197.06021	0.8
197.11755	0.6
199.03955	0.3
257.17490	0.5
269.04544	0.8
285.03964	1.1
286.04361	0.8
287.05630	84.5
288.06003	6.7
320.16986	0.4
334.45486	0.4
419.09714	8.6
419.22552	0.6
420.10071	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
61.25422	2.3
61.31052	2.3
69.63261	12.4
69.63667	3.8
70.93132	2.8
85.03119	2.6
111.95921	2.3
144.48402	2.5
218.78392	2.5
232.90521	2.3
285.04150	9.2
336.27237	2.8
388.43259	2.4
409.08591	3.4
417.21109	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	419.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01110	1.2
59.01389	14.3
67.01900	1.7
69.03428	1.0
69.89630	4.5
71.01383	8.3
72.88377	0.9
72.99318	7.6
73.02943	1.5
75.00887	5.8
78.95910	22.9
79.01868	1.2
81.03463	1.0
83.01388	1.2
85.02953	2.8
87.00886	6.4
89.02466	4.6
93.03492	0.9
95.01383	2.3
96.96056	4.1
96.96972	38.7
96.97603	2.1
99.00909	5.5
101.02467	7.1
103.03862	0.8
105.01949	100.0
106.02260	1.9
107.01402	7.3
111.01977	1.4
113.02439	3.8
117.01936	1.5
121.02985	1.5
123.00904	15.0
124.01692	1.0
125.02466	39.3
134.03709	1.5
135.04501	0.9
137.02464	1.5
139.00404	5.1
139.04004	1.0
140.01141	1.8
141.01936	2.2
147.02975	3.5
147.14160	0.8
149.06056	2.6
150.03250	1.6
151.00366	10.3
153.01894	2.0
161.04535	1.0
165.05576	1.3
167.03404	0.8
168.00592	4.0
169.01445	67.4
170.01746	3.4
193.01364	1.2
197.08116	1.5
201.01860	1.1
211.02507	7.6
229.01443	1.4
231.03027	1.1
247.02292	1.0
257.03094	1.6
267.07120	5.2
271.04590	1.6
275.01779	1.4
299.03961	1.2
300.99841	4.8
313.05624	11.1
314.06009	1.2
321.11838	1.9
331.06482	1.7
359.06146	1.3
389.06827	1.3
401.07242	4.7
402.98257	1.0
419.08127	58.9
420.08392	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	417.2651
Annotation	Juruenolide F
Peak:m/z	Relative Intensity
59.01374	0.9
71.57053	1.3
71.79839	0.7
95.01429	0.7
96.68151	0.7
117.03477	16.3
118.03872	1.0
119.05029	6.8
121.02930	1.2
133.02948	1.4
144.42099	0.8
145.02972	100.0
146.03297	4.0
151.00438	1.3
163.04018	4.9
167.10922	0.7
255.25746	0.9
271.22800	7.7
272.23160	0.8
285.04089	13.3
286.04495	1.6
342.07709	0.8
344.37997	0.9
399.25604	1.1
417.08170	2.2
417.26511	25.3
418.26846	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	417.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.24526	0.5
57.03479	0.5
58.34649	0.6
59.01394	6.1
59.10879	0.6
61.48086	0.7
61.50959	0.6
67.01895	1.1
68.52004	0.6
71.01382	3.0
76.32784	0.6
85.02935	0.7
87.00841	0.7
89.02461	0.7
93.03484	0.7
98.23080	0.7
101.02473	2.2
105.74278	0.6
106.04269	2.0
107.05041	25.4
109.02957	0.7
111.00893	2.6
113.02502	1.6
119.03521	1.2
121.02978	2.0
123.00913	1.0
137.02425	2.4
149.06094	82.4
150.06427	4.3
151.00426	3.7
154.75415	0.7
161.04570	1.3
166.02744	8.1
167.03435	1.4
177.01964	0.9
181.05093	9.2
182.05461	0.6
193.05083	0.7
195.10341	1.1
227.03493	7.7
255.03078	10.2
255.10284	100.0
256.03659	1.8
256.10614	10.2
284.00378	0.6
284.03265	17.2
285.04001	10.1
359.11523	0.9
387.10748	5.2
402.13138	3.9
414.36554	0.7
417.08282	16.5
417.15430	7.5
417.20667	1.2
418.08557	2.6
418.15704	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96042	1.3
57.03487	1.4
59.01383	100.0
71.01390	33.9
71.33586	3.5
72.99308	1.4
73.02936	2.2
79.87246	1.6
85.02948	6.2
87.00838	2.1
89.02454	47.6
95.01381	3.6
95.17351	1.3
101.02450	15.5
107.01328	1.5
109.02952	1.6
111.00877	2.5
113.02471	13.3
119.03507	18.4
123.00872	8.3
125.02456	20.4
126.02834	1.3
131.03526	1.8
133.02922	2.2
137.02399	2.8
139.00366	4.5
140.01135	2.7
141.01909	1.9
143.03471	4.5
149.04567	2.0
151.00368	5.5
161.04514	4.1
169.01450	27.8
177.09171	4.1
179.05611	14.6
182.05852	2.0
247.02359	2.1
255.03265	2.1
300.99973	2.0
387.04239	1.7
417.08621	2.5
417.13861	46.7
418.14197	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	417.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68379	0.7
59.01387	100.0
60.01720	1.2
61.98853	1.3
67.01899	16.2
67.36321	0.7
68.82221	0.6
69.03462	1.4
69.53186	4.8
71.01384	6.8
72.99323	1.1
73.02945	1.4
77.23467	0.8
85.02970	1.4
89.02473	2.6
97.02988	2.6
101.02477	3.2
111.00896	71.8
111.42841	0.7
112.01243	2.2
112.55888	0.7
113.02473	1.7
119.03519	2.3
122.06194	0.7
123.00924	1.3
125.02464	19.2
125.06087	1.4
126.02784	1.0
137.02460	1.0
143.07123	4.3
146.06113	0.8
151.00395	0.8
153.01947	3.8
156.87263	0.7
161.04594	2.0
169.01424	1.3
174.03256	0.9
181.05144	1.1
183.02934	1.6
189.05603	1.6
213.04042	2.6
253.13393	1.1
256.06219	11.6
258.22501	0.8
267.07407	0.8
283.29553	0.8
285.03961	1.3
297.12476	6.5
298.12918	1.0
321.99490	0.7
341.11511	2.8
373.14023	1.6
387.14490	3.2
388.15088	0.9
417.14047	24.8
417.20752	1.4
418.14334	3.2
441.16461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91992	0.6
57.03442	0.8
57.99133	0.6
59.01386	13.4
60.33809	0.6
61.98838	1.1
67.01899	1.4
69.03470	0.7
69.49142	1.5
69.49548	3.2
71.01387	11.3
72.99329	1.2
73.02950	2.6
75.00871	1.6
79.01907	1.7
83.01394	2.3
85.02972	5.0
87.00882	1.9
89.02471	4.1
95.01416	1.8
98.20645	0.8
99.00882	1.0
101.02451	6.8
101.38176	0.6
107.01382	3.3
111.00894	3.3
113.02467	4.3
119.03528	1.5
121.19334	0.6
123.00900	14.1
124.01716	1.2
125.02455	15.4
127.00367	0.9
136.98831	1.7
137.02362	0.7
139.00391	5.8
139.07594	1.3
140.01230	2.9
141.01952	1.3
143.03491	0.9
151.00386	12.9
158.79999	0.6
161.04625	3.0
165.05630	0.8
168.00671	4.0
169.01443	22.5
170.01787	1.0
179.05644	0.7
201.05394	0.6
203.03693	0.8
211.02524	0.9
217.91164	0.7
219.10152	1.1
245.00862	0.9
271.04617	1.4
311.09430	0.8
313.05634	1.3
338.24603	0.6
339.08615	0.7
357.15524	0.6
359.16144	0.6
369.13599	0.8
417.13983	100.0
418.14322	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	417.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
57.03454	0.8
59.01385	23.8
60.01720	0.6
67.01901	0.8
69.03456	0.9
70.11497	2.3
71.01388	10.6
72.99319	1.3
73.02946	2.2
74.03851	0.5
79.53673	0.5
83.01400	2.6
85.02966	3.0
87.00880	1.4
89.02451	9.7
90.02789	0.5
93.03481	0.5
95.01410	2.3
97.02952	1.0
98.20509	0.7
99.00897	0.8
101.02452	6.4
103.03997	0.8
103.07636	0.5
107.01411	4.6
107.05030	1.4
108.69192	0.5
109.02960	10.5
110.00116	0.5
111.00887	3.3
113.02470	4.5
117.32892	0.6
119.03568	2.6
119.04213	0.5
121.02961	1.1
123.00906	15.8
124.01673	2.3
125.02462	28.9
126.02797	1.1
127.00384	1.1
131.03575	0.6
136.98839	1.2
137.02472	0.8
139.00388	6.9
140.01183	4.8
141.01968	2.9
143.03525	0.8
151.00388	13.5
151.01588	1.0
153.01974	1.6
155.61557	0.6
161.04596	1.5
163.04008	0.8
166.06401	3.5
167.06609	0.6
168.00591	4.7
169.01443	46.6
170.01723	2.3
177.09245	1.1
179.05634	2.8
181.05098	0.7
181.08772	2.9
183.04794	0.7
193.04988	0.7
195.10231	0.8
211.02568	1.1
247.02448	1.5
269.30081	0.6
271.04617	1.2
291.01654	0.8
300.99667	0.7
313.05716	2.1
343.14142	0.7
347.24576	0.5
417.14056	100.0
418.14410	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	417.1405
Annotation	Itoside I
Peak:m/z	Relative Intensity
55.01870	0.9
57.03454	0.8
59.01385	23.8
60.01720	0.6
67.01901	0.8
69.03456	0.9
70.11497	2.3
71.01388	10.6
72.99319	1.3
73.02946	2.2
74.03851	0.5
79.53673	0.5
83.01400	2.6
85.02966	3.0
87.00880	1.4
89.02451	9.7
90.02789	0.5
93.03481	0.5
95.01410	2.3
97.02952	1.0
98.20509	0.7
99.00897	0.8
101.02452	6.4
103.03997	0.8
103.07636	0.5
107.01411	4.6
107.05030	1.4
108.69192	0.5
109.02960	10.5
110.00116	0.5
111.00887	3.3
113.02470	4.5
117.32892	0.6
119.03568	2.6
119.04213	0.5
121.02961	1.1
123.00906	15.8
124.01673	2.3
125.02462	28.9
126.02797	1.1
127.00384	1.1
131.03575	0.6
136.98839	1.2
137.02472	0.8
139.00388	6.9
140.01183	4.8
141.01968	2.9
143.03525	0.8
151.00388	13.5
151.01588	1.0
153.01974	1.6
155.61557	0.6
161.04596	1.5
163.04008	0.8
166.06401	3.5
167.06609	0.6
168.00591	4.7
169.01443	46.6
170.01723	2.3
177.09245	1.1
179.05634	2.8
181.05098	0.7
181.08772	2.9
183.04794	0.7
193.04988	0.7
195.10231	0.8
211.02568	1.1
247.02448	1.5
269.30081	0.6
271.04617	1.2
291.01654	0.8
300.99667	0.7
313.05716	2.1
343.14142	0.7
347.24576	0.5
417.14056	100.0
418.14410	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	417.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	3.5
58.52449	1.0
59.01392	8.6
67.01881	1.7
71.01394	8.3
73.02966	7.1
75.00869	1.1
79.01918	1.6
80.53407	1.2
83.01381	1.0
85.02952	3.6
87.04520	13.3
89.02448	2.9
95.01390	3.6
97.02942	3.3
98.20645	2.3
99.04530	2.1
101.02463	1.9
103.04023	49.1
107.01404	6.3
111.00873	1.3
113.02439	3.2
115.04021	8.8
117.05610	2.8
119.03501	1.1
123.00903	25.0
124.01696	1.3
125.02464	33.2
126.02798	1.5
137.02449	1.8
139.00403	7.5
140.01123	1.4
141.01959	2.3
145.05066	6.8
151.00392	21.8
153.01907	1.4
160.77605	1.0
167.03436	1.8
168.00682	5.1
169.01445	76.2
170.01794	2.4
191.03441	0.9
193.01384	1.9
206.89081	0.9
211.02522	12.4
218.26695	1.0
253.03413	2.1
265.09259	1.3
271.04605	2.1
299.37878	1.0
313.05649	8.3
360.13092	1.2
399.09329	8.2
400.09674	1.3
417.10373	100.0
418.10687	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	417.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72742	0.2
55.01893	0.3
59.01390	3.3
59.80121	0.2
60.34841	0.2
61.98831	0.3
65.00328	0.7
70.87404	0.3
70.87751	0.6
71.01391	2.0
73.02943	0.8
83.01388	0.9
85.02959	1.0
89.02453	1.0
101.02448	1.6
107.01401	2.0
111.33556	0.3
113.02493	0.7
119.05014	0.3
121.14796	0.3
122.49918	0.2
129.48747	0.3
132.02217	0.3
133.02968	9.0
134.03343	0.3
149.02481	2.1
151.00388	5.5
152.00681	0.2
162.87494	0.2
163.04019	0.3
171.04495	0.3
175.04044	2.9
185.06172	0.4
198.03313	0.4
199.04015	2.9
201.01932	1.1
211.04210	0.2
213.05548	0.5
215.03468	0.4
217.05180	1.5
223.03958	0.4
227.03667	0.3
241.05020	1.1
243.03020	0.8
256.03790	4.7
257.04398	0.9
263.27338	0.3
267.02948	0.4
284.03281	8.1
285.04068	100.0
286.04419	8.9
286.07733	0.3
297.48581	0.2
417.08301	35.4
417.21005	6.8
418.08765	3.6
418.21756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21756	0.7
57.03462	0.8
58.00601	0.8
59.01387	12.8
67.01891	1.0
67.82124	0.7
69.03474	1.4
69.53704	2.7
69.54121	1.7
71.01395	9.8
73.02959	5.6
75.00909	0.8
75.24100	0.6
79.01894	1.3
79.51382	0.6
81.03479	0.9
83.01415	1.0
85.02972	2.8
87.00905	1.0
87.04531	2.7
89.02453	6.1
95.01427	1.8
97.02988	2.3
101.02435	4.6
103.04020	15.3
104.04388	0.6
107.01421	3.0
111.00907	1.9
113.02464	3.9
115.03995	2.1
119.03539	1.9
121.02926	0.7
123.00911	13.0
124.01698	4.6
125.02465	73.0
126.02801	2.6
136.98846	1.1
137.02489	0.8
139.00424	3.7
139.03989	1.1
140.01183	2.0
141.01974	1.6
145.04977	0.9
151.00378	7.6
152.01221	0.9
166.99886	0.8
168.00658	8.6
169.01453	100.0
170.01744	4.1
183.02907	0.7
193.01405	0.9
211.02530	14.7
212.02852	0.7
225.85695	0.7
247.02444	0.8
247.51642	0.6
263.37601	0.7
265.09256	3.0
271.04630	13.1
273.00311	1.1
285.97440	0.7
300.99878	1.0
313.05640	5.8
331.06583	1.7
387.09070	1.9
399.09369	3.9
417.10349	91.7
418.10666	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	415.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.9
73.02472	0.5
74.99104	6.1
77.00676	73.2
78.01015	0.7
83.85738	0.5
98.20750	0.9
114.91039	0.5
142.59013	0.4
147.08148	1.6
149.09737	1.5
161.09755	0.9
163.11310	2.8
187.11276	3.3
203.10751	0.7
241.73993	0.6
271.23697	0.6
279.14035	1.0
280.14874	1.2
295.74167	0.5
307.16904	0.7
309.22443	2.4
321.18774	0.5
337.21768	100.0
338.22104	14.6
415.23138	12.4
416.23450	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	0.6
70.06030	1.6
72.99318	13.5
73.02957	7.3
75.00883	79.9
90.87053	0.6
99.52271	0.5
135.33595	0.5
138.00050	0.5
218.07405	0.5
295.30057	1.4
323.33127	0.7
354.33279	0.5
415.34317	100.0
416.34677	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	417.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02394	0.3
65.00327	0.9
69.41833	0.5
83.01392	0.7
98.20618	0.2
105.03469	0.2
107.01401	2.0
121.02969	0.3
132.02238	0.1
133.02962	9.8
134.03299	0.5
143.05049	0.1
145.06639	0.1
147.04536	0.1
149.02454	1.9
151.00383	6.0
152.00758	0.2
157.06525	0.1
162.59554	0.1
169.06569	0.1
171.04524	0.3
172.05061	0.1
173.02510	0.1
173.06044	0.1
175.04015	3.3
176.04367	0.3
177.01929	0.1
185.06105	0.3
187.04010	0.1
189.05583	0.2
197.06053	0.3
198.03207	0.5
199.04019	2.7
200.04395	0.3
201.01968	1.1
211.03976	0.1
212.04677	0.2
213.05562	0.6
214.02776	0.1
215.03532	0.4
216.30995	0.1
217.05032	1.7
218.05354	0.1
223.04048	0.2
224.04727	0.1
226.02745	0.2
229.05058	0.2
239.03508	0.1
240.04196	0.1
241.05083	1.1
242.02167	0.2
242.05553	0.1
243.03023	0.9
256.03772	1.9
257.04575	0.5
267.03027	0.3
284.03287	2.1
285.04068	100.0
286.04407	10.1
417.08292	10.0
418.08679	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53111	3.7
58.25449	3.9
59.01385	49.4
67.37864	4.2
69.69399	15.1
69.69820	9.8
71.01390	39.1
73.02965	9.4
78.95912	4.6
82.95428	6.8
85.02964	9.5
89.02471	24.4
98.39622	3.5
101.02437	11.1
111.00935	4.5
113.02508	10.6
119.03472	5.5
121.06602	5.4
123.00855	9.8
125.02453	72.8
135.04504	4.1
138.01956	27.4
151.00409	12.2
153.01967	10.9
160.07555	4.1
161.04517	8.8
167.06136	33.4
168.00648	6.6
169.01421	74.4
170.01709	3.9
181.25249	4.5
186.52602	4.5
195.05676	7.2
195.35324	4.2
197.07257	5.1
209.07201	6.0
222.06673	10.3
222.31781	4.5
224.08275	4.5
236.08258	20.0
254.09415	10.6
264.07837	22.0
266.09198	24.5
271.04745	6.1
282.08765	6.9
284.10516	9.9
293.08734	4.1
294.08966	33.7
299.09479	5.0
312.09985	11.4
313.05621	29.6
326.07715	8.8
356.08817	100.0
371.07843	5.1
376.91238	4.3
377.24942	4.5
415.06830	8.9
415.11774	63.1
415.20346	14.7
416.13132	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.2
57.03458	6.6
58.00600	2.6
59.01387	56.8
67.01903	1.0
69.03473	3.3
69.41399	1.5
69.41805	4.2
71.01389	90.5
72.01727	2.1
72.99316	4.0
73.02956	41.1
74.03318	0.9
75.00882	1.4
79.01878	1.6
81.03487	1.5
83.01395	27.8
83.05001	0.7
84.01703	0.9
85.02961	47.2
85.40637	0.7
87.00890	4.5
89.02449	9.9
95.01401	8.1
97.02962	4.7
99.00889	13.4
99.04555	0.7
101.02454	84.8
102.02794	2.6
103.04009	5.1
104.18365	0.7
107.01432	3.2
107.05039	1.0
111.00923	1.7
113.02463	36.4
114.02802	1.2
119.03537	2.4
123.00909	10.4
124.01703	0.8
125.02464	19.9
126.02737	0.7
127.00500	0.8
127.04043	1.3
129.01938	2.3
132.65851	0.6
139.00424	4.2
140.01144	2.6
141.01936	1.6
143.03528	5.1
145.05122	1.3
151.00395	7.1
152.01160	0.8
153.02026	1.2
159.03030	6.7
161.04576	55.7
162.04883	2.4
163.06134	2.7
168.00658	2.4
169.01448	15.3
170.01720	0.7
205.03435	1.1
229.07202	1.7
247.08199	3.4
269.10333	100.0
270.10678	9.2
300.00620	0.7
313.05771	1.1
415.12439	43.1
415.16577	15.9
416.12231	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	415.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27143	0.6
59.01387	20.6
59.01689	1.0
61.98852	1.0
67.01910	0.9
67.87645	0.6
68.99845	1.0
69.38200	3.3
69.38624	2.1
71.01385	12.0
72.99313	0.8
73.02968	2.2
79.01933	0.7
83.01412	2.2
83.05048	0.8
85.02946	4.2
87.00881	1.5
89.02453	6.9
95.01426	2.9
99.00919	1.1
101.02460	7.3
101.06075	2.5
107.01393	4.1
108.75602	0.7
109.02970	0.7
111.00861	3.9
113.02435	4.2
114.16129	0.7
115.07688	2.9
119.03538	2.3
123.00898	15.0
124.01695	0.9
125.02455	18.1
125.03316	0.9
127.00418	0.7
135.04562	1.2
136.98819	1.7
139.00372	7.9
139.01295	0.9
140.01175	4.6
141.01962	1.3
147.04492	0.8
151.00392	15.5
153.01971	4.7
161.04619	1.6
163.04086	0.7
168.00670	6.7
169.01436	25.2
170.01822	1.2
179.05711	0.9
181.05241	0.7
211.02467	7.8
253.14592	1.0
264.16138	0.7
271.04596	3.7
282.84216	0.8
313.05838	1.4
346.16904	0.7
415.16266	100.0
416.16653	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	415.1403
Annotation	Schisantherin P
Peak:m/z	Relative Intensity
54.78025	0.3
55.01857	0.4
57.03452	0.3
59.01382	1.9
61.82639	0.2
61.98832	0.2
71.01392	3.1
71.57834	0.4
73.02950	0.9
81.61525	0.2
83.01404	0.5
85.02967	1.6
86.25125	0.3
87.00893	0.3
87.61198	0.3
89.02448	0.4
93.27913	0.2
95.01391	0.4
99.00900	0.5
101.02453	2.6
113.02464	1.3
117.03475	26.6
118.03816	1.4
119.05038	4.8
120.05355	0.2
121.02965	0.3
123.04545	0.3
125.02512	0.3
145.02965	100.0
146.03314	5.1
147.04549	0.3
157.31311	0.3
161.04544	0.4
163.04025	5.8
171.27675	0.2
261.72156	0.3
269.10150	0.4
291.49942	0.2
312.96951	0.3
415.13992	37.7
416.14337	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	415.1611
Annotation	2-Phenylethyl O-alpha-arabinopyranosyl-(1->6)-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.82026	0.6
57.03442	0.8
58.00595	2.7
59.01384	75.8
65.46224	0.7
65.71555	0.7
69.03448	0.9
69.35039	4.7
70.95673	0.8
71.01389	56.3
72.99309	2.5
73.02955	19.2
78.95914	2.8
83.01402	1.0
83.21507	0.7
85.02953	5.7
87.00875	1.4
89.02453	100.0
90.02785	1.6
92.60709	0.7
95.01407	1.3
97.02953	1.0
99.00888	30.5
100.01176	1.0
101.02454	31.9
102.02766	0.8
102.98589	1.0
103.09821	0.6
106.17968	0.6
113.02459	12.2
113.97302	0.6
118.39576	0.7
119.03517	8.1
123.00848	0.8
125.02473	5.8
131.03506	17.1
132.03847	0.9
143.03522	2.1
149.04564	58.6
150.04890	1.5
161.04561	3.2
169.01472	0.8
179.05600	2.8
191.05643	13.3
193.08688	0.8
221.06627	1.8
251.07736	2.9
267.03799	1.4
343.09354	0.7
385.09396	2.0
400.11606	1.7
405.15442	0.8
415.16754	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00588	0.5
59.01116	0.6
59.01389	9.3
67.01880	1.5
69.03472	0.9
71.01384	7.2
72.99313	1.3
73.02945	0.9
77.64967	0.5
79.01901	2.5
81.03455	0.5
83.01391	1.1
85.02929	1.0
87.04509	1.0
89.02445	1.0
93.09924	0.5
95.01382	2.7
97.02946	0.9
101.02438	2.1
101.06091	19.4
101.06766	0.9
102.06461	0.4
107.01400	6.1
111.00871	1.3
111.18813	0.5
113.02424	1.7
113.06041	0.5
115.07661	32.6
116.07979	1.4
123.00896	26.5
124.01673	0.7
125.02456	27.9
136.98889	0.6
137.02431	0.8
139.00383	6.8
140.01184	1.1
141.01956	2.9
143.07121	2.1
151.00374	20.4
151.03897	0.6
152.00693	1.1
153.01933	1.5
165.01915	0.8
167.03491	0.5
168.00732	2.4
169.01439	52.6
170.01802	1.9
183.02959	1.0
193.01466	1.1
195.02983	0.5
211.02495	8.2
212.02710	0.7
223.73419	0.5
229.40668	0.6
253.03558	1.5
275.59412	0.5
313.05713	4.4
314.05914	0.6
334.91739	0.5
355.10492	1.9
397.11447	0.6
415.12469	100.0
416.12845	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	415.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
59.01390	7.6
66.78009	0.4
67.01910	0.5
68.99819	0.6
69.03465	1.0
69.40181	2.9
71.01388	11.0
72.99325	0.7
73.02950	1.8
74.29152	0.4
79.01906	1.0
81.03458	0.7
83.01400	0.9
85.02962	2.6
87.00864	0.6
89.02448	4.6
95.01415	1.4
97.02987	1.5
99.00923	0.8
101.02456	3.7
101.06100	2.6
107.01405	9.8
109.67585	0.3
111.00912	1.3
113.02461	2.2
121.06611	3.8
123.00903	8.1
124.01691	1.3
125.02457	67.6
126.02801	2.2
131.03558	0.5
136.98843	1.0
137.02377	0.4
137.09785	0.7
139.00381	3.4
139.04025	0.5
140.01161	1.7
141.01974	0.9
149.04559	0.9
151.00374	6.5
165.01956	0.6
167.03526	0.5
168.00661	3.2
169.01439	100.0
170.01765	4.0
179.03584	0.6
191.05675	0.6
205.12418	0.6
211.02509	6.0
219.02995	0.3
233.06711	2.4
241.03592	4.9
245.00931	0.7
271.04620	5.8
284.07123	0.6
285.00537	0.6
293.08878	1.9
299.01920	0.5
313.05670	50.2
314.06006	4.0
355.10159	1.1
371.07596	1.5
372.14764	0.4
405.66544	0.4
415.06937	4.5
415.12357	68.1
416.07162	0.9
416.12686	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	415.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.7
59.01146	0.4
59.01384	4.7
65.00299	0.4
67.01892	0.8
67.56799	0.5
69.87555	2.0
71.01386	7.0
72.99326	0.5
73.02950	2.3
79.01896	0.8
82.18523	0.5
83.01378	1.9
85.02945	3.9
86.03317	0.4
87.00881	1.2
89.02459	0.9
95.01383	2.7
95.56251	0.5
97.02966	0.8
97.09183	0.5
98.19997	0.8
99.00884	1.1
101.02456	4.1
101.06091	0.8
107.01414	4.7
108.02198	4.0
109.02962	2.9
110.00111	0.6
111.00896	3.8
113.02460	3.0
121.03055	0.5
123.00900	15.1
123.04491	0.6
124.01662	1.8
125.02458	17.6
126.02796	0.7
127.00383	1.7
136.98799	2.1
137.02487	0.7
139.00383	7.1
140.01183	7.6
141.01907	1.7
149.09705	0.8
151.00391	11.0
152.01154	4.1
153.01941	1.6
154.99835	0.8
157.70578	0.5
161.04552	0.6
162.43086	0.4
167.03516	1.3
168.00647	6.9
169.01451	25.4
170.01790	0.7
179.03383	0.4
181.04980	0.5
193.08667	0.5
211.02519	0.7
224.64459	0.5
241.03548	0.5
271.04825	0.6
300.99802	1.0
313.05609	1.9
357.08295	0.9
415.12463	100.0
416.12769	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	415.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43316	0.5
51.64938	0.4
54.75741	0.4
57.03463	0.5
59.01376	1.9
65.21125	0.4
67.01889	0.9
69.03458	0.7
71.01387	5.3
71.05035	1.2
72.99297	0.8
73.02953	1.2
75.00887	0.7
79.01880	0.7
83.01390	1.4
83.05045	1.5
85.02966	3.4
87.00893	0.6
95.01386	2.6
96.20678	0.5
97.02972	0.8
98.20658	1.3
99.00922	0.7
101.02469	2.7
101.06090	2.0
101.12662	0.4
107.01377	3.8
111.00889	2.2
113.02460	1.2
116.49253	0.4
123.00903	16.6
124.01711	1.8
125.02459	18.6
127.00346	0.8
136.98860	1.5
137.02434	0.8
138.02846	0.5
139.00404	5.5
140.01196	4.2
141.01965	1.8
151.00391	11.2
167.03323	0.5
168.00685	3.6
169.01451	23.1
170.01776	0.9
177.04041	2.2
178.32333	0.5
211.02318	0.7
251.99124	0.6
313.05594	0.9
415.12479	100.0
416.12759	10.5
416.17859	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97442	0.6
55.01875	4.1
57.03434	3.0
58.00578	1.4
59.01387	28.9
65.61752	0.7
67.01888	1.1
69.03450	1.5
69.75197	1.2
69.75623	3.2
71.01392	46.9
72.01720	1.1
72.99291	2.5
73.02560	1.2
73.02956	22.9
75.00867	1.2
79.01889	1.2
79.75150	0.8
83.01398	16.2
85.02467	1.5
85.02963	27.6
86.00031	1.0
87.00909	3.8
89.02452	6.2
95.01407	6.7
97.02929	3.5
98.19924	1.0
99.00897	6.3
101.02457	45.2
102.02773	0.8
103.03999	3.2
107.01388	5.9
107.05013	0.9
109.02946	0.9
111.00906	4.7
113.02459	17.1
119.03500	1.2
123.00906	17.4
124.01706	1.6
125.02457	23.1
136.98772	1.8
139.00381	7.0
140.01166	4.1
141.01913	2.2
143.03458	2.4
151.00395	14.4
152.00934	1.5
153.01942	1.4
159.03065	4.0
159.04077	0.9
161.03276	1.4
161.04579	28.1
162.04845	1.1
163.06091	1.0
168.00594	3.2
168.09148	0.8
169.00023	1.4
169.01443	28.4
177.01825	0.7
179.03442	0.8
181.05045	0.8
247.08203	1.4
261.99567	0.8
269.10324	49.7
270.10730	4.3
270.62039	0.7
297.06046	0.9
313.05612	2.3
415.12268	100.0
416.12570	12.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.146
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	5.0
61.98829	1.6
66.30227	0.6
67.01888	0.9
69.03474	1.6
69.57478	3.0
69.57883	1.3
69.60864	0.6
71.01382	2.7
72.99328	1.0
73.02945	1.0
80.02643	0.7
83.01338	0.5
85.02979	0.8
89.02463	1.4
93.03444	0.6
95.01418	1.5
97.02979	0.8
98.19888	0.7
98.95604	1.3
101.02452	1.7
111.00899	1.7
111.43621	0.6
113.02463	1.4
123.00896	7.4
123.04559	0.7
124.01736	1.1
125.02461	45.1
126.02782	1.6
136.98784	0.9
139.00388	4.1
140.01195	2.7
141.02014	1.0
163.07664	0.7
166.99855	4.9
168.00624	3.7
169.01442	60.1
170.01782	1.8
181.01497	1.1
189.12935	1.0
201.96117	0.7
207.13922	1.2
213.05688	1.1
216.15918	0.6
231.83977	0.7
250.08482	10.2
251.09265	100.0
251.12848	3.9
252.09581	8.8
404.00577	0.6
413.14560	63.2
414.05621	0.7
414.14999	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	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13874	1.6
59.01385	100.0
59.46721	1.6
64.37636	1.7
69.64980	4.1
69.65390	9.0
94.16639	1.9
96.36540	1.8
106.54453	1.7
139.97318	2.1
140.75763	1.6
149.14418	2.1
231.66519	2.1
233.70634	1.8
300.99811	3.2
413.30933	4.9
413.36655	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	413.3064
Annotation	14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione
Peak:m/z	Relative Intensity
54.69608	0.8
59.01368	1.1
69.31586	3.5
69.32020	3.4
94.50583	0.9
113.83113	0.9
137.56223	0.8
193.28006	0.9
202.43510	0.9
300.99896	1.4
413.30643	100.0
414.31000	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	414.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
61.98829	0.5
69.76418	0.9
69.76837	1.1
71.01392	7.9
72.99313	0.4
83.01416	0.5
85.02975	0.9
87.00920	0.4
88.04053	1.3
89.02483	1.2
91.01884	0.8
93.03468	8.4
95.01407	0.6
96.96011	0.8
99.00906	0.3
101.02472	1.0
107.01403	1.1
111.00897	0.5
113.02478	0.7
114.01986	0.8
115.00386	8.4
117.03475	0.4
118.03003	9.0
119.03413	0.4
119.05074	0.6
121.02976	1.2
123.00902	2.8
125.02465	3.9
125.33892	0.3
126.33256	0.3
132.03043	0.9
133.37155	0.3
136.04059	100.0
137.02481	4.7
137.04404	3.9
139.00415	1.0
140.01201	0.7
145.02975	0.5
146.06145	1.9
147.04546	0.5
151.00371	1.7
159.04538	0.5
161.02577	0.4
163.00537	0.4
163.04004	0.6
164.07176	5.5
165.01927	0.3
165.05551	0.4
168.00671	0.9
169.01442	4.7
175.04062	0.6
177.01895	0.4
189.01901	0.8
190.05110	0.7
191.03499	0.8
201.02005	0.7
203.03540	1.2
205.01526	0.4
205.06888	0.3
205.08690	0.5
208.06168	9.7
209.00914	0.6
209.04565	0.8
209.06488	0.5
215.44653	0.3
217.01549	0.7
229.01414	1.3
229.34230	0.4
231.03448	0.4
233.00919	0.5
234.04086	1.9
235.02649	0.4
245.01059	0.6
245.92213	0.4
247.02597	1.2
252.05167	12.0
253.05522	0.6
273.00519	0.7
275.01996	0.8
276.51968	0.3
283.99683	0.5
298.09378	0.5
298.98001	0.4
299.07639	0.5
299.99179	0.4
300.99939	10.8
396.09665	0.7
414.10495	27.4
415.12521	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	413.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07002	0.4
58.00597	0.4
59.01111	0.6
59.01387	9.6
65.00307	0.4
67.01884	1.1
69.03458	0.5
69.28289	3.3
70.65318	0.4
71.01399	5.2
72.99316	1.0
73.02951	0.4
79.01897	1.4
83.01387	1.5
85.02959	1.5
89.02460	3.3
95.01382	2.3
97.02947	0.6
100.08959	0.3
101.02444	3.1
107.01399	5.0
110.00092	0.6
111.00889	2.6
113.02451	1.4
119.03530	0.8
123.00900	18.1
124.01745	1.9
125.02466	17.0
126.02760	0.5
127.00395	1.7
136.98804	2.0
139.00388	8.3
139.25287	0.4
140.01183	4.6
141.01933	1.6
151.00389	12.9
152.00783	0.5
153.01984	0.9
163.04037	0.5
167.03487	0.7
168.00650	5.6
169.01442	19.7
170.01790	1.0
179.81511	0.4
211.02504	3.0
262.11243	0.4
271.04620	2.5
272.28723	0.4
274.05081	0.3
280.71362	0.4
313.05701	1.1
326.05548	0.4
340.97733	0.4
350.29953	0.4
413.14563	100.0
414.14932	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	413.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
59.01385	5.6
61.98843	0.4
62.44871	0.4
67.01880	0.9
69.38168	3.4
71.01394	5.1
72.99323	2.2
73.02945	0.6
78.95921	0.8
79.01907	0.6
83.01380	1.1
85.02966	3.0
87.00877	0.6
89.02449	1.5
95.01398	1.8
99.00884	1.2
101.02455	2.9
107.01414	2.3
110.00105	0.7
111.00870	2.3
113.02444	1.9
119.03499	0.4
119.05077	0.5
122.06245	0.4
123.00896	11.0
124.01742	0.9
125.02466	11.7
126.02843	0.4
127.00386	0.8
132.02213	0.7
135.00925	0.4
135.04517	0.6
136.98805	1.4
137.02425	0.5
139.00412	4.6
140.01178	3.4
141.01917	1.4
145.02979	0.4
147.04538	2.2
149.06097	0.5
151.00388	9.4
152.07281	0.6
152.99602	1.7
153.01958	1.5
160.01682	1.6
161.02443	0.6
163.04015	0.9
165.02008	0.7
168.00641	4.4
169.01442	16.5
170.01836	0.5
175.04012	2.1
179.07141	0.6
191.03517	1.9
192.45049	0.4
193.05066	0.8
204.06651	0.4
208.07413	0.5
209.04596	0.8
211.02504	3.1
233.41133	0.3
250.08646	0.9
251.09224	0.8
251.12923	0.6
271.04568	2.6
280.45020	0.4
313.05646	0.9
325.16583	0.5
413.14578	100.0
414.14886	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	413.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16539	0.5
54.71368	0.5
55.15735	0.4
57.75040	0.6
59.01395	2.4
69.54893	3.6
70.97323	0.5
71.01386	2.0
75.00851	0.8
80.55672	0.4
85.02943	0.8
85.46929	0.5
87.00945	0.6
91.05576	0.7
93.03491	0.7
95.01456	0.7
96.96018	3.8
98.19949	0.7
99.00899	0.7
101.02458	1.7
105.29462	0.5
107.01407	1.1
107.05037	0.5
111.00879	1.1
113.02440	0.6
117.03477	0.5
119.05058	1.5
123.00896	1.4
123.04523	0.8
125.02446	6.5
126.02839	0.5
135.04546	11.5
137.05864	0.5
145.02951	1.2
149.02451	1.1
150.03233	2.0
151.00430	1.4
151.03943	0.5
153.68239	0.5
161.02435	1.5
162.03252	7.4
163.00455	0.7
163.04028	12.6
164.04457	0.7
168.00659	0.6
169.01437	9.9
177.01968	6.8
177.05530	0.7
178.02716	7.1
178.99918	0.6
179.02116	0.5
179.03471	3.5
189.01939	1.4
191.03487	0.5
192.00636	11.6
193.01358	1.1
199.70630	0.5
203.03555	0.8
205.01433	1.6
206.02214	32.3
207.02995	100.0
208.03345	4.9
210.01726	1.4
214.99873	0.7
217.01399	0.6
233.00986	1.5
247.02451	0.7
251.01988	1.2
301.00034	1.1
313.05682	5.5
369.08282	34.1
370.08655	2.7
413.07230	68.7
414.07584	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	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16341	2.3
50.94602	2.7
58.81496	2.4
59.01387	100.0
69.66830	14.6
74.94792	2.5
79.76144	3.0
94.61941	2.2
98.19901	5.0
99.38651	2.8
104.57201	2.6
141.09239	6.9
303.82254	2.9
370.25644	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	412.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.2
61.98829	0.5
69.37938	0.7
69.38332	2.3
76.50133	0.3
80.97603	0.3
103.85278	0.3
120.01263	100.0
121.01711	1.6
123.04517	0.4
125.02419	0.5
165.12836	0.6
167.03470	0.9
169.01428	0.4
196.97437	0.4
224.28505	0.4
225.71213	0.3
238.66676	0.3
247.20749	0.6
273.18784	0.4
291.19711	3.1
315.82874	0.3
412.21707	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08955	1.2
57.03458	1.8
59.01392	8.3
61.98835	3.0
69.81491	1.2
71.01397	13.8
71.56345	2.7
72.99319	7.0
73.02964	2.1
79.95734	7.5
82.95423	2.2
85.02963	4.2
89.02469	4.6
93.03469	2.9
95.01423	1.5
96.96008	1.8
97.32752	1.4
101.02448	8.5
107.01408	3.9
107.05017	2.0
108.08035	1.7
111.00907	2.2
113.02469	3.9
117.03480	12.4
119.05045	91.6
120.05385	3.9
120.99706	2.0
123.00915	5.2
124.01639	1.3
125.02477	21.7
135.04547	32.0
136.04863	1.5
137.02475	2.4
139.00430	1.9
145.02979	48.7
151.00359	2.7
161.02425	2.2
161.04622	3.6
163.04022	36.6
164.04399	1.7
168.00568	2.0
169.01448	45.0
170.01768	3.1
181.05087	100.0
182.05411	7.4
199.00726	47.4
199.02582	2.8
200.01056	2.8
210.66179	1.3
215.00235	19.3
242.99710	18.6
243.03580	1.3
243.99831	1.5
248.97124	2.9
251.05597	1.8
313.05884	1.5
333.06177	55.0
334.06555	4.9
369.56561	1.6
412.93173	1.5
413.01801	32.7
413.07016	24.2
413.15097	19.0
414.01999	3.7
414.06949	2.3
414.15070	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	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16532	3.0
56.42375	2.9
59.01389	76.4
60.01704	2.8
61.98825	12.0
63.29272	2.8
71.01386	38.2
71.57591	5.0
72.01737	3.2
76.43386	2.8
79.05511	3.1
81.07139	2.9
83.05038	4.0
85.02959	11.7
85.95454	2.8
89.02460	27.8
92.16074	2.7
95.01437	3.5
95.05086	3.2
101.02432	17.8
109.74889	2.9
113.02466	23.9
119.03516	12.1
119.05052	5.5
123.04575	4.8
129.08134	2.7
145.02982	5.3
153.05492	4.8
153.25311	2.7
159.08183	4.4
161.04587	3.8
161.13382	65.2
162.13655	4.6
166.35364	2.6
169.01472	4.2
176.13954	2.7
178.06717	3.5
179.05605	4.9
183.11880	2.8
185.13438	5.3
187.11301	35.8
195.02878	3.3
205.12340	100.0
206.12740	12.5
211.07607	8.3
229.12367	17.9
231.10353	4.4
239.77492	3.4
249.11356	53.7
250.11450	3.2
275.13367	2.9
349.23804	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23888	1.7
58.56186	1.8
59.01365	2.1
69.52757	14.4
88.24920	1.8
106.41562	1.8
161.46893	1.8
183.13893	8.2
187.11263	2.3
195.13910	6.3
197.02209	2.8
205.12411	2.1
213.14970	100.0
214.15413	4.3
240.31873	1.7
244.56212	2.0
247.28798	1.9
335.89966	1.8
411.17612	4.9
426.67120	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	411.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82498	0.5
57.03463	0.8
59.01389	3.2
60.18189	0.4
62.57403	0.4
63.41463	0.4
71.01382	1.4
71.56381	0.8
72.99317	0.6
73.02950	0.6
76.86603	0.5
79.76939	0.4
85.02940	0.5
89.02465	0.7
93.03487	1.1
95.01411	0.6
96.96069	0.5
101.02437	1.2
103.04016	3.9
117.03484	1.9
119.05038	100.0
120.05378	4.4
123.00899	0.7
126.64248	0.4
133.02975	1.5
133.06570	0.7
135.04501	0.6
135.98358	1.3
136.99112	0.9
137.02443	1.8
141.51752	0.5
145.02969	11.3
146.03374	0.6
161.02444	4.8
161.04634	0.5
161.06059	1.2
163.04024	77.1
164.04378	4.7
169.01445	0.7
176.69052	0.4
177.05655	0.5
179.03514	0.9
205.05051	1.7
235.06219	0.6
257.03799	0.5
265.06985	0.9
307.08243	1.4
411.12955	7.2
412.13171	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78726	0.2
59.01389	2.5
61.98827	0.6
69.05071	0.2
71.01383	1.1
71.30006	0.6
72.99316	0.4
79.95752	3.3
85.02977	0.4
89.01938	0.3
89.02464	0.8
95.95251	0.9
96.96021	36.3
101.02447	0.7
113.02421	0.4
122.97597	11.4
165.02275	0.5
169.01382	0.3
192.10519	0.3
231.06972	18.2
232.07336	1.0
241.10823	0.3
249.08102	0.9
291.09125	1.5
300.99835	0.6
325.57648	0.3
326.05505	0.3
361.28632	0.3
411.13330	100.0
412.13644	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	411.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33424	1.3
59.01372	4.7
61.98859	1.6
62.63702	1.3
69.26112	11.8
71.01417	1.6
80.01440	1.1
82.05778	1.3
93.03470	91.9
94.03812	3.2
96.96037	1.9
98.20659	2.6
101.02489	1.6
153.01921	9.3
169.06630	19.8
171.11751	1.5
197.02275	2.0
210.99289	2.3
213.05597	100.0
214.05898	5.8
220.46045	1.3
251.10373	1.2
255.68976	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	411.0935
Annotation	Cibotiumbaroside A
Peak:m/z	Relative Intensity
55.01891	0.8
57.03419	0.8
57.54388	0.6
59.01118	0.8
59.01385	9.8
61.98837	0.7
67.01891	1.4
68.99335	0.6
69.03467	0.8
71.01386	8.6
71.32925	1.0
72.17088	0.5
72.99310	1.2
73.02962	3.2
79.01881	1.4
83.01392	2.2
85.02956	5.0
86.41520	0.6
87.00837	0.7
88.98782	1.1
89.02448	1.2
93.03464	5.9
95.01399	3.6
96.96001	3.6
97.02936	1.7
99.00902	1.4
101.02461	7.1
105.00149	0.8
107.01385	5.5
111.00895	3.1
113.02478	3.1
115.26010	0.6
116.57737	0.5
119.05022	4.4
123.00898	17.8
123.04385	0.6
124.01678	1.3
125.02464	25.2
127.00341	1.8
127.44492	0.7
136.98839	1.4
137.02475	1.0
139.00383	7.4
140.01160	4.8
141.01971	2.8
145.02948	1.4
150.99211	0.8
151.00386	14.3
153.01933	1.2
161.04555	1.4
163.04016	4.6
165.01907	0.8
168.00626	5.1
169.01431	30.8
170.01781	1.3
205.05092	0.8
211.02594	0.7
217.15874	0.7
249.13536	0.8
313.05750	2.8
351.20132	0.8
411.09305	100.0
412.09235	5.2
412.12570	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	409.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	6.8
57.03463	4.3
58.00595	1.3
59.01387	41.8
69.03474	1.7
69.42265	4.5
71.01390	56.0
72.01720	1.2
72.13256	0.6
72.99308	2.0
73.02956	33.1
75.00882	2.3
81.03448	1.3
83.01395	14.3
85.02959	31.4
86.00117	1.8
87.00871	4.1
89.02455	12.6
90.47180	0.6
95.01398	4.6
95.83105	0.6
96.96004	0.8
97.02971	3.0
98.20601	1.3
99.00898	12.2
101.02456	66.3
102.02782	1.2
111.00911	2.0
113.02467	21.2
113.03268	1.2
115.04033	2.1
119.03509	0.7
124.38329	0.7
125.02461	4.3
129.01956	1.7
131.03520	3.1
133.02977	2.4
135.04460	0.9
135.32176	0.7
141.01973	0.7
143.03506	2.8
148.41179	0.6
149.04596	1.4
153.01938	0.7
157.12355	0.7
159.03003	4.2
161.02534	6.8
161.04568	22.1
184.32423	0.6
202.68022	0.6
205.03526	0.6
233.06691	4.0
277.16580	100.0
278.16943	8.7
284.54929	0.8
293.08752	1.5
321.15598	1.1
409.15298	4.3
409.20792	84.3
410.09210	1.2
410.15921	1.2
410.21124	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	411.0243
Annotation	Turgorin
Peak:m/z	Relative Intensity
59.01376	1.2
69.03467	0.5
69.45731	3.0
71.01385	2.7
73.02933	0.5
79.95741	3.7
80.96532	3.3
85.02944	0.7
87.00880	0.8
89.02442	0.5
95.95243	0.5
96.96023	100.0
97.02940	0.6
99.00912	0.6
101.02444	1.4
113.02441	0.9
122.97581	0.6
125.02465	13.5
138.97084	9.2
143.03487	0.7
150.97090	1.5
154.98174	0.4
164.98666	0.8
168.98201	1.0
169.01443	20.1
170.01862	1.1
180.98132	0.5
197.04709	0.5
222.99158	1.8
241.00264	63.1
242.00565	2.7
331.06815	2.1
367.03516	0.6
372.47375	0.5
411.02396	40.0
412.02701	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	409.1507
Annotation	Iandonone
Peak:m/z	Relative Intensity
55.01881	0.3
57.03453	0.3
59.01394	1.5
65.27121	0.2
69.45542	0.5
69.45969	0.6
71.01389	3.0
71.05026	0.5
73.02958	0.9
73.06613	0.2
75.00876	0.2
77.53581	0.2
83.01410	0.7
83.05043	0.5
85.02953	2.1
89.02467	0.4
95.01396	0.4
99.00912	0.4
101.02448	1.7
101.06096	1.1
113.02483	1.1
117.03477	27.8
118.03780	1.0
119.05033	5.3
121.02984	0.3
123.04529	0.4
145.02965	100.0
146.03296	4.8
153.05594	0.7
161.04530	0.3
163.04022	6.5
164.04315	0.4
169.36205	0.2
171.51295	0.2
187.13454	0.3
200.52295	0.2
236.63104	0.2
325.23242	0.2
330.73978	0.2
389.85831	0.2
409.15060	38.0
410.15393	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1872
Annotation	Sarcaglaboside A
Peak:m/z	Relative Intensity
55.01888	2.3
57.03451	3.8
58.00591	2.8
59.01385	57.7
61.98833	4.2
68.85917	1.4
69.03471	1.7
71.01385	23.2
72.13766	1.2
72.99310	3.8
78.66948	1.3
79.05532	1.2
81.03468	2.3
83.01395	12.3
83.05008	1.6
85.02966	6.9
89.02457	17.6
95.01397	3.0
96.96014	1.7
97.02937	1.5
97.06630	2.7
98.19863	3.2
99.00879	2.1
101.02457	9.5
107.05050	2.7
113.02466	13.3
117.03477	6.1
119.03492	6.7
119.05032	5.5
119.08640	2.2
121.02952	1.9
121.06606	4.4
121.09264	1.5
121.10204	2.0
125.02455	4.3
135.08073	1.3
137.09741	45.9
143.08672	4.0
145.02969	22.1
147.07072	1.9
147.08180	20.9
148.08481	2.1
149.71861	1.3
161.02463	2.7
161.04628	2.8
161.09711	3.5
163.03995	4.5
163.11345	3.0
169.01372	1.8
171.08176	26.2
178.59045	1.4
179.05663	2.7
185.09756	3.8
185.13367	2.6
187.11298	94.4
188.11674	5.1
199.07652	2.5
201.12888	3.8
203.14418	89.5
204.14719	5.1
211.11394	2.2
227.14439	3.1
229.12329	46.1
230.12747	4.0
243.13934	1.6
245.15480	9.8
246.01707	2.5
247.13403	100.0
248.13779	9.0
257.15408	3.3
270.98965	2.0
271.13422	52.6
272.13638	7.0
289.14526	9.2
301.14423	3.1
313.14462	1.8
314.00723	2.9
322.28116	1.4
329.03235	2.9
336.01477	2.8
349.22318	2.6
350.03461	1.7
366.06210	7.5
409.14832	8.6
409.19739	1.8
410.08829	1.7
421.51935	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.1
69.44194	4.3
73.02952	1.4
85.30604	0.6
103.04023	2.8
106.04239	1.7
119.04998	0.8
125.02444	2.1
136.99170	0.8
146.03760	0.8
147.04515	1.6
161.02432	0.9
169.01453	3.3
172.51033	0.6
173.02449	1.8
175.04039	2.2
189.01900	1.6
189.16649	0.7
190.02736	22.1
191.03465	5.2
202.02800	0.8
203.03490	2.7
217.01425	19.1
218.02200	19.5
219.02792	2.5
225.33218	0.6
229.01396	0.8
246.01709	100.0
247.02464	77.8
248.02811	5.5
278.00751	1.2
289.04044	0.8
296.16586	0.6
300.99997	1.4
409.07785	95.3
410.08139	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.2
69.97989	2.0
71.01385	1.7
87.00872	0.6
89.02444	0.5
91.48090	0.5
99.00913	0.5
101.02441	1.3
106.04256	1.0
113.02469	1.4
119.03490	0.8
125.02439	2.3
133.02943	0.5
135.04588	0.7
145.02931	0.8
147.04515	0.8
157.39734	0.5
161.02443	0.6
161.04533	0.6
163.04004	0.9
169.01425	1.9
173.02412	1.7
175.04005	1.0
185.47008	0.5
189.01913	1.9
190.02742	14.8
191.03508	5.8
203.03415	1.0
217.01427	17.3
217.03532	0.9
218.02200	16.8
219.02960	3.3
229.01390	0.5
245.00958	0.5
246.01714	61.4
247.02477	94.6
248.02791	6.9
278.00800	0.5
289.04221	0.6
303.49817	0.6
324.77063	0.5
332.48276	0.7
377.33533	0.5
409.07791	100.0
410.08127	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	409.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34143	0.4
55.01865	0.7
59.01386	2.2
61.98814	0.7
71.01387	4.4
71.05001	0.8
71.56828	0.6
71.57248	0.6
73.02957	1.6
83.01395	0.9
85.02953	2.4
89.02467	1.0
95.01433	0.6
96.44658	0.4
99.00900	0.8
101.02447	3.8
101.06083	1.0
113.02460	1.1
117.03479	25.0
118.03805	1.4
119.05036	4.8
145.02966	100.0
146.03317	5.3
160.85062	0.4
161.04588	1.0
163.04028	6.9
164.04254	0.4
211.13423	0.5
263.15002	2.7
274.16177	0.5
345.13535	0.4
409.15088	38.6
409.20383	1.9
410.15448	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	407.2231
Annotation	NIMBOCINOL
Peak:m/z	Relative Intensity
59.01380	1.7
65.00304	0.8
71.27338	1.4
78.95917	1.6
79.73554	0.7
83.01414	1.3
85.38173	0.8
115.35177	1.0
119.05034	1.8
126.46149	0.9
138.03239	2.4
145.02905	1.0
151.00409	1.4
151.04028	3.0
152.99646	1.5
163.04013	8.1
165.01918	2.2
166.02727	22.4
173.06134	3.0
177.01924	2.4
179.03520	3.0
183.01268	2.4
183.19701	0.9
189.02005	6.6
191.03523	22.9
191.05164	1.8
191.07199	0.9
192.03937	1.1
204.04311	2.2
205.04921	0.8
219.06587	2.4
234.08997	2.6
247.09818	1.8
253.08609	1.4
267.10242	1.9
270.08972	11.0
271.09439	1.5
277.08771	11.6
278.09280	1.0
281.08203	2.0
283.09845	13.0
295.09781	83.1
296.10129	9.5
301.00107	1.0
323.12909	4.8
325.18460	5.5
337.14474	2.1
338.15250	9.5
339.15848	1.6
363.23276	1.9
406.30084	0.9
407.22339	100.0
408.22653	13.7
420.06616	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
65.17104	0.8
66.88731	0.7
71.01376	3.6
71.57349	1.0
73.02960	1.2
74.91527	0.8
83.01377	0.9
85.02989	1.6
89.71127	0.8
101.02473	2.2
113.02498	1.2
114.13039	0.8
145.02904	0.9
148.79396	0.8
161.04527	0.9
164.60396	0.8
205.93733	0.8
236.28851	0.8
247.02519	3.3
268.66055	0.9
300.99835	1.7
336.40216	1.0
347.24338	2.3
407.18768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.9876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41939	0.4
59.01389	3.3
59.05437	0.5
61.98812	0.6
62.44352	0.5
69.30712	4.3
69.31062	0.8
71.01402	2.3
73.02943	1.2
83.01398	0.5
84.23675	0.5
85.02960	1.3
89.02454	0.7
98.19939	1.1
99.00876	1.0
101.02457	2.9
113.02501	1.0
117.03485	0.9
119.05032	0.6
120.92817	0.4
145.02969	2.6
161.04585	1.4
242.99368	1.6
270.98865	36.1
271.99207	3.7
277.16611	3.8
277.93771	0.5
283.99588	0.8
285.00470	1.2
286.01291	0.7
298.98349	54.9
299.98669	4.2
312.99826	2.1
314.00717	77.2
315.01044	6.9
329.03052	100.0
330.03394	9.7
408.98740	4.7
409.15036	1.3
409.20834	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	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39141	0.3
55.01887	1.2
57.03470	0.9
58.00599	4.2
59.01386	100.0
60.01711	0.9
69.03468	2.3
71.01390	47.0
71.05038	0.4
72.01730	0.5
72.99315	4.7
73.02957	33.8
74.03291	1.0
75.00867	0.9
81.03460	0.9
83.01392	4.4
83.05041	0.4
85.02959	15.7
86.00120	2.1
87.00887	10.7
87.04515	4.9
89.02455	43.3
90.02778	0.6
93.03482	1.9
93.60646	0.4
95.01407	1.6
97.02969	1.3
98.20670	1.0
99.00903	1.2
99.04540	0.5
101.02457	55.4
102.02818	1.3
103.04024	23.2
109.02972	0.3
113.02460	8.5
114.02805	0.4
115.04018	8.3
119.03514	17.5
120.03857	0.4
123.00910	1.1
125.02468	5.4
127.04041	1.7
131.03522	12.0
132.03804	0.4
143.03514	14.7
144.03816	0.4
145.05090	6.7
149.02509	0.5
149.04559	0.9
151.00345	0.8
161.04581	1.9
163.06145	44.4
164.06479	1.5
169.01427	3.7
174.18730	0.4
179.05632	3.6
185.11879	1.1
205.07188	28.4
206.07571	1.1
244.07431	0.4
245.13966	1.9
261.13394	0.8
265.09341	1.7
313.05508	1.0
407.09952	6.2
407.18869	3.2
408.10461	0.6
408.20032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55212	0.5
56.86269	0.6
59.01386	100.0
60.01713	1.1
69.45177	4.2
71.01397	8.8
73.02967	1.2
78.95912	7.0
81.08089	0.6
85.02988	1.8
87.96704	0.5
89.02457	2.8
93.88020	0.6
95.01382	0.9
95.73201	0.6
97.02951	0.9
101.02450	3.5
103.04041	2.1
113.01805	0.6
113.02496	2.4
119.03561	0.9
125.02513	0.7
161.04626	0.8
179.81810	0.5
202.12482	0.9
213.06830	0.5
234.73970	0.6
247.08275	5.2
265.09247	3.1
335.01889	1.3
336.02036	0.8
349.03552	0.9
350.03543	1.2
364.01633	0.9
364.06067	0.7
379.03613	2.0
407.22208	1.6
407.26895	1.2
408.07294	9.6
416.56601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39141	0.3
55.01887	1.2
57.03470	0.9
58.00599	4.2
59.01386	100.0
60.01711	0.9
69.03468	2.3
71.01390	47.0
71.05038	0.4
72.01730	0.5
72.99315	4.7
73.02957	33.8
74.03291	1.0
75.00867	0.9
81.03460	0.9
83.01392	4.4
83.05041	0.4
85.02959	15.7
86.00120	2.1
87.00887	10.7
87.04515	4.9
89.02455	43.3
90.02778	0.6
93.03482	1.9
93.60646	0.4
95.01407	1.6
97.02969	1.3
98.20670	1.0
99.00903	1.2
99.04540	0.5
101.02457	55.4
102.02818	1.3
103.04024	23.2
109.02972	0.3
113.02460	8.5
114.02805	0.4
115.04018	8.3
119.03514	17.5
120.03857	0.4
123.00910	1.1
125.02468	5.4
127.04041	1.7
131.03522	12.0
132.03804	0.4
143.03514	14.7
144.03816	0.4
145.05090	6.7
149.02509	0.5
149.04559	0.9
151.00345	0.8
161.04581	1.9
163.06145	44.4
164.06479	1.5
169.01427	3.7
174.18730	0.4
179.05632	3.6
185.11879	1.1
205.07188	28.4
206.07571	1.1
244.07431	0.4
245.13966	1.9
261.13394	0.8
265.09341	1.7
313.05508	1.0
407.09952	6.2
407.18869	3.2
408.10461	0.6
408.20032	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.9
57.03448	0.8
57.18501	0.4
59.01386	11.2
68.99827	1.0
69.03461	1.5
69.56724	0.8
69.57128	2.3
71.01391	21.7
72.99316	1.0
73.02956	5.0
74.99126	0.5
83.01400	4.4
85.02963	6.7
87.00894	1.7
89.02439	2.5
93.03471	66.6
94.03809	2.0
95.01405	3.0
96.99327	1.8
97.02968	5.9
99.00894	2.0
101.02458	13.4
108.02187	2.7
111.91069	0.4
113.02475	6.8
118.30978	0.4
119.05049	1.2
121.02963	2.7
123.00910	0.6
123.04571	0.6
125.02466	16.9
126.02811	0.7
131.05051	0.4
135.04549	0.7
136.01685	3.3
136.35376	0.4
137.02467	100.0
138.02805	4.5
143.03543	1.0
145.02922	0.6
147.04575	1.4
149.02431	0.8
151.04053	2.4
159.03008	0.8
161.04593	2.4
163.04027	1.0
169.01520	0.6
179.03548	1.2
185.11855	0.9
191.03476	2.2
201.05666	1.1
209.04596	0.9
221.04614	1.3
245.04570	0.5
275.15173	2.5
281.06699	94.3
282.06985	7.3
359.14908	0.9
407.09866	41.4
407.19165	4.5
408.10083	5.1
408.19836	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.7
60.18094	1.2
65.99857	1.9
69.51569	4.3
69.51980	4.6
70.63732	1.2
71.01393	3.9
72.99321	1.9
73.02944	1.5
82.02987	10.1
83.01403	1.7
85.02953	2.1
89.02435	3.4
90.18365	1.5
92.65094	1.2
94.03007	6.9
95.01393	1.9
101.02447	2.5
106.02940	1.6
109.02967	1.6
113.02448	3.2
119.04999	1.6
125.02475	2.8
132.04668	1.8
136.03984	1.8
138.02002	6.3
146.06104	2.0
152.71654	1.2
160.04138	1.5
160.07683	1.6
161.04642	1.8
162.04401	2.7
162.05624	1.7
164.03575	8.9
165.01917	2.6
167.84473	1.3
169.01393	2.2
172.07733	1.5
179.03453	3.5
180.04129	1.7
186.05635	1.8
188.07173	3.4
189.06575	1.8
191.04617	1.7
196.05943	1.4
199.05165	1.8
202.08778	4.9
204.05200	1.7
212.03687	1.4
216.05020	6.8
216.06908	2.8
216.10287	1.7
217.02690	7.8
217.06163	9.4
218.06717	2.7
227.04604	1.5
228.06680	2.8
229.06010	8.2
230.03461	1.8
230.06903	4.9
231.07741	12.2
232.08488	4.8
241.06190	2.0
242.03279	3.1
243.04144	19.5
243.07822	4.5
244.04918	14.2
244.09865	13.2
245.05139	1.6
245.09370	7.6
248.09247	4.7
249.05046	2.6
256.04926	6.0
257.05673	17.7
257.09296	2.3
258.06436	8.4
259.07230	40.8
259.10788	8.5
260.07394	2.3
269.09357	2.6
270.07159	1.2
271.07275	25.7
272.07751	2.6
273.00473	1.6
275.02039	2.1
282.06158	1.5
285.05283	1.4
285.08829	4.6
287.10388	77.8
288.08655	5.5
288.10983	4.9
289.08652	1.8
291.10022	9.4
292.10330	1.7
295.07297	1.7
298.05896	2.7
300.99902	6.3
302.00229	2.1
303.09589	1.5
313.08313	100.0
314.08633	11.6
329.10559	1.5
331.09384	55.8
332.09818	6.9
335.08771	2.3
345.10831	8.8
346.11551	1.3
347.17352	1.6
357.07358	2.5
359.15012	3.5
375.08286	20.2
389.09900	3.6
390.56985	1.7
390.83115	1.2
407.10892	56.6
407.18716	4.6
408.10818	7.8
408.16757	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	407.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
57.03451	1.9
59.01385	47.0
60.01728	0.8
60.71852	0.6
61.27773	0.7
62.63368	0.6
64.58507	0.7
67.01891	1.0
69.03441	0.7
71.01388	16.6
71.33877	1.7
71.77596	0.7
72.99323	1.7
73.02957	8.2
79.01900	1.4
83.01418	1.9
85.02953	6.6
87.00880	2.9
87.04511	1.0
89.02448	12.1
93.03467	28.9
94.03801	1.1
95.01384	3.3
97.02902	1.1
99.00869	1.0
101.02454	15.3
103.04045	5.5
107.01403	8.1
111.00871	1.3
113.02472	4.5
115.03997	2.1
119.03526	4.3
121.02980	1.0
121.31122	0.7
123.00903	12.9
124.01689	1.1
125.02460	39.9
131.03496	2.5
136.98820	1.8
139.00383	5.7
140.01147	3.6
141.01927	2.3
143.03491	4.2
145.05042	1.6
151.00380	10.9
153.01941	0.9
161.04558	2.5
163.06126	8.5
168.00653	2.7
169.01442	50.8
170.01733	2.9
179.05605	1.0
185.11852	13.7
195.19223	0.7
205.07225	6.6
211.02446	0.8
245.01041	0.8
313.05682	13.1
314.06094	1.2
407.09854	100.0
408.10196	12.3
416.19559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0751
Annotation	Prostalidin B
Peak:m/z	Relative Intensity
59.01390	22.0
60.55896	1.1
67.01903	1.7
68.92784	0.9
70.70795	2.3
71.01399	5.8
72.99319	1.2
73.02930	1.3
74.48454	0.9
83.01409	1.3
85.02951	2.7
87.00865	2.1
89.02435	3.2
95.01375	3.2
95.08934	1.2
99.00857	1.3
101.02451	5.3
107.01405	5.7
111.00874	3.7
113.02451	3.5
119.03503	1.6
123.00896	18.2
124.01735	1.9
125.02468	24.0
126.02798	1.6
136.99068	1.6
139.00401	7.7
140.01180	5.1
141.01924	2.0
151.00403	13.8
161.04547	1.8
165.05573	1.9
168.00612	4.6
169.01445	31.8
170.01793	1.9
179.03369	1.0
180.84285	0.9
181.05095	1.2
209.04512	2.7
211.02341	1.1
215.12956	0.9
227.12926	1.6
240.11418	1.1
241.03595	1.0
245.13713	0.9
251.05560	1.4
259.07266	2.4
287.10327	3.7
301.00006	1.5
313.05325	2.2
313.06128	1.2
313.08670	5.3
331.09369	4.3
347.17093	3.1
371.09833	23.0
372.10129	2.4
407.07474	100.0
407.19037	4.1
407.26611	2.4
408.07874	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	406.9718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01360	0.7
69.35708	0.9
69.36122	3.1
72.87837	0.4
73.70112	0.4
79.84502	0.6
79.88774	0.4
80.44371	0.4
86.48413	0.5
86.50577	0.4
87.13534	0.4
104.02686	0.5
111.67196	0.5
116.02682	0.5
132.02162	1.6
138.48325	0.4
144.02238	0.6
145.99884	0.4
156.02185	3.2
160.01630	1.3
164.01225	0.5
172.01668	1.3
176.01202	0.6
184.01720	5.2
188.01120	0.6
200.01147	5.1
212.01196	4.0
216.00548	0.4
228.00679	3.7
232.00493	0.5
240.00650	13.5
241.00935	1.1
254.99295	0.8
256.00146	3.6
282.99011	1.5
283.99683	9.3
285.00085	0.8
311.99142	96.4
312.99539	8.2
327.01483	100.0
328.01807	10.0
406.97150	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	405.1684
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
51.68327	6.3
52.77886	6.0
59.01389	100.0
61.98836	52.5
63.89611	6.0
70.18845	12.1
70.19197	19.2
71.01385	28.6
85.02969	9.4
89.02437	13.8
93.03452	8.4
101.02455	11.6
101.24269	7.4
113.02445	13.2
118.52901	6.2
120.63994	5.9
123.04492	18.2
137.09691	10.2
145.02983	6.4
149.02475	7.8
150.03246	13.1
155.10809	65.3
161.04596	7.0
165.05533	16.5
199.07733	7.7
199.09741	11.6
262.48096	7.5
267.93030	6.8
281.06699	21.3
405.12192	9.1
405.17462	73.7
405.20712	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	405.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56714	0.8
55.01875	1.0
57.03448	1.1
58.00587	1.2
58.09188	0.8
59.01386	100.0
60.01712	1.0
67.01861	0.8
69.03445	0.9
71.01392	20.4
71.05007	0.9
71.56777	1.1
73.02959	9.5
75.00878	0.9
81.03497	1.1
83.01385	2.3
85.02957	7.1
87.00859	1.8
88.98852	1.3
89.00629	0.9
89.02454	16.0
93.03477	6.2
95.01405	2.9
95.05011	1.9
97.02995	1.3
99.00906	1.9
99.04501	1.2
101.01877	1.3
101.02466	14.4
109.44241	0.9
113.02471	9.6
119.03526	9.1
119.22129	0.8
123.00937	1.6
123.04540	20.4
124.01698	1.3
124.04736	1.0
125.02435	1.8
125.09705	1.2
128.14569	0.9
137.02460	11.6
137.09792	1.2
139.03999	1.6
139.11296	6.6
143.03500	1.5
145.02960	1.2
147.97804	0.8
149.02440	0.8
149.04501	1.1
151.00342	5.2
151.04031	1.4
161.04495	4.6
163.03964	1.1
166.02737	7.9
167.03287	1.1
173.02354	1.4
174.03276	0.9
175.03984	1.4
175.43176	0.8
179.05621	2.3
179.37654	0.9
181.05099	6.9
181.12314	2.4
183.10280	55.4
184.10637	4.5
189.70924	0.7
190.06479	1.7
190.67964	0.8
191.07236	0.8
197.11958	0.9
199.13345	1.6
205.05287	1.0
207.10233	1.5
225.11256	1.6
225.15115	1.0
243.12386	8.0
243.15996	2.5
244.09756	1.8
262.02722	0.9
269.04544	3.1
281.06705	13.4
297.04001	2.3
300.99771	2.3
312.06360	3.7
327.08768	5.0
327.12344	1.9
334.01056	5.0
342.11218	5.8
357.13474	15.3
358.13779	1.9
362.00494	2.6
363.01193	1.2
375.14493	2.4
405.01102	15.3
405.12045	10.5
405.16519	1.5
405.18115	1.3
405.21536	7.1
406.01428	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1685
Annotation	Honyucitrin
Peak:m/z	Relative Intensity
59.01387	100.0
60.58289	6.2
69.32837	45.4
69.33244	13.2
71.01389	27.7
73.02961	6.1
75.00874	10.9
83.40468	7.3
89.02456	19.9
101.02469	9.3
102.33208	6.5
113.02510	6.9
119.03480	11.9
133.11449	7.1
147.79846	6.6
199.07767	9.2
199.13232	7.1
405.16730	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	405.1195
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02365	1.0
55.01871	0.9
59.01393	5.2
68.75182	0.7
68.99826	0.9
69.03464	50.7
69.52654	1.3
69.53065	4.7
70.03819	1.4
71.01397	3.9
73.02931	1.0
73.19014	0.7
77.42014	0.7
79.01899	38.8
81.03454	2.3
83.01376	1.3
85.02954	3.3
89.02457	1.5
91.99538	0.8
93.03475	3.8
95.01401	8.6
96.08585	0.8
97.02968	29.0
98.03281	1.1
99.00848	1.0
101.02455	2.8
107.01401	73.8
108.02253	7.0
109.02328	1.1
109.02978	12.7
111.81879	0.8
113.02483	2.2
121.02988	6.2
122.03753	0.9
123.00906	14.3
123.04494	0.7
125.02466	45.0
126.02778	1.1
133.02960	2.9
133.66704	0.7
134.03760	1.6
135.00891	3.4
135.04546	1.9
136.01700	7.0
137.02473	6.1
139.99783	0.8
149.02457	5.3
151.00394	72.7
151.63014	0.8
152.01048	4.1
153.01961	25.8
154.02286	0.9
161.02373	1.1
163.04034	9.0
165.01860	0.9
177.01982	12.0
179.03548	1.5
194.02287	0.8
197.06096	5.5
198.06790	1.0
199.07649	1.6
207.03020	1.7
213.05624	1.3
215.07062	1.0
219.03017	0.9
229.78189	0.8
240.23930	0.8
242.05875	100.0
243.06581	55.7
244.07030	4.9
255.06671	1.1
284.28647	1.0
285.07687	5.5
297.06146	18.7
298.06540	1.9
382.45377	0.8
391.10913	0.8
405.11932	37.9
405.20612	1.5
406.12241	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	405.1196
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
52.55369	0.2
59.01388	4.4
65.00322	0.5
66.45557	0.3
70.71484	0.6
75.00880	0.4
80.02679	0.4
82.98613	0.3
91.01908	14.1
92.02256	0.8
93.03467	1.7
95.01394	0.4
105.74120	0.3
107.01431	0.3
107.05060	0.6
108.02190	19.5
109.02992	4.5
114.21121	0.2
116.81254	0.2
121.02971	0.7
123.00900	6.0
124.01652	0.4
125.74084	0.3
135.00905	15.6
136.01253	0.7
137.02461	6.5
137.03508	0.3
138.02864	0.4
152.01172	16.7
152.91785	0.3
153.01599	0.8
169.06599	0.3
197.06117	1.5
199.07756	0.5
213.05629	1.1
215.07173	0.9
216.43657	0.3
221.76375	0.3
243.06641	100.0
244.06987	9.4
311.31186	0.2
317.55255	0.3
368.97534	0.3
404.80780	0.2
405.00906	0.3
405.11847	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	405.1192
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
59.01382	4.0
65.00331	1.1
65.03960	2.6
67.01894	1.7
69.56519	3.4
71.01390	1.5
73.02961	0.5
76.39149	0.5
79.09599	0.7
85.02950	0.6
89.02461	0.9
91.01904	43.3
92.02224	1.3
98.19962	1.0
101.02457	1.1
107.05029	2.2
108.02185	2.7
109.02962	28.0
110.03370	0.6
111.15001	0.6
112.61668	0.6
113.02448	1.1
121.02960	1.6
133.02998	0.7
135.00899	100.0
136.01173	3.6
137.02434	3.6
149.02446	1.2
151.04019	0.9
151.92154	0.6
153.01952	88.4
154.02299	3.5
161.02452	0.7
161.04539	0.6
175.04012	3.6
177.01974	3.7
189.04457	0.6
197.06123	1.1
216.93031	0.5
225.05635	1.1
243.02951	0.7
243.06635	14.4
244.06966	1.0
251.46591	0.5
267.06927	0.7
297.06198	12.4
298.06583	0.9
405.11963	9.4
405.21326	1.2
406.12436	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1192
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02382	0.9
55.01884	1.0
59.01379	1.4
69.03461	54.8
70.03806	1.0
71.01396	2.2
73.02940	0.7
79.01895	27.7
81.03470	2.2
83.01425	0.6
85.02948	2.3
93.03432	0.7
95.01389	7.8
97.02957	30.5
98.03272	0.7
99.04539	0.5
100.22227	0.5
101.02457	0.9
107.01399	62.9
108.02266	5.2
109.02991	5.5
113.02451	1.4
119.04990	0.5
121.02938	3.7
123.00892	15.5
125.02454	59.1
126.02830	1.9
133.02980	1.8
134.03720	1.0
135.00899	19.3
135.04523	2.1
136.01674	5.0
137.02449	3.0
149.02449	2.8
151.00378	76.1
152.01160	7.8
153.01949	23.8
154.02316	1.0
161.02408	0.6
161.04541	0.6
163.04004	5.8
165.01953	0.6
175.03992	0.8
177.01929	8.0
178.02350	0.8
189.01976	0.6
191.03535	0.7
197.06076	1.4
198.06815	1.2
207.03023	1.2
219.03033	0.7
225.05460	0.8
242.05861	100.0
243.06561	33.7
244.06949	2.1
285.07733	3.9
297.06055	6.6
334.01352	0.8
364.60529	0.6
405.11902	40.4
406.12271	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	404.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.8
58.02983	11.2
59.01387	31.2
60.01710	3.7
68.05070	1.9
71.01389	13.1
72.00898	2.7
74.02481	26.5
78.64558	1.9
78.95921	12.0
79.42097	1.8
79.69769	1.7
82.03001	2.8
83.01383	3.1
84.04543	2.0
85.02950	5.8
85.04099	2.1
86.02490	12.2
86.11310	1.9
87.05618	7.9
89.02440	6.2
90.00185	2.3
93.05920	1.6
96.96098	1.7
97.04066	3.2
98.19879	3.9
99.00846	2.2
99.05653	20.7
101.02438	8.1
101.07199	2.7
102.05584	2.4
107.01431	4.0
109.04086	4.5
109.07730	2.2
111.00864	4.9
112.04029	5.3
113.02474	4.0
117.97433	1.7
123.00891	11.0
123.05677	2.6
124.01210	3.5
125.02438	10.7
125.03455	3.0
126.02792	5.9
127.05124	4.8
128.03555	60.0
129.03839	2.2
131.04660	3.6
134.04721	4.4
135.05632	5.0
139.00369	4.0
140.00993	1.7
141.06694	6.9
143.04636	89.2
145.06168	1.9
146.04564	6.1
151.00417	9.8
152.00740	5.1
153.06697	8.4
159.35820	1.8
160.00778	22.8
166.09846	2.4
167.04549	5.0
167.08208	2.5
168.00679	2.2
169.01483	10.7
170.01859	9.3
170.03081	3.3
177.03406	8.0
179.04626	14.5
181.06274	2.6
185.05699	2.5
196.09853	1.7
197.05717	3.2
210.08803	15.4
214.23859	1.8
239.14063	1.9
254.07832	22.4
272.08896	37.8
273.09320	2.4
284.20395	2.1
288.06610	11.4
306.07675	100.0
307.08008	7.5
404.12784	91.5
405.13492	8.9
405.17633	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	403.1975
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
52.50181	1.0
55.01873	1.8
55.58982	1.0
57.03445	3.0
58.00593	4.1
59.01385	100.0
66.28657	1.1
69.55514	6.7
71.01388	61.7
72.99295	2.6
73.02946	9.8
78.95902	2.3
83.01386	4.8
85.02962	16.3
87.00895	3.8
89.02451	56.0
90.02787	1.2
90.73735	1.2
90.92882	1.1
95.01410	5.0
99.00899	3.6
101.01791	2.4
101.02453	44.5
102.02752	1.7
109.03088	1.1
113.02457	28.3
119.03513	24.2
125.02430	2.5
131.03528	2.7
133.10281	2.3
142.58659	1.3
143.03502	4.7
159.02972	3.2
161.04568	16.4
161.09683	6.5
163.11295	3.6
164.11650	1.1
179.05611	7.9
179.10756	1.4
181.08734	5.2
212.76781	1.2
223.09819	3.1
223.13409	86.2
224.13748	7.2
225.14899	1.3
241.10822	5.1
241.14476	15.1
242.14856	1.3
271.70441	1.1
300.99786	1.9
359.04053	2.0
359.17059	2.8
359.20941	1.9
402.92807	2.2
403.19754	74.7
404.20087	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	403.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.8
57.03453	0.9
58.00597	1.4
59.01386	100.0
60.01717	1.7
67.01897	3.2
69.03436	0.7
71.01392	22.2
72.74298	0.8
72.99312	2.0
73.02963	2.5
78.95908	5.0
83.01417	1.3
85.02966	5.3
87.00909	2.0
89.02453	23.2
95.01410	1.7
96.96040	1.7
96.96993	1.5
97.02968	1.1
99.00925	0.7
101.02448	10.9
108.02261	0.7
111.00885	9.0
113.02451	7.6
114.17038	0.7
115.00403	0.9
119.03505	10.4
125.02482	3.4
129.05574	1.1
131.03554	1.2
132.04585	1.1
134.04767	1.6
137.09775	0.7
138.44254	0.6
141.02005	0.7
143.03531	2.8
147.06613	1.0
149.34602	0.7
158.02554	1.2
161.04549	7.6
163.11353	0.9
169.01479	1.2
171.70355	0.9
174.01727	4.1
174.05650	1.7
175.02489	1.4
176.03474	1.0
179.05653	5.1
179.10783	4.2
180.11212	0.9
190.05115	0.9
197.11896	2.5
223.13510	0.9
239.12158	0.8
241.10934	4.8
283.11072	3.0
301.00116	2.2
302.00885	1.4
307.08304	2.3
309.08731	0.7
319.50818	0.7
327.09918	7.6
343.17563	9.4
359.12860	1.0
359.16876	1.1
371.08914	2.2
385.14264	1.2
385.18896	1.4
403.03226	2.2
403.11569	6.6
403.19977	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
58.00603	1.1
59.01388	71.9
59.60843	1.0
69.03442	1.6
69.50333	1.0
71.01394	22.0
72.99327	1.5
73.02967	7.0
78.95911	3.1
79.01913	1.2
80.75606	1.0
81.03474	1.0
83.01394	3.5
85.02969	7.8
87.00881	3.0
89.02453	8.6
95.01411	5.4
97.02950	1.7
99.00892	3.0
101.02461	16.4
102.02735	1.1
107.01396	4.8
107.05030	2.3
109.06594	1.5
111.00906	3.2
113.02450	10.1
119.03477	2.9
121.06615	3.3
123.00897	19.5
124.01730	1.7
125.02462	21.5
131.03542	2.6
136.98798	2.5
138.35342	1.0
139.00342	6.2
140.01157	3.8
141.01869	1.5
145.06627	3.1
151.00392	12.9
152.00684	1.2
159.03006	1.5
161.04634	5.8
161.09746	3.1
163.07655	4.5
166.99866	1.1
168.00644	4.0
169.01431	29.3
179.10771	2.4
179.70906	1.2
181.04979	1.7
181.08789	2.9
221.06543	1.9
299.98785	1.0
313.05637	1.7
403.12265	80.7
403.16180	100.0
404.12527	8.6
404.17200	14.0
408.62070	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91875	0.7
53.00515	0.7
55.01882	1.7
57.03458	1.3
59.01387	69.7
60.01704	1.0
61.98843	1.0
67.01894	2.0
69.03457	2.2
69.36723	2.1
69.37145	3.7
71.01013	1.3
71.01392	22.0
72.99319	1.7
73.01855	0.7
73.02953	5.5
75.00892	1.0
78.95906	4.9
81.03457	0.9
83.01394	3.3
85.02957	7.8
87.00874	2.2
89.02450	7.8
95.01388	2.9
96.96974	1.4
97.02955	1.7
99.00893	3.9
101.02455	13.4
107.01366	2.7
107.05038	0.9
109.02951	1.3
109.06625	0.8
111.00880	2.6
113.02462	8.4
119.03516	3.5
119.05036	1.0
121.06590	3.8
122.73351	0.7
123.00887	8.0
124.01688	1.1
125.01548	1.0
125.02454	13.5
131.03514	1.6
134.04800	1.1
137.02432	1.9
139.00420	4.8
140.01175	2.7
141.01924	0.9
145.06589	3.5
149.05968	0.9
151.00357	6.9
151.07669	0.8
153.01991	0.7
161.02477	0.9
161.04567	4.1
161.05714	0.8
161.09715	2.6
163.00409	1.5
163.04045	0.8
163.07657	5.1
164.04869	1.0
165.01910	3.1
166.99818	1.2
168.00616	2.2
169.01442	16.2
170.01752	1.4
179.05597	1.3
179.07121	1.3
179.10785	1.6
180.07913	0.9
181.08694	3.2
193.01314	0.7
196.99229	1.0
209.00940	4.4
210.41290	0.7
211.02444	1.0
217.14302	0.8
221.06673	0.9
223.09682	2.8
229.21013	0.8
241.03583	3.0
290.04636	0.8
300.99860	0.8
313.05643	1.5
315.01294	1.1
403.12180	28.9
403.16083	100.0
404.12442	3.7
404.17059	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1532
Annotation	Glyinflanin D
Peak:m/z	Relative Intensity
55.01900	8.8
55.54269	9.0
59.01389	97.9
61.98838	20.8
69.57443	59.2
70.10363	8.5
71.01385	35.0
72.99291	8.6
78.95892	8.9
85.02981	13.1
89.02444	20.4
95.01427	10.5
99.00914	10.0
101.02431	19.0
113.02451	13.1
123.00909	13.7
125.02486	20.3
137.22893	9.1
139.00424	10.4
151.72234	9.0
169.01379	17.2
174.27303	10.0
188.08293	11.9
190.05112	15.1
239.11951	15.8
241.09961	9.0
242.08234	15.3
253.06131	9.3
283.10910	31.9
309.08749	11.3
312.27838	10.0
322.14008	37.8
327.09879	55.1
371.08762	47.1
403.15573	100.0
403.19894	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	403.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47585	0.5
55.01872	1.0
57.03413	0.6
59.01390	9.4
61.98809	0.4
66.03480	1.5
67.01885	0.7
67.40581	0.4
69.03455	0.6
71.01390	7.8
71.19255	0.6
71.19593	0.8
72.99307	0.7
73.02318	0.5
73.02953	2.8
74.02472	1.9
78.95911	3.6
79.01895	1.3
80.73739	0.4
83.01394	2.6
85.02946	4.6
86.02497	1.0
87.00864	1.0
87.05618	0.7
89.02453	2.5
95.01408	2.8
97.02983	1.1
97.04072	0.5
99.00896	1.2
99.05658	2.1
101.02436	6.6
107.01408	3.3
110.00137	0.5
111.00895	3.3
113.02455	2.9
117.97335	0.7
119.03533	0.7
123.00899	15.7
124.01662	1.4
125.02454	14.9
125.03294	0.3
126.02816	0.6
127.00372	1.5
128.03543	5.8
134.04774	1.0
135.04646	0.5
136.98813	1.9
137.02396	0.6
139.00395	6.4
140.01186	5.4
141.01930	1.8
143.04628	7.8
146.04552	0.6
151.00383	11.4
152.00758	0.8
153.01865	0.6
160.00743	2.0
161.04570	1.3
163.04120	0.7
167.04652	0.6
168.00644	5.9
169.01445	20.1
170.01768	1.4
177.03328	0.8
179.04620	1.7
197.10141	0.8
197.11896	0.7
210.08864	1.6
240.08943	0.7
241.09006	1.1
254.07851	2.9
272.08884	4.1
288.06857	0.7
306.04211	0.7
306.07648	10.2
313.05450	1.2
359.04208	0.7
365.21631	0.6
403.12445	100.0
404.12778	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.9
58.02971	0.6
59.01110	0.5
59.01387	8.8
59.64316	0.4
67.01881	1.6
69.03451	0.7
69.30040	3.5
71.01383	8.8
72.99307	1.2
73.02956	2.5
74.02480	1.6
74.73866	0.4
75.00891	0.5
77.47449	0.4
78.95907	2.9
79.01897	1.2
83.01396	1.9
85.02952	4.9
86.02477	0.7
87.00870	1.1
89.02454	3.1
95.01385	3.3
96.96976	0.4
97.02972	1.3
99.00879	1.3
99.05664	0.8
101.02448	6.5
107.01403	4.4
107.90053	0.4
109.08490	0.4
110.00095	0.6
111.00895	3.7
113.02480	3.2
117.97312	0.4
119.03516	1.2
123.00897	17.0
124.01680	1.6
125.02461	18.3
126.02758	0.8
127.00383	1.5
128.03542	3.5
129.80382	0.5
134.04752	1.0
136.98819	1.6
139.00386	6.3
140.01190	3.4
141.01947	2.6
143.04633	3.9
151.00383	12.6
153.02005	1.0
159.02985	0.6
160.00723	1.5
161.04568	1.6
163.00327	0.4
163.04016	0.6
165.01952	0.6
166.99828	0.6
168.00638	4.9
169.01439	21.9
170.01747	1.1
177.03436	0.7
179.04683	0.7
181.05127	0.5
181.08690	0.4
201.71016	0.4
206.59523	0.4
209.00967	0.4
210.08864	0.7
211.02469	1.6
211.13290	0.7
220.74571	0.4
237.20036	0.4
254.07919	1.4
261.03299	0.5
262.91467	0.4
271.04596	1.0
272.08783	2.0
274.01297	0.5
288.06622	0.7
306.07681	6.3
313.05649	1.8
373.18399	0.6
403.12436	100.0
404.12762	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54128	0.4
54.58725	0.4
55.01878	0.9
59.01105	0.7
59.01382	6.4
67.01884	1.1
68.15472	0.4
69.03465	0.5
70.24508	1.1
70.24900	0.7
71.01390	5.0
73.02956	1.6
74.02483	1.3
78.95930	0.8
79.01906	1.4
80.72845	0.4
82.74858	0.4
83.01391	2.0
85.02968	2.6
87.00901	0.6
89.02460	0.8
93.05924	0.4
95.01412	2.7
97.02991	0.7
99.00878	0.7
99.05628	0.6
101.02440	3.8
104.45177	0.4
107.01400	3.6
111.00853	2.8
113.02457	1.9
123.00902	15.5
124.01675	1.4
125.02465	15.3
126.02764	0.7
127.00380	1.1
128.03523	1.5
136.98792	2.0
139.00394	5.6
139.49922	0.4
140.01186	4.1
141.01967	2.2
143.04684	2.2
150.99191	0.7
151.00389	10.2
153.02000	0.7
160.00745	0.9
168.00648	3.7
168.70784	0.4
169.01453	16.7
170.01701	0.6
254.07869	1.3
272.08844	1.3
288.06583	0.5
306.07733	4.0
313.05688	1.4
377.04233	0.4
403.12479	100.0
404.12799	11.9
404.18185	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28067	0.9
55.01883	1.7
56.23368	0.8
59.01387	49.0
67.01891	1.9
69.03469	1.8
69.76032	4.8
71.01391	19.1
72.99306	2.0
73.02965	5.5
78.95918	5.0
79.01895	1.5
80.59995	0.9
83.01398	3.7
85.02952	9.0
87.00887	3.9
89.02462	8.3
95.01396	4.0
97.02990	1.2
98.19894	2.0
99.00879	2.7
101.02457	13.9
107.01395	5.2
111.00909	2.9
113.02457	7.4
115.00396	1.5
119.03529	2.4
121.06608	3.2
123.00900	21.2
124.01685	1.7
125.02459	20.3
128.92772	0.9
131.03549	1.8
132.84189	1.1
134.04781	1.6
136.98854	2.0
139.00374	5.7
140.01196	5.3
141.01962	1.6
145.06631	1.1
148.75569	1.0
151.00401	14.8
161.04562	2.6
161.09763	1.1
163.00371	1.2
163.07664	2.6
166.02699	3.0
166.99915	1.3
168.00684	3.6
169.01440	26.4
173.86073	1.0
175.02531	1.2
181.05067	3.0
186.47351	1.0
196.07390	1.2
198.23842	1.1
209.00943	1.3
211.02383	1.2
223.02357	1.1
241.10709	1.5
271.04733	1.5
300.99643	2.2
313.05759	1.3
403.12338	100.0
403.16306	48.5
403.54190	1.3
404.11896	8.7
404.17554	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	403.115
Annotation	Unknow
Peak:m/z	Relative Intensity
69.39665	9.8
69.40073	3.4
79.12931	1.5
104.24123	1.4
115.60231	1.4
122.06127	5.6
124.07671	1.4
130.03003	3.6
132.04585	14.8
141.86433	1.4
146.02420	1.8
147.03268	2.5
150.05580	3.3
153.01805	1.4
158.02524	8.4
160.04036	7.3
162.05573	2.5
174.05626	1.8
176.03535	12.5
176.07097	2.2
184.07710	2.1
190.05127	24.8
191.05617	1.8
192.06577	1.9
196.11299	2.0
201.06943	1.7
209.07285	1.5
211.12376	4.4
212.05779	1.8
212.10948	2.1
215.11858	5.2
220.02473	2.2
223.08858	3.4
224.07359	2.2
224.09538	13.4
225.08093	2.7
226.07542	2.4
227.08208	5.0
234.04097	1.7
238.08720	2.3
239.08229	3.8
239.11917	21.6
240.10217	5.3
240.12431	2.3
241.09851	6.7
253.06192	20.3
254.06772	3.7
255.07870	3.7
255.11395	5.4
265.09818	2.5
267.07886	7.0
268.08569	10.1
281.09290	6.3
283.10907	53.7
284.11203	3.6
309.08841	14.1
315.13510	3.1
327.09872	55.5
328.10132	5.3
341.11511	6.0
359.12399	6.8
371.08841	39.2
372.09137	4.9
403.11407	100.0
404.11758	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	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.6
59.01387	9.1
69.83484	0.4
71.01397	5.0
71.08550	1.2
73.02936	1.2
85.02970	2.4
89.02451	5.2
95.04464	0.6
95.96177	0.5
101.02438	1.8
108.02210	5.7
113.02477	3.8
119.03484	0.9
123.00891	0.5
129.18152	0.5
151.04095	0.6
161.04533	0.8
176.14375	0.4
177.12863	4.4
179.05681	0.5
191.14334	0.6
195.13919	100.0
196.14250	6.5
203.10793	1.3
209.15427	0.7
219.13956	1.8
221.11874	1.2
237.15096	0.9
239.12918	41.9
240.13219	3.3
253.14578	0.5
263.12891	3.1
263.17542	0.5
281.13931	1.3
305.13931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00596	1.0
59.01386	100.0
60.01723	1.3
61.98863	0.9
69.53275	2.9
69.65569	0.5
71.01389	22.0
71.01782	1.1
72.99321	1.5
73.02966	0.6
85.02968	2.5
87.00895	1.1
89.02455	32.7
90.02772	0.6
95.01408	1.2
101.02454	9.6
113.02459	7.9
119.03514	11.8
119.04333	0.7
125.02448	0.5
125.09803	0.5
131.03542	1.7
143.03481	2.8
149.04617	1.1
149.53957	0.5
161.04584	3.1
169.01440	0.5
179.05634	8.2
201.21693	0.5
213.36084	0.5
216.00873	0.5
239.09471	0.6
239.12982	1.8
299.99207	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	403.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
59.01397	6.9
69.36124	7.7
71.01395	2.4
73.02933	1.0
80.05048	2.2
83.01385	1.2
89.02442	1.4
90.77431	1.0
95.05087	1.0
101.02461	2.1
104.05050	1.6
108.04554	2.0
113.02422	1.0
117.06940	1.0
122.06137	7.3
124.07700	2.9
130.02992	2.5
131.03810	1.1
132.04565	17.6
133.04941	1.5
134.06108	0.9
146.06093	0.9
147.03241	4.3
148.04054	2.8
150.05605	3.2
158.02457	6.7
160.04068	12.0
161.04761	2.0
162.05605	3.5
174.05656	2.4
176.03540	7.3
176.07182	5.2
178.42522	1.0
183.09149	1.6
184.07780	2.0
190.05090	16.8
191.05728	2.0
196.11343	1.4
197.11674	1.1
198.04288	1.6
204.02995	1.7
209.07248	2.0
210.07690	1.0
211.06572	1.5
211.08513	1.1
211.12466	4.7
212.05965	3.4
212.10814	2.6
215.11896	4.5
220.02434	1.3
223.08794	3.7
224.07379	2.1
224.09503	11.4
225.06371	1.6
225.08150	1.3
225.09882	1.5
226.07481	3.1
227.08295	6.2
228.08774	1.1
234.04059	2.3
237.10355	1.6
238.08769	1.7
239.04637	1.5
239.08223	2.8
239.11920	24.6
240.10645	7.2
240.12471	1.7
241.09769	10.0
242.10260	1.5
250.07570	1.6
252.05455	2.2
253.06194	21.2
253.09009	1.5
253.10031	1.9
254.03273	1.4
254.06793	5.1
255.07774	3.7
255.11371	7.7
256.08423	1.8
265.09879	3.2
267.07751	8.5
268.08539	11.8
281.09308	9.2
283.10898	64.7
284.11243	5.3
294.06470	1.2
309.08829	23.5
310.09106	2.7
311.07034	1.3
315.13470	1.9
327.09885	56.1
328.10190	5.2
341.11395	4.5
353.07730	3.1
359.12311	5.8
371.08844	65.9
372.09125	7.4
385.10800	1.2
403.11475	100.0
404.11758	12.8
425.80994	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.182
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
50.97024	0.9
55.01876	1.9
56.34670	0.8
57.03462	4.1
58.00590	2.3
59.01388	47.5
60.85730	0.9
71.01392	26.2
71.04554	1.8
72.99318	1.5
73.02960	6.8
77.70293	0.8
81.62460	0.8
83.01391	4.9
85.02959	11.9
87.00871	3.3
89.02460	18.4
95.01405	2.9
96.96035	1.4
97.93301	0.9
98.95606	2.4
99.00890	3.0
101.02463	20.5
113.02451	9.0
119.03501	6.5
121.02979	3.6
121.06617	0.9
123.00841	1.5
123.08151	4.4
125.02438	4.6
135.04614	1.0
143.03572	1.1
151.11354	1.0
159.02936	1.0
159.11818	2.3
161.04561	3.7
161.09717	3.3
164.04787	1.3
166.99892	1.0
169.01416	6.3
172.01685	3.3
177.12898	9.5
179.07117	2.4
195.13860	2.0
200.01224	1.9
203.10757	1.9
216.00681	3.3
221.11870	11.2
228.00589	2.1
239.12979	1.7
242.99406	1.2
244.00096	3.7
263.18497	1.2
270.98911	2.6
271.99677	4.5
282.98825	2.6
298.98438	2.3
299.99146	37.0
300.99628	4.9
313.05731	2.6
354.91843	3.3
356.11398	0.9
382.91406	4.7
383.92062	7.6
384.92294	2.4
400.92468	25.3
401.11285	2.8
401.18198	100.0
401.92905	5.4
402.13181	1.3
402.18515	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	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00605	0.6
59.01387	9.1
69.83484	0.4
71.01397	5.0
71.08550	1.2
73.02936	1.2
85.02970	2.4
89.02451	5.2
95.04464	0.6
95.96177	0.5
101.02438	1.8
108.02210	5.7
113.02477	3.8
119.03484	0.9
123.00891	0.5
129.18152	0.5
151.04095	0.6
161.04533	0.8
176.14375	0.4
177.12863	4.4
179.05681	0.5
191.14334	0.6
195.13919	100.0
196.14250	6.5
203.10793	1.3
209.15427	0.7
219.13956	1.8
221.11874	1.2
237.15096	0.9
239.12918	41.9
240.13219	3.3
253.14578	0.5
263.12891	3.1
263.17542	0.5
281.13931	1.3
305.13931	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01886	1.1
58.09961	0.5
59.01382	5.6
67.01890	1.2
69.30531	4.6
71.01390	4.8
72.99295	0.6
73.02946	1.9
79.01912	1.6
82.00625	0.5
83.01396	1.6
85.02968	2.8
87.00867	0.8
89.02459	0.6
95.01401	1.8
97.02959	0.9
99.00883	0.8
101.02460	4.3
107.01402	3.5
110.00065	0.8
111.00883	3.5
113.02448	2.3
123.00899	15.7
124.01676	1.8
125.02462	15.0
126.02803	0.8
127.00377	0.9
136.98799	1.6
139.00401	6.7
139.36824	0.4
140.01184	5.2
141.01950	1.8
151.00386	11.7
153.01944	1.2
161.04575	0.7
168.00658	5.3
169.01447	16.4
170.01733	0.7
198.13797	0.5
200.07399	0.5
203.88531	0.5
205.01379	0.5
217.91379	0.6
299.99133	0.9
311.26141	0.5
313.05930	0.7
332.55969	0.6
401.14548	100.0
402.14832	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	401.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.8
57.03439	0.4
59.01384	4.4
64.36809	0.3
65.00350	0.4
65.08146	0.3
66.98324	0.3
67.01904	0.7
69.03455	0.4
69.47739	1.8
71.01395	4.6
72.04025	0.3
72.99316	0.6
73.02946	1.4
79.01900	0.8
81.03456	0.3
83.01391	1.1
84.39551	0.3
85.02970	2.7
87.00900	0.4
89.02456	0.9
95.01408	1.9
97.02981	0.4
97.79662	0.3
99.00911	0.5
101.02467	3.4
107.01408	2.6
110.00119	0.4
111.00905	2.8
113.02460	2.3
117.46333	0.3
119.03541	0.3
123.00906	13.6
124.01684	1.3
125.02471	15.1
126.02775	0.5
127.00393	0.8
136.98811	1.2
138.30841	0.2
139.00403	5.5
140.01187	3.6
141.01984	1.5
151.00385	9.7
151.04039	0.3
152.00725	0.4
153.01924	0.6
154.99887	0.3
161.04480	0.4
163.04024	0.3
166.66951	0.3
168.00645	4.4
169.01443	16.5
170.01794	0.8
181.05069	0.3
211.02487	3.8
265.02139	0.4
271.04611	1.8
299.99060	1.4
313.05701	1.1
400.92102	0.8
401.14545	100.0
402.14914	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	401.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01145	0.4
55.01876	1.0
58.00588	0.6
59.01387	4.1
60.19377	0.4
67.01881	0.7
68.99822	0.5
69.11556	0.4
71.01389	4.5
71.57343	0.7
72.45877	0.4
72.99299	1.1
73.02942	1.8
79.01901	1.4
80.67321	0.4
83.01400	1.8
83.08207	0.4
85.02938	3.0
89.02446	0.5
89.68626	0.4
95.01418	2.4
97.02930	0.7
97.46650	0.4
99.00896	0.9
101.02433	3.3
107.01404	3.1
110.00122	0.6
111.00883	2.8
113.02476	1.7
123.00900	15.8
123.04491	0.4
124.01714	2.1
125.02462	15.1
126.02918	0.5
127.00378	1.1
136.98827	1.2
139.00404	5.7
140.01187	4.6
141.01961	2.4
151.00383	12.7
153.01949	0.9
154.01483	2.7
168.00667	4.5
169.01440	18.9
170.01740	1.1
313.05716	1.1
401.14536	100.0
402.14883	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	399.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81479	14.5
69.42936	100.0
98.20721	18.6
130.84920	12.8
153.92235	13.4
282.34488	13.3
315.78665	13.6
391.46686	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	399.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53891	5.3
59.01396	13.7
96.96014	9.9
104.09123	5.4
123.00909	7.5
125.02508	6.3
189.01910	7.0
229.01576	6.9
247.02510	14.4
273.00476	12.3
275.02069	6.3
300.99869	100.0
302.00262	13.6
359.60754	6.0
381.60980	6.4
400.03799	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	399.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29050	16.0
59.01385	31.7
68.90679	17.7
69.46577	49.5
69.47004	76.9
70.13343	19.1
150.75586	18.9
237.11366	17.6
301.00021	100.0
399.20929	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	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24489	2.0
52.15358	1.8
52.97496	2.2
52.97771	1.9
59.01383	69.6
69.32522	8.5
69.32942	7.1
70.38413	1.9
71.01392	24.1
72.99316	2.4
73.02955	3.1
83.01406	4.4
85.02978	5.6
87.00896	5.0
87.04536	4.5
89.02444	13.6
95.01402	4.3
97.02989	3.1
99.00893	3.4
101.02438	9.6
107.01371	3.4
107.05048	15.0
107.08704	3.2
111.00910	2.7
113.02444	9.5
119.03507	7.9
121.02977	6.8
123.00900	8.8
124.01678	6.7
125.02460	75.8
126.02776	3.0
133.10258	4.0
135.04547	3.6
137.02477	2.2
139.00400	5.6
139.04031	3.0
145.03033	2.6
159.06587	2.1
161.02495	5.0
161.04559	2.6
166.99889	5.8
167.03517	6.5
168.00616	9.5
168.87526	2.0
169.00003	4.4
169.01439	92.0
170.01732	6.7
175.07642	2.6
177.09219	5.0
179.03505	100.0
180.03940	3.5
191.03503	2.5
191.07268	2.0
195.02991	3.7
206.09477	3.4
219.02977	2.7
221.08258	2.2
221.11751	10.1
239.09341	2.9
247.02332	2.3
270.01593	3.9
274.00674	2.8
281.01022	3.7
297.00620	2.5
298.01294	8.1
299.99094	3.2
300.99863	3.7
302.00308	2.2
311.01852	4.5
313.03366	25.3
314.03934	3.1
321.14359	2.6
330.00128	7.1
339.01456	13.7
357.02512	32.8
401.01541	4.6
401.10690	48.1
402.11194	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	401.1455
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01874	7.6
55.17783	2.2
57.03440	5.8
59.01109	4.7
59.01386	51.9
68.73626	2.2
71.01390	86.0
71.33682	4.1
72.99306	5.9
73.02560	3.5
73.02959	45.4
75.00877	3.2
79.30978	2.1
80.17564	2.1
81.03506	3.1
83.01402	14.8
84.44745	2.1
85.02965	48.5
87.00877	5.2
89.02457	19.1
91.25363	2.2
95.01401	8.3
96.97639	2.4
97.02961	6.2
99.00893	18.4
101.02453	79.6
113.02467	38.9
115.04018	2.5
120.44533	2.4
125.02469	10.6
131.03491	3.3
143.03485	4.6
159.03009	9.8
161.04568	58.0
191.05794	2.7
204.02617	2.5
233.06734	9.7
269.07407	5.6
269.10318	100.0
270.10721	7.2
293.08984	5.0
348.97964	2.8
401.14578	84.1
402.14856	8.7
404.33234	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	399.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05672	11.1
51.94606	10.6
67.63003	11.1
69.33526	100.0
73.67422	11.0
97.43828	12.1
98.20764	11.9
103.54908	13.1
146.38675	10.9
178.70549	10.1
212.69328	11.9
258.67618	11.6
300.99728	24.9
301.99994	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	399.1299
Annotation	Zuclopenthixol
Peak:m/z	Relative Intensity
55.01855	0.8
59.01389	9.4
67.01867	1.3
71.01389	5.5
72.99300	0.9
74.14222	0.6
75.07984	0.6
78.67329	0.7
79.01899	1.9
83.01377	1.4
85.02948	1.9
87.00845	0.7
89.02454	2.1
92.48031	0.7
95.01398	2.0
97.02934	1.1
99.00890	2.4
101.02454	3.7
102.65684	0.6
107.01398	4.2
111.00898	3.2
113.02461	2.0
123.00894	16.8
124.01689	1.7
125.02448	17.6
126.02821	0.8
127.00401	1.3
136.98842	2.2
137.02441	1.2
139.00368	5.3
140.01239	3.6
141.01913	1.7
151.00389	10.4
168.00685	5.2
169.01437	19.7
170.01884	0.9
194.66531	0.7
211.02518	1.8
231.03183	0.9
266.25854	0.7
271.04556	2.1
300.99939	2.4
302.00272	0.8
313.05701	0.8
371.73135	0.8
399.12979	100.0
400.13412	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	399.072
Annotation	Paeciloquinone B
Peak:m/z	Relative Intensity
53.98425	0.4
59.01347	0.5
70.31776	1.2
70.32130	0.8
70.50378	0.4
71.01398	0.5
71.45227	0.4
96.96000	0.9
109.97861	0.5
145.02934	0.6
150.39137	0.5
161.02461	0.8
173.02460	0.8
175.03989	0.5
177.01949	1.3
189.01939	1.5
190.02740	3.1
191.03540	1.0
192.00528	0.5
193.01465	3.4
195.04602	0.6
200.01262	0.9
201.01941	0.8
202.02689	1.4
203.03442	1.0
205.01418	1.0
213.01973	0.5
214.02704	1.0
215.03369	0.8
216.04390	0.6
217.01390	0.7
218.02191	2.6
219.02914	0.5
221.00928	5.2
225.05647	0.7
226.02843	0.7
227.03491	1.2
228.00696	1.6
229.01413	2.0
230.02226	1.6
231.03050	0.7
233.13406	0.5
237.05653	0.6
239.03592	0.7
241.05107	0.8
242.02252	2.0
243.02892	1.4
243.99983	0.6
245.00905	2.2
246.01895	0.8
247.02449	1.5
250.06239	0.6
251.03488	0.5
253.05226	1.0
255.02963	0.9
255.10178	0.8
256.03806	0.5
257.00870	3.3
258.01691	3.0
259.02527	1.4
265.05087	0.6
267.02957	0.6
269.01035	0.8
269.04492	0.6
270.05219	0.5
271.02524	1.8
271.09698	0.5
273.00464	3.3
274.01212	28.8
275.01559	2.9
279.03128	2.2
280.03659	0.8
281.04535	2.3
281.08051	0.8
282.01569	1.0
283.02420	2.5
283.09869	1.3
284.03122	1.1
285.00482	0.8
286.01270	1.1
287.01898	2.7
288.02719	1.1
293.04590	0.8
294.05334	0.7
299.02020	4.3
300.02628	2.2
300.99973	7.7
302.00345	1.5
308.03223	1.6
309.04010	1.5
309.07727	2.7
311.01852	0.7
311.09271	1.1
312.02762	2.0
322.04626	0.8
323.05450	0.8
325.03647	2.3
326.04279	1.4
327.08731	1.3
337.07178	3.9
338.07794	1.3
355.08249	100.0
356.08588	13.1
399.07187	10.0
399.12027	1.1
400.07584	1.5
413.19333	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
86.08983	96.5
93.39504	100.0
96.77301	89.9
111.35717	73.4
157.61270	88.0
404.70920	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	397.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
86.08983	96.5
93.39504	100.0
96.77301	89.9
111.35717	73.4
157.61270	88.0
404.70920	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	398.9667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.1
59.01385	6.2
68.40031	0.8
71.01385	7.9
72.99345	0.9
73.02962	3.0
79.95751	3.0
83.01381	1.3
85.02957	4.8
87.00855	1.0
89.02461	2.8
96.11728	0.9
96.96022	100.0
99.00890	2.2
101.02466	6.7
107.01418	1.0
111.00878	1.2
113.02435	2.3
121.02967	2.2
123.00887	2.0
125.02452	2.2
143.03580	1.0
145.02969	0.9
149.29778	0.9
160.01685	3.3
161.02423	1.1
161.04555	5.9
169.01439	3.4
175.04007	4.6
189.01942	1.0
191.03496	1.3
201.01918	1.2
212.32156	0.9
216.85829	1.0
217.01418	1.3
219.02959	1.3
229.01556	1.8
229.40974	1.0
247.02467	3.7
251.11382	12.8
257.00824	1.0
273.00500	1.6
275.01895	1.3
299.99136	4.1
300.99918	22.1
302.00223	2.3
302.03476	1.2
327.08658	1.2
334.05615	0.8
380.64444	0.8
399.13010	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	397.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	8.0
57.03451	3.3
58.00616	3.0
59.01389	100.0
69.03460	6.7
70.12006	3.8
70.12395	3.9
71.01392	91.8
72.01715	1.5
72.99306	6.8
73.02956	17.6
75.00880	2.6
75.95103	1.4
78.95919	5.1
81.03474	2.8
83.01395	10.7
85.02970	21.7
86.03388	1.6
87.00887	19.4
89.02463	76.5
95.01427	8.3
97.02943	17.1
99.00899	5.9
99.04498	1.9
100.38724	1.3
101.02459	67.3
107.59545	1.5
109.02946	2.2
111.04539	6.4
112.01682	1.8
113.02472	33.3
115.04066	1.7
119.03509	23.2
125.02473	23.0
131.03540	2.6
133.05057	5.6
139.04045	3.2
141.01984	1.6
143.03535	9.0
149.04547	3.4
161.04582	13.7
169.05063	2.7
179.05618	4.0
217.07095	3.3
221.06583	2.8
235.08247	18.3
245.06531	2.0
253.09352	2.5
263.07901	2.9
277.09521	2.1
287.07742	2.2
305.08575	1.9
379.12500	1.8
397.13553	70.5
398.13971	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	15.8
64.18576	12.6
69.23875	26.8
69.24281	100.0
72.03951	11.8
72.81255	13.1
91.20426	13.9
110.27959	12.8
119.66930	14.0
138.45219	10.8
150.68495	13.1
176.60748	12.7
259.76691	12.9
272.04456	12.4
275.83228	12.4
397.05585	20.9
418.39560	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	395.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18552	0.5
54.77822	0.5
55.78381	0.5
59.01385	100.0
60.01725	1.4
60.75089	0.5
61.98801	0.5
71.01379	2.8
71.20586	0.8
71.20945	0.5
73.02970	1.1
73.62918	0.5
83.01405	0.9
85.02964	2.0
85.78262	0.5
99.00928	0.7
101.02458	5.0
109.02959	0.7
111.00928	0.6
113.02470	1.4
145.02972	0.9
159.04628	0.7
161.04596	2.4
179.17026	0.5
335.20758	12.2
336.21320	1.1
381.27664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.0
57.03455	4.8
58.00594	1.5
59.01385	36.5
60.01719	0.5
61.98835	1.4
68.99817	0.6
69.03468	1.3
71.01388	53.9
71.57442	0.5
72.01738	0.9
72.97569	0.5
72.99316	2.7
73.02953	32.6
74.03299	0.7
75.00881	1.9
75.32676	0.3
80.20815	0.3
81.03457	0.8
83.01396	13.3
85.02960	31.2
86.00105	2.0
86.03336	0.5
87.00874	3.1
89.02454	11.2
95.01392	3.6
97.02959	3.5
99.00887	12.3
99.04523	0.7
99.08181	1.0
101.02454	62.4
101.09721	0.8
102.02824	1.1
111.00877	2.0
113.02462	22.5
114.02796	0.6
115.04016	2.3
117.03484	0.5
119.03543	0.4
121.43910	0.3
125.02448	3.8
129.01958	1.8
131.03531	3.3
141.02008	0.6
143.03479	2.6
143.83018	0.3
145.02953	2.5
145.08766	0.3
149.04576	1.3
159.02997	3.9
160.53024	0.3
161.04568	21.0
162.04919	0.5
167.16675	0.3
168.33269	0.3
171.10289	1.2
171.21086	0.3
191.05611	0.7
205.03522	0.5
233.06638	2.7
263.15005	100.0
264.15347	7.3
293.08859	1.2
307.14066	0.6
307.46155	0.3
395.19220	83.4
396.19580	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.01720	1.0
64.43173	0.6
69.51842	4.3
70.61559	0.6
71.01387	3.3
73.02948	0.8
77.76603	0.6
83.01389	0.6
85.02968	1.9
89.02464	0.9
99.00844	0.8
101.02437	4.3
113.02473	2.1
137.25060	0.6
161.04585	2.4
273.19727	0.6
299.58371	0.6
335.20767	8.7
336.21002	0.8
396.07257	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	0.7
59.18589	0.4
71.01396	0.6
71.22865	0.6
74.99115	0.5
78.95914	44.1
93.48339	0.4
96.96972	100.0
98.97388	0.6
101.50688	0.4
136.99182	0.5
199.27954	0.4
263.05707	0.6
278.86987	0.5
348.10306	0.4
395.10205	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.38804	0.3
65.47173	0.3
66.30498	0.3
68.71650	0.4
69.26007	3.6
74.99117	0.5
78.95914	47.0
96.96973	100.0
97.17541	0.4
98.20641	0.9
98.97382	0.8
132.61212	0.3
208.28900	0.3
247.02165	0.4
296.88367	0.3
326.90649	0.3
356.24240	0.3
367.91162	0.4
395.09970	0.5
408.93454	0.3
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	Creoside IV
Peak:m/z	Relative Intensity
55.01884	7.9
56.94917	0.6
57.03449	3.6
58.00596	2.3
59.01384	38.4
63.58969	0.6
66.23322	0.7
69.03459	2.2
69.53062	4.7
71.01390	52.6
72.01712	0.9
72.99317	1.9
73.02952	31.9
75.00886	1.8
78.17228	0.6
83.01395	12.2
85.02960	27.5
86.00117	1.9
87.00904	3.2
89.02448	12.7
95.01392	3.7
97.02963	3.9
99.00890	11.7
99.08147	1.1
100.96593	0.6
101.02451	61.1
101.09727	1.0
102.02795	0.8
111.00879	1.8
113.02467	22.9
115.04007	2.2
118.30434	0.6
118.84554	0.6
125.02450	2.9
129.01990	1.3
131.03514	2.7
143.03502	2.0
145.02951	1.1
149.04613	1.6
159.03001	4.5
161.04575	20.3
162.04964	1.0
177.56197	0.6
182.87010	0.7
191.05598	1.0
233.06702	2.5
249.83217	0.7
263.15009	100.0
264.15317	6.7
268.17532	0.6
293.08920	0.7
314.04947	0.7
395.19223	78.1
396.19604	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	393.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01714	1.3
71.01395	10.1
71.57761	0.7
72.99337	0.6
75.01630	0.4
80.66256	0.5
85.02976	1.4
89.02454	15.9
92.89001	0.4
95.01399	0.6
101.02461	5.6
107.01414	0.5
113.02478	4.0
115.10885	0.5
119.03498	4.9
123.04552	0.5
125.02482	1.7
131.03476	0.8
143.03568	0.7
161.04594	1.5
169.01398	2.4
179.05571	2.9
204.75137	0.5
242.43596	0.5
300.99902	0.6
313.00079	0.7
317.04291	0.5
393.10391	0.8
394.05862	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2134
Annotation	JBIR-56
Peak:m/z	Relative Intensity
59.01386	100.0
59.26292	0.8
60.01733	1.9
66.09150	0.8
66.54428	0.8
71.01389	13.0
71.74426	0.7
72.06701	1.0
72.99333	0.8
73.02962	3.9
83.01418	2.7
85.02962	6.4
87.04519	1.0
88.50659	0.9
89.02457	2.7
95.01393	1.7
98.20648	2.7
99.00877	2.0
101.02453	9.9
101.06078	1.3
108.02169	1.6
109.02967	13.1
110.44292	0.9
113.02459	4.0
123.49062	1.0
125.02443	1.7
143.03497	1.3
161.04526	4.0
169.01476	1.9
185.06097	7.8
187.04146	1.0
191.82329	0.8
202.41888	0.8
229.05060	16.1
285.03867	4.0
324.41501	0.8
333.19162	6.4
375.20267	2.8
393.21317	53.6
394.21768	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	394.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	6.0
61.81657	1.0
61.98837	100.0
64.55894	0.9
69.03458	1.3
70.31353	3.1
71.01385	1.5
72.99320	1.6
80.64205	0.9
89.02449	1.3
91.76260	1.0
96.96965	1.2
97.02969	1.1
97.34602	0.9
99.00890	2.2
101.02490	2.0
102.98624	1.4
107.89124	0.8
109.02966	1.6
113.02411	1.8
123.00920	1.2
125.01540	2.1
125.02461	39.6
126.02760	2.0
133.59399	0.9
137.02431	2.0
139.03917	1.0
145.02994	1.1
160.72270	0.9
160.73602	0.9
169.01443	90.2
170.01791	4.0
173.02412	1.0
177.01932	2.0
191.03508	4.4
193.05125	1.3
201.01907	1.7
211.02560	1.2
219.03053	3.3
229.01385	1.9
237.04080	3.1
247.02423	1.4
249.04033	1.4
257.01022	1.3
275.02069	2.8
300.99911	18.8
302.00192	3.4
323.03925	1.2
331.06729	21.8
332.07071	1.7
335.13431	1.2
395.06244	1.2
395.15613	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64429	4.9
59.01384	100.0
67.07067	6.4
71.39790	8.6
97.81023	6.2
105.29916	6.4
146.19798	6.4
164.72610	5.4
197.88857	6.0
236.77142	7.0
292.40427	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	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03919	2.5
59.01387	100.0
69.73457	5.1
69.73867	9.9
76.62783	2.3
80.27625	2.6
87.20031	2.6
96.68689	2.7
98.19954	2.7
127.25857	2.7
141.39641	2.4
300.99860	7.2
303.66873	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1041
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
57.03461	0.5
59.01388	6.8
64.69825	0.5
65.15783	0.4
69.53206	3.5
69.60578	0.5
71.01401	2.8
73.02911	0.5
83.01400	0.6
85.02969	4.6
89.02455	1.8
93.03497	0.8
95.01402	3.6
99.45825	0.5
100.34431	0.6
101.02455	2.0
108.02190	9.0
109.02966	94.7
110.03323	3.3
113.02465	1.9
119.05096	0.9
123.00906	3.6
125.02467	2.5
136.56802	0.5
141.07129	0.6
161.04572	1.0
167.05019	0.7
169.01472	1.8
183.04335	0.7
185.06090	44.3
186.06468	3.6
229.05084	100.0
230.05402	9.4
243.06668	4.1
271.06146	2.0
300.99924	1.1
391.10245	4.1
391.27380	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.081
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82869	0.4
59.01365	1.0
61.98860	0.6
64.41212	0.4
69.83159	1.1
69.83574	1.4
71.01393	1.1
72.99323	0.7
78.36398	0.4
78.95914	49.1
85.02971	0.6
89.02431	0.6
96.96068	10.0
96.96975	100.0
98.95599	0.6
101.02481	0.6
173.55380	0.4
219.05110	0.8
226.04573	0.6
295.10367	2.5
322.81522	0.5
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	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
57.03469	0.8
59.01387	60.3
60.01713	0.8
69.48815	5.6
69.49140	1.3
71.01387	9.4
73.02946	2.4
75.00946	0.7
83.01399	1.8
85.02975	4.7
87.00884	0.9
89.02455	3.2
95.01399	1.1
99.00938	1.5
101.02451	8.8
113.02480	4.3
114.89016	0.7
119.03530	1.4
161.04573	1.1
176.92641	0.8
211.13040	0.7
227.12874	0.8
302.07642	0.9
371.17169	1.3
389.18182	100.0
390.18570	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	389.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.9
56.94821	0.7
57.03456	2.7
58.00603	5.1
58.95982	0.6
59.01387	100.0
60.01733	1.7
61.98853	0.9
71.01390	67.9
71.56953	0.6
71.57371	0.9
72.01737	0.9
72.99322	5.6
73.02937	3.1
83.01411	2.6
85.02960	13.5
87.00890	4.8
88.23181	0.5
89.02454	97.4
90.02777	1.9
93.19194	0.6
95.01392	4.9
95.05022	0.7
96.96010	0.7
99.00912	1.0
101.02456	37.6
102.02858	0.6
106.36134	0.6
111.08163	1.9
111.28500	0.6
113.02466	28.3
114.02798	0.8
119.03519	35.8
119.05003	2.2
120.03831	1.0
120.05485	0.5
123.00903	0.7
125.02455	2.3
131.03491	4.3
133.03059	0.5
137.02434	0.9
143.03517	6.9
145.02939	2.7
149.04591	3.2
151.04062	1.2
153.09225	13.2
154.09564	1.1
158.47214	0.6
161.04588	8.3
163.03992	3.3
163.11327	2.1
169.01459	1.9
173.02383	1.0
174.03268	1.2
175.03998	4.8
176.04813	1.4
177.05617	0.7
179.05640	13.1
180.04292	0.8
180.05952	1.1
181.12364	11.8
182.12648	1.1
183.35921	0.6
188.04764	1.1
189.05588	1.3
190.06377	4.1
191.07053	2.2
191.14398	0.8
193.05037	2.0
194.05757	1.6
197.61792	0.6
201.01871	0.7
203.07240	0.6
205.08681	2.8
207.06624	0.6
208.07314	0.8
209.15498	10.3
210.15837	0.8
225.11343	27.4
226.02670	2.0
226.11761	3.3
227.03421	2.4
227.11931	1.4
227.16467	2.0
229.01338	1.0
275.01953	1.0
300.99954	5.8
344.12689	0.8
359.14957	1.6
374.13641	1.3
389.08530	0.9
389.16647	8.9
389.21729	9.8
390.16754	0.8
390.22076	1.0
408.42383	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86746	0.7
55.01862	0.7
57.03446	0.8
59.01385	11.0
69.24468	5.1
69.24879	1.2
71.01389	10.3
72.99303	1.1
73.02955	2.5
74.12486	0.7
80.05079	2.1
83.01384	1.1
85.02969	3.6
85.27636	0.7
85.51650	0.8
87.00931	0.7
89.02455	7.1
92.05037	0.8
94.06629	2.1
99.00851	0.8
101.02439	6.2
104.05074	69.3
105.05418	2.7
106.06698	1.0
106.07647	0.7
107.01405	1.9
107.03763	3.4
113.02480	5.0
119.03526	2.5
119.05045	0.9
122.06133	31.4
123.00927	1.0
123.06457	1.4
124.07768	1.7
125.02450	7.1
134.06136	7.1
139.02762	1.2
145.02957	2.2
147.03293	7.8
148.04065	84.2
149.04427	3.6
152.07188	45.7
153.07481	1.9
155.10823	1.0
160.04048	17.1
161.04532	4.7
163.04099	1.2
164.03546	1.1
166.05127	3.5
167.05418	2.1
169.01442	9.2
179.02255	1.1
192.03052	1.7
192.50188	0.7
196.06157	2.8
209.15498	0.7
211.02501	0.7
225.11374	1.3
225.93439	1.4
227.07143	2.4
227.16690	0.8
241.13480	1.2
269.12903	4.7
285.12579	4.0
300.99869	2.3
313.11963	29.2
314.12283	3.9
357.10938	100.0
358.11267	12.6
389.17426	1.4
389.25714	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	389.1822
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
50.84221	0.5
57.03456	0.8
59.01384	8.5
60.40273	0.4
61.87505	0.4
64.10629	0.4
69.37154	3.1
71.01386	4.9
72.99347	0.4
73.02962	0.5
83.01394	0.7
85.02964	1.6
89.02463	4.4
95.01414	1.0
97.06580	0.4
98.19855	0.7
101.02448	2.5
111.08164	1.3
113.02443	4.0
118.86910	0.4
119.03529	1.5
124.96983	0.4
161.04559	1.2
165.12860	22.7
166.13225	1.8
178.39740	0.4
178.96552	0.4
179.05714	0.7
183.13913	80.7
184.14238	5.7
197.15453	1.5
207.13930	1.5
209.11876	2.9
225.14990	1.9
227.12904	100.0
228.13229	7.7
251.12903	3.2
269.13995	1.8
287.52005	0.4
288.96381	0.4
291.79388	0.4
293.13821	0.7
389.17993	2.1
405.07199	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0731
Annotation	Unknow
Peak:m/z	Relative Intensity
56.28008	1.0
57.03444	1.5
58.00589	2.8
59.01387	55.5
69.84869	1.0
71.01389	27.8
72.99291	2.7
78.95892	2.6
81.03467	2.5
83.01380	3.3
85.02960	6.1
87.00868	2.3
89.01936	1.9
89.02457	28.1
93.03440	4.1
95.01392	5.1
96.96958	3.5
101.02451	17.8
109.02962	5.7
113.02461	11.0
117.03438	1.3
119.03523	9.1
121.02956	4.1
123.00851	2.4
125.02452	6.6
127.00247	1.3
137.01477	2.2
137.02460	29.4
138.03189	3.7
139.04028	100.0
140.04309	2.0
145.02943	3.4
151.00407	1.9
151.03961	1.3
153.01971	6.8
154.02705	2.8
155.03465	2.0
160.56427	1.2
161.02432	2.9
163.03954	1.6
165.01933	28.2
166.99886	1.5
169.01477	7.6
173.02443	2.5
175.03867	1.2
179.03429	2.6
181.01343	1.1
181.05083	3.1
182.02243	9.6
183.02998	63.7
184.03299	2.7
185.02486	1.3
189.01929	3.1
191.03452	1.3
201.01917	2.8
203.03413	2.5
207.02986	4.8
209.00925	58.8
210.01212	3.1
217.01375	4.4
225.04070	22.0
226.04369	1.5
227.01968	12.1
229.01366	3.3
231.02791	1.7
235.02605	1.6
241.03490	1.5
245.00925	2.7
255.05074	4.1
257.00739	2.4
259.02493	2.0
263.01910	1.4
270.98883	2.6
273.00412	3.1
275.02036	6.8
283.99606	2.0
285.06204	31.1
286.06396	1.7
298.98441	2.5
299.99051	3.1
300.99930	43.2
301.05600	4.5
325.18481	1.3
329.05164	4.6
345.08310	34.8
346.08603	3.0
362.02664	2.4
376.02298	1.5
389.07208	60.4
390.07407	6.2
408.72241	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.231
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01368	100.0
68.65942	54.4
71.01351	68.4
141.01663	67.6
227.87242	65.4
266.53854	59.8
348.96387	63.9
352.12796	64.3
377.33588	65.3
381.37314	67.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	0.9
59.01385	12.3
60.63340	0.8
65.00319	1.1
69.57410	2.0
69.57825	4.4
69.71491	0.9
70.60263	0.8
71.01391	5.0
73.02971	0.9
85.02970	2.4
87.97545	0.9
89.02464	3.3
89.03987	3.7
101.02482	2.4
101.03989	2.1
113.03971	1.1
117.03490	3.2
119.03526	1.2
125.02460	1.1
125.94318	0.9
129.03496	4.6
134.92439	1.0
141.03511	0.9
145.02950	6.5
147.04483	4.7
150.03230	1.3
157.02950	9.4
161.02484	1.5
161.04623	1.4
163.04077	2.0
165.05559	1.7
169.02953	1.5
172.58328	0.8
173.02467	10.4
175.04041	2.8
179.60306	0.9
185.02458	9.7
189.02048	0.9
190.06392	1.3
193.05025	1.9
201.01944	29.3
202.02437	3.2
203.03406	1.0
205.08774	1.1
211.00377	1.9
213.01956	17.7
214.02257	2.0
216.00580	1.4
218.02226	1.1
228.99168	1.9
229.01439	37.9
230.01878	2.7
241.01474	7.3
245.00932	1.9
257.00946	40.6
258.01370	4.3
266.99155	1.1
268.00134	1.1
269.00946	1.4
274.01273	2.6
275.01855	1.1
278.87717	0.9
285.00433	100.0
286.00864	10.1
300.99863	4.8
302.00647	3.3
312.99933	49.8
314.00394	6.6
317.02979	1.4
328.99500	2.5
345.02533	77.2
346.02954	8.3
356.98920	2.8
388.20767	1.3
389.01556	48.2
389.16431	1.7
390.02060	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	387.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64194	0.3
55.01878	1.4
57.03451	2.2
58.00601	2.9
59.01385	100.0
60.01716	1.3
62.00941	0.3
69.03453	0.3
69.17226	0.3
69.49451	1.4
69.49863	0.6
71.01388	54.2
72.01729	1.1
72.99311	3.6
73.02953	4.2
78.95910	0.9
83.01390	3.4
85.02962	10.8
86.03304	0.5
87.00889	2.7
89.02454	57.6
90.02785	0.8
93.33726	0.3
95.01396	3.5
96.12247	0.3
97.02951	0.5
99.00916	1.5
99.85900	0.3
101.02452	32.1
102.02778	0.9
113.02460	21.6
114.02795	0.4
119.03513	24.6
120.03779	0.6
125.02431	0.9
128.52522	0.3
131.03499	2.6
136.56670	0.2
143.03516	3.9
149.04576	1.9
159.02969	1.2
161.04570	9.4
162.04907	0.5
163.11310	6.7
164.11658	0.6
169.01445	0.3
179.04155	0.5
179.05621	5.8
189.60214	0.3
195.13889	1.3
207.10303	1.7
225.11342	0.6
225.14969	2.9
255.10565	0.3
259.03622	0.3
387.16333	29.9
387.20398	4.1
388.16788	3.2
388.20914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.2
58.00586	1.6
59.01388	100.0
59.06046	0.9
60.01706	1.3
61.79383	0.8
71.01394	27.1
71.19993	0.8
72.60187	0.8
72.99323	2.0
73.02955	1.9
83.01402	1.7
84.94612	0.9
85.02953	5.8
87.00903	1.2
89.02457	29.0
95.01398	1.3
101.02463	16.3
113.02461	12.4
119.03515	13.1
131.03491	1.0
136.47722	0.9
143.03510	1.6
149.04613	1.2
155.19624	0.9
161.04573	2.7
163.11322	16.7
164.11604	1.4
179.05591	2.3
207.10246	2.9
216.19930	0.8
222.65028	1.1
225.15059	1.0
241.17906	1.0
387.16620	81.7
388.16937	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	387.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16164	0.3
55.01883	1.4
57.03459	2.2
58.00601	3.2
59.01385	100.0
60.01716	1.1
61.98864	0.4
63.28009	0.3
63.79631	0.3
64.69342	0.3
69.03465	0.7
69.67866	0.9
69.68279	0.9
71.01389	60.6
72.01729	1.2
72.99313	4.0
73.02953	4.8
75.00882	0.5
78.95918	0.8
83.01395	3.5
83.05019	0.3
85.02959	13.2
86.03298	0.7
87.00877	3.5
89.02454	66.4
89.07848	0.3
90.02789	1.2
95.01391	4.9
97.02956	0.6
99.00886	1.9
101.02455	38.1
102.02791	1.1
109.02974	0.3
113.02462	24.2
113.06055	0.4
114.02748	0.6
119.03516	27.0
120.03839	0.7
123.00883	0.4
125.02457	1.3
131.03532	3.6
143.03496	4.5
149.04576	2.3
151.11302	0.5
153.01894	0.7
156.72168	0.3
159.02989	1.9
161.04573	11.7
163.11285	4.6
166.94334	0.3
169.01424	0.5
179.05627	7.6
195.13855	1.1
207.10307	1.4
225.11339	0.6
225.14989	4.1
239.92485	0.3
276.07397	0.3
289.04553	0.5
313.47787	0.3
387.16382	21.5
387.20395	6.8
388.16483	2.5
388.20663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78218	0.4
53.94908	0.5
55.01880	1.3
59.01384	5.8
60.16772	0.4
64.22440	0.5
65.00307	0.5
67.01907	1.0
69.03461	0.8
69.48202	1.3
69.48614	2.0
71.01390	7.8
72.99318	1.4
73.02954	2.3
79.01921	1.2
83.01397	2.5
85.02963	5.1
86.00101	0.5
89.02465	1.7
95.01400	1.5
98.20664	0.9
99.00901	0.9
101.02451	8.7
107.01390	3.1
110.00104	0.7
111.00922	3.4
113.02452	2.5
119.03520	1.0
123.00911	16.0
124.01742	2.2
124.04137	0.5
125.02463	14.6
127.00399	1.3
136.98810	2.1
139.00363	5.7
140.01178	4.6
141.01939	1.8
151.00377	12.6
152.00722	0.8
153.01955	1.0
160.66269	0.4
161.04575	1.9
163.04066	0.5
168.00661	4.5
169.01440	19.0
170.01727	0.5
179.10713	0.9
193.05090	0.4
225.15021	1.3
313.05530	1.0
387.12997	100.0
387.19958	2.8
388.13309	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90915	0.3
55.01875	1.1
57.03443	0.7
58.00594	0.6
59.01388	14.6
62.96957	0.3
65.00346	0.4
67.01881	1.2
69.03467	0.5
71.01389	10.7
71.57217	0.6
72.01736	0.5
72.99307	1.2
73.02954	2.3
74.71320	0.4
79.01884	1.3
80.91691	0.5
83.01405	3.0
85.02957	5.3
86.00128	0.4
87.00893	0.9
89.02451	6.9
95.01398	2.8
97.02974	1.1
99.00888	1.4
101.02454	9.6
102.02805	0.4
102.30302	0.4
107.01408	3.5
109.02972	0.5
110.00079	0.4
111.00883	3.3
113.02457	4.9
118.82199	0.3
119.03529	2.2
122.99996	0.7
123.00904	15.1
124.01727	2.1
125.02467	13.9
126.02802	0.4
127.00384	1.0
136.98814	2.0
137.02454	0.4
137.09676	0.3
139.00385	6.9
140.01164	4.3
141.01941	1.6
143.03468	0.8
151.00381	11.3
153.01955	1.3
154.99895	0.5
158.01515	0.3
159.28574	0.4
161.04620	1.2
168.00644	5.1
169.01439	16.0
170.01750	0.6
181.05132	1.0
207.02902	0.5
207.14047	0.5
211.02565	0.7
225.14970	2.6
313.05695	0.8
319.92331	0.4
387.12988	100.0
387.20190	12.8
388.13336	13.3
388.20746	2.1
388.25272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1663
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
59.01386	82.2
64.10681	0.7
70.87801	0.8
71.01392	15.9
83.01410	1.4
85.02959	3.8
89.02452	17.3
95.01402	0.8
98.20641	1.9
101.02458	9.4
113.02467	6.3
119.03542	5.7
119.10647	0.7
163.11287	5.8
166.72507	0.8
190.55452	0.8
204.85957	0.8
205.68918	0.8
207.10269	13.3
364.80576	0.8
387.16623	100.0
388.16962	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	387.0574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.5
61.98833	2.7
70.08118	1.7
71.01385	1.3
78.95925	0.8
85.02960	0.6
89.02437	0.5
92.80882	0.4
93.03442	0.6
95.01392	0.5
96.96972	1.3
107.01431	0.6
109.02967	18.7
110.03273	0.7
115.92073	1.3
119.05028	0.5
121.02924	0.4
123.00896	1.6
125.02459	1.3
129.43974	0.5
137.02460	33.9
138.02850	1.2
139.00391	0.4
149.06058	0.6
151.00369	1.0
163.04044	0.6
169.01414	2.2
175.03981	0.7
177.01884	0.5
179.03448	0.9
180.00648	3.0
180.04300	0.4
181.01443	100.0
182.01785	5.0
191.03535	0.5
193.05084	0.6
203.03467	0.4
207.03020	1.7
225.04109	1.1
233.19923	0.4
247.02478	0.4
300.99969	1.6
302.00247	0.9
324.13873	0.9
327.07285	0.4
343.06744	4.8
344.07162	0.7
372.35983	0.4
387.05649	9.4
387.09537	7.2
388.05551	0.8
388.09842	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
56.99093	0.4
57.03450	0.9
59.01385	3.6
64.38136	0.4
66.01250	0.4
67.01893	1.2
68.99827	0.4
69.03469	0.7
70.30049	1.4
71.01390	7.4
72.99305	0.5
73.02954	2.5
73.92136	0.4
79.01903	1.2
83.01393	2.1
83.19092	0.4
85.02958	4.3
87.00899	1.1
93.07446	0.4
95.01410	2.7
96.38388	0.4
97.02954	1.1
99.00894	1.3
101.02463	4.8
107.01392	5.8
109.56937	0.4
111.00907	2.4
111.84594	0.4
113.02480	3.2
123.00898	17.1
124.01672	1.7
125.02467	20.0
126.02818	0.9
127.00375	0.6
136.98836	1.1
139.00391	5.9
140.01187	3.3
141.01944	2.2
151.00381	14.0
153.01955	0.5
159.03072	0.5
161.04642	0.7
163.03996	0.5
168.00635	4.8
169.01442	24.7
170.01770	1.1
173.94771	0.4
174.62427	0.5
181.05005	0.9
196.21561	0.4
199.76974	0.4
203.03526	0.5
223.02399	0.5
253.03560	0.4
258.01257	0.4
258.13495	0.5
300.99924	1.2
302.00269	0.7
313.05835	2.9
314.05588	0.5
345.71268	0.4
368.32309	0.4
387.09360	100.0
388.09656	10.1
388.14563	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00286	0.8
59.01376	2.5
60.35541	0.7
61.98835	100.0
69.28845	8.0
71.01363	2.3
82.11764	1.0
96.09950	0.8
117.78642	0.9
130.08740	3.6
133.90154	0.9
153.09177	1.9
188.78360	0.8
196.62474	1.1
205.12404	1.5
245.00800	1.0
247.02486	1.9
273.00217	1.2
300.99942	2.9
322.20285	1.9
336.52997	0.9
350.01346	0.8
385.05872	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29546	0.8
56.37394	0.8
59.01387	20.7
61.98840	100.0
66.89021	0.9
67.01804	0.8
67.36246	0.8
69.37001	3.2
69.37434	4.3
71.01392	4.5
73.02943	0.9
84.64185	1.0
85.02953	1.4
89.02460	4.4
98.19888	1.9
98.75278	1.1
99.92591	1.4
101.02460	3.0
109.02962	2.4
113.02452	2.8
115.92098	3.5
116.92882	1.7
119.03529	2.9
123.00882	2.7
125.02470	3.0
137.02448	3.2
145.02994	1.2
147.04538	1.2
151.00377	1.2
151.04071	2.0
161.04582	1.0
163.04060	2.5
165.01888	1.1
169.01443	3.9
175.03990	2.2
175.35411	1.0
177.05566	1.4
179.03529	1.7
181.01489	6.0
181.05104	2.0
185.02449	1.2
188.03506	0.9
190.02597	1.0
190.54524	0.9
203.03551	2.4
207.03062	1.6
207.64870	1.0
219.02992	0.8
225.04128	1.6
229.01572	1.5
242.96045	1.2
245.00931	1.2
247.02490	3.4
248.02875	1.6
265.03732	1.2
266.30634	1.0
273.00436	1.4
275.01962	1.7
300.99957	17.5
302.00183	3.5
323.13492	24.7
324.13953	2.1
334.17831	0.9
343.06717	1.2
386.12061	1.3
387.09430	11.2
409.78162	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1872
Annotation	Icariside B2
Peak:m/z	Relative Intensity
55.01877	2.4
57.03461	3.8
58.00597	2.2
59.01384	57.4
61.21502	0.6
62.19009	0.8
62.21497	0.6
69.48029	4.9
71.01389	69.4
72.01737	0.9
72.99324	3.5
73.02953	11.3
75.00863	1.0
83.01398	4.6
83.05041	0.9
85.02959	22.3
87.00900	1.9
89.02452	32.2
95.01392	5.3
95.05045	1.3
97.02955	5.7
99.00887	4.7
101.02456	31.1
102.02795	1.4
105.07107	1.9
108.05844	2.1
109.06571	1.8
111.04540	1.0
113.02463	25.2
113.06100	2.8
119.03513	11.1
122.03757	1.7
123.08160	3.6
125.02448	1.0
125.06113	3.5
129.01994	0.9
131.03531	1.1
136.05336	3.0
137.06148	1.9
138.06886	22.7
139.07678	9.7
143.03535	3.2
149.06137	1.2
151.07658	23.8
152.04820	2.8
152.08446	48.0
153.09227	100.0
154.09552	6.1
159.03008	3.3
161.04567	16.8
163.11328	3.5
165.09236	2.1
167.07094	1.5
169.01399	0.8
179.05670	3.1
187.11501	0.8
189.09206	1.1
190.09988	2.3
205.12340	31.5
206.12631	2.3
223.13400	16.5
224.13693	1.4
385.11490	0.9
385.18701	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	385.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.4
56.55753	1.5
57.03451	5.4
58.00592	4.5
59.01388	81.4
61.98829	2.4
66.17171	1.8
69.72520	6.9
69.72928	3.4
71.01390	69.7
72.99311	3.9
73.02959	8.4
75.00878	4.4
79.50974	1.5
81.03448	1.7
83.01397	5.0
83.05071	2.5
85.02950	16.4
87.00887	6.6
89.02456	45.1
92.65005	1.6
95.01395	5.6
95.76147	1.5
95.88944	1.5
97.02974	3.8
99.00901	3.7
101.02453	33.4
107.01329	1.7
111.00944	2.6
113.02465	29.4
113.06106	3.3
113.36567	1.8
115.03980	1.7
119.03513	19.1
119.05028	4.1
120.05836	3.7
120.50111	1.5
121.02981	5.1
121.53745	2.0
125.02443	5.7
127.92010	1.5
129.02002	1.6
133.10236	4.8
135.11844	14.5
138.06883	2.1
143.03517	3.6
143.04517	1.8
143.08711	2.0
146.07397	5.3
149.09758	3.3
151.07655	1.6
152.08406	3.2
153.09196	8.2
159.08231	2.5
159.11845	4.9
161.04579	13.4
161.09726	39.8
162.10056	2.6
169.01469	3.2
169.47356	1.6
177.03357	3.0
177.12895	3.1
179.05640	5.7
179.10789	100.0
180.11159	7.7
185.11896	2.4
187.11250	7.6
188.18465	1.6
203.10797	15.4
204.11281	2.8
205.08871	2.2
205.12375	16.1
221.11891	3.2
223.09784	60.3
223.13091	9.7
224.10147	5.2
233.11909	4.3
265.10797	2.8
269.04346	2.5
285.04019	2.6
341.03000	3.6
385.01953	3.4
385.14755	3.2
385.18753	3.8
385.22818	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1871
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01880	1.2
57.03463	1.5
58.00603	4.5
59.01385	100.0
60.01715	1.1
64.24183	0.9
67.83622	0.9
70.88606	1.6
71.01389	66.3
72.01737	1.8
72.99334	4.7
73.02953	2.6
82.68576	0.7
83.01411	2.0
85.02957	11.6
87.00887	4.0
89.02453	75.4
90.02802	1.5
95.01387	5.2
96.96076	1.1
97.02980	1.1
99.00903	2.1
101.02456	36.5
102.02798	1.1
109.02998	0.9
113.02464	26.9
119.03520	29.8
125.02457	4.1
125.06070	1.0
126.02749	1.0
129.90160	0.8
131.03503	3.2
136.05244	0.9
137.02422	1.0
143.03532	3.6
149.04588	2.8
151.07640	2.8
152.08408	2.2
153.09206	6.3
161.04561	4.3
161.09731	1.1
163.11356	1.3
169.01402	4.6
170.75699	0.8
179.05627	6.0
179.10762	2.2
205.12318	9.4
223.09949	1.0
223.13417	13.8
224.13776	1.2
247.02371	1.5
299.99341	0.9
300.99973	1.2
385.11493	1.4
385.18701	7.7
405.90005	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.6
57.03462	2.6
58.00590	1.2
59.01384	38.9
69.03467	1.6
71.01389	31.3
71.04299	1.7
72.99336	1.3
73.02950	5.2
75.00885	1.6
83.01408	2.4
83.05053	1.8
85.02957	12.0
86.69363	1.2
87.00886	1.5
89.02452	22.0
95.01407	3.5
97.02985	1.8
99.00887	2.8
101.02451	13.7
105.41087	1.2
107.01410	1.3
108.02206	2.2
109.02962	2.8
113.02459	17.4
113.06050	1.3
119.03502	7.5
120.05813	1.5
125.02470	9.6
125.06136	1.3
131.03493	1.4
133.10234	3.3
135.11832	15.1
137.06062	1.5
139.07558	1.2
143.03484	1.6
146.07378	1.3
149.09734	1.5
151.07634	2.7
151.11293	4.5
152.08441	1.5
153.01991	1.7
153.09238	9.3
159.08154	3.2
159.11823	4.2
161.04559	6.5
161.09735	22.0
162.10048	1.4
164.08453	1.3
165.09264	1.4
169.01465	11.4
177.12878	2.1
179.05608	1.9
179.10791	100.0
180.11044	5.9
187.11356	2.2
189.01823	1.1
193.12338	1.7
203.10815	9.0
205.12404	8.2
208.11095	2.9
221.11856	5.4
223.09795	58.5
223.13280	22.5
224.10190	5.8
265.10745	3.2
299.01871	1.8
341.03085	1.8
341.15988	3.2
352.99402	2.2
385.01999	3.3
385.11014	2.2
385.18875	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63152	1.1
59.01108	1.7
59.01386	25.6
61.00098	1.0
64.12590	0.9
69.03464	1.6
71.01389	15.0
72.99289	1.1
75.04774	1.3
83.01381	1.5
85.02953	6.4
87.04538	1.4
89.02452	12.0
92.23476	1.0
95.01387	2.0
98.20776	1.8
101.02449	8.2
105.07060	1.1
106.12405	1.0
111.04507	1.5
113.02464	13.8
113.06087	1.2
119.03515	3.4
120.05817	1.9
125.06128	1.0
133.10243	2.8
134.99969	1.2
135.04552	1.7
135.08234	1.0
135.11815	15.7
136.12106	1.6
143.03477	1.2
143.08641	1.3
146.07384	1.8
149.09850	1.0
159.08168	1.5
159.11810	3.4
161.04579	2.0
161.09729	17.0
162.10039	1.6
177.12877	2.3
179.05545	2.4
179.10797	100.0
180.11110	7.6
193.12289	1.3
203.10799	12.8
204.11043	1.3
205.08548	1.4
205.12427	2.0
221.11761	4.6
223.09778	52.0
224.10129	5.8
261.66235	1.0
265.10748	4.1
385.15112	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68489	1.0
53.00301	1.2
55.01873	1.5
55.04482	1.0
57.03444	1.5
58.00597	1.5
59.01386	44.0
66.14887	1.0
69.03445	1.0
69.28259	9.1
71.01389	32.1
72.56678	1.1
72.99304	3.4
73.02950	4.4
79.05537	1.0
79.95750	1.2
84.78040	0.9
85.02956	10.8
87.00891	1.3
89.02454	24.4
93.03466	2.5
94.19757	1.1
95.01393	3.7
101.02453	14.8
105.07081	1.1
111.04525	2.6
113.02464	19.6
116.98180	1.0
119.03522	9.1
120.05817	1.7
121.10294	1.4
125.02464	2.5
125.06110	1.9
129.94382	1.1
131.03560	1.5
133.10233	3.7
133.35031	1.2
135.11818	18.4
137.02484	2.4
143.03511	1.3
146.07442	2.2
149.09758	1.8
151.07655	1.3
152.08536	1.4
153.09233	2.8
158.00386	1.0
159.08206	2.1
159.11790	2.6
161.04584	4.9
161.08479	1.9
161.09738	26.2
162.10072	1.5
163.11337	7.4
169.01500	1.4
175.11328	5.3
177.12849	2.9
179.05666	1.8
179.10785	100.0
180.11113	4.1
187.11292	2.6
194.85110	1.2
203.10803	10.2
205.08640	1.6
205.12347	24.6
206.12738	1.3
221.06569	2.2
221.11855	4.0
223.09781	44.4
224.10091	3.7
233.00627	1.2
265.10843	3.4
385.15051	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	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59206	0.7
56.27877	0.8
57.03466	1.1
58.00584	1.4
59.01385	31.3
66.36736	0.7
68.95789	0.8
69.03432	0.8
71.01392	20.3
73.02943	3.4
75.00876	1.5
76.32220	0.8
78.54571	0.8
81.98788	0.8
82.33545	0.7
83.01400	1.7
83.05043	1.1
85.02965	5.9
85.49240	0.8
87.00914	1.0
89.02460	18.0
93.03516	0.9
95.01400	1.6
98.19883	2.3
100.60211	0.8
101.02466	9.1
102.20678	0.7
111.04504	1.0
113.02475	11.9
114.80710	0.8
119.03512	5.3
120.04924	0.7
120.05807	2.9
121.10253	1.1
123.02691	0.8
125.02434	0.8
125.06084	1.8
133.10262	5.2
133.44481	0.8
135.11826	17.0
136.12164	1.0
143.03542	1.0
143.08656	1.0
146.07387	3.4
147.11758	1.0
159.08167	2.7
159.11816	3.5
161.04527	1.9
161.09731	30.7
162.10056	2.1
175.11432	1.0
179.05611	2.1
179.10789	100.0
180.11124	6.5
193.12312	1.5
203.10805	9.9
204.11052	1.5
205.08772	1.6
206.16954	1.0
221.11800	2.5
223.09773	50.6
224.10054	3.6
233.11845	1.5
251.12737	1.1
265.10858	3.9
295.11581	0.8
297.18814	0.8
325.12949	1.8
362.61978	0.8
385.14899	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52384	1.7
59.01386	45.1
61.82959	1.5
69.48670	12.8
71.01391	30.3
83.37451	1.3
85.02953	7.0
87.65540	1.5
87.95474	1.7
88.29057	1.6
88.29654	1.6
89.02451	25.3
95.01402	3.2
101.02458	10.1
106.63148	2.0
110.70738	1.8
113.02463	16.1
119.03524	7.3
120.05803	4.9
133.10297	5.8
135.11815	20.9
143.03526	2.3
143.08707	2.3
146.07390	5.2
159.11816	5.3
161.09724	40.5
179.05670	3.9
179.10785	100.0
180.11220	5.0
192.09802	1.8
203.10789	13.9
215.28050	2.0
221.11858	4.9
223.09760	59.9
224.10104	3.3
265.10797	2.3
283.99594	2.2
304.09320	1.6
358.14856	1.8
360.67880	1.9
385.02069	4.0
385.14990	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1143
Annotation	Axitinib
Peak:m/z	Relative Intensity
53.17673	0.5
55.01885	1.1
57.03455	1.1
58.00600	0.6
59.01386	9.2
67.01884	1.3
68.40401	0.5
69.03440	0.6
71.01389	9.5
72.99309	1.7
73.02956	2.6
75.00900	0.6
78.91919	0.8
79.01900	1.6
81.29322	0.4
83.01398	3.3
85.02958	5.3
87.00884	1.1
89.02469	3.2
95.01392	3.0
96.01073	0.5
97.02950	0.8
99.00893	1.7
101.02464	7.0
107.01410	4.5
111.00887	2.5
113.02468	3.0
119.03524	1.2
123.00906	15.7
124.01691	1.6
125.02462	18.7
126.02787	0.5
127.00406	1.2
129.01910	0.6
136.98846	1.7
137.02463	0.9
139.00389	6.9
140.01196	4.2
141.01927	2.4
151.00391	13.5
152.08437	0.8
153.01933	0.6
153.09222	2.1
153.87543	0.5
154.99823	0.6
159.02962	0.7
161.04594	1.4
168.00656	3.8
169.01445	22.6
170.01726	0.7
177.04137	2.5
179.10770	0.5
181.05000	0.6
204.27252	0.4
205.12331	1.8
210.75388	0.4
223.13371	0.8
263.28796	0.4
313.05750	0.8
361.12808	0.6
385.11417	100.0
386.11813	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	385.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.9
55.35798	0.9
57.03451	1.3
57.95655	0.9
59.01386	11.7
70.30327	2.1
70.30720	2.2
71.01381	7.2
73.02953	3.2
85.02959	2.2
87.33409	1.0
89.02454	6.1
95.01368	2.1
95.05003	0.9
96.88731	1.0
97.02946	2.0
101.02448	4.0
109.06633	1.5
113.02456	6.1
119.03461	2.0
125.06115	2.0
133.10249	1.3
135.11823	17.5
159.08110	3.2
159.11781	3.1
159.88921	0.9
161.04535	1.9
161.09718	8.7
163.11432	1.2
177.12825	2.0
179.10786	100.0
180.11121	7.0
203.10843	6.2
205.08691	2.0
221.11842	2.8
223.09779	69.8
224.10059	5.4
265.10901	4.7
265.14120	0.8
280.15186	1.0
325.12958	1.3
377.45554	1.3
385.14883	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0932
Annotation	Melisimplexin
Peak:m/z	Relative Intensity
59.01374	11.1
65.00317	12.3
69.03484	2.9
71.01404	16.6
71.56480	3.3
73.99739	2.6
81.03465	2.8
82.40144	2.6
89.02435	3.2
91.01903	74.5
92.02244	3.5
93.03453	4.1
95.73956	2.8
99.00903	3.6
101.02434	6.4
108.02178	9.3
109.02234	3.9
109.02958	57.0
110.03287	2.7
115.05477	3.5
119.01385	10.1
119.05009	3.2
121.02950	11.2
125.02445	4.1
133.03044	2.7
133.06561	3.3
139.07687	2.7
139.40112	2.6
141.03432	4.6
143.05043	50.6
145.02974	6.5
152.08437	5.2
153.09251	3.3
158.03677	3.8
159.04486	11.8
161.06088	100.0
161.09763	2.9
162.06490	5.6
165.01938	16.8
171.04532	4.9
173.06068	11.8
174.03152	4.1
179.10782	11.1
181.85428	2.9
189.05585	33.5
207.08212	3.8
217.05016	17.4
223.09735	19.2
234.06776	10.0
235.07698	6.5
247.02428	5.4
247.09824	6.3
256.52606	3.0
263.07135	31.4
264.07571	4.5
279.06497	3.3
293.08221	13.5
300.99841	4.0
334.83344	2.5
337.07095	4.7
341.10321	4.5
351.37424	2.8
385.09283	97.2
385.13947	5.3
386.09647	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	385.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28951	1.6
54.23150	1.7
59.01394	9.0
61.98836	6.6
69.40674	3.6
69.41082	7.6
71.01405	2.2
72.99335	2.3
85.02991	2.1
88.08257	1.8
93.03485	2.1
103.15005	1.5
108.04617	2.3
111.00893	2.8
118.02959	1.9
119.05041	97.7
120.05375	2.8
123.00921	2.1
137.02406	1.8
144.04572	2.8
145.02942	2.2
147.04492	3.1
149.06027	1.9
161.02483	2.6
162.05641	3.8
163.00365	2.7
163.04031	100.0
164.04382	6.3
168.74973	1.5
169.01442	1.8
173.02458	2.7
175.04016	6.0
177.01884	2.2
177.05559	2.6
185.02399	1.9
188.03552	2.8
189.01913	4.0
191.03572	6.0
201.01924	3.0
203.03537	6.6
217.01381	5.0
219.03056	3.1
221.04587	2.3
223.02460	1.7
229.01479	2.4
245.01012	4.1
247.02432	14.1
261.00552	2.7
265.03525	5.2
273.00372	7.4
275.02121	4.0
291.01434	2.0
299.99255	1.8
300.99899	40.9
302.00418	4.2
305.03040	2.3
386.10962	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	383.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54862	1.0
59.01386	100.0
69.37300	10.0
71.01391	14.7
73.02956	5.5
77.54893	1.3
78.95908	1.7
83.01399	1.8
84.16338	1.1
85.02959	6.2
87.00904	2.2
89.02465	8.8
91.67352	1.0
94.27111	1.1
95.01433	1.5
96.96997	1.4
99.00873	2.0
101.02453	12.8
102.02865	0.9
103.04054	1.2
111.00920	1.0
113.02465	7.1
117.48277	1.0
119.03518	4.8
131.47072	1.1
143.03506	1.5
161.02469	1.6
161.04575	9.6
163.03989	2.2
170.06706	1.2
173.02527	1.3
187.00381	1.2
189.02011	1.6
191.03549	1.9
207.13191	1.4
218.02290	1.5
245.01018	1.2
247.02669	1.5
261.00443	2.4
273.00464	1.3
286.98422	1.9
300.99991	2.7
323.17120	43.4
324.17526	4.4
325.92682	1.3
356.36407	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.3171
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	1.6
60.04475	1.0
67.49630	0.9
68.05016	0.9
69.66712	1.0
70.06881	3.4
73.86292	0.9
81.41179	0.9
85.84526	0.9
93.41183	0.9
184.30528	1.0
321.31631	66.5
322.31949	10.5
325.18204	1.7
337.34543	2.2
365.30624	16.9
366.30832	2.2
383.31644	100.0
384.32016	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	383.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31432	1.0
53.01122	1.1
53.56994	1.0
57.03445	1.3
59.01385	100.0
60.01708	2.0
61.98825	2.4
69.49088	7.0
69.49513	2.2
71.01388	14.9
73.02961	4.2
80.38683	1.0
85.02973	5.5
89.02451	10.0
89.75632	1.1
95.01402	1.9
101.02461	11.4
102.17912	1.2
113.01823	1.1
113.02444	6.6
119.03528	5.2
119.04972	1.1
119.45612	1.0
133.37721	1.1
145.50679	1.3
161.02489	2.0
161.04578	7.6
161.11952	2.2
176.03505	2.8
177.03859	3.8
179.05618	1.2
187.00323	1.1
189.01907	2.2
217.01509	1.2
247.37469	1.3
259.99533	1.5
295.14438	1.2
299.53635	1.2
300.99991	2.6
323.17120	47.9
323.20944	2.6
324.17383	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.33521	1.5
59.01370	1.5
59.14922	1.5
67.49887	1.3
70.38814	2.7
70.39214	3.3
74.61198	1.3
78.95911	2.1
89.97939	1.4
92.41470	1.4
96.96974	3.0
97.75323	1.5
108.02184	63.3
109.03001	11.0
143.00638	1.6
151.04025	2.1
152.01167	56.5
153.01982	25.9
163.03967	1.6
177.01941	1.7
210.26224	1.6
285.06183	100.0
286.06442	5.8
314.05728	1.6
383.05753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25787	1.3
56.44503	1.3
57.68590	1.5
59.01376	4.5
67.63704	1.4
69.46401	1.6
70.97775	1.4
71.01382	3.1
72.99299	1.3
77.59988	1.5
78.95900	2.0
87.00919	1.7
96.96018	25.3
96.96964	2.5
101.02460	2.0
101.82377	1.3
108.02177	64.0
109.03003	11.8
114.93410	4.3
121.02972	1.7
133.02968	2.4
152.01163	50.3
152.67560	1.9
153.01956	24.4
163.04037	3.0
176.01234	1.7
177.01955	11.2
187.00357	2.2
189.01968	2.7
203.03406	1.7
228.12871	1.6
285.06180	100.0
286.06503	8.0
300.99817	3.4
383.06311	3.7
383.20715	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	381.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14614	4.8
57.34276	4.1
58.74677	4.6
58.78509	4.0
66.92216	4.8
67.03847	4.2
70.96919	9.3
79.95762	9.6
96.96014	74.2
99.81099	4.6
106.78367	5.6
111.60685	5.0
114.54102	4.9
122.03729	5.9
146.56319	5.0
148.92204	5.2
188.16466	4.7
294.38254	5.2
345.28036	54.1
346.28329	7.0
381.23166	100.0
382.23373	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	382.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45921	0.7
54.90731	0.9
55.01881	1.1
57.03444	1.1
58.00567	0.8
59.01388	25.2
60.01719	1.5
71.01383	12.1
73.02952	1.7
75.00877	17.7
76.89187	0.9
78.03819	0.8
78.95914	2.9
83.01398	1.4
85.02950	3.6
87.00889	17.6
89.02464	8.6
93.03452	1.3
95.01395	1.5
99.00901	2.0
101.02444	7.0
113.02471	4.1
115.05554	6.1
116.05074	3.4
117.03506	2.1
118.14596	0.8
119.03496	2.0
119.05019	1.2
120.99673	4.2
122.99247	2.1
123.00942	1.3
125.02444	1.2
126.29361	0.9
130.06624	9.9
131.01392	1.7
132.02280	1.1
132.04573	29.5
133.02968	1.6
133.04953	1.3
144.04558	1.5
145.02997	2.5
147.00903	1.0
157.05318	1.2
158.06137	100.0
159.06488	5.5
161.02480	5.3
161.04568	2.1
163.00385	1.8
163.04042	3.1
169.01367	1.2
174.05635	3.8
175.02740	5.4
176.03561	45.3
177.02017	1.8
177.03883	2.7
187.00430	1.5
189.01987	3.1
190.02785	1.1
191.03511	1.7
202.05130	46.4
203.03648	0.9
203.05507	2.7
205.01398	1.5
214.99928	2.7
216.00642	1.5
217.01480	2.8
219.03036	1.3
220.06137	8.7
229.01385	1.3
233.00885	1.2
237.06154	8.8
249.06175	12.5
259.99701	1.5
261.00388	2.1
286.98413	1.1
301.00052	4.2
322.15964	3.2
323.16879	1.3
333.02441	1.6
338.08945	3.6
382.11548	56.0
383.11789	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	382.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16881	0.5
55.01894	0.7
59.01387	10.0
59.05054	0.5
71.01391	7.2
72.99349	0.7
73.02962	1.3
75.00884	18.3
76.01204	0.6
83.01404	0.9
85.02969	1.9
87.00883	15.7
89.02443	3.4
95.01391	1.0
99.00894	0.7
101.02471	4.3
113.02452	3.0
115.05547	6.5
115.70119	0.5
116.05119	3.2
116.05840	0.8
117.01930	1.1
119.03516	1.4
130.06625	8.4
132.04568	24.9
133.04898	1.3
144.04626	1.3
146.06062	0.6
148.07808	0.6
157.05310	1.1
158.06128	100.0
159.06450	5.6
167.36163	0.6
174.05595	3.4
184.23015	0.6
202.05116	43.9
203.05377	2.9
203.10777	0.7
204.93274	0.6
213.84314	0.5
220.06145	6.2
221.11740	0.9
237.06155	7.6
249.06155	10.5
262.07285	1.3
300.99997	0.6
382.11456	53.5
383.11749	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	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.81957	0.9
59.01385	100.0
60.01725	1.2
63.45445	1.1
71.01389	12.7
71.30164	1.9
73.02955	6.1
83.01385	2.6
85.02964	5.7
89.02467	3.1
95.01401	1.2
99.00897	1.1
101.02444	12.6
101.26087	0.9
103.04006	1.7
113.02457	5.6
159.02948	1.8
161.04588	8.5
188.52158	1.2
208.32951	1.0
213.68243	1.1
277.12949	23.8
303.14505	26.9
304.14893	1.9
320.34842	1.2
388.57755	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.177
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15443	0.7
55.01880	4.8
57.03456	4.0
58.00599	1.3
59.01385	32.7
60.01720	0.9
69.32346	6.6
71.01389	50.5
72.99297	1.9
73.02953	27.3
75.00884	1.4
83.01397	12.3
85.02960	27.9
85.06629	0.7
86.00109	1.8
87.00894	3.5
87.08183	1.0
89.02448	8.8
92.81000	0.7
95.01385	6.4
97.02967	2.7
99.00886	11.6
99.33965	0.7
101.02452	56.7
101.06093	1.2
102.02792	1.6
107.01380	2.7
109.03078	0.7
111.00906	2.3
113.02462	20.1
115.04041	1.4
119.03461	0.9
123.00893	10.4
125.02458	8.0
129.01961	1.8
131.03540	4.0
132.12825	0.8
139.00404	1.0
143.03491	2.6
145.02939	1.2
149.04596	1.5
157.08730	0.9
159.03011	4.6
161.04567	19.4
163.03986	0.9
166.99890	7.6
169.01437	6.3
171.00766	1.3
172.01646	1.0
173.02490	1.0
195.20876	0.7
201.01892	2.3
222.63281	0.8
229.01395	2.6
233.06766	3.6
247.02522	0.9
249.13449	100.0
250.13771	6.5
271.99435	1.1
273.00400	1.5
284.02536	0.9
293.08801	1.3
298.98389	1.5
299.99326	1.0
300.99939	2.4
306.01944	0.9
328.31830	0.8
381.17691	78.3
382.18097	10.2
402.77823	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	6.3
57.03453	3.4
57.08672	0.6
58.00595	1.2
59.01384	34.7
60.01722	1.0
68.41695	0.8
69.03461	1.6
71.01389	50.4
72.01743	0.8
72.99315	2.6
73.02953	26.5
75.00881	1.2
79.01907	0.7
81.03490	0.9
83.01398	11.7
85.02959	26.8
85.06612	0.8
86.00121	1.9
87.00890	2.8
87.08176	1.1
89.02452	10.1
90.54519	0.8
92.71725	0.7
95.01411	4.8
97.02971	2.6
99.00888	13.4
100.01262	0.6
101.02454	60.6
102.02811	1.6
107.01412	1.4
111.00901	2.0
112.01200	0.6
113.02460	21.9
115.04005	1.5
118.90710	0.7
123.00896	6.0
125.02469	5.8
129.01952	1.8
129.78932	0.6
131.03508	2.8
131.87852	0.8
141.01947	1.6
143.03484	2.4
149.04533	2.3
155.77364	0.7
157.08745	1.1
159.03040	4.5
161.02504	0.9
161.04573	19.4
166.99858	5.0
169.01399	4.7
175.04005	0.8
201.01941	1.3
209.00458	0.7
211.02466	0.8
219.02975	0.9
229.01343	1.3
233.06670	2.6
249.13448	100.0
250.13828	9.2
271.99966	0.8
284.02576	0.9
293.12296	1.0
298.98468	0.7
299.99106	0.9
300.99976	2.4
381.17676	85.9
382.02835	0.8
382.18036	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	380.1565
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
51.83552	0.5
55.01883	0.5
57.76054	0.5
59.01387	21.9
71.01391	36.2
71.05033	7.0
71.35266	0.8
72.99314	0.8
73.02962	0.9
75.00903	0.6
78.25493	0.5
78.95911	2.3
83.01386	1.4
85.02961	3.3
86.69781	0.6
87.00896	1.0
88.04060	4.4
89.02446	8.6
93.50923	0.5
95.01385	0.6
96.96031	0.8
96.96960	2.1
99.00882	0.7
99.04513	2.0
101.02452	10.8
113.02472	4.5
116.07203	1.1
119.03494	2.8
120.99690	3.3
128.07233	2.8
129.05598	0.8
146.08246	61.0
147.08574	2.2
161.04579	2.0
200.09270	1.0
205.89528	0.5
218.10298	1.0
222.48442	0.6
231.81778	0.6
263.11407	0.9
288.87827	0.6
303.14185	0.9
308.13571	7.1
362.14703	2.0
380.15643	100.0
381.15994	9.9
399.69632	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93728	0.5
57.03438	0.8
58.00598	0.7
59.01385	100.0
60.01720	1.5
68.84916	0.6
71.01392	8.5
73.02950	0.6
82.35905	0.6
83.01394	1.0
85.02988	1.9
87.00874	3.0
89.02452	9.2
98.19846	1.3
101.02483	2.6
113.02492	2.2
119.03471	1.0
120.99670	1.5
131.03551	1.1
140.10889	0.8
142.12399	2.0
161.04524	1.1
175.04138	1.3
188.82259	0.7
229.21266	1.0
320.17151	4.4
380.16797	1.1
381.17496	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	381.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
55.82680	0.3
56.92483	0.5
57.03460	0.4
58.64599	0.3
59.01388	12.7
60.01718	0.6
69.38826	2.4
71.01390	6.4
72.01730	0.5
73.02957	2.1
75.00896	0.5
78.95919	0.3
83.01408	1.3
85.02965	3.1
87.00909	0.6
89.02480	0.8
95.01407	0.6
98.88496	0.3
99.00906	0.7
101.02459	4.0
102.02740	0.3
112.73933	0.3
113.02444	2.0
117.03480	23.7
118.03826	0.8
118.15170	0.3
119.05043	5.5
145.02972	100.0
146.03291	5.0
159.02991	0.3
161.04596	1.2
163.04034	11.0
164.04373	0.6
198.93555	0.3
243.33083	0.3
247.06171	0.3
269.21008	0.3
297.20645	0.3
307.08264	0.5
321.19226	0.9
380.23798	0.5
381.11945	29.5
381.23828	1.2
382.12231	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	381.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
57.03445	0.8
58.00597	3.1
59.01385	71.0
60.01725	1.0
61.21333	0.7
67.37340	0.7
69.03477	0.8
71.01389	38.7
71.55717	0.8
72.01723	0.9
72.99316	2.6
73.02948	1.6
78.43565	0.7
78.95910	8.0
83.01410	1.6
85.02958	8.6
86.02488	1.8
87.00884	3.0
88.08508	0.6
89.02457	44.3
89.55198	0.6
95.01402	2.9
96.96026	1.4
96.96966	11.3
97.02932	1.0
99.00870	1.5
101.02455	31.3
113.02461	14.7
116.05064	2.0
119.03523	24.1
119.04349	1.7
120.99683	1.3
125.02448	2.5
128.05078	2.4
129.02087	0.9
130.06636	7.9
131.01743	1.1
131.03664	3.1
132.04584	2.4
134.04823	0.9
141.04575	1.0
143.03494	2.9
144.04565	2.0
149.04568	1.3
155.06163	2.6
157.07729	100.0
158.08098	4.8
159.06628	1.2
161.04572	2.0
176.03569	2.2
179.05681	3.8
181.07736	2.5
191.05518	1.2
199.08794	1.9
201.06721	22.8
202.07042	1.5
214.88306	2.2
219.02977	0.9
232.88873	0.7
243.07719	0.9
261.08871	4.8
267.88382	0.7
277.13040	0.9
300.99976	0.9
330.89359	1.4
343.12372	3.5
381.13107	46.1
382.13599	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	379.2413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52780	5.4
64.77885	5.2
66.45778	5.3
85.27998	5.0
94.53925	5.1
96.96016	17.4
97.31457	6.1
98.19945	16.2
122.03731	16.1
129.51477	5.7
129.66196	5.9
135.04605	7.8
193.81216	5.7
243.84315	5.9
255.23271	19.2
288.38409	6.7
343.26511	100.0
344.26648	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	380.0485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12777	0.3
54.92144	0.3
59.01387	8.8
65.31760	0.3
68.79016	0.3
70.13190	0.3
71.01391	2.2
71.56568	0.6
72.99329	0.4
73.02928	0.5
75.00883	0.4
78.76809	0.3
85.02942	0.7
89.02448	1.8
91.15389	0.3
101.02444	1.6
109.02940	0.3
113.02479	0.7
119.03513	1.0
120.99670	100.0
122.00034	1.9
122.06200	0.5
125.02449	0.6
136.03961	0.4
147.04507	0.3
151.07941	0.3
158.49249	0.3
161.04555	0.8
169.01489	0.4
170.02759	0.4
179.05658	0.4
216.09383	0.3
219.03055	0.4
226.53938	0.4
246.49524	0.4
256.11987	0.4
258.04501	0.9
277.12543	0.4
301.00003	0.8
321.15491	1.3
380.10892	0.6
380.16702	0.4
381.13281	0.5
381.17563	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46807	0.7
59.01387	100.0
60.01730	1.4
61.98855	0.9
71.01402	2.6
71.56686	0.9
73.02969	1.1
83.25751	0.8
85.02995	1.2
96.34821	0.6
96.96038	1.1
101.02458	2.3
113.02492	1.4
161.04610	1.4
300.91147	0.8
319.21362	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	379.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26163	0.9
53.03039	0.9
55.01885	8.6
57.03466	5.7
58.00594	3.0
59.01387	79.4
60.71991	0.9
69.57140	6.4
71.01389	94.7
71.05013	1.6
72.01707	1.7
72.19604	1.0
72.99319	4.0
73.02555	2.0
73.02955	34.8
75.00871	2.3
83.01393	18.3
83.27149	1.1
85.02962	46.5
86.00097	2.1
86.03284	1.7
87.00871	5.0
89.02460	20.7
95.01401	7.1
97.02983	2.8
99.00882	13.7
101.02454	87.4
102.02790	2.7
111.00897	8.4
113.02464	40.3
117.03452	1.4
119.03505	7.4
122.03748	1.9
125.02460	3.7
128.20564	0.9
129.01945	2.0
131.03481	1.4
143.03546	4.5
145.02963	4.0
148.73538	1.1
159.03000	12.9
161.04576	39.8
179.05676	1.4
185.31454	0.9
217.18063	7.2
319.18011	1.2
379.23407	100.0
380.23740	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	379.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	8.5
57.03460	5.5
58.00592	2.5
59.01388	75.5
66.27610	1.2
69.03480	1.1
69.77486	6.7
71.01389	81.4
72.99306	3.2
73.02957	31.0
75.00877	1.7
83.01398	17.8
84.01678	1.2
85.02960	43.2
85.03474	2.6
86.00127	2.5
87.00874	6.1
89.02439	16.2
95.01422	7.0
96.51135	1.2
97.03007	1.5
98.19961	1.7
99.00894	12.6
101.02457	78.1
102.19889	1.2
111.00893	7.8
113.02461	34.7
113.03254	1.8
119.03500	5.8
123.26205	1.3
125.02431	3.4
129.01952	2.9
141.01968	1.4
143.03520	3.2
159.03001	11.2
161.04578	35.5
169.01442	1.5
203.88176	1.1
205.03430	1.3
215.16560	1.1
217.18135	7.3
294.63510	1.0
319.17645	4.4
347.00305	1.6
379.23401	100.0
380.23770	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	378.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66988	0.6
59.01385	100.0
60.01707	0.8
70.15015	0.6
71.01389	15.7
71.56513	0.8
72.99323	1.0
73.02961	3.8
75.00893	0.9
83.01407	1.7
85.02962	4.7
89.02449	9.6
95.01422	2.8
95.53467	0.7
97.02949	0.9
99.00880	1.6
101.02460	9.6
111.00883	0.8
113.02464	6.9
117.03497	1.9
119.03536	4.0
119.05058	1.5
123.00915	1.6
125.02457	3.9
133.02940	1.6
134.03325	0.9
135.04610	0.8
137.02446	0.9
143.03566	1.8
145.02991	3.2
146.03392	1.5
147.04579	1.5
156.10349	0.9
157.03012	0.9
159.03038	1.4
159.04532	1.2
160.04919	0.9
161.02550	3.5
161.04564	11.7
162.02834	1.1
163.00377	1.2
163.04005	1.3
165.02037	1.0
169.01476	2.4
173.02484	2.7
174.03035	0.9
175.03978	1.6
176.04494	0.8
177.01944	2.0
179.05603	1.2
185.02510	2.2
189.02000	3.1
190.02661	2.2
191.03433	4.7
192.03935	2.1
201.02016	2.7
202.02370	1.3
203.03474	1.8
209.00859	0.9
216.06728	1.6
216.30391	0.7
217.01402	5.4
218.01810	1.9
219.03200	1.3
220.03477	0.8
229.01498	2.9
230.01797	1.9
231.03040	1.4
233.01077	0.9
245.00853	4.5
246.01384	2.2
247.02483	11.7
248.02838	7.5
257.01013	2.2
258.01572	0.8
259.02127	0.7
273.00415	8.4
274.00870	4.8
275.01968	3.7
276.02386	2.4
283.99802	1.1
291.01834	1.1
299.99289	2.0
300.99908	40.0
302.00232	29.3
302.03693	1.5
303.00400	4.9
318.15555	10.2
319.13861	0.8
333.02600	0.9
334.03119	0.8
378.12112	2.3
379.16333	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	379.1614
Annotation	3-Methyl-2-butenyl 6-O-alpha-L-arabinopyranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01867	1.0
57.03442	1.7
57.93804	1.0
58.00584	1.7
59.01385	67.2
64.05088	0.8
69.41180	4.2
69.41599	2.6
71.01390	28.3
72.99313	2.7
73.02944	3.5
82.79931	0.8
83.01383	2.4
83.05030	3.6
85.02966	6.9
86.27838	0.9
87.00873	1.8
87.93806	0.8
89.02453	29.3
95.01390	3.5
99.00903	1.4
100.69807	0.9
101.02448	19.9
113.02460	9.3
119.03511	12.0
125.02466	1.3
131.03539	2.0
137.09723	10.4
149.04536	1.4
155.10788	30.1
156.11147	1.7
157.08701	3.9
161.04599	3.4
167.19922	0.8
169.01405	0.8
179.05606	2.2
181.08749	4.3
199.09767	53.0
200.10088	2.8
215.09193	1.0
217.10829	6.2
218.63306	1.0
247.11942	5.0
257.08014	0.9
319.13882	2.2
342.82358	1.0
361.14871	1.1
379.16101	100.0
380.16403	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	377.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03444	1.3
58.00610	0.6
59.01387	11.1
59.01690	0.6
68.99843	0.5
69.03460	0.6
69.26003	0.7
69.26408	2.5
71.01387	12.2
72.99324	1.1
73.02950	3.6
83.01400	2.6
85.02959	5.2
87.00880	1.8
89.02444	2.0
93.03478	0.7
95.01395	1.0
99.00877	1.3
101.02446	6.6
102.02774	0.3
103.74533	0.3
111.00887	1.2
113.02457	3.1
119.03504	0.6
123.00902	0.4
124.01666	0.5
125.02460	1.5
133.28337	0.4
134.31026	0.4
137.02428	0.5
143.03554	0.3
169.01482	1.5
169.15944	0.7
189.55287	0.4
197.15460	1.0
198.15703	0.4
215.16528	26.3
216.16896	1.9
229.18100	0.4
245.00830	0.4
300.99835	0.9
301.04547	0.8
320.05856	0.3
359.20831	2.3
360.20911	0.4
377.21820	100.0
378.22134	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	377.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64653	4.9
59.01376	7.7
60.53273	4.3
70.04730	11.7
70.05122	9.1
71.49252	5.8
83.72594	4.6
86.82775	5.3
110.04910	5.2
122.03748	18.4
130.46466	5.3
135.04543	11.4
136.01709	7.5
138.84685	5.3
144.75858	5.2
162.94455	5.1
249.31633	4.7
257.10300	5.2
341.24829	100.0
342.25223	21.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.8
57.03460	2.0
57.87637	1.2
58.00595	1.2
59.01388	16.4
61.18348	1.4
70.07793	5.0
71.01389	17.2
72.42391	1.2
72.99297	2.9
73.02959	5.8
83.01406	4.6
85.02957	9.1
87.00897	3.5
89.02457	5.0
95.01400	1.4
99.00893	3.5
101.02454	11.8
113.02459	4.6
143.03491	1.2
147.97610	1.2
148.18260	1.3
159.03036	1.3
161.04613	3.1
162.05643	2.2
169.01434	1.9
171.08192	2.9
173.02353	1.5
197.15424	1.9
215.03326	1.6
215.13173	1.4
215.16522	27.8
242.58138	1.5
247.02496	3.4
273.00513	1.4
289.35428	1.5
300.99902	7.6
302.00418	1.7
341.10910	1.7
377.21829	100.0
377.29303	2.8
378.22156	10.7
404.70001	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.6
57.03441	2.3
59.01385	100.0
63.11947	1.2
66.64089	1.1
69.73563	5.6
71.01386	31.4
72.01679	1.3
72.99310	4.0
73.02948	10.0
74.99117	1.4
83.01388	4.2
85.02955	14.4
89.02455	4.9
95.01425	2.9
97.06586	3.9
98.20599	1.3
99.00878	5.1
101.02460	18.4
107.01379	2.2
109.02981	2.1
110.45427	1.4
111.00914	1.6
113.02468	14.2
115.04002	1.4
115.43767	1.2
123.00847	1.5
125.02459	7.7
133.02991	1.5
143.03448	2.4
145.02895	2.1
149.02487	1.5
152.86890	1.2
159.03043	1.8
159.06616	3.1
161.02467	1.4
161.03252	2.2
161.04562	34.8
162.04933	1.4
163.04094	1.9
168.00520	1.7
169.01418	6.2
175.04031	2.3
179.03482	3.8
184.23529	1.3
185.02475	1.5
189.01886	1.9
191.03503	3.4
201.01862	1.7
205.03633	2.2
217.01440	4.1
223.07765	2.2
227.03442	1.5
228.04260	5.0
229.01468	2.4
229.05170	1.7
232.03065	1.4
235.07755	3.3
241.08591	4.2
243.06631	9.8
245.00935	4.2
247.02489	7.7
253.08673	2.7
257.08157	3.7
257.12823	2.3
269.08307	1.9
273.00513	7.4
274.00717	1.6
275.02032	3.1
285.07758	2.1
292.82684	1.2
297.07547	1.7
299.98929	1.4
300.99911	17.0
301.02936	1.9
302.00330	2.4
302.03558	2.1
317.16098	24.9
318.78793	1.3
331.08194	4.2
359.07623	3.2
377.03848	2.3
377.08725	11.1
377.17657	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	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	28.6
63.24208	3.5
63.91463	3.1
69.23370	33.9
71.01387	15.7
78.95901	17.9
80.09120	3.1
85.02959	4.2
89.02459	38.5
96.96959	24.1
101.02443	12.5
103.59368	3.4
105.74901	3.2
110.96162	3.2
113.02462	10.2
115.64211	3.5
116.57590	3.6
119.03529	10.0
125.02448	4.2
131.78413	3.6
136.10599	3.9
148.99071	3.4
161.04588	6.9
166.99927	4.0
173.02448	3.3
179.05591	18.7
203.03568	4.4
215.03252	22.2
219.03127	4.1
229.01430	7.0
245.01004	7.0
247.02544	10.8
273.00476	6.5
299.99243	3.7
300.99924	52.1
302.00269	10.2
341.10907	100.0
342.11401	7.3
377.08569	56.6
378.08594	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10005	0.5
55.01887	0.9
57.03448	1.0
58.00595	1.5
59.01386	46.3
69.58575	3.8
71.01392	23.2
72.99297	2.1
73.02956	1.5
83.01390	2.3
85.02955	5.4
86.09398	0.6
87.00940	0.6
87.35458	0.6
89.02456	19.1
95.01381	2.4
100.75074	0.6
101.02455	10.8
113.02463	7.7
119.03506	5.9
137.95818	0.7
173.14102	0.6
181.42079	0.6
183.13841	0.7
195.13921	9.0
213.14923	4.4
235.84126	0.6
250.43652	0.7
343.94421	0.6
375.20261	100.0
376.20605	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	375.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29811	1.4
59.01105	2.2
59.01388	28.8
65.31075	1.4
70.54036	1.9
70.54379	3.6
78.95916	1.8
86.93845	1.7
95.05042	35.5
96.05395	1.7
97.05972	1.5
167.27562	1.6
168.41138	1.5
174.99266	4.4
189.05455	2.0
189.10757	1.8
195.13933	10.3
217.00273	15.5
223.13484	9.4
246.12370	15.4
275.20120	4.9
278.11380	79.7
279.11740	7.0
293.21274	100.0
294.21631	11.1
315.19421	18.1
316.19672	1.6
338.12262	9.2
339.12421	2.5
342.93033	1.6
375.21353	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56758	0.7
59.01107	1.1
59.01389	13.4
66.78264	0.7
68.99815	2.0
71.01388	4.1
71.29600	1.0
72.99298	1.3
73.02962	1.5
82.03021	0.7
83.01395	1.5
85.02938	1.1
87.00861	0.9
87.04555	1.0
89.00354	1.0
89.02445	1.8
93.10939	0.8
95.01411	2.3
99.00877	3.8
101.02448	3.0
107.01389	3.4
111.00932	1.2
113.02441	1.5
117.03458	2.8
119.01393	1.9
119.03535	1.2
119.05025	1.1
121.02933	1.5
123.00909	6.5
125.02467	8.9
130.00682	1.2
132.02200	5.6
133.02925	0.9
135.00836	1.0
139.00420	2.0
145.02977	4.0
147.00867	1.8
147.04517	1.7
148.01628	1.8
149.02496	1.1
156.99335	1.0
157.02937	1.3
159.00854	3.1
160.01675	8.7
160.98795	1.4
161.02409	3.4
161.04579	0.8
161.99586	1.0
163.00352	1.4
163.04019	1.4
165.01929	0.9
165.99071	1.3
169.01434	12.9
171.00897	2.0
173.02438	4.1
173.99590	2.5
174.03201	2.3
175.00371	1.9
175.03996	2.3
176.01164	2.0
184.98805	3.2
185.02454	1.3
186.98894	0.8
187.00414	4.9
188.01173	44.4
188.98352	1.8
189.01746	4.8
190.02673	2.6
191.03493	3.7
193.01419	2.1
200.01158	2.1
200.98224	1.1
201.01961	5.7
201.99098	9.8
202.99814	3.8
203.03517	11.4
203.13454	1.0
204.00549	1.6
204.03947	1.1
205.01404	1.2
205.05060	6.3
212.98302	3.5
213.99171	1.0
214.99811	3.5
215.12871	1.3
216.00587	1.7
216.97818	2.8
217.01350	6.5
217.98627	1.2
218.02156	1.9
218.99260	1.8
219.03008	2.5
228.97780	2.0
229.01392	3.3
229.98570	10.1
230.01985	1.3
230.99338	13.9
231.02975	2.8
232.00166	5.3
234.57263	0.9
235.02597	0.9
242.99335	3.7
245.00960	9.6
246.01608	2.9
247.02463	7.6
256.97171	1.7
257.00937	1.9
257.98096	4.5
258.98685	1.8
259.02405	2.3
261.00418	1.6
265.03510	1.5
272.09427	1.1
273.00439	6.9
274.01096	2.4
275.01987	24.2
276.02271	1.2
279.89456	0.9
280.03754	0.9
285.97595	1.2
287.01968	9.8
288.99844	1.1
289.06580	1.0
290.00702	7.7
291.01343	1.8
293.03033	3.0
300.99890	9.1
301.02921	1.8
301.97073	6.5
302.00082	1.3
302.03647	2.4
302.97672	1.4
305.03082	2.0
316.99490	1.1
318.00159	1.3
319.00977	2.5
321.02377	1.2
333.02484	1.8
344.98874	12.5
349.01996	19.5
350.02429	1.8
363.03366	1.2
366.96857	0.9
377.01508	100.0
377.18204	9.2
377.22375	1.4
378.01813	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	375.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	1.0
57.03449	1.8
58.00596	1.8
59.01387	43.0
60.01720	0.6
65.99842	1.2
69.30774	3.7
71.01394	25.6
72.99310	2.2
73.02941	1.5
82.83856	0.5
83.01378	1.7
85.02964	7.0
87.00876	1.5
89.02455	18.9
90.02788	0.6
95.01402	1.8
98.20700	0.7
98.47301	0.5
99.00869	0.8
101.02457	14.8
113.02460	9.4
119.03526	6.1
120.99631	0.6
122.64342	0.5
125.02452	0.9
143.03540	0.7
161.04611	0.5
166.01498	2.7
178.02570	0.5
179.05548	0.5
183.13889	0.6
188.29257	0.4
195.13921	8.9
196.14272	1.2
212.00774	4.7
213.01552	12.1
213.05518	0.6
213.11386	0.9
213.14941	3.5
222.49863	0.5
229.39624	0.5
266.86868	0.5
280.77478	0.5
300.99890	0.7
315.09012	0.5
329.10498	1.1
357.19275	1.3
375.07013	11.0
375.20261	100.0
376.07443	1.1
376.20578	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	375.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87413	0.5
57.03444	1.6
59.01390	1.4
59.13242	0.5
60.58558	0.5
71.01380	0.7
73.02946	1.1
79.95767	1.3
83.05045	1.5
83.58156	0.6
85.02942	1.5
95.05036	4.6
96.96020	100.0
97.02950	0.8
98.03725	1.0
98.20636	2.4
102.51234	0.6
109.02956	0.7
109.06619	1.2
111.04530	4.8
111.08162	1.5
113.02491	1.1
113.06088	7.0
115.04019	1.0
121.06611	2.3
122.03807	0.9
123.08158	1.6
126.57358	0.6
135.08247	0.9
137.06073	1.8
137.09709	1.3
139.07640	1.6
149.09740	3.2
155.07129	1.1
163.11314	1.0
165.09196	2.2
171.11815	2.5
187.11197	0.6
188.00795	0.7
189.12866	25.1
190.13191	2.1
207.13950	1.8
251.12904	15.4
251.15523	0.8
252.13239	1.0
295.11853	16.9
296.12265	1.4
301.00046	1.1
328.29584	0.7
375.07559	76.1
376.07828	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	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71241	1.3
55.01873	3.9
57.03457	2.2
57.30495	1.1
58.00587	4.1
59.01386	100.0
60.01713	2.8
62.01069	1.1
69.97578	3.4
71.01392	66.2
72.99314	5.8
73.02961	7.7
75.00880	2.0
82.03002	5.1
83.01377	6.5
85.02964	16.7
87.00890	3.6
87.57509	1.2
89.02456	73.5
90.02795	1.2
90.28275	1.1
95.01412	3.7
96.96030	1.8
99.00884	2.8
101.02455	46.9
113.02465	30.0
119.03516	34.5
120.99628	2.1
124.00731	7.2
131.03491	3.8
136.43536	1.2
143.03503	4.4
149.04556	2.3
161.04581	4.7
169.12308	1.7
171.24121	1.4
177.09244	3.4
179.05614	6.6
181.05067	4.8
195.10263	1.3
210.03633	1.1
213.11292	2.0
257.30688	1.4
269.10349	1.4
270.99112	1.4
283.30191	1.3
331.17630	1.4
332.13632	1.3
335.46277	1.1
348.37775	1.3
357.15674	9.3
375.16669	84.1
376.14102	4.2
376.17148	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	375.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	7.6
61.72486	0.6
63.02529	0.6
69.76865	3.1
71.01386	11.1
80.91705	0.9
83.52932	0.6
87.75874	0.6
96.96046	0.7
98.19873	0.7
127.07626	0.7
151.07680	1.2
164.08467	0.7
171.66893	0.6
173.02493	0.6
174.03416	0.7
174.99251	2.8
177.09221	3.8
190.09999	2.6
192.11566	9.0
193.12228	0.8
205.12393	5.1
207.13918	2.4
217.00291	9.2
217.08752	0.6
218.09454	2.1
220.14699	37.8
221.15469	100.0
222.15793	8.3
225.01201	0.5
235.13409	1.8
236.10547	88.3
237.10930	6.6
247.02472	1.1
258.08804	0.7
264.08450	0.8
275.16605	1.0
292.11365	0.9
293.17615	43.2
294.17944	5.0
300.99835	0.9
318.09634	4.3
319.10037	0.9
321.15540	1.3
335.13498	1.1
345.01642	4.0
360.03830	1.7
374.92831	0.7
375.06113	1.8
375.17633	9.1
376.18213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
69.84102	2.9
74.99088	2.8
78.21751	0.6
93.00113	0.7
98.20607	0.7
136.97920	0.7
153.12489	0.7
159.08479	10.4
161.06418	2.4
209.01283	2.5
217.07108	1.1
275.06015	1.0
277.07498	2.5
289.07642	1.2
291.09125	92.0
292.09259	13.0
309.10178	0.9
357.13782	2.2
359.15369	100.0
360.11313	1.3
360.15567	18.0
375.18411	5.3
376.18701	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
70.62617	0.6
74.39659	0.6
74.99093	2.4
80.47591	0.6
91.90288	0.6
93.00103	0.7
98.82540	0.6
101.91145	0.6
134.01521	0.6
136.71252	0.6
140.56473	0.6
143.05356	1.2
159.08467	10.2
161.06387	2.8
209.01274	1.9
217.07225	1.9
275.05966	1.0
277.07568	1.9
289.07422	1.6
291.09128	89.4
292.09216	12.2
346.85577	0.8
357.13708	1.8
359.15366	100.0
360.15482	16.5
375.18527	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	374.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20886	1.4
53.07727	1.3
55.20567	1.7
59.01387	100.0
60.01715	1.7
71.56920	2.1
83.01399	1.3
142.08949	1.2
150.54558	1.3
174.99252	4.4
194.92809	1.6
217.00314	21.1
330.95712	1.4
374.24380	2.8
377.19647	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0574
Annotation	Mucic acid 6-methyl ester 2-O-gallate
Peak:m/z	Relative Intensity
52.43664	0.7
59.01390	2.0
59.28306	0.7
65.00323	0.9
69.03458	1.8
69.88512	0.7
71.01407	0.9
72.99319	0.9
78.95912	11.3
81.03482	1.2
89.02446	0.9
95.01411	1.8
96.96971	24.0
97.02983	1.6
102.65707	0.8
107.01421	4.0
109.02981	1.4
115.05288	0.7
117.07807	0.7
123.00909	5.5
124.01678	18.1
125.02462	64.2
126.02808	1.9
133.50464	0.7
137.02470	2.2
139.00414	3.2
141.01938	0.7
149.02480	1.2
149.99596	6.6
150.03227	1.8
151.00385	26.3
151.03979	0.9
152.00783	1.2
165.05534	1.8
166.99820	1.1
168.00652	38.0
169.01442	100.0
170.01794	4.7
179.03667	0.7
181.01485	0.8
194.99368	1.6
211.99646	1.5
213.07631	0.8
215.55505	0.7
300.99799	2.8
313.05704	13.9
314.06152	1.1
327.10782	0.7
331.02780	1.0
331.06726	20.9
332.07050	1.8
375.05661	69.9
376.06015	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	374.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78729	0.3
59.01387	4.5
65.01876	0.3
98.19798	0.6
122.03748	8.7
123.04065	0.4
152.03551	100.0
153.03917	3.9
239.58754	0.3
368.06403	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76302	0.5
54.44210	0.5
59.01380	1.8
62.00431	0.6
66.72414	0.5
71.01399	1.0
71.56843	0.8
74.99141	0.5
79.95786	0.8
80.05067	1.9
94.06621	3.5
97.91121	0.5
99.00900	0.5
102.77447	0.5
103.04289	0.6
104.05079	10.7
104.05769	0.7
106.06623	0.9
107.03782	7.1
108.04584	9.6
111.91428	0.5
112.35578	0.6
120.04604	1.2
122.06139	41.7
123.06454	1.6
124.07694	2.1
132.04568	79.7
133.04912	3.4
134.06137	4.0
136.01685	1.2
139.02766	1.8
144.04562	1.2
147.03302	0.6
148.04068	5.6
150.05598	2.9
151.03989	1.2
152.07185	95.2
153.07509	4.1
160.04019	1.0
166.05051	0.6
167.06201	0.6
176.03542	9.6
183.01189	0.9
188.03528	1.4
190.05153	0.8
197.02779	2.8
208.06178	5.7
239.12009	0.7
244.13881	0.5
269.13007	5.6
270.13358	1.0
273.12442	6.6
274.12881	0.8
297.12466	34.1
298.12735	3.3
301.00021	0.7
313.11945	4.9
314.12357	0.7
341.11441	100.0
342.11792	13.0
373.13193	11.2
373.17514	4.3
374.13904	1.1
395.90631	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1871
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
55.01895	1.6
57.03452	1.4
57.05926	0.9
58.00604	4.8
59.01386	100.0
60.01721	1.0
65.02225	0.9
71.01390	53.3
71.53403	1.0
72.01748	1.0
72.99313	4.1
73.02969	2.1
74.99064	1.0
83.01402	2.8
85.02968	9.0
87.00907	2.5
89.02455	63.1
90.02782	1.5
95.01409	3.2
98.19855	2.1
101.02450	38.3
113.02462	21.4
116.76409	1.1
119.03524	33.5
131.03513	1.8
143.03505	2.6
149.04550	3.5
161.04605	3.5
163.04143	1.1
164.14420	0.9
169.01385	1.2
178.82120	1.0
179.05617	3.9
190.63152	0.9
193.12337	9.5
194.12665	1.0
211.13454	4.4
313.10861	2.2
350.35992	1.0
373.13110	3.7
373.18716	41.5
374.13223	1.0
374.18927	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	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.8
57.03460	2.9
59.01384	35.3
64.86238	1.5
69.03447	1.4
71.01392	36.6
71.56319	1.8
72.38699	1.2
72.99317	23.5
73.02958	13.3
74.99079	2.2
75.00874	1.6
83.01383	4.8
85.02959	16.8
87.00904	2.0
89.02441	7.0
95.01379	3.1
97.02959	2.1
99.00868	4.1
101.02455	27.2
103.05550	3.3
105.01917	1.9
108.02160	1.6
113.02448	19.6
119.05006	7.2
119.08643	1.6
123.00921	4.1
124.01732	1.9
125.02469	22.7
130.83940	1.5
135.04495	5.3
136.01674	29.6
136.99104	1.7
137.09734	2.4
143.03543	2.9
146.08121	1.5
147.04538	30.1
148.04811	1.8
151.00389	3.4
151.04024	49.4
156.02602	1.7
159.02988	4.9
161.02434	1.8
161.04584	32.1
163.03987	4.6
167.03481	4.9
168.00630	2.7
168.06638	2.3
169.01456	33.5
171.81345	1.6
180.00597	1.4
180.51326	1.6
181.08720	43.8
182.09029	2.3
191.03517	86.3
192.03885	3.7
195.02979	2.6
209.04559	93.8
210.04916	6.1
211.02458	3.7
211.06233	1.9
221.97955	1.5
285.39288	1.6
292.97696	1.6
301.00037	3.8
313.05786	2.7
324.02200	1.5
348.82944	1.6
373.07611	12.9
373.11411	100.0
373.15134	10.8
374.07657	1.7
374.11789	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	373.1143
Annotation	Dercitamide
Peak:m/z	Relative Intensity
55.75102	0.5
59.01379	2.3
70.01763	2.4
71.01389	2.3
72.99313	21.0
73.02961	0.9
75.26142	0.6
76.24116	0.5
78.18014	0.5
91.05538	1.2
97.56976	0.6
101.02464	1.1
103.05544	2.5
119.05046	7.6
120.99603	0.7
121.02897	0.6
125.02518	0.7
135.04539	3.4
135.79858	0.6
136.99165	0.6
147.04539	29.4
148.04872	1.8
148.53128	0.6
151.43405	0.5
163.03986	5.2
167.03577	1.4
168.06667	0.8
181.08804	1.1
191.03522	80.8
192.03886	5.0
209.04575	87.3
210.04881	6.3
284.16711	0.7
351.80807	0.6
373.11411	100.0
374.07135	1.0
374.11685	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.7
59.01390	4.6
65.00340	0.4
67.01880	0.6
68.99818	0.6
69.03453	0.4
69.66188	1.7
69.66593	0.6
71.01391	4.6
72.99312	0.9
73.02964	2.0
76.95004	0.3
79.01885	1.2
81.03452	0.5
82.02944	0.4
83.01393	2.2
85.02969	3.2
86.00048	0.4
87.00877	0.5
95.01392	2.1
97.02942	0.9
99.00879	0.6
101.02459	4.5
106.00629	0.3
107.01402	3.6
110.00111	0.8
111.00893	2.7
113.02460	1.9
118.31678	0.3
120.99647	1.4
122.89698	0.5
123.00900	15.2
124.00794	0.7
124.01669	2.1
125.02461	14.3
127.00335	1.0
136.98828	2.5
139.00394	6.0
140.01155	4.5
141.01987	2.0
151.00389	12.7
152.00713	0.4
153.01929	0.8
161.04616	0.3
163.04018	0.4
168.00661	4.6
169.01442	16.0
170.01762	0.8
192.07912	0.8
209.76077	0.4
221.10422	0.5
251.09326	0.9
300.99844	0.5
313.05688	1.0
373.11411	100.0
374.11810	12.5
382.29587	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05047	0.3
55.01876	0.7
57.03448	0.5
59.01392	4.1
65.00320	0.4
67.01886	1.0
71.01381	5.0
71.14861	0.6
71.15215	0.4
72.99291	0.7
73.02949	1.5
74.47517	0.3
79.01893	1.0
83.01407	2.1
85.02953	3.3
86.00088	0.5
87.00880	0.4
89.02463	0.6
95.01398	2.4
96.84245	0.3
97.02940	0.7
99.00867	1.1
101.02462	4.8
107.01418	3.5
110.00112	0.4
111.00906	3.5
113.02489	2.1
121.52030	0.3
122.21450	0.3
122.59594	0.3
123.00894	15.1
124.01701	2.3
124.12652	0.3
125.02462	13.7
126.02817	0.6
127.00370	1.0
136.98816	1.7
137.02512	0.3
139.00404	6.0
140.01184	4.8
141.01930	1.3
151.00388	11.9
153.01920	0.8
161.04520	0.4
165.01904	0.4
167.03525	1.7
168.00656	4.8
169.01445	16.1
170.01712	0.5
181.05054	0.4
193.01366	0.7
193.05034	0.4
211.02554	0.7
221.10251	0.4
300.99924	0.6
313.05582	0.7
373.11414	100.0
374.11801	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	373.1141
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.4
56.71916	0.3
57.03456	0.5
59.01390	4.0
65.79648	0.4
67.01884	1.2
69.03414	0.5
70.01342	1.5
71.01390	4.6
72.99316	0.6
73.02967	1.6
79.01899	1.0
80.67912	0.3
82.00624	0.4
83.01396	2.0
85.02966	3.3
86.00113	0.5
87.00879	0.3
89.02473	0.5
92.09018	0.3
95.01387	1.9
95.63561	0.3
97.02935	0.6
101.02454	3.9
107.01395	3.7
110.00117	0.5
111.00893	2.5
113.02448	1.5
123.00904	13.7
124.01695	2.8
125.02460	13.6
126.02844	0.4
127.00375	1.3
136.98817	2.0
139.00388	6.0
140.01176	4.3
141.01932	2.1
151.00385	12.2
151.03937	0.3
151.57025	0.3
153.01979	0.9
154.99867	0.4
157.85527	0.4
161.04596	0.5
163.04042	0.5
168.00636	5.0
169.01453	15.6
170.01768	0.6
181.04997	0.4
211.02559	0.8
225.59557	0.4
234.46638	0.3
241.37540	0.4
298.90625	0.3
313.05823	0.9
373.11401	100.0
374.11755	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	2.6
71.01382	1.8
71.32916	1.3
76.48731	0.6
78.83968	0.6
78.95914	2.7
94.06674	0.7
104.05080	26.8
105.05395	1.0
119.04994	0.7
120.04572	2.7
122.06151	1.7
125.02462	0.8
129.41000	0.7
132.04546	0.8
134.04713	1.4
134.06134	1.2
137.02446	1.0
147.03305	0.7
147.04620	1.1
148.04059	55.4
149.04401	2.6
150.05583	1.6
160.04048	2.5
162.05623	1.1
166.05112	100.0
167.03470	1.2
167.05420	5.5
168.31604	0.7
176.03554	1.1
178.78448	0.6
180.06657	0.9
185.69096	0.6
188.03477	0.9
191.03555	3.6
192.03914	1.0
206.04581	10.8
209.04503	3.5
210.04083	82.5
211.02483	1.6
211.04474	4.6
224.05666	22.1
225.06082	1.3
234.04747	0.8
252.05156	30.1
253.05533	2.7
253.41772	0.7
282.06204	1.6
283.06555	0.8
296.16617	0.7
300.99915	3.8
312.07373	2.0
372.09384	2.3
373.07593	2.0
373.11493	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	373.0566
Annotation	Melinervin
Peak:m/z	Relative Intensity
53.58092	0.5
59.01354	0.6
62.32405	0.4
82.63259	0.5
91.45935	0.4
96.96018	0.6
98.20653	1.7
148.01616	0.9
160.01604	1.2
188.01134	1.4
200.01151	1.2
216.00653	2.3
228.00571	1.1
228.97777	1.8
240.97845	0.7
242.99286	1.2
244.00136	17.0
245.00424	1.3
256.00311	0.7
256.97272	2.3
270.98914	2.4
271.99557	1.7
284.96765	12.7
298.98328	2.3
299.99124	27.6
300.99487	2.4
312.96304	5.8
315.01535	4.1
327.98611	20.8
328.99054	1.6
336.16461	0.6
343.00958	100.0
344.01285	9.8
357.02603	0.8
358.03308	44.6
359.03601	4.7
373.05670	36.6
374.06046	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	371.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	8.2
56.99812	0.2
57.03455	8.0
58.00602	3.1
59.01385	69.0
59.98529	0.3
60.01713	0.9
65.60345	0.2
67.01894	0.4
67.63644	0.2
68.99823	0.7
69.03478	1.1
69.61681	0.4
69.62089	0.8
71.01389	100.0
72.01729	1.4
72.99318	3.7
73.02954	33.6
74.03296	0.7
75.00902	1.3
81.03464	0.6
83.01396	16.3
84.01731	0.3
84.02173	0.8
85.02959	47.2
86.00100	1.0
86.03296	1.0
87.00886	4.8
89.02454	28.0
90.02793	0.7
95.01396	6.9
96.01727	0.3
97.02960	2.4
99.00889	12.8
99.96515	0.2
100.01186	0.2
100.95078	0.2
101.02454	85.7
102.02786	1.9
103.04031	0.2
108.05240	0.2
111.00898	1.6
113.02460	43.2
114.02795	1.6
115.04005	0.4
119.03514	10.2
123.08195	0.5
125.02460	2.0
126.02740	0.2
129.01956	1.7
131.03513	1.4
137.09750	1.2
139.00354	0.2
139.11333	0.2
141.01996	0.2
143.03514	5.5
149.04575	0.7
149.09717	0.6
159.03006	10.6
160.03293	0.4
161.04570	50.7
162.04906	1.7
165.12816	0.5
179.05591	1.3
205.03519	0.8
209.15488	10.0
210.15851	0.6
233.15559	0.2
242.77277	0.2
279.16052	0.5
371.20749	41.6
372.21115	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	371.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90129	3.2
54.70291	3.8
55.01885	9.1
55.83867	3.6
57.01436	3.6
57.03452	10.4
59.01390	73.0
71.01391	100.0
71.57283	5.1
72.99307	6.7
73.02966	26.0
83.01392	23.9
85.02973	49.8
87.00877	5.5
89.02455	40.4
95.01343	4.7
99.00899	12.9
101.02454	89.0
102.02840	4.6
107.07346	3.5
113.02468	46.8
119.03510	12.7
121.03012	6.8
122.06107	4.2
125.02444	7.1
143.03401	4.6
156.31856	3.8
159.03030	9.0
161.04579	42.9
197.02788	13.0
206.04329	4.2
209.11714	5.0
209.15451	7.7
230.02519	4.4
234.72475	4.2
283.99365	4.8
371.00449	8.3
371.15295	39.1
371.20676	40.1
372.20959	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	371.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58273	0.9
55.01882	6.2
57.03448	6.5
58.00595	2.5
59.01386	59.8
68.12758	1.0
69.03454	1.2
69.46335	5.1
71.01389	100.0
72.01724	1.7
72.99305	3.7
73.02954	31.5
75.00877	1.4
83.01393	14.9
85.02958	41.5
87.00874	4.7
89.02454	30.5
89.03008	1.6
95.01408	6.2
97.02952	1.9
99.00893	12.7
101.02454	73.1
102.02794	2.7
111.00874	1.2
113.02461	36.5
114.02768	1.4
114.62301	0.9
119.03528	10.2
123.08188	1.2
125.02446	2.3
129.01939	1.6
131.03517	1.7
143.03497	3.9
147.90866	0.9
159.03006	10.5
161.04565	45.3
162.04926	1.2
197.02831	1.2
200.52281	0.9
209.15480	9.1
210.15785	1.0
253.03822	1.1
341.10022	1.1
371.15536	4.4
371.20703	39.8
372.20935	4.3
391.54132	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1503
Annotation	Denudanolide C
Peak:m/z	Relative Intensity
59.01381	7.2
68.95492	1.1
71.01385	3.2
74.67305	1.0
83.01395	12.4
85.02969	2.5
85.57736	1.2
86.38092	1.1
93.03461	8.0
101.02435	3.3
107.05018	4.3
113.02466	1.1
119.05012	2.3
121.02963	3.7
121.06622	3.3
123.04536	6.5
137.06198	1.3
147.04515	1.3
149.02463	3.2
149.06108	3.3
151.04018	25.4
163.04066	1.2
163.07643	4.2
164.04819	1.7
165.05580	12.0
174.30217	1.2
175.03993	1.7
177.01942	8.0
189.05618	3.1
191.03522	3.2
193.05070	78.1
194.05426	4.4
205.05110	1.7
205.08784	1.2
207.06648	23.6
208.06953	1.5
221.12000	1.2
223.09868	1.8
247.09738	5.6
265.10831	36.7
266.11194	1.6
299.09256	32.1
300.09714	3.8
313.10800	3.3
319.08371	1.2
370.42294	1.2
371.15033	100.0
372.15378	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	371.0987
Annotation	Deacetyl asperuloside
Peak:m/z	Relative Intensity
52.39425	0.4
59.01380	0.6
68.72379	0.3
72.99317	12.2
90.52998	0.4
91.05527	0.6
103.05547	2.4
115.05518	0.3
119.05049	3.5
122.25646	0.4
133.06573	0.5
135.04559	2.2
147.04541	16.2
148.04868	0.9
159.04561	0.6
161.06070	0.8
163.04066	2.3
191.03522	43.1
192.03896	3.2
209.04567	100.0
210.04913	6.5
233.04565	2.0
251.05646	2.2
278.46164	0.4
300.99976	1.4
308.42883	0.4
311.07758	0.7
371.09851	5.7
372.10141	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.6
55.22427	0.4
59.01375	2.5
63.26154	0.4
64.02409	0.4
65.00325	0.6
69.37830	3.9
71.01388	2.2
73.02962	0.8
83.01408	0.8
85.02959	0.8
89.02451	0.9
89.93556	0.4
90.40337	0.4
94.06628	7.7
95.06992	0.6
101.02464	2.0
103.04333	0.6
104.05049	0.6
106.06628	1.2
107.03787	8.1
113.02479	0.9
120.04578	1.1
121.05341	0.7
122.06136	41.5
123.06469	1.3
124.07697	3.7
130.03011	2.7
132.61803	0.5
134.06142	2.2
135.64072	0.5
137.02443	0.8
139.02774	2.7
147.03278	0.8
152.07188	62.4
153.07530	2.8
154.27644	0.4
160.04050	2.0
161.04588	1.1
162.05624	51.4
163.05968	3.0
176.07314	0.5
186.02025	2.5
197.02814	0.7
206.04597	18.3
207.04965	1.1
217.94897	0.4
218.04588	4.8
219.05209	0.6
251.04646	0.5
269.13019	1.3
274.53018	0.5
283.10172	1.7
299.14099	3.4
299.99158	0.6
313.12036	1.3
327.13538	4.2
341.11484	0.7
343.13043	8.9
344.13226	1.2
371.12473	100.0
371.24557	2.0
372.12778	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	371.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77491	3.1
56.98034	4.5
58.99606	4.6
59.01387	16.5
70.59547	6.7
70.59879	4.8
71.01381	9.8
72.99315	6.4
73.01192	8.4
74.99100	8.6
75.00897	6.9
78.95902	8.8
81.53094	3.0
87.00883	19.6
89.02464	6.7
93.03477	10.5
93.47268	3.3
95.01385	3.9
96.96981	4.0
97.02982	3.2
99.00900	3.5
101.02476	7.9
105.03524	5.4
107.05013	3.8
109.02963	8.3
119.03500	3.3
119.05045	6.0
121.03245	10.1
121.06616	7.8
123.00854	5.9
123.04546	17.8
123.23051	3.3
124.01677	9.5
124.15401	3.2
125.02457	12.8
128.03503	4.1
131.05061	6.6
133.06627	4.2
134.04752	3.6
136.99191	4.8
137.02440	26.5
137.06090	5.9
147.04585	19.0
149.02434	4.0
149.06134	23.7
150.03288	3.9
151.04015	33.4
155.03497	5.1
158.42227	3.3
159.04504	14.1
161.04526	3.9
162.03226	7.9
163.03961	7.1
164.01215	6.3
165.01973	9.5
165.05609	8.2
175.04002	63.5
177.01967	9.6
177.05592	48.7
178.02753	38.1
178.05827	3.8
179.03448	11.8
191.03654	23.7
192.03036	10.3
193.01398	9.3
193.05026	23.3
195.02983	12.2
195.06522	6.1
196.91896	3.1
203.01884	5.0
203.03555	64.9
206.02158	8.6
209.00951	6.3
218.03416	3.6
219.03000	9.2
221.04568	76.8
222.04848	5.5
222.77547	3.2
223.02460	6.3
225.61070	3.9
237.00319	3.9
237.04012	23.1
247.02492	100.0
248.02835	8.5
251.06754	21.1
265.03540	36.0
266.03873	6.2
281.03125	18.8
309.02686	6.3
335.00647	7.3
353.01501	47.1
371.02640	27.6
371.10480	26.4
379.03506	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	369.3013
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
51.55484	0.7
57.03441	1.3
59.01379	1.1
61.98829	0.9
70.07026	1.4
70.07412	1.4
73.59494	0.7
83.53004	0.6
98.20078	0.9
120.25226	0.7
135.00815	0.7
242.26855	0.7
305.28540	1.4
307.30093	66.0
308.30499	9.5
325.31079	1.0
346.08270	0.7
351.29095	18.2
352.29272	2.2
359.05237	0.7
369.30121	100.0
370.30432	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	371.026
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.6
60.92524	1.3
70.41016	4.3
72.99293	1.7
78.95889	1.9
79.05544	2.2
85.02931	1.5
87.00893	12.9
93.03506	1.7
95.01398	1.3
95.05011	3.2
105.03461	4.0
107.05036	3.6
108.02180	2.2
109.02943	2.1
119.05043	5.5
121.02953	2.0
121.06570	4.1
123.00878	2.9
123.04538	20.8
124.01661	4.8
131.05022	3.6
133.02969	2.4
133.32767	1.3
134.03751	1.6
135.04570	2.3
137.02463	14.1
137.06090	2.5
138.03241	2.4
140.29045	1.5
147.04523	10.1
149.02414	2.1
149.06105	15.5
150.03212	5.1
151.02895	2.2
151.04025	33.4
152.04295	2.0
158.03726	2.8
159.04565	11.4
160.04846	1.5
161.02444	2.5
162.03244	6.2
164.01158	7.7
165.05605	7.4
166.02686	1.6
167.03386	3.1
175.04019	52.1
175.05540	3.0
175.54892	1.3
176.04280	1.8
177.02010	6.6
177.05580	39.0
178.02730	42.5
178.05864	1.6
179.03447	11.8
191.03531	6.4
192.00598	4.8
193.01422	5.6
193.05077	22.3
194.05453	1.5
195.02974	9.3
195.06593	1.9
203.03519	57.2
204.03879	4.3
205.01431	2.5
206.02190	6.8
209.01082	1.9
219.02998	4.0
221.04567	46.6
222.01709	2.2
222.04916	4.1
222.92076	1.3
223.02473	5.7
237.04039	22.6
238.04317	1.8
239.02017	2.5
247.02484	100.0
248.02765	8.5
265.03549	31.8
266.03931	2.3
266.70837	1.4
281.03061	18.9
291.01596	3.3
303.62219	1.6
309.02585	3.0
311.00339	4.1
335.00302	5.0
346.51218	1.4
353.01544	35.7
354.01703	4.0
371.02582	24.1
371.11966	2.8
372.02780	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	368.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14889	0.6
55.01864	1.2
56.41200	0.7
57.80130	0.7
58.00586	1.4
59.01385	44.3
60.01719	1.0
61.98832	3.0
65.73748	0.8
66.96564	0.6
67.83414	0.7
69.82947	2.0
69.83363	1.9
71.01387	23.6
72.26173	0.7
72.99324	1.6
83.01400	1.3
85.02940	4.9
87.00896	1.3
89.02457	34.5
95.01398	2.0
98.19241	0.7
99.74834	0.7
101.02451	15.0
113.02464	8.9
116.05070	2.9
119.02671	1.0
119.03510	14.1
119.04926	0.9
131.03510	1.4
135.26109	0.7
143.03506	2.5
144.04568	100.0
145.03085	1.0
145.04948	5.9
146.02644	0.9
146.06148	1.4
147.06517	0.8
149.04489	0.8
160.04074	4.2
161.04576	5.0
162.04536	1.2
163.03949	0.8
179.05653	2.8
188.03549	3.1
205.05104	1.4
208.60822	0.7
229.01472	0.8
275.01926	1.2
293.30280	0.7
300.99966	2.3
309.12073	1.3
368.09839	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	368.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01720	16.9
61.01810	6.6
61.98836	11.4
65.10612	0.7
69.20270	0.7
69.95232	2.7
71.01395	3.0
73.02972	1.3
82.99663	0.8
85.02975	1.8
89.02500	0.9
101.02459	3.4
102.02804	1.5
106.45956	0.7
113.02485	1.4
114.02843	1.0
161.04616	1.7
162.04977	1.0
294.72113	0.7
307.18094	0.7
308.17966	4.8
309.18173	0.8
355.38599	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72454	1.8
59.01387	100.0
61.98835	3.9
71.01382	6.6
71.56551	2.8
80.41502	1.6
85.02965	5.8
85.51733	1.5
89.02461	4.8
96.96021	1.8
101.02451	4.6
105.03477	2.8
110.59780	1.5
113.02454	9.5
119.03478	2.8
120.97622	1.6
122.06120	4.0
125.02430	1.7
125.29635	1.6
130.08757	42.5
131.05124	2.0
132.04550	2.9
133.03008	2.8
137.02460	1.9
138.70132	1.5
145.94861	1.5
147.04538	88.0
148.04814	4.0
148.66768	1.7
149.70262	1.7
152.07141	4.5
161.02513	8.0
161.06076	4.1
179.10794	2.4
189.01945	3.8
189.05565	2.2
191.03418	2.2
205.42883	1.8
205.93781	1.8
208.09779	6.7
245.00871	2.7
261.00366	20.4
281.08505	4.8
308.18726	2.3
326.19513	4.1
369.15063	4.3
370.18793	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	367.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46861	0.7
55.01902	4.6
57.03429	3.5
57.03685	0.9
59.01386	35.5
60.01670	0.8
66.82139	0.7
71.01389	43.7
71.03742	1.1
71.05009	1.4
72.99304	2.7
73.02560	1.6
73.02956	25.8
74.99105	0.8
75.00872	1.4
76.98645	0.7
78.00385	0.7
83.01389	10.5
85.02959	25.5
86.00119	1.0
87.00882	4.0
87.01341	0.7
89.02454	10.2
95.01385	3.2
97.02945	2.5
99.00888	11.5
101.02454	52.1
102.02849	0.9
111.00887	1.4
113.01717	1.4
113.02463	19.5
115.04021	1.1
117.03500	1.7
123.00819	1.2
125.02486	4.1
129.02020	0.8
131.03482	2.5
143.03517	2.2
145.02974	3.2
147.04527	0.8
149.04507	1.3
159.02936	3.8
161.02498	1.2
161.04576	17.0
163.04045	1.1
164.27888	1.0
173.02444	2.7
175.03986	1.7
189.01910	1.7
201.01941	2.2
203.03516	1.3
205.03563	1.4
216.00812	0.8
217.01457	0.8
229.01468	3.3
233.06619	1.9
235.11884	100.0
236.12202	4.9
244.00089	0.8
249.04097	1.0
257.01013	1.2
275.01984	3.6
283.99634	1.2
299.98862	0.7
300.99933	16.9
310.10901	0.9
314.22583	0.8
314.34561	0.8
367.16129	70.6
368.02921	1.0
368.16589	6.2
379.06403	1.0
379.94135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01727	0.8
69.45496	1.2
69.45910	3.6
71.01393	6.2
73.02963	1.8
83.01385	0.9
85.02971	2.7
89.02456	1.6
90.33670	0.5
98.19957	0.7
99.00941	0.7
101.02456	5.5
113.01785	0.7
113.02496	2.4
119.03568	1.1
141.09264	1.2
143.70432	0.6
151.74092	0.6
159.03008	0.8
161.04553	5.3
161.05733	0.6
169.30229	0.6
203.09328	1.4
203.12872	0.8
248.54146	0.6
305.16086	8.8
306.16382	0.8
347.16949	0.7
365.10703	0.7
365.18411	1.2
380.93863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
59.01385	100.0
60.01720	1.4
69.98477	2.0
71.01391	8.8
72.38229	0.5
73.02946	3.0
73.98452	0.6
75.00922	0.6
83.01388	1.3
85.02972	4.7
89.02460	1.1
95.01397	0.6
99.00900	1.1
101.02445	7.4
113.02460	3.9
135.48785	0.5
143.03551	0.9
144.46899	0.5
159.03055	1.6
161.04567	13.7
162.05035	1.1
199.04742	0.6
269.29077	0.5
305.16052	10.7
305.19263	0.8
306.16437	1.2
332.21088	0.5
365.18073	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	366.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06729	0.2
59.01376	1.3
60.01710	0.2
69.96281	0.5
69.96676	0.5
71.59408	0.2
75.87081	0.2
101.02443	0.2
116.05085	3.3
159.03319	0.5
160.04051	100.0
161.04393	5.5
190.59904	0.2
204.03029	5.0
205.03343	0.3
245.84554	0.2
366.08310	18.2
367.08676	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42929	1.8
51.64669	1.6
58.81121	1.6
59.01385	100.0
69.54494	12.1
71.01375	9.8
73.02942	3.1
74.14619	1.7
80.92680	1.5
82.02987	1.9
82.42204	1.8
85.02955	4.8
88.55539	1.7
89.02425	4.5
101.02463	8.8
109.84959	1.7
113.02430	4.5
123.00922	2.0
139.11281	2.4
145.07736	58.1
160.04045	4.6
161.04556	5.6
165.46304	1.8
169.01376	2.1
174.71829	1.9
188.08322	51.1
189.08681	3.3
201.11299	4.1
214.09872	19.7
215.10211	1.7
230.99452	2.0
235.48116	1.9
256.10956	16.7
268.10583	2.6
285.03931	4.5
304.13110	3.5
305.16208	4.6
308.70721	2.0
322.14108	35.0
323.14392	5.5
363.48627	1.7
364.43768	2.0
364.99573	4.9
366.07889	3.5
366.14676	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
60.01715	1.1
63.48894	0.8
69.28479	3.6
69.28905	3.2
70.75174	0.8
71.01378	4.0
78.95921	4.3
85.02978	1.8
89.02461	1.4
95.08779	0.9
96.95975	0.9
98.19927	1.4
101.02467	1.8
113.02460	2.4
116.71478	0.7
121.02924	1.1
143.10799	71.4
144.11128	4.2
152.99612	5.0
161.04575	1.5
167.10802	2.3
227.75746	0.7
230.99182	1.1
299.14761	0.8
302.97791	1.2
305.16043	2.8
351.54611	1.0
364.94824	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	363.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	12.0
57.03454	8.4
58.00591	2.2
59.01386	55.3
69.03463	1.3
69.23772	5.0
69.24194	1.3
69.72974	0.5
71.01389	93.1
72.01735	2.0
72.99322	3.2
73.02954	40.5
74.03253	0.8
75.00872	2.2
75.02751	0.6
82.69077	0.6
83.00911	1.4
83.01397	21.2
84.02186	1.4
85.02959	53.3
86.00119	2.9
86.03286	1.8
87.00870	4.9
89.02454	11.2
95.01385	7.1
97.02966	3.2
99.00890	17.4
101.02453	100.0
102.02792	2.2
103.04057	0.7
111.00898	5.2
113.02463	46.5
114.02809	1.4
119.03523	2.8
125.02443	3.5
129.01932	2.8
130.93105	0.8
131.03439	1.0
141.01953	1.1
143.03529	5.9
145.95581	0.6
148.96400	0.6
159.03014	11.4
161.04572	40.2
162.04895	0.9
199.17108	2.0
201.18637	2.6
241.15990	0.9
301.18115	1.3
337.53384	0.6
363.18378	2.6
363.23886	36.7
364.24319	4.3
368.96274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	11.1
57.03461	7.3
58.00343	0.5
58.00595	3.2
59.01386	49.5
68.73238	0.5
68.99841	1.4
69.03470	1.2
69.89319	0.6
70.87209	1.2
70.87580	1.2
71.01390	90.4
72.01737	2.2
72.99310	3.0
73.02955	36.8
74.03291	0.7
75.00874	2.3
83.01400	22.1
84.01703	0.6
84.02165	1.0
85.02960	50.2
86.00105	2.9
86.03313	1.6
87.00899	5.0
89.02453	8.4
95.01402	5.9
95.71462	0.6
97.02972	2.5
99.00893	14.9
101.02454	100.0
102.02793	1.9
111.00893	6.2
113.02462	38.1
113.09794	0.8
114.02792	1.0
119.03493	1.8
125.02460	2.8
129.01958	3.6
131.03465	0.8
141.01913	1.2
143.03500	4.0
159.03018	13.2
160.03409	0.9
161.04564	31.6
162.04913	1.3
168.33722	0.5
173.98824	0.6
199.17032	1.6
201.18571	1.5
213.18785	0.7
271.19061	0.9
363.23917	38.9
364.24197	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	363.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	11.9
57.03455	8.2
58.00600	2.1
59.01386	55.2
60.01723	0.8
68.99825	1.2
69.03459	1.4
69.54866	3.3
69.55280	1.5
71.01391	92.7
72.01724	2.0
72.99321	3.9
73.02956	40.7
75.00890	2.1
76.01564	0.5
83.01395	21.9
83.01897	1.3
85.02962	53.6
86.00108	3.9
86.03272	1.3
87.00887	4.8
89.02457	8.0
95.01405	6.5
97.02969	3.1
98.20692	1.0
99.00893	17.5
101.02457	100.0
102.02779	1.8
111.00899	8.6
113.02466	39.5
114.02773	1.8
119.03534	1.6
125.02454	3.7
129.01970	3.1
133.45020	0.7
141.01952	1.1
143.03540	4.9
159.03012	11.3
161.04582	40.5
162.04961	1.3
199.17105	2.3
201.18637	1.8
249.80190	0.6
254.95535	0.6
271.19144	0.9
285.70181	0.7
308.27356	0.7
363.23917	59.5
364.24225	7.9
382.39639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.088
Annotation	Psoralenoside
Peak:m/z	Relative Intensity
56.02806	0.6
59.01384	27.3
60.21423	0.6
69.66487	3.6
69.68229	0.6
71.01370	0.9
75.00835	0.7
76.60853	0.6
85.02970	1.0
101.02435	1.7
104.27472	0.7
108.02171	1.6
137.11032	0.6
157.02969	1.1
158.03737	16.0
159.04533	5.4
171.04500	1.9
188.95410	0.6
201.05566	2.6
202.02728	100.0
203.03174	8.9
213.05536	2.6
227.03629	0.9
245.04514	0.8
275.05557	1.9
305.16074	1.9
344.14462	0.6
365.08792	45.4
366.09204	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	363.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	11.4
57.03454	6.9
58.00597	2.0
59.01384	51.3
69.03455	0.8
69.88687	3.4
71.01388	100.0
72.01723	2.0
72.99306	2.3
73.02952	40.1
74.03278	0.8
75.00875	2.2
77.48404	0.7
77.84631	0.6
83.01398	20.0
85.02957	54.7
86.00092	3.1
86.03296	1.0
87.00890	5.4
89.02441	10.0
93.63473	0.5
95.01394	8.5
97.02964	3.4
99.00895	17.7
101.02453	92.8
102.02779	2.5
111.00866	4.4
113.02460	42.9
114.02769	2.0
115.04115	0.6
119.03506	2.0
125.02444	2.6
129.01953	3.0
138.29300	0.8
139.86082	0.6
141.01918	1.7
143.03488	4.1
159.03008	12.9
161.04567	39.8
162.04910	1.8
199.17065	2.5
201.18633	1.5
205.03545	1.4
266.13889	0.6
271.19147	0.9
293.05054	0.7
334.08722	0.7
363.23898	49.7
364.24164	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91946	0.5
55.01880	1.5
55.33056	0.5
57.03447	1.2
58.00578	0.9
58.12147	0.4
59.01385	15.8
62.13836	0.5
66.15562	0.5
66.97029	0.5
69.03453	0.5
69.27203	2.8
69.27633	1.8
71.01385	11.2
72.99316	13.2
73.02948	4.2
74.99084	0.8
76.27769	0.4
83.01377	3.1
85.02954	5.1
87.00894	1.0
89.02450	5.9
95.01381	1.1
95.10483	0.5
96.43343	0.5
98.19804	0.8
99.00892	1.5
100.58776	0.5
101.02451	11.5
106.65661	0.5
107.01453	0.5
113.02455	4.5
119.03513	2.2
120.99671	0.9
125.02444	0.8
139.11292	0.7
143.44684	0.5
155.10789	0.7
161.02423	0.5
161.04610	0.6
169.01422	0.8
183.10214	3.8
189.01955	0.6
201.11351	3.2
201.45868	0.5
247.02507	0.7
276.01633	0.6
289.02594	0.5
301.00046	0.7
319.03983	0.6
331.00974	2.3
345.15613	1.7
363.16623	100.0
364.12592	0.7
364.16998	10.6
364.21405	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.2394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13649	0.6
55.01884	10.9
57.03451	9.0
58.00595	3.1
58.20843	0.6
59.01387	58.1
60.01734	0.8
60.85026	0.6
62.54438	0.7
67.35030	0.7
69.03486	0.7
69.61948	1.4
69.62358	3.3
71.01392	97.7
72.01724	1.3
72.99326	4.9
73.02957	42.2
75.00874	1.1
83.01397	20.6
85.02962	54.4
86.00104	3.2
86.03315	1.3
87.00897	5.7
89.02458	9.8
95.01396	10.0
97.02959	2.5
99.00890	17.8
101.02457	100.0
102.02802	2.6
111.00890	5.5
113.02464	44.8
114.02815	0.8
119.03526	2.3
125.02437	1.8
128.55309	0.7
129.01982	3.1
135.00049	0.9
141.01982	1.7
143.03500	4.5
159.03015	11.9
161.04585	45.2
162.04860	1.8
199.17062	2.2
201.18665	2.5
205.03560	1.0
209.77930	0.8
240.75551	0.8
363.23911	54.3
364.24155	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	363.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
58.35588	1.1
59.01385	100.0
70.68375	1.2
70.68711	2.9
71.01392	17.3
72.01707	1.4
73.02943	2.0
74.88496	1.2
74.99118	1.4
82.02983	2.4
83.01373	1.4
85.02947	3.2
87.00896	1.6
89.02453	17.7
95.01393	1.7
96.96043	3.3
101.02449	9.7
104.29521	1.3
113.02475	6.7
116.05077	1.5
117.03487	2.6
119.03535	7.2
119.05021	3.3
120.99651	1.7
123.00928	1.4
136.04005	1.3
136.99179	2.4
140.26794	1.1
143.03387	1.5
145.02966	22.1
161.04581	2.0
163.04010	4.1
164.03429	2.0
168.19769	1.2
179.05647	3.0
183.10254	3.8
201.11360	2.2
217.01303	1.9
219.02925	1.5
233.43253	1.3
245.01062	2.2
247.02466	4.4
273.00293	1.4
287.10419	6.0
301.00006	2.6
319.04623	3.9
325.09247	4.2
363.03488	3.1
363.11676	1.1
363.16534	28.2
364.17059	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	363.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46222	0.6
52.47267	0.6
57.03451	0.7
58.00594	1.0
59.01385	100.0
60.01735	1.3
61.98837	11.2
65.73718	0.6
68.63319	0.6
71.01388	12.2
72.99336	0.8
73.02962	2.3
78.95946	1.1
79.77964	0.7
85.02975	2.3
87.00883	3.1
89.02452	14.9
93.32776	0.5
95.01379	0.8
96.96021	25.1
98.95621	3.6
101.02451	6.0
103.04022	1.0
113.02457	5.5
115.04066	0.7
119.03543	5.3
120.99653	1.0
121.03011	0.6
123.08158	1.3
125.02481	1.3
131.03500	1.1
133.03024	1.2
134.04790	0.7
135.04684	0.9
140.75662	0.6
143.03532	1.2
145.02945	1.0
161.02432	0.8
161.04576	2.3
163.03998	1.0
169.01491	0.9
171.11864	1.1
172.69690	0.6
175.04051	0.7
177.49709	0.8
179.05653	2.0
183.10318	1.3
189.01932	1.0
190.02608	0.8
191.03490	1.2
195.06671	1.1
217.01472	1.7
219.03020	1.3
237.15207	1.2
245.01018	2.1
247.02536	4.2
248.02956	0.7
261.00345	1.0
273.00516	2.5
275.02011	1.2
281.14078	1.4
300.99918	4.9
302.00214	1.2
303.14661	0.7
363.03891	2.4
363.09723	9.7
363.16580	10.1
364.10019	1.0
364.16769	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62051	1.0
55.01875	1.1
56.98038	5.6
57.68993	0.9
59.01389	31.6
60.01724	1.8
60.97521	1.7
62.78857	0.8
63.96237	1.7
65.78976	0.8
69.20673	0.8
71.01387	7.0
72.99311	3.6
73.02953	2.7
73.98325	2.1
74.99107	94.8
75.99426	1.5
79.30798	0.8
83.05043	0.9
85.02947	2.3
87.00891	6.6
87.04534	2.6
89.02448	4.4
89.58560	0.9
93.03507	1.0
95.01388	1.4
96.96024	3.8
98.95607	3.7
99.02758	1.8
101.02475	4.9
109.02929	0.9
110.02000	2.6
113.02469	2.2
115.31218	1.0
117.03465	1.4
117.97305	1.0
118.98113	3.6
119.03529	2.5
119.05039	2.2
120.99693	4.2
123.00925	1.5
125.02492	1.8
127.02280	5.7
128.03044	14.9
134.32506	0.8
135.98434	1.5
136.99159	100.0
137.33868	1.0
137.99509	1.9
139.00433	1.1
140.07216	5.8
141.07562	4.0
145.03003	1.6
145.10233	1.2
147.04602	1.6
159.03027	1.2
159.04504	1.1
161.02496	2.9
161.04596	3.5
163.00400	2.3
163.04102	3.9
169.01439	1.7
173.02496	2.0
175.04002	0.9
177.01913	1.2
177.07455	2.7
181.01462	1.3
183.10339	1.0
189.01938	1.9
190.02617	1.8
191.03532	5.4
195.08528	2.4
201.02034	1.4
201.11359	2.9
203.03505	1.8
207.03137	0.9
207.84004	0.8
213.09576	2.2
216.00784	1.1
217.01453	3.5
219.03023	4.8
220.06026	0.7
228.06741	1.0
229.01411	2.6
229.03619	0.9
231.11473	0.9
233.00938	1.0
233.45625	0.9
235.02486	0.9
239.07567	2.4
245.00954	3.4
247.02495	13.4
248.02998	2.2
256.68518	0.8
257.00717	1.3
257.08600	2.4
273.00406	5.6
275.02011	4.1
285.30493	1.0
291.01556	2.3
291.04968	0.9
300.99908	16.4
301.02985	1.4
302.00256	4.3
303.14542	2.6
305.02994	1.0
354.59137	0.8
363.03824	1.7
363.11285	47.7
363.16583	7.7
364.10977	8.7
364.16226	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	Gibboside
Peak:m/z	Relative Intensity
57.42705	0.5
58.00593	0.8
59.01388	2.6
59.32806	0.5
69.32305	3.1
71.01383	1.2
72.99324	0.8
73.02959	2.6
85.02959	1.0
87.04531	2.5
88.49266	0.5
89.02460	0.5
101.02470	0.9
113.02467	2.3
119.01385	0.4
135.08145	2.0
136.19037	0.5
137.09732	11.1
138.10158	0.6
153.70744	0.4
155.10796	100.0
156.11122	5.2
161.04439	0.6
169.12411	1.1
171.28749	0.5
181.08694	1.8
199.09770	88.8
200.10123	4.8
213.11307	1.6
237.09023	0.5
241.10847	6.2
244.40770	0.5
343.12076	1.2
361.09247	2.4
361.14771	0.7
382.97314	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	18.3
65.00326	0.5
77.94205	0.5
88.25169	0.4
101.71368	0.4
101.96803	0.4
103.11764	0.4
279.23318	100.0
280.23688	10.9
300.99725	0.9
333.88321	0.4
361.15402	1.9
361.23624	19.1
362.23944	3.2
367.06268	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53528	0.9
59.01387	100.0
60.01695	1.8
69.44798	7.7
71.01389	4.6
73.02935	1.4
74.99117	4.8
80.96566	0.9
85.02943	1.7
86.89613	1.0
87.00880	1.4
89.02440	2.8
95.01366	1.2
96.07265	0.9
96.96019	12.7
98.95599	1.1
99.00853	1.2
101.02435	2.7
113.02463	1.9
117.03487	1.0
119.05050	3.2
120.99650	2.3
121.02928	1.5
123.00853	1.2
125.02471	2.0
133.03021	1.0
135.98398	1.3
136.99188	4.6
140.07201	72.2
141.07513	2.5
145.02969	1.9
147.04488	1.2
149.02487	1.2
161.02423	3.3
161.04637	1.8
162.02811	1.2
163.00436	4.4
163.04033	4.4
169.01436	1.6
173.02443	1.5
175.48242	1.0
189.01953	5.0
190.02707	2.1
191.03503	5.1
193.01410	3.2
201.01988	2.1
201.11339	2.3
203.03529	2.2
214.97406	1.1
216.00717	1.1
217.01414	3.9
219.03006	2.9
229.01587	1.8
231.02983	1.5
233.01071	1.4
235.02522	1.5
245.00885	3.5
247.02542	6.0
257.00940	2.3
261.00381	1.2
273.00363	3.3
274.01132	1.3
275.01959	6.1
291.01541	1.6
299.99094	1.4
300.99933	26.7
302.00314	2.8
302.12256	2.2
303.14536	1.5
362.02948	1.6
362.09711	6.4
363.03329	1.0
363.11465	1.1
363.16727	4.9
379.07178	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.5
57.03471	0.9
58.72742	0.8
59.01387	100.0
70.85848	1.8
70.86176	1.5
71.01385	19.4
72.99324	2.1
73.02950	5.4
74.99106	1.8
82.67010	0.9
83.01420	2.6
85.02948	8.1
87.00890	10.3
89.02435	4.6
95.01382	1.7
96.96022	16.1
97.02953	1.7
99.00873	1.6
101.02459	10.9
111.00861	2.9
113.02460	8.0
118.91560	0.9
119.03464	1.3
120.99677	1.8
121.06604	7.7
123.04516	1.2
123.08142	2.4
129.01949	1.1
136.99121	1.0
139.07619	3.5
145.02937	1.3
147.04567	1.1
149.02444	1.0
149.09671	1.4
159.02986	2.0
161.02490	1.5
161.04576	18.2
163.03984	1.5
167.10817	1.2
171.11714	2.3
173.02522	1.6
189.01962	1.2
199.09874	1.2
201.12914	1.5
211.09776	8.1
217.01538	0.9
237.14938	2.3
247.02426	1.8
281.13943	3.6
300.99939	2.8
301.12894	3.3
317.06601	3.1
361.09692	22.1
361.14923	3.1
362.09698	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	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45527	1.1
55.01884	1.3
57.03444	2.2
59.01388	100.0
60.01717	1.6
71.01389	34.3
71.56640	1.7
72.99295	1.7
73.02955	8.4
74.99117	1.7
75.00893	1.4
83.01393	2.6
85.02959	11.6
87.00897	4.9
89.02456	13.7
95.01386	3.1
95.05003	1.1
96.96024	16.3
97.03014	1.2
98.28128	1.2
99.00887	3.5
101.02460	20.5
110.03719	1.8
111.04432	1.2
113.02465	15.3
113.08903	1.1
119.03530	6.3
120.99632	1.5
123.08173	3.5
129.01953	1.2
135.98453	1.1
137.09760	1.3
139.07640	7.2
143.03508	2.7
158.56317	1.1
159.03049	3.6
161.02521	1.4
161.04575	31.7
163.04015	1.3
163.07794	1.1
171.11829	2.4
179.03362	1.2
179.05566	2.2
199.09807	1.7
207.13939	1.3
211.09761	1.9
237.15007	2.6
247.02429	1.7
263.52472	1.4
278.54657	1.1
281.13919	3.0
296.42386	1.1
300.99899	4.4
301.12985	11.2
302.13058	1.6
340.03549	1.1
361.09695	20.1
361.14859	3.8
362.09955	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	4.1
65.76399	1.2
68.99808	1.4
71.01389	3.2
72.99322	7.9
77.11458	1.5
83.11599	1.3
85.02951	1.5
89.02450	1.4
98.20653	4.3
99.00932	1.4
101.02451	1.8
108.02219	1.7
110.06117	4.7
114.26526	1.3
116.05061	1.4
118.06715	1.3
119.03804	1.6
120.99667	4.8
121.05353	3.2
122.06147	17.8
123.00886	1.7
123.07980	1.4
125.25537	1.2
132.04550	2.9
134.03745	1.3
134.06081	1.2
135.04539	4.1
144.04604	4.7
145.05354	18.0
145.28723	1.3
146.06148	6.8
147.03217	1.8
148.03981	2.8
151.04065	1.6
155.10793	4.1
159.03230	4.8
160.04059	54.2
161.04840	26.4
162.05383	2.6
164.03514	1.6
176.03545	11.8
177.04327	12.2
188.03534	4.5
189.04337	72.5
190.05006	7.3
192.03050	3.3
193.03806	14.1
199.09760	4.9
203.05849	2.7
221.03398	14.2
221.06931	19.9
222.03654	2.0
231.11447	4.6
243.11427	7.0
253.05888	5.5
253.08350	1.5
255.11388	15.5
256.11612	1.5
267.11414	31.7
268.11734	3.5
281.08121	1.5
283.10852	3.1
285.12363	4.1
287.09183	1.5
299.10382	15.4
311.10425	49.2
312.10767	4.8
325.07388	2.3
329.11407	14.8
330.11606	2.3
331.08377	4.1
331.12958	23.8
332.13174	3.0
343.13019	100.0
344.13336	15.5
361.01993	2.5
361.09344	21.1
361.14056	23.6
361.22162	3.1
362.09778	3.4
362.14383	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	361.1145
Annotation	Procumboside
Peak:m/z	Relative Intensity
55.01873	1.6
58.00600	1.3
59.01387	24.3
66.22153	0.7
69.52139	5.0
71.01392	14.3
71.66528	0.7
83.01428	0.9
85.02970	3.2
87.00907	0.9
89.02460	18.4
91.41675	0.8
95.01404	1.2
96.96027	1.7
98.20592	1.4
101.02470	8.9
109.06672	1.0
111.08174	10.3
113.02470	7.0
119.03520	8.8
119.05025	3.4
119.07793	0.7
122.03762	21.0
123.04094	1.2
124.41780	0.7
125.02401	0.9
137.06102	100.0
138.06467	5.4
143.03485	1.0
154.02705	0.9
155.07188	2.2
161.04581	2.2
163.04050	3.8
179.05632	2.3
181.05089	16.1
182.05417	1.7
189.02046	1.1
199.06163	7.2
217.01346	1.2
300.99918	2.5
361.10443	3.4
362.36459	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0932
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
54.43943	0.5
59.01376	2.0
69.21222	0.6
69.21542	6.0
71.01389	1.0
72.99318	24.4
85.02950	0.6
89.02407	0.6
96.96034	0.7
101.02430	0.8
120.99661	7.9
161.04561	0.6
185.34698	0.6
189.04469	0.6
197.08131	0.6
199.07649	1.1
199.09753	1.0
209.37474	0.6
210.06931	4.7
211.07683	2.9
213.09184	1.4
219.08174	0.7
222.06889	1.0
223.07683	0.8
224.08446	0.9
225.09227	18.2
226.09526	2.0
235.07697	1.0
236.08559	0.6
237.09229	16.6
238.09570	1.6
241.08739	9.9
242.09047	0.8
251.07108	0.9
253.08736	16.5
254.09059	1.0
255.11179	0.8
263.07135	0.9
269.08191	6.5
270.46884	0.6
271.09726	0.8
273.03909	0.7
273.12460	1.4
274.01266	3.3
281.08231	10.6
282.08566	0.9
285.03192	0.8
286.47876	0.6
287.01962	1.8
287.09232	3.1
289.03519	0.8
297.07706	3.4
298.08084	0.8
299.09259	18.8
300.09576	2.1
301.93924	0.6
313.10797	0.9
315.08743	12.4
316.09106	1.2
317.02847	2.1
317.10498	1.8
325.07178	0.7
343.08252	5.2
361.01935	3.0
361.09323	100.0
362.09668	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	361.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68198	0.5
56.40431	0.6
57.03453	3.6
57.47998	0.6
58.58984	0.5
59.01384	2.7
64.50166	0.6
65.03995	0.6
66.78425	0.6
67.81026	0.6
69.65476	2.7
69.65889	1.1
71.05053	0.6
76.00377	0.6
77.59028	0.6
77.85907	0.5
79.95777	1.1
83.05022	4.0
87.00886	4.8
89.02443	0.6
92.78567	0.5
95.05038	1.1
96.96020	53.8
98.19958	1.3
111.04517	1.8
111.08186	1.4
117.03442	0.7
119.05046	0.8
119.08698	1.0
121.06600	1.7
123.08172	11.6
124.05271	0.7
129.07109	0.7
137.09737	1.7
139.07672	2.2
145.02965	5.2
145.10228	1.9
151.07689	1.2
153.09248	1.8
169.08794	0.7
169.10237	1.3
171.11816	12.4
172.12190	1.1
189.12854	4.1
198.99927	1.3
201.12846	4.3
207.13905	3.1
219.13879	2.0
237.14975	14.6
238.15329	1.6
256.99744	0.6
263.56400	0.6
281.13947	19.2
282.14307	2.0
325.09271	1.7
361.09647	100.0
362.09973	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	361.0936
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
57.81726	0.6
59.01374	1.7
65.16501	0.7
71.01388	1.4
71.56487	0.8
72.99316	51.7
89.03963	1.8
93.03471	1.1
101.02465	0.7
105.03465	1.4
111.00908	0.6
117.03455	5.8
117.46238	0.6
119.05033	6.6
120.99656	3.9
121.02949	1.9
122.03731	1.2
123.04527	4.5
133.02954	2.1
134.03761	8.4
135.04533	25.0
136.04852	1.4
137.02452	0.9
147.04523	3.2
149.02487	1.8
150.03223	3.1
151.04025	5.2
153.09224	1.3
155.34981	0.7
162.03265	1.2
163.04008	1.8
163.42307	0.6
172.57597	0.6
177.01955	0.9
178.02739	3.6
179.03444	4.3
181.10248	0.7
197.04405	0.7
225.09184	3.1
237.09215	9.0
238.09602	1.1
241.08891	0.6
253.08763	3.7
269.08240	4.1
281.08218	12.5
282.08823	0.7
285.08755	2.2
287.09280	0.9
297.07590	4.6
299.09302	6.9
299.99258	1.3
315.08878	3.4
317.02548	1.4
317.11191	0.8
325.07184	10.8
343.01086	1.5
343.08267	11.4
344.08603	1.1
361.01889	2.5
361.09305	100.0
362.09641	11.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
58.22193	1.9
71.03818	3.9
72.99316	23.3
93.03458	3.5
114.84250	1.9
120.99680	2.9
128.80540	2.0
134.35699	1.8
162.71201	2.3
181.06670	2.1
193.06628	6.5
207.08180	9.4
209.06239	3.0
211.07660	2.3
219.08185	19.7
219.64850	2.0
225.09267	15.5
227.07100	2.6
235.07631	10.9
237.05566	2.9
237.09239	38.4
241.08839	2.7
251.07048	2.2
253.08714	39.5
254.09172	4.7
255.10315	2.6
263.07141	7.4
269.08249	8.6
279.06549	2.4
280.52136	2.3
281.08237	28.4
282.08560	2.7
297.07669	10.7
299.09286	8.9
315.08765	72.6
316.09009	5.2
325.07184	5.2
343.08249	52.4
344.08371	5.2
361.09326	100.0
362.09576	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	361.0936
Annotation	5,7,3'-Trihydroxy-6,4',5'-trimethoxyflavanone
Peak:m/z	Relative Intensity
51.59924	0.6
59.01371	1.3
59.13925	0.5
72.24417	0.5
72.99316	20.7
80.10593	0.6
93.03484	1.4
94.04833	0.5
98.20795	1.2
107.05041	1.2
109.02998	0.7
113.02457	0.7
119.05047	1.3
120.99665	1.6
121.03010	3.1
122.03741	2.0
123.04523	0.7
125.02467	0.7
135.04562	0.9
147.04524	1.3
165.05530	2.9
179.07111	1.0
181.06604	1.9
193.06601	7.8
194.06966	0.9
195.08162	1.1
199.07773	1.3
199.09763	0.8
207.08156	10.4
208.08586	1.1
209.06084	2.1
209.09810	1.3
211.07710	3.4
212.08371	0.6
213.09259	0.8
219.08168	16.5
220.08472	2.1
223.07619	2.9
224.08360	2.0
225.09241	14.2
226.09586	1.5
227.07146	2.0
235.07635	11.6
236.08006	1.1
237.05473	1.8
237.09225	34.5
238.09497	2.7
240.07954	1.4
241.08716	2.5
251.07196	2.7
253.08728	32.3
254.09058	2.8
255.06635	2.3
255.10272	2.2
256.07364	2.2
263.07144	7.9
264.07584	0.9
269.08145	5.5
270.08640	1.0
272.07104	0.8
279.06641	2.2
281.08215	21.9
282.08508	1.9
287.09229	1.0
297.07730	7.8
298.07986	1.1
299.09293	7.7
300.06467	1.0
300.09637	1.0
300.99731	1.0
307.06125	3.1
315.08777	65.3
316.09109	8.7
317.10239	1.5
325.07202	6.5
343.08243	47.7
344.08640	4.9
361.09332	100.0
361.16647	8.5
362.09656	12.0
362.16721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.7
63.80799	0.9
65.48466	1.0
66.15131	1.3
71.01389	1.7
78.95912	49.5
85.02950	1.2
86.66322	1.0
95.01370	1.2
96.96969	100.0
99.60024	1.0
101.02455	1.5
110.78410	1.1
123.00895	6.1
125.02444	7.9
137.02426	1.4
137.06093	2.8
138.03229	3.9
161.04547	1.7
163.04022	1.5
168.00621	1.5
169.01427	18.4
181.05087	1.3
199.04146	1.2
199.05995	1.3
211.02446	2.6
271.04614	3.6
273.04120	2.1
301.09430	2.5
302.26355	1.2
361.07642	3.6
381.40619	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.094
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	5.5
64.78766	0.5
70.01618	1.5
70.02047	0.7
70.32316	0.4
87.00910	0.5
96.96018	4.6
100.75861	0.5
108.02183	6.1
118.94483	0.4
123.08170	1.0
127.15173	0.5
138.01988	100.0
139.02330	3.3
140.70241	0.5
144.42851	0.5
149.76204	0.4
151.02823	0.6
171.11809	1.2
189.12874	0.6
205.83081	0.5
207.13997	0.5
237.14983	1.5
281.14014	2.6
361.09653	11.5
361.14297	0.7
363.98984	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0698
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87783	3.3
59.01382	16.9
63.60409	3.0
67.99866	3.3
69.47213	23.3
71.01389	9.1
73.87376	3.8
75.54330	3.4
87.00914	3.8
89.02460	6.2
96.96041	18.7
99.04499	4.2
101.02482	4.4
109.03046	4.4
113.02428	5.9
117.03569	3.6
119.05038	90.7
120.05370	3.6
123.00939	4.6
136.99126	6.7
137.06091	10.4
145.02951	7.6
149.02396	6.1
149.20572	3.8
161.02443	8.6
161.08203	12.5
161.09448	3.8
163.04022	100.0
164.04396	6.9
165.01860	4.2
172.56078	4.2
177.01898	5.3
189.01961	7.0
229.23067	3.6
231.02931	4.3
245.00789	6.6
247.02609	6.9
273.00522	5.6
275.02118	4.5
281.14032	4.5
300.99850	19.4
361.09940	25.0
361.14001	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	359.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	96.8
60.69125	11.7
69.66862	43.3
69.93088	11.0
71.01391	32.3
72.97499	14.5
75.00875	16.7
85.02961	11.5
89.02431	16.0
93.03453	11.9
101.02437	20.1
113.02426	13.0
117.48466	12.3
123.00873	27.3
135.04498	12.3
135.29089	10.4
138.03271	27.9
138.05646	27.8
139.35260	16.4
148.58752	10.0
148.92616	12.2
151.03864	11.1
153.05591	31.6
160.50836	11.9
161.08217	70.8
169.01395	21.5
197.04524	67.3
209.81938	11.2
221.86115	13.6
269.04263	12.0
269.11343	12.5
304.99734	12.3
324.88083	11.8
359.06305	14.4
359.09842	100.0
359.14081	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60233	1.2
52.81312	0.9
54.51996	1.0
58.00610	2.4
59.01386	83.5
60.01725	1.6
62.81121	1.1
64.81244	1.2
71.01392	39.1
71.10725	2.5
72.99317	3.7
73.02969	2.5
79.61735	1.3
83.01393	2.7
85.02956	9.2
89.02454	30.8
93.86569	1.0
95.01387	3.0
97.02954	1.3
101.02444	20.7
110.00107	1.5
113.02470	14.2
119.03526	11.1
121.02980	9.4
123.00896	3.1
124.04922	1.1
125.02457	1.3
131.03554	1.5
137.02434	5.9
138.03230	4.1
139.00352	2.2
139.04028	2.6
141.01991	1.3
153.01921	1.9
153.05626	9.2
161.04570	2.3
165.01886	1.6
166.99802	1.9
170.30106	1.2
180.04262	2.2
181.01443	5.8
182.02267	10.0
183.03000	1.8
195.06627	3.4
196.03751	3.9
197.04573	54.9
197.08295	2.2
198.04932	3.8
211.06102	11.4
224.03281	3.9
239.05653	34.1
240.05989	3.8
269.06686	4.9
299.07813	7.4
344.07449	3.5
359.09863	100.0
360.10281	9.3
366.08795	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64288	0.3
55.01880	1.0
59.01389	5.8
65.00339	0.5
67.01884	0.9
69.03445	0.4
69.99559	0.9
69.99950	0.9
71.01393	5.4
72.97526	1.3
72.99312	1.2
73.02942	1.8
78.95910	1.7
79.01896	0.7
83.01402	2.5
85.02972	3.3
87.00864	0.6
89.02463	1.6
95.01403	2.0
96.55303	0.4
96.96027	0.7
97.02932	0.4
99.00877	0.9
99.11330	0.4
101.02447	5.4
107.01427	3.5
111.00898	3.5
113.02457	2.2
119.03510	0.8
119.05109	0.4
120.99670	1.1
123.00901	14.8
124.01663	1.3
125.02460	13.5
126.02784	0.6
127.00356	0.9
135.08150	0.7
136.98816	2.0
137.02444	0.6
139.00381	6.5
140.01164	4.1
141.01947	1.8
151.00386	11.1
151.04010	0.5
153.01949	1.2
161.04535	1.0
168.00679	4.2
169.01437	15.5
170.01735	0.6
179.07118	0.7
181.04955	0.9
182.05843	0.6
184.27556	0.4
195.06615	0.9
197.04501	0.8
197.08258	0.6
313.05789	0.7
359.09848	100.0
360.10217	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	359.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	4.0
68.19363	0.7
79.81206	0.7
85.02853	0.8
93.08797	0.6
97.17251	0.7
98.19897	1.2
109.75985	0.6
161.02338	0.8
161.99561	0.7
174.99225	1.3
185.99628	1.1
201.02350	1.4
201.99065	1.9
213.99001	1.9
217.00238	3.0
229.98534	1.2
254.98708	1.0
257.98212	0.8
270.98685	1.1
273.00552	0.8
280.44101	0.7
285.00473	1.5
285.97586	24.2
286.63974	0.8
286.97903	1.9
299.99197	2.0
300.99939	4.2
313.97076	78.9
314.97400	5.5
315.00928	1.1
315.98639	1.8
324.99878	2.1
327.98459	0.9
328.99402	100.0
329.99771	8.7
343.01053	1.6
344.01749	77.5
345.02115	8.0
359.04129	74.7
359.14267	1.4
359.28235	0.9
360.04510	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	359.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21722	0.5
52.97499	0.6
53.64344	0.5
59.01376	1.1
60.90372	0.5
75.40165	0.6
92.47126	0.6
98.20755	1.1
103.09298	0.6
129.42168	0.5
174.46434	0.6
180.33167	0.5
185.99590	2.1
201.99042	1.6
213.99088	2.3
217.00325	1.3
229.01350	1.0
229.98524	2.1
241.98492	0.9
245.00853	0.7
257.98270	0.8
270.98773	1.8
285.97592	33.7
286.00839	1.6
286.97833	2.6
298.98297	1.6
300.99911	12.0
302.00266	1.0
313.97073	74.3
314.97443	7.2
315.98636	0.7
328.99411	98.4
329.99701	9.9
332.57907	0.6
344.01749	100.0
345.02136	10.8
345.06424	0.8
359.04117	47.8
359.27936	1.0
360.04431	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	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
52.52219	0.6
59.01379	1.2
69.12817	0.6
70.06876	2.1
70.07288	1.1
71.01380	1.8
78.95863	0.7
82.23219	0.7
95.01408	2.7
101.02473	0.9
113.02434	0.7
123.00895	44.4
124.01225	1.7
137.02412	0.9
138.03244	48.7
139.03601	2.2
153.05586	19.7
154.05919	0.9
166.99869	13.1
168.00247	0.7
182.02229	41.4
183.02527	2.2
197.04567	100.0
198.04921	6.3
239.05626	1.1
296.87848	0.6
359.09863	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	358.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	3.3
69.30501	3.9
71.01400	2.1
77.88070	0.4
85.02964	1.0
90.48164	0.4
95.01357	0.5
101.02461	1.0
108.08208	100.0
109.08540	3.7
113.02475	1.6
120.08184	1.6
126.04449	0.4
130.08752	2.7
132.08217	1.6
134.06125	0.5
135.36411	0.4
136.07715	0.5
147.03262	1.7
148.07713	1.5
152.07196	70.0
153.07559	3.0
155.00032	0.4
161.02402	1.0
164.07198	0.8
166.08752	17.4
167.09062	0.9
168.24995	0.4
176.07159	1.2
179.03470	0.5
194.08240	8.9
195.08565	0.5
196.06172	53.7
197.06493	2.9
197.08015	0.4
209.51511	0.4
227.04689	1.0
230.08005	0.4
238.07207	8.9
243.07800	1.6
280.08127	0.4
297.08630	0.4
298.09268	5.8
299.09464	1.1
315.98611	1.9
344.12845	0.9
358.11487	6.8
358.22220	1.7
359.00327	1.0
359.08609	3.3
359.15329	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52092	0.4
59.01385	87.2
60.01723	1.4
61.98843	1.0
65.58955	0.4
69.25937	4.3
70.90911	0.4
72.99323	1.6
73.02950	0.5
74.64507	0.4
90.97163	0.8
90.98591	0.4
118.96689	0.5
119.78584	0.4
125.31139	0.4
132.98221	1.8
157.03537	2.3
159.01498	1.4
168.06779	0.4
174.99266	22.6
175.99615	0.8
201.02579	23.2
202.02733	3.3
215.00610	0.7
217.00325	100.0
218.00652	4.0
227.70900	0.4
238.86868	0.5
274.99692	1.0
289.37912	0.4
298.94226	0.4
317.00726	2.6
359.01587	6.4
360.01752	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.9
71.41066	0.7
92.02731	0.8
95.01402	10.0
106.04246	2.0
108.02156	1.9
109.02968	17.2
109.88863	0.7
119.13478	0.8
121.02976	18.0
122.03780	10.0
123.00896	2.0
137.02483	4.8
150.03241	100.0
151.03606	3.9
160.04008	7.0
291.92981	0.9
300.99799	4.4
303.12064	0.8
312.42496	0.8
315.98688	1.1
358.10748	4.2
359.00650	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69496	0.2
54.32384	0.2
65.99856	0.4
69.36719	1.1
69.37150	0.6
79.31815	0.2
79.95749	0.2
91.15130	0.2
111.19152	0.2
113.13538	0.2
117.55645	0.2
123.04486	0.3
137.06094	0.4
151.04001	2.3
165.05608	1.0
166.06358	3.3
180.02986	1.3
181.03824	2.0
183.01276	0.3
194.04594	0.3
195.05414	2.8
196.06171	100.0
197.02798	0.3
197.06520	6.1
198.03149	0.6
213.02792	2.7
300.47177	0.2
315.98691	0.3
358.11459	22.7
358.17773	2.8
359.00436	0.4
359.11761	2.6
359.16397	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	6.5
55.62356	0.6
57.03465	5.8
58.00599	1.3
59.01385	28.7
60.01700	0.6
62.60724	0.6
69.03471	1.3
69.29243	4.2
69.29665	1.2
71.01388	100.0
72.01726	1.2
72.99326	3.3
73.02953	26.0
74.99085	0.8
75.00879	2.0
80.83717	0.6
83.01397	11.6
83.43672	0.6
84.02182	1.0
85.02962	39.7
86.03317	0.8
87.00884	5.2
89.02454	12.0
89.45094	0.6
95.01402	7.0
97.02966	2.4
99.00890	13.1
100.97654	0.6
101.02451	55.2
102.02781	1.7
106.06627	3.7
108.02183	1.1
113.02462	35.9
114.02833	1.1
119.03482	1.4
120.99632	0.8
125.02461	3.0
129.01945	2.1
130.08740	0.6
131.03502	1.0
135.98404	0.9
137.06212	0.7
143.03528	4.1
149.04477	0.7
150.05591	2.2
159.03014	8.9
160.03380	0.7
161.04573	48.8
162.04932	0.9
163.04092	0.7
165.09218	16.1
165.10518	1.1
166.09596	0.9
177.09232	2.9
194.04628	2.5
195.06554	1.5
195.13892	1.1
205.03577	1.8
225.14925	2.9
229.01472	1.0
239.09180	0.8
252.49107	0.6
270.98990	0.7
273.00436	1.2
285.00577	0.9
298.98419	0.8
299.99149	3.8
300.99890	1.0
305.92719	0.7
328.99527	1.0
340.00903	0.9
357.02240	0.8
357.15720	5.0
357.19565	1.1
358.02090	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	357.1195
Annotation	Brasoside
Peak:m/z	Relative Intensity
56.97358	0.9
59.01115	1.1
59.01389	19.5
69.89786	4.5
71.01397	9.8
72.99310	3.8
73.02961	2.3
73.51729	0.8
83.01404	1.8
85.02951	3.4
86.02048	1.2
87.33464	1.1
89.02462	3.0
93.03493	4.5
95.01388	1.1
99.00849	2.0
99.04564	1.7
101.02438	4.3
101.13316	1.1
105.03448	1.1
108.02190	1.7
113.02451	4.0
123.04528	3.0
125.02473	1.7
135.04541	68.1
136.04889	2.8
137.02362	1.2
137.06061	2.6
143.03580	1.1
147.04514	3.7
148.71799	0.9
149.06104	2.6
150.06885	100.0
151.04044	1.9
151.07455	5.1
160.04083	0.9
161.04539	6.6
162.03278	1.3
165.05556	2.8
177.01938	2.8
178.06378	1.6
179.03468	1.3
180.04340	4.6
191.03520	10.8
193.08682	3.6
195.02921	1.3
195.06677	10.0
204.32553	1.0
209.04555	18.9
223.02443	4.2
300.99799	1.2
325.02151	2.3
357.08078	4.7
357.11914	9.5
357.15750	1.8
358.11972	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07453	5.9
59.01378	19.0
60.97528	7.4
71.01383	16.4
71.56550	8.8
72.97544	100.0
75.33453	5.0
78.95892	5.6
83.01378	7.4
87.00871	7.4
99.00900	4.9
108.02216	7.3
109.02954	7.6
109.71090	5.6
111.26017	6.9
121.02995	9.4
123.04517	22.5
125.02472	8.1
134.17073	5.3
134.97604	21.2
135.04576	31.8
137.02512	5.6
150.03137	7.9
150.06839	24.1
151.04027	79.8
165.05539	8.0
168.85608	5.8
169.01357	7.2
180.04272	22.4
187.11301	12.0
191.03502	8.5
195.02980	21.5
195.05081	6.8
195.06612	43.1
238.68956	5.2
300.10895	6.5
300.99738	6.4
357.08401	20.0
357.12796	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	357.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20381	1.9
55.01887	2.5
55.09166	2.0
56.79446	1.9
59.01381	5.1
63.63081	2.0
70.90609	5.3
71.01383	8.3
72.97534	7.1
72.99306	4.5
73.43572	2.3
78.95911	7.9
81.03467	2.8
83.01408	2.8
85.02957	4.7
87.00883	3.4
95.01402	3.8
96.96964	3.8
99.00888	55.9
101.02435	2.1
109.02954	21.1
111.00887	8.7
113.02457	4.3
113.06123	4.9
115.53193	2.2
123.00914	2.4
123.04511	2.6
124.07685	2.1
125.02462	46.2
125.07459	2.0
126.02892	2.3
135.04533	2.5
137.02449	51.5
139.00365	3.4
144.23547	2.1
147.04488	3.4
149.06099	2.4
150.06841	4.4
151.04039	8.0
152.07185	7.7
157.05083	3.3
162.03294	3.8
165.01906	5.0
165.05592	2.6
169.01453	14.0
173.02419	2.1
175.03998	6.2
177.01987	10.7
178.99866	2.4
179.03586	4.1
180.04289	4.4
181.01456	4.1
191.03522	31.3
191.05273	3.6
192.03969	2.6
193.05090	25.1
195.03030	7.9
195.05093	2.0
195.06621	13.4
205.03496	6.6
209.00845	5.4
209.04506	2.3
213.78949	2.0
219.02951	10.8
222.98779	2.5
237.04065	100.0
238.04315	4.8
272.28079	2.5
281.02985	14.4
297.64243	2.2
300.99863	4.2
307.01022	2.6
325.02185	4.1
357.08350	9.2
358.11386	4.7
368.41986	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	357.062
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
59.74006	0.3
66.76817	0.3
82.50968	0.3
90.54126	0.3
93.03491	0.3
107.39435	0.2
121.02972	100.0
122.02507	0.7
122.03304	3.8
132.04587	0.4
136.07678	0.5
165.01941	0.9
180.05830	1.5
181.05032	0.5
181.06624	5.7
182.06917	0.6
183.01270	1.2
197.02815	0.6
199.07616	0.3
225.05617	6.2
226.05946	0.6
250.69971	0.3
254.99260	0.3
264.08856	0.5
271.07364	1.3
298.98349	0.7
313.07208	7.6
314.07431	0.9
325.12054	0.3
326.97818	3.0
339.06406	0.4
342.00146	1.2
344.98911	0.3
357.06213	32.1
357.17435	3.6
357.26324	0.6
358.06479	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	357.0257
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
59.01374	1.4
69.46288	3.0
71.01366	0.6
78.33952	0.5
87.26140	0.4
121.02927	0.5
132.73167	0.4
143.01430	1.0
145.55014	0.5
155.77740	0.4
171.00879	3.7
183.01195	2.9
187.00314	0.4
197.02800	14.2
198.03230	0.7
199.00380	3.8
211.04333	0.9
214.99876	6.3
215.04062	0.5
225.99030	1.3
226.99835	4.1
230.02469	0.7
242.99329	3.0
254.99327	4.5
255.99474	0.5
258.01776	0.8
269.98160	0.8
270.98856	6.0
271.99277	0.6
283.10739	1.1
298.98358	25.9
299.98758	3.8
300.99329	0.7
312.99976	1.0
313.03510	0.6
326.97839	100.0
327.98172	9.3
340.99368	1.1
342.00189	43.1
343.00470	4.7
349.70145	0.4
357.02542	40.5
357.10281	1.3
357.17429	22.9
358.02933	4.1
358.17877	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	356.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98837	98.3
67.07566	2.8
71.01386	9.3
71.56867	2.6
72.97554	2.9
72.99290	2.5
73.02970	3.3
85.02976	3.2
96.96030	5.2
101.02446	3.5
118.98119	4.6
119.03482	3.6
120.99646	3.5
145.04039	4.0
151.04050	3.9
157.62082	2.4
162.03207	13.1
163.03964	3.0
177.05565	10.3
180.04237	7.7
195.02643	2.6
195.06627	23.6
223.13315	4.4
247.02063	4.1
257.13818	2.7
275.01843	3.0
299.99142	4.0
300.99887	12.2
302.00253	3.4
328.99362	6.4
357.08109	5.6
357.15701	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	356.1717
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15475	5.8
59.01387	11.2
61.98840	100.0
69.22444	53.5
70.62625	6.0
121.02962	20.3
183.48885	6.1
192.95834	7.7
227.44528	5.9
299.99051	9.5
326.97794	21.0
350.48029	5.8
357.02664	11.5
357.06198	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	357.0255
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
53.66991	0.2
58.38059	0.3
61.23374	0.3
92.42661	0.3
97.18923	0.4
100.73178	0.3
106.51926	0.3
117.03481	0.6
124.55364	0.2
137.42303	0.2
143.01399	0.8
149.06004	0.3
171.00916	3.0
183.00877	0.5
187.00424	0.6
199.00409	3.4
213.98924	0.5
214.99860	5.3
216.00464	0.4
225.99089	1.2
226.99864	3.8
227.29079	0.3
230.99434	0.5
241.98515	0.4
242.99413	3.4
252.97754	0.3
254.99434	3.3
255.99663	0.5
257.71283	0.4
258.01746	0.4
269.98047	1.2
270.98874	5.5
271.99115	0.5
298.98367	26.6
299.98660	2.4
306.84836	0.3
309.28836	0.3
313.00000	1.6
326.97845	100.0
327.98209	9.2
340.99313	0.7
342.00183	38.9
343.00549	3.9
357.02545	39.5
358.02835	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	355.2857
Annotation	2-Oleoylglycerol
Peak:m/z	Relative Intensity
57.03447	0.8
59.01411	0.7
74.89878	0.5
83.88811	0.6
123.97726	0.6
143.34462	0.6
144.00899	0.5
152.67931	0.7
291.27127	1.0
293.28534	62.6
294.28857	8.6
311.29556	1.8
337.27509	17.8
338.27765	2.1
355.28552	100.0
356.28891	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	356.0991
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.25135	0.4
52.69068	0.4
59.01384	2.6
69.47724	2.5
71.01396	1.2
71.02434	0.4
81.29037	0.3
81.54505	0.3
85.02972	0.7
89.02480	0.7
95.01500	0.3
98.19929	0.8
104.05090	0.4
106.06640	100.0
107.06981	4.0
108.08199	6.2
113.02429	1.8
115.86684	0.3
118.06680	0.6
120.08201	0.5
123.35782	0.4
130.06674	0.6
130.08742	2.7
131.03824	1.8
132.04553	0.4
135.04517	0.4
136.07690	0.5
146.06160	0.9
150.05624	50.9
151.05965	2.4
154.67715	0.4
164.05878	0.8
164.07198	10.0
165.07494	0.7
174.05664	0.8
175.04022	0.4
192.06693	7.3
194.04602	27.8
195.04924	1.2
236.05675	4.3
296.07883	3.5
327.12433	0.7
342.11218	0.6
356.09872	7.9
356.20743	2.5
357.13644	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1553
Annotation	2',4',5''-Trihydroxy-3',6'',6''-trimetylpyrano[2'',3'':6',5']dihydrochalcone
Peak:m/z	Relative Intensity
53.82338	1.2
64.37291	1.2
79.01942	2.0
107.05064	6.8
116.46650	1.2
121.02973	1.7
121.06641	2.1
123.04513	8.9
124.04873	1.4
143.88452	1.3
149.02411	3.2
151.04018	30.8
160.10251	1.3
163.04001	1.5
164.04846	8.5
164.70824	1.2
165.05569	3.1
173.06114	11.1
177.01945	8.7
191.03540	1.3
192.04401	1.5
255.10219	2.0
265.08768	4.4
267.17899	3.9
268.07968	1.2
283.09778	99.8
284.10135	11.2
297.11313	8.8
337.14563	4.2
355.15524	100.0
355.19138	4.3
356.15851	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	355.2284
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
54.85829	0.9
59.01402	1.5
70.11839	4.5
85.02950	1.8
96.61020	0.9
107.05037	1.7
109.02937	1.7
111.00887	1.0
122.03756	10.1
135.04546	25.6
136.01712	1.5
147.08218	2.3
147.42146	0.9
149.06073	1.0
149.09769	7.8
151.07663	1.9
154.02705	1.7
161.09753	8.4
163.07675	3.1
163.11308	47.7
164.08458	15.2
164.11632	3.1
165.09225	8.1
172.89207	1.0
176.24170	1.0
177.09236	63.4
178.09988	20.4
179.10803	72.2
180.11137	5.3
183.10321	2.5
191.10815	11.4
193.08748	8.9
199.00589	1.4
248.35577	1.0
260.27005	1.0
265.12399	1.0
279.87799	1.0
280.14783	3.2
298.15784	50.5
299.16064	5.8
307.16937	2.0
309.22238	1.4
321.18689	1.1
322.19183	1.9
337.17648	2.1
337.21759	44.0
338.22247	7.5
340.20462	85.7
341.20819	11.3
355.22833	100.0
356.23184	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01109	0.8
59.01385	11.6
71.01388	6.2
71.57302	0.8
72.99321	1.1
83.01412	0.8
85.02946	1.5
89.02454	4.6
93.03468	0.6
95.01349	0.7
96.95998	2.0
101.02453	3.1
109.02954	0.8
113.02438	2.0
119.03512	1.2
119.05000	0.6
120.86761	0.5
125.02421	0.5
130.10139	0.5
132.02180	15.0
134.03754	12.5
137.02457	0.6
138.03279	1.3
147.04495	1.3
148.05325	1.0
149.06075	4.1
151.04115	0.7
159.04514	0.6
160.01674	67.6
161.02034	3.2
161.06096	0.8
163.04030	1.0
175.04016	100.0
176.04427	6.1
178.02698	1.1
179.05734	0.6
179.07190	1.5
184.75273	0.6
189.05605	0.7
190.46465	0.5
191.03568	1.4
191.07114	5.1
193.01474	0.8
193.05064	21.0
194.05486	0.9
202.02678	1.0
203.03517	0.7
205.05089	0.8
207.06554	1.1
213.79596	0.5
217.05074	5.4
221.08244	0.5
235.06145	9.4
249.04141	0.7
265.07309	2.9
295.08258	8.1
323.99002	0.7
335.76419	0.5
337.02237	1.0
355.10297	5.5
355.13998	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13919	1.1
55.01886	1.1
59.01381	2.7
65.00331	1.1
66.91530	1.0
69.03472	1.3
69.40685	5.8
69.41096	2.7
71.01390	1.9
73.02949	2.1
79.05560	1.4
85.02966	1.5
91.05529	1.3
93.03462	2.9
98.20617	1.5
99.00872	5.3
105.03485	1.7
105.07109	2.2
107.05035	2.6
108.02174	1.2
109.02979	2.4
111.00881	7.1
113.02444	1.9
115.05579	1.8
117.03463	2.7
119.05022	4.2
121.02937	3.2
121.06593	5.4
123.04522	3.6
124.01660	3.0
125.02462	4.4
127.16897	1.0
131.05132	1.9
131.34564	1.0
133.06622	13.9
135.04549	8.7
137.02438	8.0
138.03241	40.3
139.03595	1.8
143.05098	2.0
145.02974	6.3
146.03720	3.9
149.02464	13.9
149.06102	5.7
150.03178	3.8
151.04045	15.1
151.07652	7.9
159.04541	9.8
160.05363	1.9
161.02414	1.6
161.06096	27.0
162.03230	8.9
162.06479	2.1
163.04028	38.3
163.06064	1.9
164.04834	12.7
165.01944	3.9
168.70204	0.9
169.01439	1.8
175.00435	1.5
175.03990	2.5
177.01903	1.8
177.05612	11.9
179.07156	70.7
180.07448	4.6
181.07176	1.4
187.04039	17.4
188.04436	1.7
189.02020	1.2
190.02742	9.8
191.03398	3.0
193.01440	39.9
193.03232	2.0
194.01711	1.7
203.03529	4.5
205.05077	59.1
206.05409	4.3
219.03040	1.2
221.04581	2.3
223.06126	16.1
231.02908	2.9
233.00941	2.4
237.00409	3.8
249.04062	43.9
250.04370	3.5
251.11879	1.0
267.05164	9.7
275.02014	1.5
293.03033	10.3
294.03400	1.8
311.03946	2.2
337.02042	100.0
338.02377	10.7
355.03036	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	355.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88698	2.1
59.01406	2.6
61.60646	2.3
67.01521	1.9
67.01910	1.9
69.84496	11.4
77.22320	2.0
84.01198	1.9
93.03448	2.2
99.00865	5.2
105.07107	3.4
109.02988	3.3
111.00884	4.6
119.05025	3.3
121.02944	4.4
121.06590	6.6
123.04529	2.6
124.01662	4.3
125.02480	3.0
133.06609	19.5
135.04526	7.8
137.02467	7.3
138.03247	52.7
145.02966	6.0
146.03737	3.4
149.02463	17.2
149.06149	6.2
150.03232	5.7
151.04048	13.9
151.07620	6.0
159.04498	11.8
161.06105	26.9
162.03239	7.3
163.04030	35.3
163.06062	2.3
164.04808	15.8
165.01979	4.1
177.05566	15.4
179.07153	100.0
180.07507	6.6
187.04031	12.8
190.02754	10.7
191.03534	2.6
193.01428	42.8
194.01782	2.5
201.81354	2.4
203.03421	4.5
205.05077	52.8
206.05159	2.7
221.04427	2.1
222.95416	2.7
223.06151	20.7
231.03058	2.7
233.00972	2.7
235.02376	2.4
237.00426	3.0
242.99542	1.9
249.04065	40.4
250.04349	2.4
267.05072	13.3
289.42545	2.1
293.02985	8.5
305.66431	2.2
311.04190	3.8
337.02054	76.7
338.02298	6.6
355.03076	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	355.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21735	0.6
55.52278	0.5
59.01386	8.8
70.19964	1.7
71.01385	4.7
72.99300	0.6
85.02957	1.1
89.02441	1.9
96.96022	1.0
99.30875	0.5
101.02460	1.4
112.14951	0.5
113.02470	1.1
132.02188	15.2
133.02690	0.5
134.03766	14.8
135.04045	0.6
137.02431	2.0
147.04575	0.8
149.06068	4.6
157.08690	0.8
160.01677	64.5
161.02022	3.5
175.04019	100.0
176.04390	5.8
178.02731	4.7
179.07071	0.6
188.54297	0.5
191.07162	1.8
193.01414	1.0
193.05077	24.2
194.05424	2.1
202.02803	0.6
205.05125	0.7
217.05081	4.9
217.13376	0.5
235.06111	2.4
249.04144	0.7
265.07224	0.8
295.08371	1.8
300.28491	0.6
336.17270	0.5
355.10349	5.8
355.14175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	1-O-Feruloyl-beta-D-glucopyranose
Peak:m/z	Relative Intensity
56.58225	0.6
59.01385	9.2
60.22806	0.6
63.56716	0.6
70.19890	1.2
70.20293	1.8
71.01389	4.3
72.99323	0.8
81.05270	0.6
85.02979	1.0
89.02463	4.0
96.96001	1.4
101.02453	2.0
113.02472	2.0
113.37952	0.7
113.63052	0.6
119.03536	1.5
119.18414	0.5
126.04629	0.7
132.02184	14.5
133.02518	0.6
134.03757	9.0
147.04662	0.6
148.17911	0.7
149.06102	2.1
153.11421	0.7
160.01685	69.4
161.02005	4.1
175.04027	100.0
176.04399	6.0
178.02597	0.7
191.07182	2.0
193.05084	14.2
194.05313	0.8
205.05217	0.9
207.06625	0.7
217.05132	4.5
235.06204	3.3
265.07098	0.6
295.08212	1.6
331.72342	0.5
349.95187	0.6
355.10324	4.2
355.44421	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33098	0.8
55.02892	0.7
55.23902	0.7
57.03454	0.9
59.01387	100.0
61.98828	1.0
71.01392	5.9
72.99304	1.1
73.02959	2.6
74.39843	0.8
85.02966	2.2
87.00912	1.5
89.02429	1.5
96.96009	4.3
99.00883	1.3
101.02474	5.5
103.36648	0.8
105.03479	0.9
113.02454	2.6
121.02962	1.4
125.02459	1.0
136.60303	0.7
147.04500	1.9
149.02399	0.9
149.06078	1.2
155.98618	1.2
156.90685	0.9
159.03059	1.5
159.04504	1.6
161.02388	1.0
161.04579	6.0
162.03294	1.2
175.04016	2.6
177.01996	0.9
177.05580	2.6
188.21213	0.8
190.02597	1.0
190.66745	0.8
191.03555	2.1
191.05525	1.2
192.00763	0.8
193.01520	0.9
203.03529	2.9
221.04630	4.2
247.02486	4.4
249.00301	0.9
265.03497	1.3
275.02103	1.2
293.16147	10.3
294.16690	0.9
300.99991	1.2
324.11533	1.0
353.08801	2.0
353.12738	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.031
Annotation	Unknow
Peak:m/z	Relative Intensity
63.38752	0.7
67.36642	0.6
98.20768	1.3
109.02972	1.7
111.00910	0.9
124.01682	2.6
125.02452	2.9
137.02428	3.5
138.03249	56.0
139.03564	2.6
149.02446	2.3
150.03241	3.9
151.04041	1.1
151.07666	4.1
153.01973	1.8
161.06064	1.3
163.04019	1.6
164.04823	5.4
169.01447	0.7
177.05591	0.7
179.07161	100.0
180.07521	5.9
193.01537	1.5
194.56532	0.7
205.05081	5.6
223.06142	26.4
223.08356	1.4
224.06438	1.3
224.84230	0.7
249.04018	3.0
263.87537	0.7
267.05151	16.2
268.05429	1.5
287.54956	0.7
293.03043	1.8
311.04166	1.4
337.01892	1.4
355.03070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72003	0.9
59.01385	100.0
71.01390	11.7
71.04596	1.8
73.02969	2.8
83.01381	1.3
85.02980	5.1
86.53172	0.8
88.20290	0.8
89.02448	1.6
95.01402	1.2
99.00924	0.9
101.02446	6.6
108.04468	0.9
113.02483	5.5
127.07651	2.9
147.43468	0.9
159.03038	1.3
161.04575	12.9
171.06578	1.1
189.07545	1.3
219.02890	0.9
351.12762	2.4
351.20139	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0152
Annotation	Unknow
Peak:m/z	Relative Intensity
67.20589	1.2
69.96851	6.1
79.05550	5.1
92.72138	1.3
101.94047	1.3
105.03485	4.7
105.07126	2.5
115.05564	3.2
119.05022	5.9
121.02947	1.7
121.06631	3.7
125.02470	1.5
131.05063	7.8
133.06609	4.6
134.03777	2.6
147.04524	9.4
149.06117	22.3
151.03987	3.6
152.01186	3.8
158.03687	2.2
159.04520	20.6
160.04832	1.9
161.02473	1.7
162.03253	23.6
164.01091	2.3
175.04025	43.8
176.04515	3.1
177.01862	1.5
177.05574	43.1
178.05815	1.8
178.99814	2.0
190.61249	1.3
191.03508	2.9
192.00674	20.4
193.01076	2.1
193.05112	4.2
203.03516	45.7
204.03876	1.9
206.02243	2.8
219.02951	2.8
221.04564	100.0
222.04892	6.6
224.62526	1.2
247.02483	67.4
248.02841	4.2
265.03571	14.0
291.01413	2.2
311.89490	1.2
335.00510	1.9
353.01572	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	353.0154
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.5
79.05521	7.3
89.66975	2.9
103.05545	2.5
105.07144	4.5
107.05040	3.8
116.97369	2.6
119.04995	3.7
121.03022	3.2
121.06625	4.1
124.49498	2.8
131.05066	12.7
133.06616	7.7
134.03683	5.1
137.02383	3.1
147.04503	10.5
149.06099	43.3
150.06538	2.5
158.03766	2.7
159.04530	28.3
161.02480	3.0
162.03259	20.7
175.04024	49.7
176.04475	3.6
177.01964	3.7
177.05598	96.6
178.05890	6.0
179.03523	3.1
191.03476	3.1
192.00629	9.3
193.05055	3.6
203.03520	42.6
206.02238	4.7
219.02975	7.5
221.04579	100.0
222.04816	6.6
246.80856	2.9
247.02522	56.9
265.03598	34.6
291.01483	2.7
309.02563	2.8
335.00436	9.0
335.69046	2.5
353.01434	3.1
379.96027	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	353.0155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	1.8
69.86035	3.1
79.05546	5.3
91.05551	1.7
93.07157	1.3
102.13995	0.6
102.76143	0.7
103.05557	1.5
105.03481	4.7
105.07116	2.2
105.79877	0.6
106.04272	0.9
107.01386	1.4
107.05062	1.2
109.02990	0.9
115.05577	3.1
117.03489	0.9
118.04276	1.4
119.05043	5.4
119.43262	0.6
121.03013	1.6
121.06612	4.0
123.04487	0.9
125.02498	1.9
130.04271	1.8
131.05060	8.9
132.27470	0.7
133.02939	1.7
133.06613	4.1
134.03757	2.4
135.04456	0.9
136.01730	1.0
145.02953	1.5
147.04527	11.4
149.02477	1.4
149.06100	23.5
150.06506	0.9
151.04048	4.0
152.01190	3.1
158.03764	2.5
159.04543	22.6
160.04869	1.7
161.02463	3.2
162.03241	25.6
163.03624	2.0
164.01144	3.0
165.05525	1.4
173.02246	0.7
175.04016	48.2
176.04395	2.9
177.01924	2.9
177.05589	40.9
178.02722	1.3
178.05930	2.8
178.99872	2.0
179.03468	0.6
191.03558	3.1
192.00682	24.1
192.02438	1.5
193.01219	1.2
193.05103	4.4
203.03531	43.2
204.03876	3.3
205.01492	2.2
206.02164	3.2
219.03033	2.4
221.04581	100.0
222.04910	5.9
247.02502	69.2
248.02853	5.8
265.03564	11.2
266.03595	0.7
291.01581	3.1
309.02570	1.4
335.00500	1.7
353.01526	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	350.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75939	14.5
59.01381	64.9
63.91942	13.8
71.56226	14.6
91.56483	13.8
96.96027	25.9
101.49051	12.1
118.87717	11.5
121.02922	12.2
161.02441	52.9
189.02020	18.4
192.95874	57.8
233.00899	18.0
261.00452	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.9997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57595	0.8
57.03460	1.2
59.01107	1.5
59.01387	26.9
65.00320	1.4
67.01875	1.5
71.01392	7.8
71.57083	1.3
72.99300	1.3
73.02940	1.9
75.00868	1.0
77.03967	1.0
83.01389	3.3
85.02962	3.8
87.00873	1.1
89.02453	5.8
89.04000	0.9
91.05530	4.8
91.96724	0.9
93.03468	2.0
96.95984	1.2
99.00883	1.0
101.02460	5.6
101.03976	1.5
107.05024	2.1
109.02981	1.2
109.76189	0.9
111.04534	1.0
112.11632	0.9
113.02473	3.3
117.03478	3.1
119.03528	1.7
119.05041	10.8
119.52291	0.8
120.99646	1.4
121.02950	1.0
125.02460	3.6
129.03493	1.3
131.05040	1.0
132.02187	4.1
133.02994	1.4
135.04521	4.3
145.02940	14.0
146.03732	1.7
147.04536	15.6
148.01642	1.2
149.02512	0.9
151.00363	3.7
153.00717	1.5
153.01964	28.7
153.03067	1.0
154.02271	1.1
157.02946	0.9
160.01688	1.8
161.02431	2.6
161.04616	1.6
163.03976	8.1
167.05914	1.2
171.10226	1.6
173.02457	11.7
174.03238	3.5
175.04019	37.3
176.01184	3.4
176.04326	2.4
177.01938	1.8
179.03568	0.9
179.05585	1.4
189.01956	3.1
189.11317	2.8
190.02704	9.0
191.03520	46.3
192.03857	2.3
201.01904	4.2
204.00613	3.6
204.06776	1.3
205.01476	1.2
217.01489	0.9
219.03001	100.0
220.03331	6.3
231.99997	0.9
245.00928	4.5
261.00381	1.8
263.01965	36.7
264.02286	2.9
288.99939	1.5
307.00970	52.3
307.13092	1.8
308.01334	4.6
315.07275	9.1
333.10904	1.1
351.03665	1.4
351.07761	1.0
351.11877	3.1
351.16534	13.5
351.20361	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	349.151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.8
57.03458	4.0
58.00587	1.7
59.01390	40.1
69.03452	1.6
70.57616	0.7
71.01393	32.4
71.05037	1.2
72.99313	2.4
73.02962	5.3
79.01919	0.7
81.03458	0.7
83.01403	5.4
83.05029	1.1
85.02962	9.4
87.00877	2.2
89.02459	15.7
91.96662	0.7
93.03448	0.9
95.01424	4.4
96.96053	0.8
97.02960	1.1
99.00892	3.4
101.02452	18.0
101.73907	0.8
107.01418	0.9
107.05048	1.1
108.04587	1.5
109.02986	1.6
110.06142	4.8
111.00884	1.7
111.04575	0.9
113.02470	8.2
117.03475	1.9
119.03503	5.4
119.05019	2.3
121.02969	1.1
121.06590	0.8
122.03735	0.8
122.06139	2.1
123.00888	4.7
123.08240	0.8
125.02464	2.7
125.09712	3.4
133.02954	3.1
135.04536	2.2
136.01649	1.2
136.07719	1.6
137.02470	1.5
137.06090	1.1
141.09285	0.8
143.10764	1.6
145.02937	4.2
147.04520	2.9
149.02469	1.3
151.04024	3.4
151.07664	1.9
159.04480	1.0
161.02556	3.7
161.04552	2.4
162.03101	1.6
163.04019	3.9
165.05566	2.1
166.99895	1.0
169.01385	1.5
169.08736	17.1
173.02441	3.5
175.04036	1.1
177.01956	1.6
177.05548	0.9
179.05469	0.9
185.02391	2.2
187.04010	1.1
187.09798	5.4
189.01967	4.6
190.02722	5.2
191.03520	24.0
192.03885	2.2
201.02007	2.5
203.03551	2.2
204.04233	1.1
205.01500	1.0
205.05109	1.0
205.09857	1.1
207.03006	2.5
209.04533	1.7
217.01576	2.2
219.03098	1.2
228.00488	0.9
229.01414	3.9
231.02939	0.9
233.00987	1.6
233.13007	3.4
234.01753	0.8
235.02525	6.9
245.00841	1.0
247.02525	1.3
249.04138	1.1
257.00967	3.2
258.01517	0.8
259.02618	1.5
261.04242	1.1
271.06134	1.7
273.00385	1.1
275.02045	5.7
277.03619	4.2
277.11996	6.0
283.99643	2.1
299.99179	3.1
300.99927	59.9
301.10950	1.7
302.00217	9.6
305.02936	1.1
337.05630	2.1
349.03839	2.4
349.15076	100.0
350.15491	8.5
371.33810	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31885	0.4
55.45544	0.5
59.01377	1.8
67.77728	0.5
69.39127	4.3
71.01382	0.7
89.03963	0.6
94.21575	0.6
101.02480	0.7
105.03469	1.0
116.47491	0.4
116.71489	0.5
121.02925	0.5
122.03764	6.5
125.09769	0.6
126.10066	1.1
133.02910	2.6
138.98810	0.6
152.03552	100.0
153.03867	5.2
161.02478	6.9
163.04048	0.7
165.60553	0.5
177.01903	0.7
187.09810	1.7
188.10126	1.4
189.01996	2.9
205.01604	0.6
217.01393	0.8
217.66505	0.5
233.00928	1.7
245.00945	1.2
261.00406	16.8
262.00714	0.5
278.00150	1.2
350.06592	0.9
351.10992	0.6
351.21725	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60897	1.3
54.00193	1.4
54.10615	1.2
54.44512	1.3
56.98033	8.2
59.01378	6.6
60.88352	1.2
60.97520	1.5
62.48767	1.4
63.96244	1.9
69.53370	1.1
69.72185	7.2
71.01374	3.2
72.99327	2.3
73.98321	2.4
74.99106	98.4
87.00889	10.1
99.02734	4.4
101.02433	2.6
110.01971	13.6
113.02555	1.6
118.98091	5.7
120.99649	6.0
127.02248	13.2
128.03027	42.8
136.99164	100.0
144.01999	1.8
147.04573	2.5
161.04581	2.0
169.10579	4.6
179.09023	4.3
185.11928	2.3
197.10075	17.4
198.10251	1.8
209.11873	2.3
223.08028	6.2
241.09053	9.3
329.10391	3.3
347.11697	53.2
347.16241	2.8
348.12079	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	348.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09489	2.9
51.29113	2.8
59.01385	100.0
61.98851	5.0
63.70909	3.1
71.57301	4.6
71.75703	3.0
78.31406	3.1
87.56434	3.0
149.02438	5.6
161.02434	3.3
162.18605	3.2
187.07494	3.3
202.99873	3.6
222.65480	3.2
257.18451	3.5
261.00436	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	348.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.7
61.98835	100.0
62.98544	0.5
63.99271	0.8
67.15404	0.3
71.55826	0.5
80.54585	0.3
90.01369	0.3
146.95255	0.3
153.68068	0.3
162.98497	1.2
183.79057	0.3
203.99928	1.6
205.00105	3.5
205.02954	0.3
205.99727	5.0
206.97456	61.7
207.97566	4.7
313.56390	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0909
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27456	1.8
59.01384	20.3
59.02896	1.8
70.57469	5.8
71.01390	18.9
72.99302	2.0
73.02941	2.2
85.02938	2.7
89.02455	27.6
95.01341	2.2
101.02450	14.1
113.02441	8.1
119.03526	11.0
131.03510	3.8
143.03490	2.0
149.04489	2.9
151.06128	6.9
161.04538	3.0
179.05624	21.9
180.05927	2.4
240.24966	2.1
274.83249	2.3
313.11423	100.0
314.11856	10.0
323.64697	2.0
349.09201	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2801
Annotation	5-(8Z-Heptadecenyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
59.36990	0.5
70.43449	1.0
77.97600	0.5
83.24017	0.5
110.78233	0.5
121.02940	0.6
122.03754	23.5
123.04100	0.8
124.01693	0.7
135.04533	5.9
136.01707	3.2
146.15289	0.5
149.06078	1.1
177.09181	1.6
191.10834	0.9
205.12344	1.3
219.13969	0.8
345.28015	100.0
346.28384	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	346.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05495	0.3
56.92187	0.4
58.59563	0.4
59.01385	29.6
60.01712	2.9
61.01806	0.6
61.98837	100.0
66.48750	0.4
69.75345	2.1
74.80985	0.4
78.67786	0.4
130.22194	0.4
130.63605	0.4
147.85164	0.4
157.03549	0.5
158.03752	1.0
159.03377	1.6
201.02579	3.9
202.02722	11.5
203.02321	14.7
204.00008	42.1
204.02664	3.0
205.00133	3.0
205.02928	0.6
346.01242	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49656	8.6
57.03450	17.8
59.01379	53.7
67.01916	10.2
71.01400	94.9
71.56524	9.3
73.02940	26.0
74.23648	10.9
75.00872	11.6
78.95913	56.3
83.01392	35.8
85.02968	32.0
96.96971	35.6
99.00883	45.3
101.02428	21.3
111.00896	77.3
112.98822	26.8
113.02435	11.8
120.99641	8.9
124.98814	12.3
125.78773	8.8
129.01974	100.0
129.47296	7.8
142.99867	99.7
145.01447	13.0
161.04568	8.9
166.99844	13.0
173.00891	54.3
178.45641	10.0
195.05104	21.0
301.07925	9.7
329.01505	11.1
347.07288	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	347.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53989	0.8
56.98042	6.3
57.06901	0.7
59.01382	4.2
60.97534	1.6
63.96229	1.6
69.26637	7.1
71.01386	1.8
72.99319	3.0
73.98331	2.7
74.99108	100.0
82.72439	0.7
85.02968	1.0
87.00881	5.7
94.30904	0.8
99.02756	2.5
101.02467	1.2
110.01968	6.2
113.02525	0.8
118.98106	3.7
120.99678	1.8
127.02265	6.2
128.03043	17.2
135.98399	2.0
136.99161	99.7
137.99507	1.4
139.71852	0.7
161.08784	0.7
169.10605	1.9
179.09012	1.6
185.02931	1.0
185.11830	1.2
196.52638	0.8
197.10045	5.9
223.08017	2.4
241.09070	2.9
347.11749	37.3
347.17026	7.7
347.21027	1.2
348.12177	3.8
348.18005	1.0
363.69724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43330	2.1
52.69508	1.7
56.98033	2.6
57.03452	18.0
59.01380	6.2
63.96240	21.2
68.24166	1.7
71.01391	3.8
71.05022	7.1
72.99326	20.5
73.98320	11.4
74.99104	31.3
83.01407	1.9
87.00881	31.0
95.05044	5.4
96.00426	2.4
96.96021	3.6
97.01182	7.0
97.02962	23.4
98.03239	2.2
101.02468	3.5
111.02731	9.2
115.02256	25.1
117.97324	15.3
120.99750	2.3
126.46173	1.9
127.02162	2.6
129.03810	3.1
135.98378	55.5
136.99197	16.2
137.02458	4.1
137.04343	22.3
139.04031	100.0
140.03030	20.5
140.04236	4.0
153.07443	2.0
155.05391	45.1
161.09773	3.3
163.04070	2.7
165.01976	14.3
165.09225	2.0
176.03445	3.1
177.07434	22.9
181.06984	5.8
183.02995	6.8
187.11331	4.4
199.00351	2.2
199.07999	13.4
204.69438	2.4
213.09537	3.7
221.10072	39.4
222.10439	4.3
227.00041	2.5
239.11131	69.9
240.11487	5.9
257.12192	67.3
258.08069	2.7
258.12503	6.0
270.98825	10.0
286.76315	2.2
300.99915	17.0
326.97775	17.4
327.13190	4.8
344.98907	7.5
345.08316	29.1
345.13797	50.6
346.08850	2.0
346.14056	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	345.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42871	0.7
58.40350	0.7
59.01388	25.5
71.01385	2.9
71.05016	1.7
72.99289	1.0
74.99094	2.2
75.23411	0.7
78.43299	0.8
78.69868	0.7
87.00861	1.9
89.02448	1.5
93.03466	10.4
95.05002	1.1
97.02956	4.8
107.01404	1.7
107.05035	0.9
111.00861	1.0
113.02385	0.7
119.05074	1.0
121.02971	30.1
122.03323	1.1
123.00953	1.5
123.04539	100.0
124.04821	3.9
125.02467	8.8
135.04356	0.8
136.99129	2.6
137.02460	4.2
139.04028	22.2
140.04379	1.2
151.07649	0.9
165.01961	3.4
169.01442	15.9
170.01840	0.9
177.05571	1.0
181.01422	2.3
181.05046	1.8
182.02153	0.8
183.03044	3.9
183.05565	1.5
239.11125	1.6
257.12317	1.8
285.09961	1.4
292.02448	0.9
300.99933	3.3
313.05661	2.1
327.03641	0.9
345.04440	1.6
345.08093	12.8
346.08517	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	345.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
56.98018	2.0
57.03457	11.8
59.01371	5.2
63.96243	22.1
66.36077	1.6
69.41989	13.7
71.01379	6.3
71.05019	8.5
72.99324	19.6
73.01196	2.0
73.98334	12.3
74.99101	22.0
75.89393	1.8
85.07181	1.7
86.69131	2.1
87.00887	23.3
87.02757	2.2
95.05028	6.4
96.00437	2.2
97.01173	5.2
97.02954	17.0
99.99902	2.2
101.02452	2.0
111.02738	8.4
113.04288	2.7
115.02248	22.1
117.97341	13.2
120.99638	1.8
121.06641	2.4
129.03841	2.1
135.98381	54.6
136.99184	18.3
137.02528	2.4
137.04321	18.9
139.04028	100.0
140.03021	15.8
140.04189	3.8
155.05392	42.4
156.05727	3.1
161.04265	2.4
161.09770	2.6
162.98758	1.7
163.04004	2.3
165.01944	14.1
177.07460	20.2
181.06937	6.1
183.02998	6.4
187.11272	4.0
195.08517	3.4
199.07985	10.9
203.09047	3.0
206.07585	1.9
213.09558	2.7
215.15450	1.9
217.47647	1.7
221.10074	31.2
227.28908	2.1
239.11137	54.2
240.11385	5.1
242.40376	2.0
242.99377	2.4
257.12201	55.8
258.12381	4.2
270.98883	3.2
298.98328	3.7
300.99881	21.4
326.97867	15.8
327.98221	3.0
344.98996	11.8
345.08212	23.7
345.13779	39.7
346.14063	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	345.1096
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
55.50387	0.6
59.01380	1.3
59.60572	0.7
69.87258	2.9
71.01396	1.2
94.02965	0.9
95.03779	3.1
96.08194	1.6
104.05089	1.4
106.06637	6.1
109.02965	1.2
112.04074	1.2
120.99672	0.9
122.06128	2.8
124.07705	7.2
132.04570	39.8
133.05367	24.0
134.06158	6.3
135.06502	0.9
138.05611	0.6
146.02548	0.9
148.04028	2.1
150.05605	1.9
151.04031	1.1
161.60707	0.6
165.04330	25.2
166.04666	1.4
172.11371	0.8
176.03526	1.5
176.07176	1.1
177.04398	3.8
178.05128	1.7
183.10283	2.5
184.07668	1.1
185.08485	0.9
186.09276	4.4
198.09338	1.2
199.00682	0.7
209.03293	6.9
213.06703	3.7
214.12364	7.9
215.11905	8.3
216.12161	1.0
226.07405	1.3
227.08244	1.1
229.09738	3.7
240.08832	1.1
240.10475	1.0
241.09804	5.2
242.99327	0.8
244.34578	0.8
255.11406	1.6
257.10361	1.4
257.12979	25.3
258.13339	2.1
267.06628	2.3
270.98950	0.8
282.08969	1.8
283.10944	10.1
284.11569	0.7
297.11340	2.8
301.00021	2.6
301.11963	19.0
302.12177	2.0
326.97778	2.7
327.09830	1.1
345.10916	100.0
346.11264	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	345.119
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89803	1.4
59.01385	27.2
68.31489	1.0
68.67307	1.0
69.65836	4.4
71.01417	6.4
71.05000	2.3
72.99297	1.3
74.99103	4.4
75.68571	1.2
77.11657	1.2
83.01400	1.1
85.02933	2.7
89.02470	2.8
93.03466	33.2
95.01347	1.4
95.05035	1.3
97.02957	6.3
98.19940	2.0
101.02448	4.4
107.01379	2.5
107.05015	1.2
113.02465	2.6
119.05035	1.4
121.02967	31.6
123.00920	1.3
123.04538	100.0
124.04858	4.4
125.02462	14.5
136.99104	3.1
137.01462	2.3
137.02458	30.7
138.02826	1.1
139.04025	31.8
149.02431	1.2
151.00369	1.4
154.50363	1.1
163.04042	1.6
165.01944	5.0
166.99864	1.1
169.01448	22.2
170.01631	1.5
173.02386	1.1
181.01440	14.7
181.05110	2.4
181.07140	1.3
182.05376	1.2
183.02966	5.2
183.05435	1.8
183.08240	1.4
221.04568	2.0
239.11200	2.4
257.12286	2.5
265.03644	1.6
285.09857	2.1
300.99985	8.0
313.05408	2.4
326.97763	3.2
344.99057	2.1
345.08249	53.1
345.11551	2.4
346.08600	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0829
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.78170	0.2
55.01878	1.2
66.18687	0.2
67.23290	0.2
69.03429	0.2
69.34325	1.6
71.01398	0.3
71.05032	8.2
73.02956	0.2
83.01395	1.0
84.88697	0.2
85.02977	0.3
88.27411	0.2
93.03461	0.3
95.05036	5.0
97.02962	21.6
98.03313	0.7
101.02457	0.5
113.02484	0.2
121.02144	0.2
121.02967	0.8
137.02444	2.1
139.04030	100.0
140.04372	3.8
153.05548	0.3
161.04556	0.3
163.04036	1.6
165.01949	13.5
166.02231	0.5
183.03011	5.0
183.04581	0.4
184.03401	0.2
207.03021	0.5
327.07138	0.3
345.08301	26.9
346.08652	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	345.083
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
59.01384	1.8
63.10979	0.5
69.03479	1.2
69.29553	1.7
69.29979	2.7
71.01405	1.4
71.05023	1.5
72.99322	0.6
74.99094	1.1
77.03972	0.9
79.01884	0.5
79.38768	0.5
83.01398	1.8
85.02977	1.0
89.02433	0.9
93.03468	0.8
95.01399	0.6
95.05055	1.2
97.02957	6.1
98.20645	1.0
99.00884	1.3
101.02447	0.8
102.81974	0.5
110.00126	1.2
111.00909	3.1
117.94638	0.4
119.03551	0.6
119.65969	0.5
120.99653	2.0
121.02967	1.3
122.06107	0.6
136.99097	1.7
137.02478	5.6
139.00385	3.5
139.04030	21.7
140.01207	1.0
140.04352	1.0
141.01949	4.0
146.06078	0.5
151.04007	0.9
153.01978	3.6
155.03503	0.5
163.03975	0.8
165.01936	10.3
165.99088	3.0
166.99872	2.2
167.03574	0.6
168.04538	0.5
169.00215	0.9
181.01466	5.5
182.02231	100.0
183.03001	94.0
183.10246	1.9
184.03604	2.8
187.11263	0.5
195.02992	2.2
195.08511	0.9
207.03067	0.8
225.03981	0.6
229.17218	0.5
257.12189	3.9
279.01727	0.5
301.03647	1.5
312.77057	0.5
316.53278	0.5
345.08261	65.9
346.08606	5.5
361.98944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
57.03438	0.1
59.01385	0.4
63.96244	0.3
69.03463	0.2
71.01390	0.8
71.05029	7.6
72.05364	0.2
72.99310	0.4
73.02970	0.2
74.99107	0.4
80.02718	0.1
83.01395	1.0
85.02961	0.3
87.00890	0.5
89.02465	0.2
93.03456	0.4
95.01402	0.1
95.05038	5.2
96.05344	0.2
97.02963	21.2
98.03288	0.5
101.02460	0.4
111.04543	0.1
113.02477	0.3
115.02247	0.5
115.04024	0.2
117.97301	0.3
120.99660	0.3
121.02985	0.7
135.04597	0.2
135.98375	0.8
136.99170	0.3
137.02472	1.8
137.04266	0.1
138.03252	0.2
139.04028	100.0
140.03235	0.2
140.04364	4.3
153.05583	0.4
155.05421	0.2
161.04585	0.2
163.04016	1.3
164.04433	0.1
165.01950	13.2
166.02292	0.5
171.00874	0.1
177.07408	0.1
181.05084	0.4
183.01373	0.2
183.03004	4.9
183.06471	0.1
184.03439	0.2
199.08011	0.2
207.02954	0.5
214.99858	0.1
221.10115	0.4
226.99838	0.1
239.11084	0.7
242.99316	0.2
257.12198	0.7
270.98853	0.2
298.98077	0.1
300.99921	0.9
326.97794	1.0
327.07120	0.1
345.08273	25.8
346.04831	0.2
346.08670	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	345.0828
Annotation	Methyl gallate 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01853	0.9
57.03453	1.0
59.01386	15.2
63.00652	0.8
63.39053	0.8
63.96223	3.1
69.03401	0.9
71.01385	9.2
71.05016	1.8
71.10106	1.4
71.10431	0.9
71.53032	0.7
72.99326	4.3
73.02972	0.8
73.98298	1.5
74.98787	0.7
74.99106	6.9
83.01457	0.9
84.51825	0.9
85.02939	2.2
87.00881	1.5
89.02460	5.6
93.03469	61.4
94.03799	2.7
94.68555	0.9
94.79765	0.7
97.02965	4.2
101.02462	6.8
104.03472	0.9
110.00151	0.8
113.02417	1.5
117.97297	3.0
119.05118	0.9
121.02976	9.8
123.04539	32.8
125.02451	4.9
135.98370	9.4
136.99164	7.5
137.02461	60.1
137.04231	2.7
138.02783	2.6
139.04030	17.9
140.03018	1.3
151.04068	0.7
154.17549	1.1
155.05334	2.0
165.01918	2.4
169.01440	11.1
177.07437	1.5
181.01450	32.4
181.07170	2.5
182.01810	1.0
183.03029	2.6
183.06615	2.2
195.67413	0.8
207.94829	0.9
221.08203	0.8
221.10074	4.8
239.11113	9.6
257.12186	8.5
265.03485	1.0
270.98828	0.8
300.99844	6.3
326.97955	4.7
345.08286	100.0
345.13544	5.1
346.08728	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	343.2645
Annotation	5-(8Z,11Z-Heptadecadienyl)-1,3-benzenediol
Peak:m/z	Relative Intensity
70.87884	1.1
75.74683	0.4
80.86699	0.4
96.57999	0.4
97.91059	0.5
108.02197	0.7
121.02995	0.8
122.03749	25.8
123.00922	0.5
123.04286	0.5
124.01669	1.9
130.16225	0.4
135.04530	10.7
136.01662	4.3
136.54555	0.4
149.06073	1.6
176.13397	0.5
177.09163	1.2
191.10809	1.5
205.12292	1.7
219.13924	1.3
229.91994	0.5
233.15361	1.0
262.51169	0.4
273.18283	0.7
343.26428	100.0
344.26813	13.4
365.00287	0.5
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
65.99844	0.4
69.26240	1.4
69.92249	0.1
94.33965	0.1
98.20674	0.3
104.86862	0.1
109.02962	0.4
123.04527	0.7
137.02451	2.3
138.05771	0.1
146.10980	0.1
151.04027	1.6
152.04800	5.3
167.02258	2.3
180.03029	0.5
181.03838	2.7
182.04593	100.0
183.04941	4.8
199.01186	0.9
244.44875	0.2
270.98285	0.3
298.97919	0.3
314.00296	0.7
329.02628	0.6
344.09882	17.7
345.10229	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	345.0254
Annotation	(3Z)-Chlorofucin
Peak:m/z	Relative Intensity
57.03311	0.5
59.01362	0.7
69.00293	0.5
70.71850	1.6
83.85117	0.6
96.75678	0.6
116.44745	0.5
187.00354	1.5
202.99821	0.6
214.99846	2.2
230.99356	13.2
231.99800	0.8
242.99396	1.1
258.98807	5.1
274.01306	0.7
279.04498	0.7
283.99951	0.6
285.00348	0.9
286.98364	26.8
287.98703	1.5
299.98834	2.5
300.99905	6.0
302.00592	0.8
311.99142	3.2
312.99768	1.7
314.97836	100.0
315.98148	8.2
328.99448	7.5
330.00146	60.9
331.00470	6.9
345.02527	84.3
345.22995	0.8
346.02832	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	343.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00610	0.2
59.01388	100.0
60.01724	1.1
63.75638	0.2
67.70699	0.2
69.41470	1.0
69.41893	1.2
71.01393	4.3
71.18784	0.2
72.99343	0.5
85.02975	0.7
86.99134	0.4
87.00867	0.5
89.02459	5.3
101.02453	1.7
113.02461	2.1
117.00135	0.3
119.03517	1.8
120.99725	0.4
124.59306	0.3
137.09738	1.3
138.40279	0.2
143.03566	0.4
148.65569	0.3
149.04512	0.3
161.04543	0.5
168.30362	0.3
179.05693	1.0
181.08827	1.0
191.05739	0.3
255.08046	0.3
255.10779	1.0
299.89688	0.3
340.62912	0.3
342.90222	0.5
343.08481	0.4
343.12317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.4
59.01386	100.0
65.52316	2.1
68.95057	2.1
69.73106	5.9
69.73500	3.4
71.01400	9.6
72.99313	8.4
75.32906	1.8
84.14278	1.9
85.02939	2.8
88.56764	1.7
89.02438	9.2
99.02768	2.5
101.02449	5.6
113.02465	4.1
119.03489	2.9
120.99681	15.2
133.06564	2.1
137.09732	4.2
167.09035	6.6
167.10793	4.3
168.00746	2.5
179.05675	2.1
179.07097	2.5
181.08818	9.8
184.01028	2.0
191.05637	3.8
207.08185	3.8
211.07964	7.3
219.08276	2.4
225.09166	2.6
235.07671	2.1
237.09341	8.3
253.08734	10.7
255.06833	4.3
255.10660	23.0
269.08304	2.5
281.08191	3.4
284.05887	2.2
297.07715	3.3
299.09244	2.1
307.06122	2.5
315.08737	20.9
319.52292	1.9
325.07080	3.5
326.97977	1.9
343.01205	2.9
343.08218	23.2
343.12692	12.9
344.08267	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	343.1246
Annotation	lactitol
Peak:m/z	Relative Intensity
55.01879	1.5
57.03450	1.8
58.00605	3.4
59.01388	100.0
60.01722	2.4
61.01808	2.5
67.03957	0.6
69.03455	0.8
70.67192	0.8
70.67506	1.1
71.01393	59.9
72.01747	1.5
72.99329	3.5
73.01814	0.8
73.02968	4.2
75.00871	0.7
78.95918	0.9
81.03464	1.0
83.01413	2.4
85.02965	14.4
85.03469	1.0
86.03316	0.7
87.00883	4.2
89.02456	77.6
90.02792	2.6
91.02895	2.3
95.01398	4.1
97.02984	1.4
99.00889	0.6
101.02459	46.6
101.19915	0.6
102.02814	2.3
103.02885	0.8
109.02988	2.2
113.02464	23.0
114.02787	1.0
115.04044	0.7
119.03520	31.9
120.03913	1.2
121.03971	0.7
124.39168	0.5
125.02469	1.0
131.03517	7.5
143.03516	8.2
149.04614	3.1
161.04564	9.1
163.04947	0.6
163.06157	10.4
179.05638	28.3
180.05995	1.8
181.07240	16.4
182.07535	0.7
193.66905	0.8
194.08527	0.6
216.50317	0.5
222.20605	0.6
224.38342	0.7
343.12457	53.2
344.12881	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	343.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.5
57.03450	1.8
58.00605	3.4
59.01388	100.0
60.01722	2.4
61.01808	2.5
67.03957	0.6
69.03455	0.8
70.67192	0.8
70.67506	1.1
71.01393	59.9
72.01747	1.5
72.99329	3.5
73.01814	0.8
73.02968	4.2
75.00871	0.7
78.95918	0.9
81.03464	1.0
83.01413	2.4
85.02965	14.4
85.03469	1.0
86.03316	0.7
87.00883	4.2
89.02456	77.6
90.02792	2.6
91.02895	2.3
95.01398	4.1
97.02984	1.4
99.00889	0.6
101.02459	46.6
101.19915	0.6
102.02814	2.3
103.02885	0.8
109.02988	2.2
113.02464	23.0
114.02787	1.0
115.04044	0.7
119.03520	31.9
120.03913	1.2
121.03971	0.7
124.39168	0.5
125.02469	1.0
131.03517	7.5
143.03516	8.2
149.04614	3.1
161.04564	9.1
163.04947	0.6
163.06157	10.4
179.05638	28.3
180.05995	1.8
181.07240	16.4
182.07535	0.7
193.66905	0.8
194.08527	0.6
216.50317	0.5
222.20605	0.6
224.38342	0.7
343.12457	53.2
344.12881	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	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
59.01376	4.0
62.30455	0.6
69.41628	4.4
71.01399	1.9
73.02975	0.9
73.84917	0.5
83.01389	0.6
85.02962	1.1
89.02468	0.8
90.98603	4.4
99.04543	0.8
101.02479	0.8
109.02987	1.4
120.99678	1.1
121.03033	0.6
122.03748	11.3
123.04529	1.9
130.00990	1.3
135.04549	2.1
135.36865	0.5
136.05316	71.4
137.06171	9.3
137.09781	0.6
138.06390	0.6
139.07668	1.6
142.38976	0.6
143.03482	0.6
151.04019	1.5
151.07661	0.6
153.01961	0.8
163.04129	0.6
171.04878	7.1
179.07153	2.3
179.10730	0.7
180.04298	100.0
181.05052	20.9
181.08691	2.0
182.05341	0.7
184.89807	0.6
191.05585	0.8
191.07184	1.6
193.05122	1.8
205.12320	4.0
206.64877	0.6
223.06125	1.1
225.03780	0.6
237.09579	2.1
253.07224	2.2
255.10570	2.7
257.57251	0.6
289.58453	0.6
343.10312	61.5
344.10635	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	343.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79653	4.7
57.03450	10.6
59.01374	18.0
66.41393	4.1
70.21143	4.5
71.56117	5.1
72.99311	4.8
73.59750	3.9
87.00864	8.1
89.00755	4.2
89.02449	5.1
90.98595	29.3
115.02277	5.0
115.97128	4.4
118.98116	10.1
120.99718	6.7
122.75444	4.4
123.24451	3.9
130.00964	19.8
137.06088	14.9
139.07706	10.4
153.07379	6.3
160.04008	6.0
161.09729	7.1
163.03894	4.1
171.04861	10.9
181.03830	11.6
190.70715	4.4
191.05656	9.6
193.06926	14.9
195.08467	11.1
205.12341	19.2
208.73465	4.2
237.09528	14.2
255.10611	100.0
287.34589	4.7
336.37991	4.4
337.40463	4.7
343.00903	9.9
343.12476	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	343.1036
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
51.42819	0.3
59.01394	1.0
69.24018	2.1
76.58689	0.2
102.95650	0.2
107.05052	1.0
122.26315	0.2
123.04512	0.5
125.02438	0.3
125.06111	0.2
135.04533	2.4
136.04066	0.3
137.02461	0.3
138.03236	8.6
139.03606	0.4
147.03220	0.3
151.04005	2.9
152.04817	3.2
153.05582	11.2
154.05873	0.5
164.03513	0.3
166.02705	0.3
179.03485	2.9
180.04382	1.3
180.05730	0.3
181.05074	100.0
182.05641	3.8
183.01271	0.3
191.05624	0.4
197.02791	0.4
297.97604	0.5
299.02167	0.7
299.99191	0.7
300.99585	0.2
312.99826	0.5
315.01385	0.4
328.02243	0.7
343.00967	1.6
343.04666	0.4
343.10123	0.7
343.15991	1.6
343.21191	0.9
344.09912	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0672
Annotation	Theogallin
Peak:m/z	Relative Intensity
59.01385	1.3
67.75995	0.2
69.03440	0.3
71.01377	0.8
71.32584	0.5
74.30264	0.2
81.03436	0.3
82.92974	0.2
83.05001	0.3
84.74903	0.2
85.02959	8.0
87.00868	1.5
93.03472	2.8
99.04543	0.3
107.63119	0.3
109.02959	0.8
111.04538	1.2
119.05027	1.2
121.02954	0.7
125.02451	1.2
127.04024	2.3
127.85863	0.3
147.66780	0.2
156.82065	0.3
169.01439	2.0
171.02946	0.4
173.04608	1.1
191.05626	100.0
192.05977	4.3
267.58249	0.3
343.06744	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	343.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.8
60.01054	0.4
60.01661	0.4
61.98839	0.8
71.01383	2.1
71.27025	0.9
73.02955	0.6
85.02963	1.2
87.00851	0.7
89.02449	1.7
93.03463	0.8
101.02458	1.4
107.05064	0.5
108.02210	0.4
109.02959	0.7
111.92570	0.5
113.02426	1.1
119.03473	0.5
119.05049	1.1
121.02972	100.0
122.03313	3.8
125.02456	0.7
126.48201	0.6
133.02910	0.5
135.04564	0.9
137.02441	1.1
138.02017	0.5
149.06038	0.6
150.30573	0.4
151.03993	0.9
161.02477	0.6
161.36391	0.5
163.02892	0.6
169.01469	0.8
179.03523	0.8
179.87534	0.4
181.01448	1.1
181.05077	1.9
191.05611	5.1
196.06097	0.5
219.02965	0.7
258.01184	0.4
343.06812	2.2
343.10379	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.2
59.01383	3.1
65.98093	0.2
67.01904	0.4
69.03482	0.3
71.01382	1.4
73.02970	0.3
81.03477	0.4
83.01472	0.2
83.05008	0.4
85.02958	8.0
87.00875	1.8
89.02461	1.2
93.03472	3.2
99.00883	0.7
99.04523	0.6
101.02474	0.6
109.02960	0.9
111.04543	0.9
113.02460	0.6
119.03532	0.4
119.05049	1.2
121.02972	0.7
125.02444	1.5
126.63730	0.2
127.04024	2.3
137.02472	0.6
144.42020	0.2
155.03476	0.3
163.00471	0.3
169.01453	2.5
171.03004	0.5
173.04556	1.0
179.05701	0.3
181.01421	0.3
181.05098	0.7
181.07164	0.3
191.05637	100.0
192.05984	3.9
194.27701	0.2
195.86502	0.2
237.04047	0.2
343.06708	4.0
343.12781	0.4
344.07150	0.4
355.43359	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.1
71.04211	1.3
82.28291	0.6
125.02440	1.1
146.00090	0.7
169.01421	0.8
181.06584	0.9
184.85696	0.6
185.99582	0.7
188.82005	0.6
191.05643	0.8
197.02872	0.9
197.99637	1.7
204.13315	0.6
213.99164	1.0
229.01392	0.7
241.98596	1.4
254.99304	1.5
256.00308	0.8
257.01022	2.8
269.98080	38.4
270.98395	2.4
282.98758	1.1
284.97290	1.0
285.00443	16.8
286.00577	1.5
297.97568	66.6
298.97946	4.4
299.01834	1.5
299.99207	1.2
305.23270	0.6
312.99921	100.0
314.00323	8.2
327.01489	0.8
328.02261	99.7
329.02557	9.0
332.98734	0.6
343.01102	3.2
343.04608	63.2
343.15848	4.2
343.21097	1.2
343.24951	0.9
344.04962	5.8
360.48480	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.046
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
51.60489	0.5
59.01363	0.5
61.46842	0.5
62.02608	0.6
69.46947	1.2
69.47345	2.9
91.11366	0.5
91.41704	0.5
116.37610	0.5
133.95099	0.6
137.02429	1.2
146.00064	0.5
152.04802	2.3
153.92850	0.5
167.02376	0.8
182.04591	38.2
183.01102	0.6
185.99588	0.8
197.99579	2.8
213.99048	1.0
223.11621	2.3
241.98584	1.7
254.99263	2.3
255.14232	0.6
257.00839	2.8
269.00986	0.8
269.98077	41.8
270.98358	2.9
282.98853	1.0
283.99597	0.9
284.67108	0.5
285.00436	18.3
286.00693	1.8
297.00452	0.7
297.97552	69.5
298.97885	5.6
299.01852	1.5
312.99911	100.0
314.00244	8.5
325.06790	0.7
327.01550	1.3
328.02255	97.9
329.02576	9.7
343.04584	56.7
343.15790	3.5
343.21320	1.2
344.04877	5.6
344.09549	1.4
362.85910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0462
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
57.00173	0.3
64.15408	0.3
66.42738	0.3
70.09969	0.3
74.28014	0.3
76.12389	0.3
81.18415	0.3
98.20686	0.5
130.00598	1.2
146.00081	0.4
185.99471	0.7
197.99590	2.3
201.02158	0.4
213.01888	0.4
213.99092	1.3
225.99174	0.4
229.01337	0.6
241.01451	0.4
241.98622	2.0
254.99371	2.5
256.00040	0.5
257.00937	2.7
269.01053	0.9
269.98077	42.1
270.98438	3.0
282.98889	0.6
283.99567	0.9
285.00443	17.6
286.00830	1.1
297.00354	0.9
297.97568	70.5
298.97958	5.6
299.01498	0.6
299.99185	0.4
311.99112	0.5
312.99930	100.0
314.00253	9.3
314.03659	0.7
327.01486	1.1
328.02274	98.9
329.02618	10.3
329.05704	0.2
343.04617	58.1
344.04990	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	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01593	0.2
59.01386	79.3
60.01715	0.7
67.60046	0.2
69.80980	1.0
78.95538	0.2
113.04582	0.3
115.02499	0.2
157.03583	6.7
158.03738	0.6
159.01495	2.5
178.95120	0.3
201.02571	100.0
202.02728	8.7
226.41042	0.2
241.31773	0.2
343.03668	2.2
344.04031	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02404	0.2
54.23773	0.2
64.70110	0.2
71.01955	0.2
71.02273	0.2
71.92722	0.2
75.84827	0.2
78.70903	0.2
98.20082	0.2
107.34386	0.2
118.00607	0.2
130.00607	0.6
146.00058	0.4
151.04025	0.3
158.00136	0.4
173.99574	0.4
185.99623	0.8
197.99577	1.8
205.49797	0.2
213.01945	0.4
213.99048	1.3
225.99074	0.2
226.99911	0.3
229.01398	0.6
241.98587	2.2
254.99361	2.1
255.99731	0.3
257.00949	2.9
258.01346	0.3
269.00943	0.9
269.98087	38.3
270.98410	2.9
271.01422	0.3
271.02487	0.2
282.98813	0.7
283.99600	0.9
285.00443	17.2
286.00928	1.1
297.00378	0.4
297.97571	68.1
298.97919	6.0
299.01932	0.6
300.02798	0.2
311.99246	0.5
312.99924	100.0
314.00269	9.0
314.03015	0.2
327.01587	1.0
328.02261	98.7
328.98587	0.3
329.02612	9.1
343.04614	54.1
344.04907	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	343.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89773	0.4
58.69311	0.5
59.01400	2.1
61.36760	0.4
69.77007	2.6
71.01384	1.0
76.91656	0.6
89.02442	1.1
98.19957	0.6
101.02448	0.7
120.99625	0.5
137.02419	0.5
157.02907	0.4
159.04538	1.6
160.01663	0.5
171.04526	0.9
172.01624	1.2
173.02451	0.5
182.04625	1.0
187.03996	2.4
188.01160	0.7
199.00311	1.0
199.03975	0.9
200.01222	1.1
201.01942	1.2
203.03700	0.8
215.03520	5.0
216.00700	2.9
216.51233	0.4
217.01431	1.6
225.01987	0.8
226.99858	1.5
228.00673	0.5
229.01338	0.5
231.02953	1.4
242.99336	1.1
243.03017	4.0
244.00148	2.9
245.00880	1.6
254.99445	0.8
257.00925	0.8
259.02463	2.1
270.98862	0.6
271.02490	1.6
271.99548	1.1
273.00439	1.0
281.01132	0.7
282.31442	0.5
282.98920	1.3
287.02011	7.3
288.02374	0.8
298.98389	0.9
299.02045	1.9
299.99133	51.0
300.99689	8.4
315.01474	9.9
316.01654	1.1
324.99893	0.5
343.00967	100.0
344.01257	10.2
344.09988	1.0
358.13608	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09843	0.6
59.01406	1.4
71.28259	1.0
75.42525	0.6
108.02238	0.9
116.02710	1.1
132.02258	2.1
140.43706	0.6
144.02254	1.1
147.00827	0.8
156.02264	1.4
159.01013	0.7
160.01697	5.7
172.01703	1.5
173.99597	0.8
188.01155	3.9
191.05716	0.6
200.01169	8.1
202.99969	0.9
212.07446	0.5
215.00017	2.1
216.00639	4.7
217.98630	1.6
226.99898	1.0
228.00711	1.7
242.99388	1.7
244.00110	5.4
245.00606	0.6
254.99385	2.7
264.25409	0.7
269.98138	2.6
270.99008	3.5
271.01852	0.8
271.99713	1.9
272.97751	0.7
285.00473	1.3
297.97565	5.6
298.98395	7.0
299.01645	0.9
299.99072	16.7
300.99609	1.4
310.98425	2.1
312.99911	7.4
314.00317	0.9
326.97931	5.2
327.01379	1.2
327.98633	100.0
328.02124	6.5
328.98956	9.7
329.02716	1.0
343.00955	62.9
343.04626	5.9
344.01288	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	341.27
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
52.97842	0.6
57.03468	0.6
58.51675	0.6
59.01395	1.6
61.98853	0.6
63.00476	0.6
71.01396	1.6
83.05062	0.7
89.02444	1.2
115.79053	0.7
122.41828	0.7
147.21564	0.7
172.00900	0.7
213.02226	2.3
227.72855	0.6
277.25415	1.4
279.26974	66.0
280.27322	8.2
285.00241	0.8
297.28036	1.2
313.00076	0.9
323.25925	19.4
324.26324	1.9
340.99399	1.2
341.18207	5.5
341.26996	100.0
342.27335	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	343.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
58.23339	0.6
59.01400	2.2
60.92940	0.6
64.47779	0.6
68.99844	0.6
71.01434	0.5
71.57499	0.6
71.57886	0.7
79.79750	0.6
94.01406	0.6
108.02213	0.7
119.01311	0.6
121.03074	0.7
132.02203	2.2
144.02162	0.6
148.01677	0.7
156.02188	1.7
160.01678	7.0
168.36003	0.5
172.01680	1.4
173.99648	0.9
188.01161	3.9
200.01166	7.6
201.01465	0.6
214.99937	2.0
216.00644	4.9
217.54076	0.5
217.98718	0.9
227.00011	1.0
228.00706	1.7
242.99355	1.1
244.00095	5.5
254.99367	2.5
269.97983	1.4
270.98950	4.0
271.99673	1.9
285.00568	0.7
297.97598	2.5
298.98392	7.8
299.99139	19.1
300.99597	1.3
310.98340	1.7
312.99811	3.6
326.97858	6.3
327.98630	100.0
328.98947	9.6
343.00967	62.4
343.04358	2.3
344.01248	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	341.1377
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49867	6.0
59.01383	82.8
59.26884	6.3
66.25066	5.6
70.71694	17.2
71.01384	69.6
85.02954	8.1
89.02449	66.1
101.02436	21.4
113.02453	28.1
119.03510	24.0
119.05027	8.9
120.99680	45.7
124.01714	9.3
125.02462	6.2
135.04521	20.2
136.75648	6.0
138.03244	6.4
141.20694	6.2
143.10695	14.7
151.94141	6.6
160.04041	10.7
161.02475	14.4
161.04553	10.8
166.02713	13.1
179.03543	13.2
179.05605	17.7
183.01253	10.2
197.02820	37.1
213.02193	6.8
230.02580	9.7
235.09767	9.3
285.00305	8.3
297.00314	10.8
313.00037	16.3
340.99289	20.6
341.02921	11.8
341.06952	11.4
341.10684	40.1
341.14215	100.0
342.14719	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	341.2488
Annotation	Nostocyclyne A
Peak:m/z	Relative Intensity
50.11552	0.3
59.01379	0.4
69.69251	1.5
79.39287	0.3
79.45871	0.3
108.02189	1.1
121.02991	0.7
122.03755	28.9
123.00908	0.9
123.04065	0.6
124.01683	2.2
135.04541	21.4
136.01674	7.4
136.05193	0.6
137.02480	0.3
148.05302	0.6
149.06071	4.0
163.07693	0.3
177.09221	2.5
185.00826	0.5
191.10786	2.6
192.11555	0.3
205.12340	2.0
214.95946	0.3
216.98959	0.3
219.13934	1.2
224.98346	0.3
231.13889	0.3
232.14749	0.3
233.15640	0.3
245.15201	0.3
248.52103	0.3
284.88141	0.3
297.18481	0.7
311.20197	1.4
312.99783	0.3
325.21777	1.2
339.23340	4.0
340.23703	0.7
341.24863	100.0
342.25217	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	341.1089
Annotation	Trehalose
Peak:m/z	Relative Intensity
54.57809	0.5
55.01870	0.7
56.06097	0.4
57.03451	2.1
57.43384	0.5
58.00604	4.3
59.01387	100.0
59.24034	0.4
60.01722	0.7
61.76579	0.5
62.42720	0.4
68.24025	0.5
69.03432	0.5
70.90484	0.9
70.90808	0.5
71.01390	66.4
72.01733	1.3
72.99310	3.5
73.02965	1.6
75.00893	1.5
76.29845	0.5
80.84290	0.4
83.01389	2.3
85.02962	9.9
87.00889	5.0
89.02456	82.5
90.02803	1.7
95.01398	5.0
97.03019	0.6
99.00922	0.9
99.04509	0.6
101.02454	33.1
102.02828	0.7
113.02462	23.0
114.02805	0.7
119.03512	28.5
125.02502	0.7
131.03519	4.0
132.14587	0.5
134.65137	0.5
143.03526	8.6
149.04549	3.1
161.04581	10.8
176.22310	0.5
179.05627	33.9
180.06047	1.1
182.32281	0.4
250.35513	0.5
323.09805	0.8
341.10938	38.2
342.11166	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1247
Annotation	Myzodendrone
Peak:m/z	Relative Intensity
54.11843	1.2
57.03472	1.5
58.00587	2.2
59.01384	43.1
60.36754	1.1
67.12756	1.1
69.18185	12.6
71.01387	29.7
72.99322	2.4
73.02943	3.0
83.01423	2.7
85.02954	6.3
87.00880	2.5
89.02449	23.3
95.01428	2.5
95.84065	1.1
96.96014	2.2
99.55399	1.0
101.02448	14.5
112.85990	1.0
113.02460	8.7
115.05549	2.3
115.07700	1.1
117.07109	2.2
117.98489	1.2
118.98055	3.2
119.03498	9.1
119.05041	1.4
131.05054	5.3
133.06613	24.5
143.03519	1.5
161.02567	1.3
161.04698	2.1
161.06100	7.4
163.07600	1.2
175.07654	2.2
176.06984	1.2
179.05675	4.2
179.07146	63.2
179.10762	5.3
180.07510	3.5
249.09337	1.2
300.99347	2.0
341.12451	100.0
341.15891	3.5
341.79498	1.1
342.12759	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.103
Annotation	porphyrin-5,15-diol
Peak:m/z	Relative Intensity
59.01390	5.9
67.01906	0.7
69.03465	10.6
70.57839	1.2
71.01392	4.0
72.11224	0.4
76.30992	0.4
84.02162	1.0
85.02971	0.7
86.37164	0.4
89.02440	5.1
93.03475	2.9
95.01398	0.8
98.20579	0.7
101.02442	1.4
108.02164	0.8
109.02974	4.0
109.61750	0.6
113.02450	1.7
117.03501	0.8
119.03526	1.1
119.05011	1.8
120.22343	0.4
121.02972	14.5
122.03799	5.5
123.04537	13.6
124.01610	0.8
124.04801	0.5
130.04240	0.5
131.05023	1.0
133.06589	1.0
134.06125	2.2
135.04526	3.1
137.02452	4.8
141.87567	0.5
143.05040	1.5
145.02986	2.8
147.04547	5.0
149.02438	1.7
151.00401	0.7
154.02652	1.0
158.03734	1.0
159.04536	3.5
160.05280	2.0
161.02412	0.7
161.04642	0.7
161.06049	1.8
163.03896	0.7
165.05492	1.2
171.04509	1.4
173.06075	2.2
175.04022	6.7
176.04797	30.2
177.05130	1.7
179.03516	0.5
179.05612	1.7
179.10776	0.6
180.06699	0.6
187.03955	0.6
189.05603	2.2
191.07170	0.6
197.02939	0.8
224.66962	0.4
257.00906	0.5
262.92249	0.5
263.07178	2.6
264.07938	2.5
265.08636	2.3
281.08099	0.8
283.09811	1.0
292.07443	1.5
293.08170	3.2
311.09204	5.8
312.99878	1.3
323.09219	1.4
326.11450	0.7
326.98154	0.6
341.10333	100.0
341.13718	3.5
342.10681	11.6
342.14801	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0878
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
53.36177	0.4
59.01391	4.3
71.01396	3.4
71.03709	0.9
71.65383	0.4
72.97543	3.4
72.99300	1.0
73.02956	0.4
79.75597	0.4
85.02975	1.0
87.00884	0.7
89.02465	4.4
99.00885	0.6
101.02464	1.5
107.05061	1.2
111.47868	0.4
112.27190	0.4
113.02455	1.3
116.12858	0.4
117.03519	0.5
119.03528	1.2
119.04982	0.5
121.02910	0.4
132.92291	0.4
134.03757	3.7
134.97594	0.7
135.04539	100.0
136.04869	4.0
141.09720	0.4
146.08368	0.4
151.00375	0.5
161.02475	0.9
163.04021	0.5
173.90222	0.4
179.03514	99.3
180.03909	4.5
191.03481	0.9
209.04488	0.6
232.41763	0.5
273.26059	0.4
281.10629	0.4
340.99591	1.0
341.08600	12.0
342.09137	1.0
358.89716	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00603	1.3
59.01382	19.5
61.98849	3.0
69.34033	8.6
69.34436	2.6
69.64597	1.1
71.01382	10.5
77.05299	1.2
85.02979	1.3
85.73268	1.2
89.02454	12.7
98.19935	2.8
101.02443	5.4
103.00169	1.3
107.05033	1.4
113.02495	3.0
119.03522	3.5
123.00890	2.0
133.02965	23.2
135.04544	12.4
137.02466	1.7
143.13818	1.5
149.06062	2.4
161.02458	100.0
162.02821	3.9
166.99867	2.1
177.05559	7.6
179.03525	20.2
179.05296	2.2
203.03458	2.3
221.04607	8.0
265.03561	5.7
281.06549	2.1
297.06631	1.7
305.06723	1.3
330.84924	1.2
341.08243	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	341.0881
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
52.08257	0.3
59.01387	1.7
60.64708	0.4
63.19729	0.3
64.85358	0.4
71.01411	1.4
89.02469	1.6
97.55748	0.3
101.02449	0.8
105.63909	0.4
107.05049	1.2
109.02949	0.4
113.02471	0.6
117.03571	0.4
119.03555	0.6
133.02969	3.9
134.03795	2.4
135.04544	83.6
136.04869	4.2
161.02470	12.0
162.02786	0.8
177.05698	0.4
179.03520	100.0
180.03885	5.4
188.16690	0.4
203.03500	0.4
221.04483	0.5
229.13313	0.5
341.08740	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	341.088
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
59.01386	6.1
59.35262	0.4
60.85754	0.3
70.07700	1.5
71.01397	3.6
72.99272	0.3
85.02975	0.6
89.02461	2.2
93.54882	0.3
94.88290	0.3
98.20589	0.4
101.02460	1.3
105.03518	0.3
113.02475	1.0
118.14722	0.3
119.03530	0.8
121.03039	0.3
132.02191	1.0
133.02971	27.8
134.03337	1.3
135.04536	8.2
135.05527	0.6
149.06030	0.6
161.02461	100.0
162.02794	4.9
175.03989	0.4
177.05602	0.9
178.06107	0.3
179.03511	15.4
180.03854	0.7
185.63593	0.3
192.63876	0.4
203.03497	2.3
221.04530	1.7
232.11815	0.3
248.93166	0.3
251.05653	0.9
255.39923	0.3
281.06723	1.9
341.08783	10.8
342.09186	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.088
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01368	1.4
69.90714	1.1
71.01398	0.8
71.42381	0.3
71.82041	0.3
85.02896	0.3
89.02452	0.8
89.78286	0.4
97.56847	0.3
98.19934	0.4
101.02471	0.5
107.05038	1.0
119.03487	0.5
123.00920	0.5
133.02954	1.7
134.03746	3.1
135.04543	90.8
136.04874	4.2
151.04036	0.9
161.02470	4.4
164.04865	0.3
178.02693	0.5
179.03523	100.0
180.03841	4.9
182.02124	0.5
194.05859	0.9
197.04506	1.2
253.07254	0.7
297.06073	1.6
297.81210	0.3
298.06573	0.3
341.08789	13.6
342.09100	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
58.48192	0.6
59.01387	100.0
60.01715	1.2
69.76392	1.0
69.76807	2.4
71.01386	4.6
73.02966	1.7
76.83796	0.6
80.71300	0.7
85.02981	2.3
86.02482	2.9
89.02428	0.8
96.37296	0.7
99.00884	1.5
101.02491	2.3
113.02506	1.8
116.01796	2.0
135.99181	0.6
161.04553	4.2
177.02010	2.7
191.03566	2.2
219.03040	0.6
220.98827	0.6
230.06830	1.8
279.14691	1.7
282.74988	0.8
338.96014	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66150	0.4
58.02981	2.2
59.01375	0.5
63.21627	0.4
67.67223	0.3
69.39890	3.3
77.68039	0.4
97.06583	1.2
125.52921	0.4
128.10825	10.0
130.08751	100.0
131.09109	2.8
151.11316	0.5
172.09807	1.4
338.19748	37.2
339.20032	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	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
56.88184	0.7
63.51512	0.4
70.47977	0.5
77.53712	0.4
79.63448	0.5
115.08683	0.4
163.11302	100.0
164.11636	6.1
198.09547	0.5
218.87897	0.4
278.88208	0.5
339.23291	96.1
340.23651	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	339.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53102	0.9
52.97800	1.0
59.01386	100.0
60.01715	1.4
62.41481	1.0
70.34457	1.0
70.56992	1.0
71.56843	1.5
71.71075	1.2
106.65515	1.0
119.05033	2.7
163.38928	1.1
183.01196	3.3
279.23407	7.0
279.26050	1.2
279.57874	1.1
297.21033	2.2
297.24359	41.9
298.24686	4.4
299.99130	2.2
326.00067	1.2
338.95490	1.4
339.12460	1.9
339.16315	1.3
339.19958	4.7
339.25433	13.3
340.25723	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00590	0.8
59.01387	100.0
60.01728	1.3
68.58754	0.8
68.99844	0.7
71.01393	15.6
71.11054	1.2
72.99328	1.5
73.02970	0.9
74.99083	1.0
85.02967	2.7
89.02460	18.8
95.01426	0.8
96.96039	2.9
99.00895	1.0
101.02465	11.1
111.00954	0.8
111.19447	0.7
113.02455	5.7
119.03526	7.4
120.99671	1.0
125.02528	0.9
143.03503	0.8
149.02440	0.8
157.08772	2.8
161.04631	1.9
175.06026	0.7
175.09840	1.7
179.05713	2.4
193.01437	1.5
200.03487	0.8
205.05141	1.3
249.04054	0.9
293.03073	0.9
314.83765	0.9
319.13318	0.7
337.02133	0.9
337.08173	2.4
337.15054	16.2
338.15515	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	1.4
59.01386	100.0
60.01720	1.2
70.13861	2.9
71.01007	1.8
71.01390	26.0
72.99319	2.6
73.02950	1.8
83.01386	1.4
85.02938	5.0
87.00897	1.1
89.02454	26.9
95.01408	1.5
99.00851	1.2
101.02460	16.7
104.80960	0.9
113.02472	9.5
116.94705	1.0
119.03518	12.0
123.00945	1.2
124.13226	1.2
129.78284	1.0
143.03517	1.7
149.04590	1.3
157.08693	5.0
161.04555	3.0
179.05585	2.2
190.02473	1.0
193.01334	1.3
197.23257	1.0
205.05042	1.6
231.11186	1.0
249.04144	1.8
271.56802	0.9
337.05927	1.5
337.15033	35.5
338.15585	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	337.1062
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43886	2.6
54.41279	2.2
58.00604	2.5
59.01387	100.0
59.72023	2.7
60.07011	2.3
71.01385	25.5
71.32565	3.6
71.32899	4.3
72.99305	4.1
73.02952	4.3
74.99095	2.3
75.00871	3.0
85.02952	9.5
89.02455	16.9
95.01417	2.8
95.05099	2.3
96.96001	13.7
97.02975	2.7
97.06586	2.9
101.02473	17.0
101.52821	3.0
111.00975	4.1
113.02448	12.4
117.03497	2.6
119.03501	8.7
119.04992	4.3
120.99684	4.0
125.26012	2.3
133.02948	5.7
134.06166	3.0
136.05655	2.3
136.07727	6.2
136.99178	4.2
145.03091	3.5
149.06055	3.2
157.08722	8.0
161.02438	10.1
161.04558	6.1
161.06044	4.8
162.03207	3.0
163.03999	7.3
164.07179	9.0
169.01390	3.6
175.04102	3.3
175.09729	7.5
176.03496	3.1
177.01953	3.8
177.05577	3.7
179.05501	3.0
187.04027	5.0
189.01912	9.0
190.02672	6.2
191.03542	4.3
193.01489	4.9
205.05083	9.0
217.01405	3.8
220.09840	25.1
221.04543	2.8
242.64323	3.4
249.04114	14.8
257.10278	2.6
261.00366	9.7
263.02094	3.2
265.03745	3.1
293.03015	3.2
293.06393	4.5
337.01849	8.1
337.06076	4.1
337.07452	4.9
337.15024	44.3
358.35046	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	337.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73298	0.9
55.01880	1.5
55.08628	0.8
57.03446	1.5
58.00595	3.9
59.01385	93.0
61.57811	0.8
63.79202	0.8
66.91943	1.1
71.01390	53.2
71.05042	0.9
72.01732	1.1
72.99322	4.0
73.02937	0.9
74.34678	0.8
83.01392	2.6
85.02971	10.2
85.19719	0.7
85.41864	1.0
87.00892	2.2
89.02451	52.6
95.01375	3.2
101.02454	33.6
102.02785	1.1
113.02454	19.0
113.09728	1.4
119.03512	27.8
120.03854	1.1
125.02450	0.9
131.03508	1.9
140.02551	0.8
143.03516	3.6
149.04633	2.2
149.06117	1.0
157.08788	1.1
161.04587	2.4
175.09766	1.9
179.05647	4.5
235.02571	1.1
263.01865	1.7
293.06708	1.9
337.15057	100.0
338.15393	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	337.1063
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.5
59.01387	100.0
71.01395	27.7
72.99317	3.4
73.02962	4.4
74.99110	8.2
85.02965	7.7
87.00859	2.7
89.02450	17.5
95.01376	3.0
96.96023	10.0
99.00899	6.7
101.02461	15.7
105.03506	2.4
109.76102	2.2
113.02486	9.9
117.71816	2.5
119.03511	6.8
119.05058	4.2
120.99689	3.7
125.02412	6.2
127.57072	2.3
129.01956	2.7
133.02968	3.3
136.07698	5.8
136.99072	3.1
145.02980	4.5
148.32307	2.2
157.08699	7.4
161.02515	11.2
161.06052	4.8
162.03328	2.7
163.04022	8.1
164.07178	13.1
175.04051	3.9
175.09781	4.9
176.03549	2.7
177.01964	6.0
177.05646	3.5
189.01964	8.4
190.02710	10.2
191.03581	4.5
193.01494	6.7
203.03381	2.8
205.05087	14.9
206.02184	4.5
207.02835	3.2
219.02763	2.8
220.09813	28.5
221.04547	4.8
247.99400	2.4
249.04085	12.8
261.00488	7.8
263.02057	3.2
265.03534	2.9
270.32919	2.5
293.03171	4.4
293.06613	3.9
337.01971	9.4
337.05774	4.6
337.10626	4.6
337.14996	48.2
338.08984	3.9
338.15555	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	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
50.96116	0.3
55.01876	0.4
57.03455	0.6
59.01387	1.9
67.54599	0.4
68.99814	3.1
69.03459	1.0
69.20887	3.8
69.21255	0.5
71.01384	3.2
72.99328	0.4
73.02947	1.3
75.00870	0.8
78.95912	1.9
83.01397	1.7
85.02959	6.2
87.00890	2.3
87.54754	0.4
89.02457	1.2
95.01395	1.5
95.41788	0.4
96.59432	0.3
96.96973	2.7
96.99301	0.5
97.02956	0.7
99.00882	4.7
101.02455	1.6
111.00886	1.7
113.02459	5.6
113.99599	17.8
115.00407	7.1
119.03524	0.6
127.00387	2.2
129.01961	1.6
129.31949	0.4
139.00360	0.7
141.01962	0.6
141.36015	0.4
154.91565	0.7
157.01437	5.1
169.01433	1.5
174.01723	15.1
175.02391	1.4
203.04897	0.3
261.47678	0.4
277.05670	17.3
278.05957	0.9
337.07797	100.0
338.08105	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	337.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51097	0.5
56.40366	0.4
57.03437	0.4
59.01389	2.5
67.01930	0.5
68.99828	2.8
69.03457	0.8
70.67429	1.3
71.01376	3.1
73.02953	1.9
74.42285	0.4
75.00892	1.3
78.95904	0.9
83.01388	1.5
85.02959	6.5
87.00859	2.1
89.02419	0.9
93.03490	0.5
95.01399	1.9
96.99366	0.5
99.00894	6.2
101.02459	2.0
104.61587	0.5
105.03436	0.7
107.05018	1.0
111.00874	2.9
112.98848	0.6
113.02451	6.7
113.99602	20.4
114.00412	1.0
115.00399	8.6
117.01884	0.4
117.03459	0.6
119.04986	1.0
121.02965	0.9
121.06589	1.2
123.04569	0.9
125.02466	0.5
127.00397	3.2
129.01990	2.9
131.05019	0.5
133.06631	3.1
135.03651	0.5
135.04538	2.8
137.02463	1.1
139.00410	1.1
141.02032	0.7
145.02942	0.8
149.02451	1.8
149.06094	1.3
151.04041	2.8
151.56821	0.4
157.01422	4.9
159.04523	2.6
160.05186	0.7
161.06088	5.0
162.03227	1.1
163.04034	7.6
165.01836	0.6
169.01442	1.8
174.01714	18.7
175.02460	1.7
175.03841	0.5
177.05608	2.6
187.04019	2.9
190.02707	1.7
191.03517	0.8
193.01428	10.1
203.03513	1.0
205.05092	11.0
206.05449	0.7
222.92371	0.4
231.02815	0.5
237.00494	0.7
249.04068	8.1
250.04535	0.6
277.05670	20.3
278.06155	1.2
291.01501	0.6
293.03217	1.1
337.02115	7.1
337.07794	100.0
338.02191	0.6
338.08118	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	336.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99068	0.8
53.10518	0.7
53.79536	0.7
59.01377	2.7
71.01406	1.9
98.19849	1.5
108.02180	6.5
113.02460	1.0
120.99628	1.0
121.30746	0.7
123.00858	0.8
138.01985	100.0
139.02359	2.8
149.06110	1.4
151.28510	0.8
175.04041	0.8
190.02643	0.9
197.60187	0.7
237.04070	0.8
249.04060	0.9
268.82391	0.9
336.13736	0.8
337.15210	0.8
337.85843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20922	3.3
57.16144	3.8
59.01385	100.0
68.99828	5.4
70.60060	11.0
71.01395	24.6
72.99323	4.6
73.02971	4.6
74.99105	9.3
78.95917	4.6
81.83397	3.2
83.01391	5.9
85.02972	17.1
87.00875	9.8
87.91222	3.4
88.94691	3.3
89.02451	19.3
93.03467	13.9
95.01377	5.9
96.96032	9.0
99.00895	13.8
101.02446	15.6
109.02946	4.2
111.00887	8.0
113.02476	21.0
113.06081	32.8
113.99600	18.0
115.00431	6.2
115.04010	5.5
119.03533	6.1
119.05042	5.7
120.99602	3.7
121.02984	5.2
121.06602	7.6
123.04525	6.5
129.01944	3.8
131.05032	4.8
133.06589	13.8
135.04546	6.6
136.99142	7.4
137.02467	18.5
139.04094	5.5
145.03004	7.9
149.02422	7.4
149.06094	5.3
151.04022	14.6
157.01389	4.6
157.05066	16.8
159.04498	8.3
161.04640	6.3
161.06075	15.9
162.03275	8.3
163.04025	32.4
165.01970	5.0
171.04521	4.0
174.01761	19.9
175.02400	3.7
175.06232	8.1
175.09718	6.4
177.01993	5.0
177.05615	10.5
185.08354	4.0
187.04008	11.6
187.07675	7.8
190.02734	11.2
191.03474	6.6
193.01462	36.0
203.03496	11.0
205.05042	46.6
206.05498	4.4
208.22160	3.6
221.04556	6.8
231.03006	8.5
241.79709	3.4
249.04019	38.8
263.01981	3.8
277.05734	20.5
277.08609	3.3
277.12860	4.5
293.02982	13.8
293.06216	3.5
319.04443	5.7
337.02594	22.7
337.07901	96.2
337.11255	8.4
337.14890	11.1
338.08197	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	335.208
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	6.2
57.03461	5.0
58.00595	2.5
59.01387	65.2
60.01699	1.0
69.22438	8.0
71.01389	100.0
71.05041	0.8
72.01735	2.3
72.99314	5.1
73.02957	24.3
75.00858	1.6
82.36366	0.7
83.01397	10.6
85.02962	38.5
87.00890	5.0
89.00389	0.8
89.02457	28.1
91.01903	1.6
93.03510	1.1
95.01412	7.8
99.00884	10.5
101.02457	71.9
102.02821	0.9
108.35406	0.9
111.00863	1.6
113.02462	37.8
114.02779	0.9
119.01399	3.5
119.03517	11.7
125.02460	2.5
127.11277	1.0
129.01971	2.1
142.25053	0.9
142.46455	0.8
143.03523	3.1
147.00867	4.3
149.99617	1.1
159.00974	1.0
159.03018	8.0
161.04576	34.4
162.04880	1.0
173.15479	2.9
175.00392	4.1
179.05644	0.9
190.99846	1.8
196.32167	0.8
202.99901	1.7
203.03447	0.9
205.03479	1.3
218.99342	1.9
232.13741	0.9
236.22903	0.9
246.98878	1.0
257.76132	0.8
262.98413	0.9
273.00479	2.3
303.01660	1.5
316.98505	2.7
334.96771	1.2
335.03632	0.9
335.20731	16.1
336.21411	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73417	0.9
54.22002	0.8
55.01886	8.0
57.03456	4.9
58.00600	2.1
59.01387	59.9
65.00308	1.3
69.03454	1.0
70.58528	1.9
71.01390	100.0
71.05025	1.3
72.01717	2.0
72.99316	4.5
73.02954	29.9
75.00873	2.5
81.03526	0.9
83.01402	17.2
83.45023	0.8
85.02964	48.1
86.03293	0.8
87.00896	3.8
89.02454	24.8
90.12863	0.7
91.01917	2.6
92.87457	0.9
93.03468	2.1
95.01397	7.4
97.02953	2.4
99.00898	13.8
101.02456	88.2
102.02806	1.5
111.00906	2.7
113.02466	38.1
114.02818	1.6
119.01402	3.6
119.03512	7.5
125.02435	2.3
127.11304	2.0
129.01971	2.0
131.03508	0.8
138.25946	0.8
140.57097	0.8
143.03516	3.6
147.00899	3.2
159.03014	7.2
161.04576	38.6
173.06082	1.5
173.15492	5.1
175.00386	3.6
190.99838	2.5
202.99895	2.8
218.99309	2.4
243.85129	1.0
246.98866	1.5
247.02463	1.3
247.13782	2.2
273.00571	1.2
316.98669	3.6
334.96744	2.1
335.15067	2.7
335.22375	46.9
336.22705	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	335.0411
Annotation	Dantrolene sodium anhydrous
Peak:m/z	Relative Intensity
50.35281	0.6
57.03430	0.5
59.01395	4.5
59.89301	0.5
65.00336	1.1
69.46224	3.5
71.01390	1.4
88.07433	0.5
108.02184	0.7
113.06112	1.9
117.03463	0.7
131.01372	1.3
131.05031	0.6
132.02133	1.0
133.03014	0.6
143.01387	1.9
145.02979	1.2
147.04523	1.0
148.01691	1.4
159.00876	2.9
159.04630	1.0
160.01639	2.1
161.02464	2.1
163.00394	1.3
163.04028	1.6
171.00867	4.6
172.05252	2.6
175.04036	2.2
176.01155	1.9
187.00417	5.7
187.04073	1.8
188.01099	3.2
189.01915	2.3
190.99864	2.9
191.03474	1.4
196.28789	0.5
199.00453	0.9
203.03517	2.1
204.00574	0.6
205.01401	0.8
214.98030	1.0
214.99881	7.8
215.07132	0.6
216.00647	11.8
217.01315	2.5
218.99387	0.6
219.03040	3.0
229.01460	1.3
230.02289	0.6
231.02974	2.0
232.00153	2.5
233.00853	2.9
233.98076	3.5
242.99358	13.7
243.01752	1.0
244.00078	6.9
245.00813	1.5
247.02559	4.0
248.03242	1.6
259.02505	0.7
259.99643	10.4
261.00403	7.9
268.29272	0.6
270.98859	12.4
271.99539	4.2
273.00400	0.9
275.01999	21.2
276.02634	3.4
287.99014	0.8
291.05099	2.4
303.01480	15.9
304.02051	3.0
307.04584	4.7
316.98404	1.2
335.04102	100.0
336.04501	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	333.0597
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80759	0.4
69.33059	2.9
69.33472	1.0
70.94633	0.5
75.19321	0.5
77.38505	0.4
77.60120	0.4
78.95913	100.0
96.96973	18.5
98.27573	0.4
104.79121	0.5
125.86885	0.4
150.98027	1.5
152.99603	78.7
153.99919	1.0
171.00641	9.5
223.00087	0.7
241.01207	37.7
242.01552	1.2
257.89801	0.4
259.02209	2.6
333.05948	83.2
334.06372	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	333.0957
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	17.7
69.46069	4.3
71.01392	19.3
71.56291	5.1
72.89784	4.8
78.95908	89.4
81.06664	4.1
82.03029	7.7
85.02960	8.3
89.02449	15.3
96.96952	26.4
98.02446	10.9
106.38198	4.2
107.01409	11.8
113.02463	8.4
115.05161	11.6
123.00895	14.1
125.02441	32.9
126.02787	6.5
127.00328	6.4
127.02939	10.6
146.00752	4.5
147.94727	4.6
152.99631	63.0
153.00858	8.5
169.01414	52.6
170.01793	13.8
171.01875	30.6
175.02492	6.6
181.06180	11.3
197.05717	11.3
211.02470	5.6
213.02945	12.2
241.01178	29.7
273.05240	7.5
297.11990	18.6
310.10880	5.8
333.06088	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01933	0.6
67.49464	0.5
69.58645	1.3
69.59054	2.5
71.01385	0.6
92.05064	2.3
94.06638	4.7
98.20609	1.3
104.05086	2.8
105.03451	2.8
106.02987	0.7
106.06641	11.5
107.03782	0.6
107.60885	0.6
108.04564	2.5
120.04565	5.7
121.05375	0.9
122.06139	14.6
122.06887	0.6
123.03245	2.0
123.06417	0.6
131.03773	1.1
132.04581	8.7
133.04863	0.7
136.04037	0.6
138.05621	23.3
139.05971	0.9
140.07211	0.7
150.05663	3.2
159.00839	1.3
166.05185	0.6
174.12862	0.8
187.00352	1.0
189.07980	1.3
202.99843	0.6
205.01442	0.7
213.06767	0.9
214.99892	1.7
215.11928	1.7
217.07443	1.6
230.99355	1.7
231.09004	0.6
233.00972	0.6
241.09763	3.6
243.11426	1.5
249.25070	0.7
261.00388	0.8
271.10880	1.2
286.98447	3.3
289.11966	100.0
290.12292	7.5
314.97845	12.1
315.97900	0.8
316.61230	0.6
332.98969	1.2
333.10913	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	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
58.52266	0.5
58.67465	0.5
59.01387	1.2
71.01382	2.2
77.20747	0.4
82.00636	0.6
85.02983	2.7
92.27171	0.4
98.20628	1.7
101.02425	1.2
110.00109	7.5
113.02466	2.7
118.94683	0.5
122.88728	0.4
123.00871	1.2
124.01670	1.4
125.02460	11.2
131.03453	0.7
136.06471	0.5
137.02509	0.4
137.99591	8.6
139.00389	2.7
140.01237	0.5
151.00357	1.4
151.04002	0.6
152.01152	2.6
153.01953	100.0
154.02629	4.5
155.03491	2.3
161.04605	1.0
167.02168	0.8
167.03511	10.6
168.04297	50.3
169.01439	12.0
169.05084	9.6
170.21017	0.4
176.01158	0.6
179.03496	0.9
191.03505	0.8
196.03790	0.7
209.04568	1.1
211.02531	0.9
263.78647	0.4
271.04663	1.8
317.23782	0.5
331.06683	4.0
331.10416	3.0
335.54190	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.9888
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86638	0.7
65.00333	0.9
68.45557	0.5
70.03992	0.6
71.01371	0.6
71.02483	1.6
75.37723	0.5
98.20637	0.7
105.03479	0.9
121.02969	1.4
131.01428	3.0
133.02959	2.4
143.01395	0.8
145.02968	0.7
147.00900	1.3
149.02432	0.9
159.00914	9.0
161.02463	4.8
173.02493	0.9
175.00447	3.0
177.01955	5.1
187.00388	6.9
189.01967	3.1
202.99875	4.7
205.01448	3.4
214.99893	16.1
216.00220	1.1
217.01466	1.8
218.99387	0.8
230.99362	15.5
231.99689	0.8
233.00934	3.6
242.99417	6.9
245.00891	1.2
258.98819	2.5
261.00436	10.4
270.98865	1.5
286.98380	32.8
287.01596	1.6
287.98694	1.9
288.99997	6.1
289.12027	3.7
314.97858	100.0
315.98212	7.4
332.98941	8.8
333.15387	1.0
333.19159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.47043	0.9
59.01384	19.9
71.01396	8.7
71.25834	1.6
72.99313	1.1
79.01905	1.3
81.81166	0.7
85.02955	1.8
89.02444	6.7
95.01393	2.7
97.02958	0.9
99.99032	0.8
101.02469	5.0
107.01411	3.6
113.02446	2.3
119.03506	1.9
123.00890	14.9
123.25333	0.8
124.01691	1.4
125.02464	27.9
139.00417	4.3
139.01297	0.7
141.01929	1.6
151.00385	15.5
153.01892	0.9
165.01874	0.9
166.99904	0.7
168.00612	4.3
169.01450	55.1
170.01781	1.9
181.01559	1.0
187.64198	0.8
193.01477	1.2
211.02490	11.9
214.37209	0.7
241.03482	1.3
271.04605	13.1
331.06729	100.0
332.07062	8.6
349.66556	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.0
58.00592	0.7
59.01387	28.0
63.26407	0.6
67.01870	1.3
69.03462	1.1
70.51030	1.3
70.51403	1.4
71.01390	15.4
72.76338	0.6
72.99306	1.0
79.01888	1.6
81.03501	1.1
83.01421	1.1
84.42695	0.7
85.02950	4.3
87.00864	0.7
87.53832	0.6
88.03971	0.6
89.02447	7.5
95.01389	3.5
97.02950	1.7
101.02470	7.3
107.01398	8.1
111.00898	1.9
113.02455	5.2
117.09093	0.7
119.03490	2.2
123.00903	20.2
124.01665	2.4
125.02460	52.9
126.02821	1.4
127.00404	0.7
137.02483	0.7
139.00401	5.5
139.03937	1.0
140.01163	1.7
141.01929	2.0
151.00388	14.7
153.01981	1.0
165.01955	1.1
167.03529	2.6
168.00681	6.8
169.01442	80.1
170.01761	2.9
174.32225	0.7
181.01530	0.9
183.03000	1.3
193.01451	2.2
201.88708	0.6
211.02493	16.0
211.04404	1.2
212.02734	1.1
241.03583	1.3
271.04626	13.7
271.07486	0.8
272.05032	1.0
313.05768	1.0
331.06729	100.0
332.07056	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	331.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14411	0.6
55.01915	0.6
59.01396	4.6
71.01402	4.6
71.57390	0.7
73.02962	1.3
80.37662	0.5
82.64940	0.6
85.02977	1.1
85.32039	0.6
89.00378	0.9
89.02475	1.8
99.00951	0.8
101.02468	3.2
104.99913	0.6
108.02207	0.7
113.02491	1.7
116.02719	1.0
120.99704	0.9
125.02486	2.2
131.01468	0.8
132.02213	2.6
143.01448	0.8
144.99359	0.6
148.01688	1.4
160.01630	4.9
161.04591	1.9
166.50105	0.7
169.01469	2.9
172.01700	2.2
176.01181	1.1
184.98827	3.4
187.00327	0.8
188.01118	4.4
200.01212	2.5
200.98267	5.2
202.99933	1.3
204.00722	2.5
209.11838	0.7
210.65585	0.6
211.02547	1.8
213.99054	0.8
214.99855	2.3
216.00638	9.0
228.97752	3.8
230.99385	1.9
231.03015	9.3
232.00163	4.3
241.98615	0.7
242.99382	2.7
243.10574	1.2
244.00121	3.9
256.97290	15.7
257.97659	0.8
258.98944	1.1
259.02441	1.2
259.99652	2.5
270.98926	1.6
271.04669	1.7
271.99646	15.3
273.00134	0.8
286.98358	3.4
287.02032	9.5
287.99240	1.5
298.98462	2.2
314.97821	4.9
315.98621	100.0
316.98917	7.7
331.00970	79.2
331.07086	2.3
331.12070	1.9
332.01370	6.9
351.28882	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	6-O-galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
65.72710	0.3
69.03471	1.4
69.39633	2.1
79.01923	0.6
81.03469	0.8
89.38827	0.3
95.01385	0.5
97.02956	1.2
107.01390	0.4
114.47394	0.3
124.01683	0.7
125.02464	59.3
126.02806	2.4
139.00461	0.6
151.00330	0.3
153.01939	2.2
154.30661	0.3
167.03542	0.3
168.00650	1.0
168.04312	1.5
169.01453	100.0
170.01776	3.3
211.02403	0.4
271.04672	0.3
273.11554	0.3
315.74936	0.3
331.06674	4.9
332.06595	0.3
353.81372	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03447	1.2
59.01387	3.7
70.30100	1.5
71.05029	0.4
83.05021	1.0
84.02196	0.5
97.02986	0.4
98.20461	0.5
99.08167	6.8
99.24199	0.4
102.74487	0.4
123.53574	0.5
125.09715	1.0
127.11307	4.4
137.09727	0.7
139.11292	6.6
141.37398	0.4
143.63258	0.4
151.00305	0.6
155.10748	0.5
155.14406	1.2
157.12372	0.6
165.12822	0.6
167.14401	1.7
171.10294	16.1
172.10637	0.8
183.13927	4.9
193.12329	1.2
209.11897	1.5
210.52544	0.4
211.13426	29.6
212.13792	2.0
229.14474	14.7
230.14877	0.9
270.98880	2.6
285.00311	1.0
293.21390	0.7
298.98444	2.4
311.22299	0.9
312.99860	1.6
314.00409	2.4
328.99469	0.6
329.03094	4.2
329.23364	100.0
330.03284	0.6
330.19998	0.7
330.23706	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	330.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99841	0.2
69.61103	1.1
73.75158	0.1
83.35712	0.1
92.70105	0.2
109.02960	0.5
121.02933	0.3
124.01631	0.3
137.02455	3.2
138.03244	6.9
167.02242	2.2
168.03032	100.0
169.03387	4.2
199.42854	0.2
243.11446	0.2
296.15302	0.2
330.08325	11.6
331.08725	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23469	0.4
62.79597	0.4
65.00301	0.5
70.07158	1.9
89.03927	0.5
91.05499	0.6
98.28825	0.4
98.85394	0.4
99.99711	0.4
103.05503	0.7
115.05526	0.9
115.59304	0.4
119.05013	0.8
131.05020	3.3
143.04991	1.0
147.04543	4.0
148.32187	0.4
148.98743	0.7
149.33928	0.4
157.02908	0.7
158.03716	0.7
159.04517	8.3
161.02492	0.6
169.02936	0.9
171.04523	0.9
172.01537	0.6
173.02411	0.7
174.03156	0.8
175.04005	5.2
177.01851	0.5
177.05452	0.5
185.02376	1.7
187.02533	0.6
187.04028	7.0
189.01950	0.7
193.05063	0.6
197.02551	1.0
200.46446	0.4
201.01913	1.0
202.02721	2.1
203.03516	26.4
204.03812	1.0
211.02518	0.7
213.01971	3.3
214.02713	0.7
215.03523	3.5
216.00616	2.2
217.01457	0.5
229.01469	0.5
230.02275	1.1
231.03003	19.7
241.01463	2.6
242.02194	1.6
243.03020	2.6
244.00169	2.1
257.00839	0.6
258.01648	3.0
259.02490	28.2
260.02798	1.6
268.33633	0.6
269.00830	0.7
270.01672	0.5
271.04367	0.5
287.01996	100.0
288.02356	7.0
303.01389	0.7
331.01004	21.2
332.01425	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.42769	1.5
52.01436	1.6
53.37659	1.5
55.01884	1.4
57.03440	2.1
58.00594	3.9
59.01386	97.2
62.59465	1.3
67.01917	1.9
70.01563	6.9
71.01393	48.3
72.99319	3.8
73.02958	2.5
77.28014	1.3
83.01405	2.4
85.02971	10.8
87.00884	2.8
89.02454	44.3
89.73022	1.7
95.01391	8.0
99.00832	1.6
101.02460	28.6
107.01393	2.7
108.02184	5.5
109.02960	3.3
111.00886	2.3
113.02464	16.5
119.03521	14.0
121.02969	3.0
122.03753	2.0
123.00892	6.4
123.04547	15.7
125.02472	2.5
131.07092	1.7
136.01649	3.0
139.00397	1.6
149.99963	2.9
150.03290	1.8
151.00438	7.3
152.01192	14.8
153.01959	3.3
153.05537	2.1
161.04585	1.6
165.01932	1.7
166.02710	7.7
167.03508	91.9
168.03860	3.8
169.01402	1.6
176.52933	1.5
179.05637	1.8
179.28400	1.4
181.05119	11.7
194.02219	4.6
197.04590	4.6
209.04582	54.7
210.04948	2.3
239.05722	3.2
269.06747	9.6
293.12247	3.2
329.08807	100.0
330.09000	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	329.0305
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
57.98766	0.4
59.01375	1.0
63.61607	0.4
70.07492	1.8
93.92990	0.4
101.75956	0.4
114.62909	0.4
131.60451	0.4
145.65163	0.4
149.02458	1.0
156.43724	0.4
173.02441	0.5
174.03195	1.0
200.01131	0.9
202.02696	1.2
213.01941	1.2
214.02583	0.5
214.99889	1.4
228.00600	0.6
229.01457	0.5
230.02153	0.6
241.01244	0.5
242.02118	1.0
242.99350	5.7
254.99509	0.6
258.01669	4.1
270.98856	52.9
271.99207	4.2
273.23392	0.4
282.98920	1.7
283.99686	6.5
285.00415	20.4
286.01190	10.3
297.00479	1.7
298.98349	59.5
299.98767	4.8
310.98352	1.4
312.99921	42.0
314.00681	55.6
315.00995	5.3
329.03046	100.0
330.03320	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.36800	0.3
54.77323	0.3
57.03454	0.5
59.01389	4.8
65.00324	0.6
69.67119	1.9
71.01391	1.0
81.03474	4.8
83.01387	2.6
85.02962	0.4
92.77797	0.3
93.03478	0.4
95.01410	0.5
95.05026	1.3
97.02950	0.6
107.01385	0.6
113.02467	0.4
123.00916	0.7
123.04544	34.8
124.04880	1.7
125.02468	5.7
131.01401	0.8
135.04515	0.6
137.02446	1.4
139.04018	0.6
149.02481	1.2
151.00333	1.7
151.04051	1.5
161.04553	0.4
163.04012	1.6
166.02776	0.7
167.03513	100.0
168.03889	4.2
175.00406	1.5
179.03514	1.1
181.05067	2.7
182.05638	0.3
186.28238	0.3
191.03522	22.4
192.03911	1.2
206.02135	0.4
209.04575	9.1
210.04886	0.6
221.04584	3.0
233.04443	0.5
241.09071	0.9
241.12711	0.5
269.06598	0.7
329.08783	3.9
329.16083	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0307
Annotation	(3Z)-Obtusenyne
Peak:m/z	Relative Intensity
59.01385	6.2
65.00322	0.9
65.84228	0.6
66.29546	0.6
70.02917	0.6
71.57397	0.7
73.40807	0.6
95.01349	1.3
96.96542	0.6
103.16870	0.5
123.00927	1.2
128.91191	0.6
151.00439	1.1
167.10764	0.7
169.86739	0.6
187.00407	1.3
214.99870	2.3
226.99857	0.9
242.99356	11.4
252.48964	0.6
258.01746	1.0
260.36246	0.6
270.98865	89.9
271.99213	6.4
283.99615	1.4
285.00369	2.4
285.03485	0.7
286.01193	1.3
289.14081	0.6
298.98352	89.0
299.98709	6.9
301.00247	0.9
312.99985	3.7
314.00717	100.0
315.01031	9.4
328.99637	3.5
329.03040	69.3
329.23419	0.8
330.03223	5.6
331.10226	0.7
334.35745	0.6
335.20129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2545
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
55.43022	0.9
57.03450	1.2
59.36586	0.8
65.88142	1.0
71.46227	1.0
80.31341	0.8
87.80756	0.8
91.57338	0.9
96.52687	0.8
103.05655	0.8
110.66415	0.8
119.94696	0.9
138.24400	0.9
166.85820	1.1
185.00813	1.4
199.02312	1.4
245.34702	0.9
265.25378	67.2
266.25732	6.5
283.26416	1.8
309.24368	21.8
310.24786	2.9
327.18396	9.6
327.25418	100.0
328.18457	1.1
328.25696	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	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
59.01386	100.0
60.01693	1.1
65.00279	1.0
67.42796	0.9
70.35112	1.0
70.35464	3.3
72.88131	0.9
74.19211	0.9
74.92699	0.9
84.26155	0.9
148.21379	0.9
183.25659	1.2
185.00670	1.1
195.07849	1.1
300.07599	1.1
327.18375	2.9
327.29068	67.8
328.29388	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	329.022
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76469	0.5
59.01388	48.2
60.01720	0.6
66.30020	0.5
70.55998	0.7
70.56326	1.1
71.01408	0.7
72.24931	0.5
74.99372	0.7
79.34537	0.4
83.21744	0.5
84.95129	1.0
87.00899	1.2
101.00988	0.6
115.02557	1.9
117.00468	9.2
125.00953	0.9
125.02472	0.7
126.98892	1.3
143.02054	2.8
144.99913	0.7
157.03578	1.1
159.01515	65.4
160.01628	4.5
168.99937	4.6
170.97882	11.6
171.01457	1.0
187.01006	100.0
188.00696	11.7
190.97333	0.8
201.02577	15.0
201.04349	1.1
202.02824	1.0
232.98331	2.1
239.29321	0.7
241.00464	1.3
258.55597	0.5
269.00125	0.6
274.99423	6.6
287.01068	1.0
292.50229	0.6
311.01117	1.4
328.96799	1.5
329.02094	2.2
330.02341	1.0
347.32907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2179
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.55380	0.4
57.03450	2.4
58.00590	0.7
59.01377	0.8
65.65353	0.5
69.03455	2.7
69.23369	4.5
71.01374	1.2
83.05032	1.0
85.02956	9.2
95.05050	1.4
97.02948	1.3
97.06608	3.7
104.77017	0.4
104.77725	0.4
110.03774	0.5
119.08647	0.5
123.08109	0.7
125.09726	1.6
127.11332	2.3
127.12112	0.4
137.09721	2.8
155.10803	1.3
155.14418	0.7
159.46986	0.5
165.12819	1.2
167.14488	0.6
171.10283	23.1
172.10551	0.7
175.11343	0.5
177.12790	1.1
183.13904	3.8
185.11856	1.6
193.12317	1.6
197.11812	1.0
201.11275	0.8
203.10765	0.8
209.11832	1.8
211.13399	19.5
212.13782	1.9
221.11790	2.6
229.14452	14.5
230.14801	0.8
239.12881	2.8
253.57646	0.5
291.19684	4.4
297.97678	0.7
309.20801	2.5
311.99203	0.8
312.99704	0.7
327.01486	0.7
327.21777	100.0
328.22107	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
54.78473	0.4
57.03453	1.5
59.01383	0.9
69.03466	1.1
69.30206	3.3
69.30614	0.9
71.01396	1.6
83.05034	1.4
84.02140	0.7
85.02962	4.4
88.04063	1.5
93.03457	0.6
95.05034	1.4
97.03884	0.5
97.06602	5.9
110.03726	0.7
122.46938	0.6
122.56098	0.4
123.04626	0.4
125.09734	1.3
127.11305	1.8
130.08490	0.5
137.09735	0.6
155.10826	0.9
165.12846	1.5
167.14471	1.1
168.45496	0.4
171.10295	7.8
172.10573	0.5
177.12842	1.8
181.12311	0.5
183.13937	5.4
183.36009	0.5
185.11852	2.0
193.12428	2.3
197.11877	1.4
203.10799	0.6
209.11888	2.2
211.13420	27.0
212.13718	1.7
221.11891	3.9
227.12967	0.5
229.14474	17.8
230.14767	0.8
239.12930	3.1
247.20659	1.0
291.19751	4.7
292.20380	0.6
309.20728	1.7
327.21793	100.0
328.17651	1.6
328.22043	9.5
328.25894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16240	0.7
50.31235	0.7
53.10483	0.8
57.03429	0.9
58.00584	1.4
59.01384	39.8
68.24333	0.7
69.54125	1.6
69.54533	3.3
71.01389	20.9
72.99315	5.0
73.02945	1.0
78.95914	6.1
83.01373	2.1
85.02957	7.5
87.00881	1.2
89.01939	1.3
89.02460	17.1
95.01412	4.1
96.96015	0.9
98.20624	1.8
98.75158	0.9
101.02456	11.9
103.05524	2.7
107.01376	2.1
111.00865	1.7
113.02449	9.7
117.03463	2.8
119.03535	6.9
119.05035	14.1
120.05388	0.7
123.00863	2.6
125.02464	8.0
139.00354	1.8
140.01137	2.9
143.03493	0.8
145.02963	10.4
146.03288	1.4
147.04538	100.0
148.04858	4.1
149.04337	0.8
163.04012	15.2
164.04272	0.9
165.05588	15.4
168.00601	3.3
169.01431	20.0
170.01825	1.1
177.01894	1.1
181.07190	1.3
182.33957	0.8
183.02951	3.3
191.03514	4.8
209.04552	8.7
216.18367	0.8
327.07172	8.5
327.10806	53.8
328.11090	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Paeonoside
Peak:m/z	Relative Intensity
51.88044	0.8
54.70790	0.7
59.01387	17.4
66.87227	0.7
67.46315	0.7
69.91227	2.8
71.01382	3.2
76.12080	0.7
85.02987	0.9
87.00912	0.9
89.02459	1.7
89.35802	0.8
93.03480	4.7
101.02421	1.5
106.37016	0.9
119.05037	2.7
120.05405	1.4
121.06592	8.0
122.15145	0.8
129.88980	0.9
138.88225	0.8
145.02948	1.3
165.05585	100.0
166.05991	4.8
169.01457	1.1
209.04626	0.8
326.98016	1.0
327.10864	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	327.0935
Annotation	Masuda's compound V
Peak:m/z	Relative Intensity
51.33912	0.9
55.01894	1.4
57.03446	0.9
58.00592	2.3
59.01387	47.8
71.01389	29.2
72.99309	2.1
73.02955	24.5
75.00876	4.5
78.95920	5.2
83.01397	1.0
85.02964	5.9
87.00885	63.9
87.79679	0.9
88.01167	0.8
89.02454	27.7
95.01389	1.4
96.96973	5.3
99.00900	2.8
101.02454	15.3
105.01944	2.5
113.02461	9.7
119.03510	11.2
129.01967	1.6
131.03511	1.6
137.18462	0.9
143.03499	1.4
147.02997	2.6
161.04602	0.8
179.05598	2.8
237.06111	0.9
267.07162	2.8
309.08319	2.2
327.09351	100.0
328.09778	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1087
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41459	0.5
59.01386	16.3
69.99044	1.9
71.01399	2.9
72.99291	0.6
73.02946	0.7
78.97070	0.5
81.10555	0.5
85.02968	1.5
89.02451	1.9
93.03476	5.6
95.01404	0.8
97.02966	0.6
98.19908	0.6
101.02460	2.0
107.70343	0.5
109.02922	0.5
111.74189	0.5
113.02480	1.6
119.03535	0.5
119.05030	1.3
121.02934	0.9
121.06617	7.0
123.00900	1.5
124.01663	2.0
125.02444	1.8
135.04526	0.9
137.02432	0.7
139.28702	0.5
145.02988	0.6
147.04555	10.0
149.02470	0.6
151.00381	0.7
161.04591	0.6
163.07640	4.0
164.01181	4.7
164.04701	0.5
165.05588	100.0
166.05919	4.6
168.00572	0.6
169.01450	1.6
179.07068	0.9
207.06657	2.6
251.05569	6.1
270.98865	1.4
283.08313	0.7
307.57300	0.6
326.88116	0.7
326.97839	1.5
327.07248	4.1
327.10947	2.3
328.10715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
63.36805	0.3
68.99804	0.4
69.32458	2.1
69.32866	0.7
98.13039	0.3
102.53367	0.3
104.02644	1.1
116.02682	0.5
128.02658	0.7
132.02203	3.2
133.92412	0.3
144.02122	1.5
148.01659	0.5
149.26489	0.4
156.02194	11.2
157.02513	0.6
160.01668	2.7
172.01671	3.4
176.01126	0.8
183.01031	0.4
184.01662	8.8
187.00322	0.3
188.01094	1.1
197.02676	0.6
197.99545	0.5
199.00336	0.4
200.01166	12.8
201.01434	0.3
204.00690	0.5
212.01149	6.5
216.00580	1.0
226.99901	1.0
228.00658	6.1
229.00778	0.4
229.14444	0.8
231.99997	0.4
240.00664	14.6
240.03099	0.7
240.88190	0.5
241.00980	1.4
242.99219	0.5
254.99345	3.0
256.00098	4.6
274.01340	0.4
282.98776	1.5
283.99640	12.2
284.99982	0.7
310.98392	1.0
311.99146	100.0
312.99503	7.3
327.01492	52.0
327.21799	0.5
328.01852	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	327.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
60.36117	0.4
66.43825	0.4
68.99807	0.5
70.89864	1.3
74.97923	0.4
80.62061	0.4
83.18291	0.4
85.02941	0.6
88.72210	0.4
104.02699	0.7
116.02692	0.7
128.02670	0.9
132.02196	2.8
144.02135	1.8
156.02194	11.8
157.02464	0.9
160.01653	3.0
171.10223	0.7
172.01665	2.7
176.01120	1.1
184.01666	10.4
188.01096	1.1
200.01175	12.9
201.01430	0.5
211.13431	0.9
212.01187	7.3
216.00684	1.2
226.99792	1.1
228.00650	8.0
229.14436	0.5
239.98300	0.9
240.00681	16.7
241.00961	1.2
254.99319	1.8
256.00195	4.7
275.65359	0.4
282.98822	1.4
283.96677	0.9
283.99628	10.6
284.99927	1.0
309.65665	0.5
310.98438	1.3
311.99142	100.0
312.99518	8.1
327.01489	78.2
327.21756	5.9
327.98480	0.3
328.01849	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	325.2175
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
59.01387	1.0
59.63336	0.5
70.11823	2.4
79.36310	0.6
79.95744	1.4
93.03469	0.9
105.03349	0.6
112.99055	0.5
114.41745	0.5
119.05039	1.3
126.00335	0.5
126.58858	0.5
133.34222	0.6
149.09738	81.9
150.10112	4.4
163.11305	89.4
164.11597	4.4
170.00453	1.1
183.01224	57.3
184.01912	3.9
197.02785	3.0
198.03484	1.0
214.95618	0.5
216.00980	2.5
225.05910	0.6
230.02496	0.8
265.25311	1.7
307.26709	0.7
325.18326	100.0
325.21750	76.0
325.27072	8.0
326.18631	9.8
326.22079	8.3
326.27859	0.8
341.59229	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55102	0.4
59.01353	0.4
62.61814	0.3
68.99799	1.0
70.14845	0.4
72.97569	0.4
76.01899	0.3
76.09175	0.3
82.19257	0.3
104.02676	0.8
116.02694	0.5
119.01390	0.5
125.05566	0.5
128.02631	0.5
132.02185	3.3
144.02164	0.9
147.00858	0.6
148.01730	0.7
156.02182	10.6
159.00929	0.4
160.01666	2.7
165.09193	0.7
167.60855	0.4
172.01648	3.1
176.01131	1.1
184.01653	9.7
185.02036	0.8
187.00388	1.0
188.01195	1.2
200.01161	12.0
204.00653	0.8
212.01154	5.1
216.00627	1.5
217.88097	0.4
226.99802	1.0
228.00691	5.9
229.01152	0.4
229.91756	0.4
240.00659	16.5
240.03117	0.9
241.00999	0.9
242.99370	0.7
254.99341	3.7
256.00137	3.6
258.98901	0.4
282.98749	2.2
283.19263	0.5
283.99643	11.0
284.99814	0.7
297.97424	0.5
310.98425	0.6
311.99149	100.0
312.99490	8.7
327.01480	53.2
327.21686	2.0
328.01791	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	325.1506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64878	1.2
55.01874	2.3
59.01386	100.0
59.96595	1.2
60.01700	1.2
69.03462	2.2
69.46990	9.3
71.01386	8.6
73.02943	4.3
78.91437	1.2
79.01917	1.2
81.03455	3.8
83.05014	3.1
83.89409	1.2
85.02945	4.1
89.02456	2.5
93.03461	20.5
95.01401	1.8
97.02981	2.0
99.00893	21.6
101.02453	5.0
105.82668	1.0
107.01385	6.6
109.02973	13.4
111.00899	5.7
111.04519	9.6
113.02444	2.4
113.05916	1.2
115.03560	1.2
117.03454	1.3
118.57809	1.0
119.03519	1.2
119.05039	21.5
121.03004	1.3
123.00874	3.5
124.01618	6.2
125.02461	73.6
126.02806	2.5
127.00389	1.1
127.11037	1.1
136.98943	1.5
137.02455	25.5
139.00363	2.6
140.01134	1.7
145.02962	2.7
147.04485	3.4
149.06134	1.2
150.03134	2.0
151.00340	1.3
151.04039	2.0
155.03534	5.4
161.02496	1.3
161.04544	5.6
163.04028	13.8
164.01103	1.1
165.05553	2.4
167.99338	2.0
168.00644	13.2
169.01442	89.8
170.01768	4.7
173.04573	3.9
175.04037	7.1
177.01936	3.2
181.01376	1.5
191.03505	18.3
193.05077	14.7
194.05440	1.3
201.05560	2.8
205.05103	1.4
209.00912	4.2
219.03026	7.8
237.04047	38.7
237.07669	1.9
238.04327	2.4
249.04134	1.2
263.05621	1.7
265.12885	9.8
268.08371	1.5
281.03070	5.8
288.28177	1.2
304.10370	1.2
307.00940	1.6
325.02139	3.1
325.05652	41.2
325.09818	2.4
325.14081	2.1
326.06027	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	325.093
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01757	0.4
59.01156	0.5
59.01388	5.8
69.69090	0.5
71.01393	2.2
85.02953	0.5
87.49368	0.4
89.02450	2.0
90.90829	0.4
99.39768	0.5
101.02444	1.1
113.02474	0.7
117.03484	21.1
118.03781	0.9
119.03667	0.6
119.05038	16.5
145.02966	100.0
146.03308	5.8
159.04402	0.7
161.06136	0.7
163.04019	15.8
164.04352	0.9
174.39458	0.5
182.06775	0.5
187.04030	3.7
197.91290	0.5
205.05029	1.3
235.06133	1.0
265.07172	1.7
325.09299	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	325.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15028	2.5
57.03452	48.1
57.64956	2.6
59.01384	86.5
71.01382	27.1
71.55566	3.2
72.99318	3.9
73.02942	8.8
74.99099	9.6
78.95925	2.8
81.03421	3.1
83.01365	5.0
85.02968	14.1
87.00869	3.0
89.02444	18.2
91.05504	2.6
93.03449	10.2
97.02983	2.8
99.00885	27.1
99.04517	46.8
101.02454	42.8
103.04031	17.7
107.01411	5.6
109.02956	11.7
111.00854	4.5
111.04514	7.3
113.02459	10.7
117.02028	2.6
119.03494	4.6
119.05016	16.7
123.00898	3.3
124.00798	2.9
124.01698	4.1
125.02465	82.8
131.03455	4.7
131.04982	3.0
135.04518	3.1
136.99135	8.4
137.02458	29.3
137.06120	4.7
143.03477	4.6
145.05115	2.9
146.36856	3.0
147.04527	3.6
149.06073	4.2
161.04576	30.0
163.04031	18.6
163.06136	47.5
164.41125	2.6
164.89592	2.7
165.05611	3.2
168.00633	6.5
169.01445	67.8
175.03976	7.4
177.01947	3.7
181.07199	100.0
191.03516	17.0
193.03635	2.5
193.05096	20.0
197.45329	2.9
201.05414	3.5
209.00890	2.9
219.02975	11.6
223.08275	18.8
235.02606	2.7
237.04070	46.6
238.04482	2.7
263.01743	3.6
275.01962	5.8
279.27982	3.0
281.03027	7.2
292.93137	2.7
307.00632	3.7
325.02164	4.1
325.05716	38.7
325.11356	43.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.093
Annotation	CHEBI:76092
Peak:m/z	Relative Intensity
57.14279	0.3
59.01386	4.8
71.01398	2.8
85.02946	0.7
88.22002	0.3
89.02461	1.5
95.96409	0.4
98.19913	0.7
101.02459	1.1
112.97472	0.4
113.02493	0.7
117.03478	21.9
118.03804	0.7
119.03503	0.5
119.05033	4.5
145.02968	100.0
146.03307	4.6
161.06091	1.1
163.04024	7.9
187.04018	3.7
205.05070	1.4
210.32713	0.4
226.64622	0.4
265.07202	1.5
293.73978	0.4
325.09189	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	325.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	0.3
59.01384	5.6
71.01401	2.8
85.02982	0.7
89.02463	2.3
95.01369	0.3
101.02444	1.1
113.02480	1.2
117.03479	20.0
118.03837	0.9
119.03507	0.7
119.05025	4.6
133.06682	0.4
145.02968	100.0
146.02257	0.4
146.03314	4.9
159.04543	0.7
161.06084	1.3
163.04025	9.3
164.04414	0.3
177.05661	0.3
187.04022	3.7
195.36259	0.2
205.05136	1.6
235.06107	0.5
265.07309	1.7
312.97427	0.3
325.09348	4.5
326.09549	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.4
67.69556	0.7
69.03465	1.9
69.77608	1.5
69.78004	2.0
71.01395	0.9
72.56668	0.6
73.02965	3.1
74.79507	0.6
75.25420	0.7
81.03479	1.9
83.05039	5.7
84.42384	0.8
85.02909	1.4
93.03475	25.6
94.03801	1.0
97.02993	1.1
99.00895	2.4
103.11985	0.8
107.01402	7.9
109.02966	1.1
111.00922	1.8
111.04525	10.9
119.05048	1.8
123.00907	4.7
124.01697	3.8
125.02460	67.4
126.02812	2.1
136.98885	0.9
137.02441	7.6
139.00398	2.8
140.01154	3.6
151.00415	1.9
155.03510	4.9
163.04042	0.9
168.00655	11.2
169.01442	100.0
170.01781	3.7
173.04565	3.5
175.03998	1.2
237.04044	2.4
266.64514	0.7
281.06699	0.7
309.94751	0.9
325.05670	65.8
326.06036	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	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.0
65.25416	0.5
69.03459	1.9
69.49670	0.5
70.01575	2.6
71.01398	0.7
73.02977	1.4
81.03474	1.5
81.80490	0.6
83.05033	1.1
89.33332	0.5
93.03477	8.3
95.01447	0.6
97.02983	1.7
98.19981	0.9
99.00891	2.2
106.46331	0.5
107.01404	11.0
109.02950	0.6
111.04563	2.7
119.05026	0.7
123.00932	1.5
124.01720	1.8
125.02465	85.4
126.02815	2.4
137.02470	3.4
140.35939	0.5
153.67453	0.5
168.00677	1.7
169.01447	100.0
170.01775	3.4
173.04590	3.1
191.03545	1.5
193.05099	1.0
209.00760	0.6
237.04123	3.2
325.05664	63.9
326.06046	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	325.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75005	0.6
55.01889	1.5
57.03469	1.4
58.00613	0.6
59.01384	8.0
65.03962	1.0
67.01892	0.8
69.03481	2.2
71.01384	3.7
71.56438	0.9
72.99326	1.2
73.02952	3.7
75.94921	0.5
79.01912	1.2
80.89574	0.6
81.03484	1.8
83.01345	0.7
83.05027	3.7
83.68481	0.6
85.02962	3.4
87.00887	1.1
89.02463	1.6
93.03467	21.0
95.01405	1.4
97.02982	1.8
98.78883	0.6
99.00880	8.7
99.01447	0.8
99.04556	1.9
101.02483	2.1
107.01406	8.8
109.02944	3.9
111.00906	2.8
111.04533	7.5
113.02471	3.6
119.04999	0.7
123.00909	3.8
124.01660	3.8
125.02460	77.7
126.02811	1.6
136.98880	0.8
137.02454	12.8
139.00351	1.8
140.01180	2.4
145.05067	0.9
147.04550	2.0
149.06142	0.7
151.00414	1.9
151.04044	1.0
155.03539	3.5
163.04010	1.0
163.06140	2.7
165.01999	1.0
165.05682	1.1
168.00665	9.7
169.01437	100.0
170.01749	3.0
173.04543	3.4
175.02625	1.1
175.04019	4.3
177.02003	1.1
181.01350	0.7
181.07193	1.9
191.03479	5.3
192.03899	0.7
193.03531	1.7
193.05086	7.2
194.05374	0.7
194.99365	0.7
201.05573	1.5
209.01027	1.3
219.02960	4.2
237.04044	15.2
247.04536	0.7
263.01904	1.2
265.05679	1.2
281.03036	4.3
281.06342	1.1
307.00751	0.7
325.02164	3.7
325.05606	59.4
325.10931	4.1
326.05902	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25266	1.6
59.01373	4.6
63.41299	1.2
67.01888	4.3
67.67161	1.4
69.03453	1.8
69.05521	1.3
70.16818	1.4
71.01395	3.5
71.26105	2.5
72.99314	2.4
81.03477	1.6
82.72515	1.3
85.02975	3.1
89.22346	1.2
91.05536	1.7
93.03487	2.3
95.01430	3.0
97.02981	2.4
101.02406	1.6
103.05524	4.1
107.01373	2.6
107.05038	1.4
108.02180	2.0
109.02969	6.1
111.00916	11.9
112.97056	1.4
117.03485	8.6
119.05035	19.4
121.02948	7.3
121.06623	1.8
123.00896	8.1
123.04556	1.6
124.01676	20.9
125.02467	58.3
126.02817	2.9
131.05089	2.6
132.52008	1.3
135.04530	4.2
136.01688	3.2
137.02441	10.2
139.00372	5.0
145.01898	2.8
145.02975	35.0
145.04120	1.7
147.04558	29.5
148.04759	1.3
149.02440	8.4
149.06070	2.5
151.00378	10.2
151.04042	7.1
152.01199	13.5
154.99902	5.7
163.04036	12.3
164.01193	2.5
165.01945	6.0
165.05592	8.6
168.00687	4.5
169.01500	10.3
173.02516	2.7
174.03271	1.6
175.04031	62.9
176.04373	3.9
177.01942	2.0
181.01428	3.4
187.04041	2.9
191.03502	5.0
192.00629	2.0
193.01453	9.5
193.05092	81.6
194.05380	4.6
194.99376	34.5
196.92143	1.4
201.01892	1.6
204.00659	3.2
205.05008	2.2
206.02193	1.5
207.02992	3.9
207.81662	1.2
209.04605	5.0
219.03015	70.3
220.03300	4.4
235.02501	11.1
237.04059	21.3
238.04422	1.3
240.90085	1.3
245.01161	2.3
263.02017	23.0
264.02286	1.4
281.03073	51.7
282.03287	3.9
286.26312	1.3
307.01050	6.9
307.04062	1.7
325.02029	100.0
326.02429	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	323.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25109	0.7
53.65950	0.6
59.01384	100.0
70.73704	0.7
71.01398	2.6
73.02967	0.9
77.67780	0.7
85.02956	1.5
87.00834	0.8
89.02470	0.9
98.20721	1.1
101.02451	3.0
113.02431	1.0
119.05043	0.9
135.04579	0.8
139.98964	0.7
152.47014	0.7
154.87802	0.7
161.02437	1.9
161.04558	1.4
204.83008	0.7
247.02551	0.9
259.81815	0.9
263.15045	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	325.0205
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33752	1.3
53.38218	1.4
55.01871	2.9
57.03444	2.7
59.01382	15.5
67.01904	1.5
67.83606	1.2
69.03466	3.2
70.30572	2.9
71.01395	9.8
73.02953	4.1
74.99097	3.4
75.84277	1.7
78.95927	1.9
81.03456	3.2
83.01393	1.5
83.05040	2.5
84.48216	1.2
85.02953	4.7
87.00896	3.3
88.78327	1.4
89.02451	5.6
93.03478	12.5
95.01430	3.4
97.02937	1.9
98.20111	1.9
99.00891	47.5
99.04523	2.6
101.02449	5.2
103.04028	12.5
104.41894	1.5
107.01385	7.8
109.02962	25.1
111.00886	7.1
111.04520	4.0
113.02454	5.8
119.05044	25.2
120.99641	1.3
123.00896	4.3
124.00774	2.6
124.01689	3.9
125.02467	100.0
126.02759	3.0
131.05023	2.2
133.05099	5.1
135.04501	2.6
136.99075	4.1
137.02466	54.1
137.06047	1.7
138.02853	1.8
143.03526	1.6
145.02968	2.8
147.04520	6.2
149.02437	1.8
149.06073	5.3
150.03247	2.4
151.00340	2.5
151.03983	2.3
155.03513	2.6
161.04567	2.4
163.04016	16.4
163.06142	5.3
164.01178	2.0
165.01936	4.3
165.05606	3.0
168.00667	9.3
169.01445	89.9
169.41956	1.5
170.01749	3.9
173.04565	3.3
175.04002	13.0
177.01920	5.1
181.01450	5.0
181.07237	1.8
190.02812	2.0
191.03519	37.1
192.04034	1.5
193.01418	2.5
193.03409	3.2
193.05083	32.2
195.04530	2.2
201.05602	9.0
205.05084	1.9
209.00948	6.7
219.02988	15.0
219.06491	2.2
237.04059	98.9
238.04407	4.4
245.04605	1.5
263.01892	1.6
263.05734	2.9
265.05515	2.0
275.02087	3.3
281.03055	19.4
282.03461	1.4
307.01099	4.5
325.02072	5.5
325.05667	49.5
325.11172	11.6
326.05972	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.2
57.03455	1.5
58.00593	3.7
59.01387	100.0
69.50327	6.3
70.92483	1.1
71.01389	46.5
71.23019	0.9
72.01752	1.0
72.99294	2.4
73.02951	1.7
74.46128	0.9
78.82180	0.8
83.01392	1.9
85.02956	11.8
87.00878	1.1
89.02457	54.1
94.82478	0.8
95.01381	3.1
99.00857	1.1
99.08141	1.3
101.02454	35.1
107.27278	0.9
113.02467	17.4
119.03519	26.6
131.03551	1.6
136.66634	1.0
143.03511	3.6
149.04517	1.9
161.04546	1.6
179.05608	3.2
323.13492	93.3
324.13928	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	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00600	3.9
59.01386	100.0
60.01719	1.6
71.01390	48.4
72.99309	4.1
73.01778	1.0
73.02953	1.4
83.01393	2.9
85.02970	10.0
87.00888	1.5
89.02455	56.9
92.24127	1.0
95.01404	3.0
101.02451	32.7
109.32178	0.9
113.02464	20.7
119.03517	25.7
124.40030	1.2
131.03497	2.1
143.03519	2.6
161.04547	3.0
171.82202	1.0
179.05635	3.3
200.12744	1.1
242.93822	1.1
323.13498	89.1
324.13791	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	323.0563
Annotation	Neobanol
Peak:m/z	Relative Intensity
59.01388	8.9
69.71040	4.2
71.01405	1.9
83.18343	0.9
85.02944	0.9
90.66578	0.8
91.01885	1.5
93.03459	5.9
96.96008	1.7
101.02463	1.6
104.04265	0.8
113.02443	1.0
116.55491	0.7
119.05056	4.3
121.02992	5.2
128.10844	1.4
130.08752	28.8
131.09103	10.1
133.02959	1.1
135.00890	0.9
161.04593	1.0
163.00409	1.0
163.03978	1.0
165.01888	1.9
180.05823	0.9
187.11296	2.3
193.06589	3.5
195.08179	2.9
196.08485	0.8
206.07339	2.2
208.05440	1.4
221.06110	10.5
222.06783	4.9
223.07602	3.4
224.04788	0.9
249.05592	8.0
250.06346	12.8
251.07156	28.7
252.07462	3.2
277.04935	2.5
279.06628	16.9
280.06787	0.9
287.03177	1.1
294.05280	4.4
295.06116	11.2
296.06186	0.9
299.99084	12.3
300.99390	1.0
322.20291	1.9
322.98108	14.2
323.05621	100.0
323.13034	2.8
323.20602	9.8
323.98376	1.1
324.05975	8.4
327.53024	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01716	1.2
71.01389	5.5
73.02975	1.1
85.02945	2.1
89.02448	1.0
101.02448	3.1
101.06094	1.4
104.29599	0.8
111.72834	0.9
113.02442	3.1
159.02985	1.2
160.44035	0.9
161.04581	3.8
168.11938	1.0
206.85529	1.1
263.11353	4.4
323.13452	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	323.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00601	1.3
59.01390	100.0
69.82864	3.6
71.01397	16.4
72.99322	0.9
85.02970	2.4
87.00870	1.1
89.02458	20.6
89.32839	0.6
95.01388	1.1
98.20632	0.9
101.02465	9.8
113.02470	8.1
119.03518	9.6
119.12621	0.6
125.06100	1.0
131.42853	0.6
143.03508	1.6
143.07198	3.9
149.04558	0.9
161.04636	1.4
179.05649	3.6
192.62085	0.8
233.72684	0.7
289.60297	0.6
323.13507	42.5
324.13882	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
58.26164	0.6
59.01384	5.3
59.72495	0.6
69.37137	5.6
71.01389	1.4
78.95907	9.2
89.02448	1.2
91.01920	1.1
96.96997	1.7
98.19950	1.5
101.02463	0.8
119.01430	1.7
119.05022	1.2
131.01396	1.5
132.02182	1.4
133.02980	1.5
135.00929	1.1
135.04550	0.8
136.01703	1.1
147.00914	4.1
148.01695	4.3
159.00859	1.4
159.40338	0.6
160.01775	0.8
161.02458	2.1
161.04749	0.7
163.00430	1.3
164.01144	1.8
173.02606	0.7
175.00345	4.8
175.04005	0.7
176.01164	100.0
177.01552	5.1
178.99869	2.3
187.00375	5.6
188.01172	1.0
189.01910	0.9
190.99915	1.0
191.03506	2.2
192.00642	1.1
202.99878	2.6
204.00648	61.5
205.01172	3.8
214.99861	4.3
215.39915	0.6
216.00629	2.2
217.98450	0.8
218.99461	0.8
219.02989	1.9
230.99364	17.7
232.00117	14.7
233.00661	1.2
235.02480	5.1
247.02484	6.1
247.99585	1.9
248.03229	1.7
261.00415	1.2
263.02017	0.8
275.99133	59.9
276.99432	3.1
291.01483	66.0
292.01801	5.4
323.04108	92.6
323.12607	2.6
324.04489	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	322.2027
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02986	1.9
62.48627	0.2
69.20127	2.9
71.01414	0.3
79.20966	0.3
80.05029	0.3
81.03468	0.8
95.05055	0.8
97.06619	0.8
109.06582	0.7
115.63764	0.2
116.31676	0.3
128.10832	8.0
130.08752	100.0
131.09131	2.7
151.94269	0.2
165.12860	1.4
172.09766	0.3
190.14284	0.3
304.19046	0.3
305.14001	0.3
322.20239	33.8
323.20642	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	323.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50802	1.0
69.61121	5.5
69.61532	1.9
91.05518	1.4
103.05556	1.9
105.03474	10.3
119.05038	7.5
125.02456	2.2
127.88303	1.1
130.04279	2.0
131.05029	4.9
132.02206	1.3
133.02945	1.5
147.04555	19.7
148.04898	1.3
149.02443	1.9
158.03716	3.2
159.04518	9.9
161.02466	2.2
169.01414	1.7
173.02409	1.0
175.04022	100.0
176.04408	6.1
177.05565	8.3
191.03539	2.0
203.03522	66.5
204.03876	4.1
211.25888	1.3
221.04565	15.2
247.02481	97.4
248.02902	6.5
252.24054	1.1
301.02649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0933
Annotation	Indole-3-carboxylic acid beta-D-glucopyranosyl ester
Peak:m/z	Relative Intensity
57.41532	1.3
58.00592	3.5
59.01385	100.0
71.01395	57.7
71.57017	1.4
72.99304	4.2
73.02942	2.2
73.47846	1.1
82.03015	2.9
83.01408	3.1
84.62918	1.4
85.02975	11.5
87.00883	2.2
89.02456	57.0
95.01411	2.9
96.96008	4.6
98.02451	1.9
101.02457	30.8
102.02847	1.4
102.17142	1.3
113.02462	25.3
116.05076	35.6
117.05373	1.7
119.03529	22.9
119.05028	1.8
120.99648	1.7
125.02432	2.3
131.03513	2.4
135.04555	1.3
135.77454	1.3
143.03510	3.3
144.04564	3.1
146.06126	2.0
149.04561	1.5
160.04060	62.4
160.05386	3.1
161.04459	5.3
175.03946	2.1
179.05626	4.0
202.05132	30.2
203.03674	1.9
207.03004	1.4
232.06149	7.4
235.02327	1.4
262.07214	43.4
263.07495	2.3
270.92023	1.2
301.25388	1.2
305.06772	1.4
316.60132	1.2
322.09348	51.8
322.15753	2.9
323.09799	4.3
325.73166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.3
57.03445	4.1
58.00600	4.1
59.01386	100.0
60.01697	1.2
69.03452	0.8
69.73610	4.7
71.01389	85.7
71.05019	3.2
72.99313	4.5
73.02551	1.3
73.02959	19.3
75.00874	1.0
83.01405	9.3
85.02960	31.1
87.00887	5.5
89.02454	48.5
95.01410	5.9
96.96028	1.9
97.02961	2.1
97.06593	5.8
99.00895	9.2
99.04439	0.9
101.02456	67.6
101.06084	2.1
103.29640	0.9
111.00895	2.0
113.02465	32.6
113.03256	1.7
114.02787	1.3
114.12784	0.9
119.03519	22.8
125.02419	5.0
129.01932	2.1
131.03528	1.4
143.03513	3.8
147.80217	0.9
149.04570	1.5
159.03014	6.7
159.06656	10.1
159.10289	12.0
161.04572	17.8
169.01443	6.4
179.05670	1.6
236.33310	0.9
309.12146	1.0
321.15564	39.7
322.15933	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	8.0
57.03463	5.2
58.00586	4.3
59.01388	100.0
61.72701	1.1
70.01899	2.8
70.02295	1.9
71.01394	86.9
71.05042	2.6
72.01724	2.2
72.99315	5.4
73.02957	18.5
74.99091	2.6
75.00903	1.7
83.01390	10.5
85.02966	30.2
87.00893	7.6
89.02459	52.3
89.48544	1.1
95.01384	5.3
95.05075	1.3
96.16286	1.2
96.96028	3.3
97.02946	1.7
97.06610	4.3
99.00888	7.7
101.02458	74.2
101.06087	4.2
102.02786	1.7
103.99630	1.1
111.00881	2.8
113.02463	36.0
119.03522	23.8
122.80091	1.1
125.02476	11.1
129.01942	1.0
131.03505	2.4
141.41580	1.0
143.03502	3.9
159.03015	6.5
159.06670	7.6
159.10283	12.3
161.04581	23.7
169.01433	17.2
177.02007	1.0
179.05589	1.9
201.21376	1.0
209.45154	1.0
213.67726	1.1
217.74803	1.2
219.97964	1.2
225.78288	1.2
233.04575	1.4
241.03584	2.0
241.10866	1.6
243.75237	1.0
249.04024	1.4
277.03870	1.1
321.02914	2.4
321.06546	6.4
321.15561	41.0
322.15866	3.4
323.51852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0836
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	3.1
59.01384	6.9
69.03457	5.9
70.26217	7.0
71.01402	14.9
71.23629	1.7
73.02953	16.1
78.95921	3.9
79.27718	2.1
81.03437	2.0
83.01413	3.0
84.13256	1.8
85.02957	35.4
87.00884	100.0
88.81812	1.8
91.43915	1.7
95.01389	3.5
96.96938	2.1
97.02952	24.8
98.20672	1.7
99.00865	3.9
103.04032	9.6
113.02473	10.0
113.99577	3.0
115.00363	11.7
115.04003	2.2
125.02454	1.7
126.21579	1.8
129.01897	2.2
130.50517	1.7
134.95862	1.7
141.01874	2.2
157.01392	7.1
157.21608	1.9
158.02234	2.9
169.67557	1.8
175.02493	48.4
216.24065	1.7
217.03528	19.4
303.07364	4.3
321.08276	21.9
322.08203	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	321.0652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07456	0.6
59.01386	61.0
69.50269	0.9
69.50686	4.0
71.01387	3.2
79.95751	2.1
81.03460	0.7
85.02948	2.4
89.02450	2.2
90.40733	0.7
95.47625	0.6
96.96020	51.6
99.09917	0.8
101.02467	2.8
113.02442	1.3
114.32748	0.8
115.46623	0.8
119.05035	19.0
121.06634	1.2
125.02453	1.0
142.47585	0.7
145.06593	2.9
149.09669	0.8
151.07666	3.8
160.04044	0.9
161.09799	2.1
163.07684	3.7
169.01430	1.4
179.10773	3.0
197.11761	1.1
234.64307	0.7
235.39676	0.9
241.10829	38.6
242.11179	3.2
321.06497	100.0
322.06732	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	321.083
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
55.01876	1.1
55.45808	0.9
57.03441	4.2
59.01391	6.3
68.99815	1.0
69.03468	7.6
70.89735	2.2
71.01392	15.3
71.32070	1.0
73.02953	15.5
73.45760	0.9
78.95911	1.7
81.03478	1.6
83.01392	2.8
83.48016	0.9
85.02963	30.8
87.00886	100.0
88.01226	1.2
95.01387	3.5
96.44598	0.9
96.96966	1.8
97.02959	22.6
99.00880	2.1
103.04015	9.8
108.88930	0.9
113.02450	8.2
115.00390	11.2
115.04014	1.7
123.62456	0.9
129.01912	1.8
141.01892	1.5
157.01445	7.6
164.89542	3.9
175.02493	40.3
176.02763	1.3
217.03543	17.6
303.07092	3.9
321.08435	5.8
322.87894	1.0
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
57.03449	3.1
59.01390	13.6
67.08186	1.1
69.03451	5.0
69.70806	5.4
71.01386	16.3
72.99311	2.5
73.02956	13.9
78.95916	2.9
83.01395	2.7
83.05046	1.4
85.02962	30.1
87.00886	100.0
95.01398	4.1
96.96010	6.8
96.96981	3.2
97.02965	21.4
98.19984	1.8
99.00909	1.8
101.02465	1.4
103.04020	9.3
105.06660	1.0
111.00879	1.5
113.02465	7.7
115.00387	11.1
115.04013	1.8
117.98836	1.0
119.05057	2.2
120.99702	1.2
129.01950	1.9
131.47762	1.0
142.99869	2.0
157.01460	7.4
161.02481	1.4
162.95613	1.1
164.89525	2.7
169.62424	1.0
175.02493	41.9
176.02919	1.5
217.03519	18.4
221.96056	1.1
241.10860	5.2
303.07269	3.5
315.24948	1.0
321.06357	13.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0803
Annotation	Flustramine E
Peak:m/z	Relative Intensity
53.37865	12.4
57.08502	13.4
59.01381	19.7
59.88035	10.9
71.56185	13.3
71.56563	15.7
78.95930	63.3
96.96975	100.0
123.40818	10.7
123.80183	12.2
154.54509	13.4
181.09172	10.9
193.86557	14.0
227.00298	13.1
248.46381	11.6
283.10361	54.4
310.88419	13.6
319.08127	91.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07179	1.0
59.01387	100.0
60.01718	1.7
60.21873	1.3
63.66563	1.5
71.01390	5.4
71.34570	2.4
73.02965	1.2
82.72063	1.3
83.01420	1.3
85.02961	3.0
89.02463	1.6
101.02467	3.9
113.02453	2.6
113.06089	2.1
121.02986	4.7
127.31990	1.2
131.01633	1.4
148.34392	1.1
157.05089	3.1
161.04570	3.4
209.66422	1.2
259.08051	2.9
319.04663	1.2
319.14255	1.7
322.52203	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74813	0.9
53.27878	1.0
54.69640	1.0
55.01870	1.9
57.03451	8.7
59.01382	20.6
64.34421	1.0
67.01891	3.5
68.99821	2.4
69.03470	1.9
69.64389	0.9
71.01392	14.9
72.99314	7.8
73.02952	6.3
83.01396	15.8
83.81792	1.2
85.02956	20.2
87.00880	20.0
89.02459	6.6
95.01411	4.1
96.99461	1.1
99.00901	3.2
100.01676	2.3
100.09130	1.0
101.02447	13.0
109.02938	2.3
111.00892	100.0
112.01240	3.2
113.02453	23.4
114.98586	1.6
115.00374	4.9
125.02464	2.7
127.00359	3.5
127.04048	1.8
128.01163	4.6
129.01953	95.1
130.02284	3.2
139.00392	48.4
140.00769	1.6
141.01918	2.8
153.01990	2.0
156.00667	4.0
157.01437	20.5
161.04559	2.5
181.01448	4.0
275.02017	2.0
291.07312	4.5
319.06729	41.4
320.07236	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	319.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
59.01381	4.0
67.01890	2.2
68.99553	1.6
69.01115	1.0
69.03474	0.9
69.69666	5.2
71.01385	3.1
73.02963	1.2
75.00914	1.0
78.95921	2.2
81.03474	1.2
82.20091	0.9
83.01398	10.5
83.05035	1.3
84.11131	0.8
85.02962	6.9
87.00888	2.1
89.02448	1.3
96.96952	1.7
96.99324	1.2
97.02938	1.1
98.19968	1.8
99.00900	6.6
100.01699	1.5
101.02483	1.3
109.02935	1.4
111.00908	11.9
112.98603	3.7
113.02425	6.1
120.99686	1.5
123.00896	1.1
124.98788	5.8
125.02460	2.9
125.99584	2.9
127.00417	7.0
128.01167	1.6
129.01967	3.2
139.00394	4.6
141.01930	2.4
153.01936	3.4
154.99785	1.0
156.00667	86.1
157.01450	16.6
159.03011	1.3
166.75534	1.0
169.01392	1.1
171.02974	1.8
199.02527	1.9
213.78279	0.9
222.52573	0.9
270.96533	1.0
289.05551	2.1
319.06720	100.0
320.06979	5.5
336.83682	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40557	2.2
59.01385	3.5
68.99578	78.8
71.01395	3.1
71.56271	4.4
83.01413	4.6
85.02956	2.3
96.96997	2.3
99.00921	3.1
111.00862	5.5
112.98579	100.0
113.02451	5.2
124.98853	2.4
127.00319	3.9
131.02386	2.0
156.00664	31.9
157.01402	3.2
229.07239	2.2
254.67708	2.0
301.05057	2.2
309.37146	2.4
319.06744	31.4
319.10294	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.9
59.01389	5.7
69.23644	9.5
71.01396	6.0
72.99293	1.4
78.95892	1.3
81.62306	1.0
83.01392	3.7
85.02942	3.4
89.02502	1.5
95.01411	2.2
95.05012	1.5
97.02944	2.4
99.00900	10.9
100.01682	10.0
101.02449	2.2
109.02958	2.2
111.00896	29.6
111.01664	1.6
111.04503	1.0
113.02472	6.4
118.95750	0.9
120.99644	2.8
124.98812	2.2
125.02410	3.6
127.00387	3.6
128.01164	14.6
129.01909	1.9
139.00397	9.1
141.01886	1.3
153.01944	4.7
154.99843	2.8
156.00662	85.1
157.01251	6.3
169.01480	1.6
181.01413	1.3
187.07610	1.9
199.02533	1.8
212.06372	1.4
288.50839	1.0
319.06717	100.0
320.06998	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.994
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63683	0.4
54.69974	0.4
69.55183	2.6
81.97720	0.4
83.56030	0.4
117.03491	1.0
125.02438	0.4
133.02959	1.0
143.01378	0.4
145.02960	2.4
149.02499	0.4
159.00941	0.8
160.77588	0.4
161.02480	4.2
163.04045	0.8
165.87494	0.4
171.00858	1.4
173.02469	1.3
175.00244	0.4
177.01968	0.7
180.91714	0.4
187.00414	1.8
188.00955	0.5
189.01958	4.7
190.02290	0.5
199.00391	0.5
200.01108	0.6
201.01936	1.0
205.01434	1.6
214.99915	2.2
216.00545	0.8
216.99707	0.4
217.01405	2.7
226.99866	0.6
229.01390	0.4
233.00787	0.8
242.99355	3.2
243.99823	0.8
245.00960	3.7
261.00256	0.6
270.98853	4.3
271.99460	0.4
273.00385	1.8
298.98340	3.4
299.99133	2.8
315.98660	3.4
316.99399	100.0
317.99771	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	315.1089
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01399	1.6
65.53801	0.3
67.01933	0.4
69.68454	0.7
69.68861	1.4
71.01397	0.8
74.83845	0.3
93.03497	0.4
95.01414	1.5
95.05035	0.8
97.02960	0.4
107.01401	0.6
109.02972	0.5
122.03725	0.8
123.00917	4.6
123.04536	72.9
124.01680	0.4
124.04858	2.1
125.02448	5.1
137.02483	0.3
139.00392	1.4
140.01115	0.4
150.01636	0.3
151.00423	2.5
153.02083	4.3
153.05588	100.0
154.05927	4.5
158.64238	0.3
159.04485	0.3
166.99893	2.0
168.00644	0.6
169.01445	7.2
192.12506	0.4
201.01929	0.5
203.03477	0.4
211.02443	0.5
229.01366	0.5
232.03012	0.5
240.02740	0.5
257.00946	0.5
275.02017	0.6
287.03070	0.5
288.03738	0.4
300.99802	2.8
302.03641	0.5
307.02817	1.2
313.05692	0.7
314.97690	1.1
315.07230	4.4
315.10901	2.0
316.03357	8.6
316.07251	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0726
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
52.80074	0.8
59.01386	28.0
59.10065	0.8
68.99841	1.0
70.83197	1.6
71.01391	12.6
71.89374	0.8
72.99322	1.1
73.02950	1.1
81.03474	0.9
83.01412	2.0
85.02962	2.8
89.02463	8.9
95.01401	3.7
101.02467	6.2
107.01394	3.2
108.02186	3.6
109.02969	55.1
110.03276	1.8
111.00896	1.6
111.01939	0.8
113.02456	4.1
117.05595	7.1
119.03494	2.6
123.00907	12.5
123.04539	4.5
124.04063	1.9
125.02460	11.4
136.04036	3.8
136.98846	1.0
137.02472	1.1
139.00371	3.3
140.01187	1.1
141.02011	0.9
151.00375	3.3
151.03976	1.4
152.01164	10.7
153.01955	100.0
153.05481	4.0
154.02261	3.3
163.06107	1.0
165.01953	1.6
166.99884	3.3
167.03523	1.4
169.01454	18.8
170.01810	1.0
173.02444	0.9
177.02017	1.2
183.04114	1.6
193.01317	0.9
195.03017	20.0
196.03369	0.9
201.01941	1.0
211.02527	1.4
214.13426	0.9
229.01445	1.3
255.05099	9.8
257.00949	1.2
275.02017	2.2
300.99969	5.3
301.02887	1.1
302.03525	1.4
307.02765	3.4
313.05585	1.2
314.97690	1.8
315.07242	72.2
315.52939	2.0
316.03305	20.6
316.07489	5.6
316.10571	0.8
339.21671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.015
Annotation	3-O-Methylellagic acid
Peak:m/z	Relative Intensity
101.56610	0.2
112.54105	0.2
117.30651	0.2
119.01526	0.2
131.45883	0.2
132.02263	0.4
144.02266	0.3
147.00966	0.4
148.01695	0.3
160.01630	1.1
171.02419	0.2
172.01723	0.9
176.01190	0.3
188.01176	0.8
199.00406	0.4
200.01158	2.1
214.99925	0.7
216.00632	3.5
217.00951	0.2
226.99825	0.5
228.00645	0.6
242.99330	2.2
244.00081	2.7
270.98807	1.6
271.99643	0.7
282.98746	0.3
298.98358	1.0
299.99124	100.0
300.99466	6.4
315.01477	58.5
316.01755	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	315.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25357	0.3
57.76134	0.3
64.35621	0.3
66.51374	0.3
67.54101	0.3
67.82651	0.3
70.74182	0.3
71.33645	0.7
74.52086	0.3
82.56947	0.4
109.20577	0.3
119.39442	0.4
132.02234	0.7
139.94244	0.4
144.02216	0.6
147.00880	0.5
148.01726	0.3
159.00891	0.9
160.01717	1.6
172.01678	1.4
175.00470	0.3
176.01172	0.4
187.00418	0.6
188.01141	1.5
199.00392	0.5
200.01125	2.9
214.99852	1.1
216.00639	4.9
226.99936	0.4
228.00665	1.0
230.99451	1.4
242.99385	2.6
244.00119	3.9
253.70433	0.3
270.98840	1.3
271.99597	0.8
282.98761	0.8
286.98444	1.5
298.98288	1.9
299.99136	100.0
300.99515	8.5
314.97937	5.8
315.01459	60.8
315.98343	0.7
316.01770	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	315.0727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.99712	0.8
59.01156	0.8
59.01387	9.5
69.35033	0.9
69.80063	3.3
69.80475	1.8
71.01384	5.3
73.02969	1.7
79.01894	1.6
83.01412	1.5
85.02956	3.1
87.75854	0.8
88.51964	0.9
89.02462	1.4
95.01402	4.8
97.02956	1.6
98.20721	1.7
101.02459	1.4
107.01405	2.7
108.02189	87.3
109.02982	34.9
110.03280	0.9
111.00871	1.9
113.02448	1.4
117.05592	8.1
121.02951	1.2
123.00894	13.6
123.04523	3.7
124.01730	1.0
125.02469	17.1
137.02457	1.9
139.00401	4.5
139.03969	2.2
140.01210	1.9
145.02924	1.6
151.00360	3.5
151.04012	1.8
152.01173	59.6
153.01964	38.8
153.05611	5.1
154.02385	1.0
163.03993	2.5
165.01952	1.4
166.99887	4.8
167.03503	1.2
168.00667	4.5
169.01445	25.3
175.04108	1.2
193.01373	1.4
195.02980	3.3
211.02505	5.8
229.01389	1.9
231.02789	1.0
247.02443	1.8
275.02045	2.0
300.99960	6.5
302.03540	1.7
307.02872	3.1
313.05640	1.9
315.07248	100.0
316.03320	25.9
316.07547	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	315.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72622	0.3
67.04875	0.3
69.39080	2.6
69.62870	0.4
83.71967	0.3
115.82893	0.3
118.54226	0.4
127.17956	0.3
148.01732	0.4
159.00911	0.5
160.01692	0.7
161.62064	0.3
172.01697	1.6
176.01183	0.5
187.00462	0.6
188.01271	1.0
197.06197	0.4
200.01141	2.8
214.99968	0.5
216.00658	3.7
227.00000	0.6
228.00659	0.7
230.99356	0.9
242.99361	2.3
244.00098	3.1
270.98871	1.4
271.99573	0.5
273.54718	0.3
282.98819	0.7
286.98370	1.0
298.98352	1.2
299.99130	100.0
300.99463	7.9
314.98029	3.2
315.01468	44.6
316.01791	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	313.2752
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03198	0.9
57.03455	12.2
59.01385	0.7
69.03478	3.3
69.03790	0.9
69.20538	3.8
69.20961	2.6
70.29819	0.6
74.99095	0.8
91.02207	2.5
98.20715	1.3
101.51630	0.6
123.00889	0.8
145.53670	0.6
185.00758	0.8
240.11606	0.7
251.23793	1.0
267.26938	53.4
268.27292	5.1
295.26471	2.8
313.16681	2.3
313.27518	100.0
314.27856	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	314.9786
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72197	0.6
55.33524	0.5
56.91536	0.6
60.89212	0.5
65.00331	0.7
71.07425	0.5
73.00832	1.0
75.02404	1.1
87.02412	0.7
89.00372	1.4
91.01868	0.7
98.19936	1.2
103.01908	1.6
108.04560	1.7
115.01908	2.6
119.01379	0.7
125.02483	1.7
126.02853	0.6
128.59119	0.5
131.01399	5.0
134.87027	0.6
136.07698	2.2
136.88527	0.5
138.79787	0.5
143.01405	4.3
147.00894	2.1
155.01405	1.1
159.00868	7.4
160.01591	0.9
162.05594	0.7
168.99327	1.9
169.01453	1.3
170.00008	0.7
171.00894	11.2
172.01564	1.3
175.00348	3.2
184.98820	5.8
185.36246	0.5
185.99626	0.8
187.00398	5.8
188.01100	1.0
199.00398	16.7
200.01051	2.7
202.99864	2.5
214.99893	37.3
216.00504	3.5
226.99840	1.5
230.99367	12.9
231.99672	1.0
241.98549	3.7
242.99359	10.4
244.00035	2.4
258.98846	1.7
270.98877	34.2
271.10883	7.0
271.99359	1.7
282.98798	0.7
286.98380	13.6
287.98566	0.8
299.99133	67.1
300.99487	4.6
314.97849	100.0
315.01492	36.1
315.98199	7.5
316.01883	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2388
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.64730	0.6
57.03450	0.9
68.79037	0.7
83.41991	0.6
93.84565	0.6
97.15913	0.8
98.19827	1.1
99.17936	0.6
107.01391	0.8
123.73871	0.7
141.48241	0.7
185.00810	2.5
251.23817	66.1
252.24178	5.9
269.24832	1.9
283.02362	0.8
295.22809	23.3
296.23196	2.9
298.04828	1.3
312.99814	1.4
313.16785	7.9
313.23877	100.0
313.99500	1.1
314.24225	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	313.0932
Annotation	Phyllanthurinolactone
Peak:m/z	Relative Intensity
50.04301	0.6
57.03450	1.1
59.01396	4.0
61.23394	0.7
66.71945	0.6
69.03451	0.6
71.01388	16.8
71.57040	1.4
72.01714	0.6
72.99319	1.3
73.02944	5.1
75.00893	1.2
78.95921	0.7
83.01395	2.2
85.02968	7.3
87.00883	0.9
87.68108	0.6
89.02460	2.2
95.01405	1.1
96.96030	4.2
97.02976	0.8
97.04578	0.7
99.00900	2.8
101.02457	9.0
106.04268	0.8
107.01417	1.4
107.05041	100.0
108.05378	2.9
113.02467	7.6
123.00888	2.2
125.02477	5.5
134.08470	0.7
135.98595	0.6
139.00357	1.1
140.01151	2.8
141.01936	0.6
143.03461	1.3
151.00362	1.6
151.04031	8.8
159.02969	2.1
161.04599	8.8
167.03387	0.7
168.00647	2.9
169.01422	7.0
178.99850	2.2
211.99661	2.8
239.99113	3.0
260.96536	0.6
263.33670	0.7
295.00864	0.8
313.02048	8.0
313.05734	8.0
313.09131	1.0
313.13116	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	312.9995
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94820	0.3
63.04488	0.3
69.24032	2.5
108.41270	0.3
113.25530	0.3
117.03471	0.3
119.05031	0.3
123.05136	0.3
127.01901	0.6
129.03477	1.0
141.03444	0.7
143.01389	0.5
145.02954	0.7
146.03224	0.3
147.04517	1.0
157.02960	2.0
163.04054	0.3
167.27745	0.3
169.02975	1.4
171.00887	0.8
173.02457	2.4
183.00903	0.5
185.02448	5.3
186.97331	0.3
187.00388	0.8
199.00348	2.0
200.01147	1.5
201.01930	3.0
211.00403	0.4
212.01247	0.3
213.00041	0.5
213.01938	5.5
214.99834	1.1
226.99866	7.8
228.00546	1.1
229.01425	2.8
230.99310	0.9
236.37086	0.3
241.01503	3.0
242.99278	0.4
254.99385	6.8
255.01964	0.2
255.99866	1.0
257.00977	3.0
266.99500	0.4
268.00146	2.8
269.00879	0.5
270.98987	0.9
282.98868	7.8
283.99646	12.1
285.00418	19.1
286.00851	1.3
286.58325	0.3
298.98370	0.7
310.98349	4.1
311.98956	0.9
312.99918	100.0
314.00269	7.9
314.03070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.072
Annotation	Sylpin
Peak:m/z	Relative Intensity
50.68213	0.2
50.72154	0.2
58.81160	0.2
59.01376	0.2
60.85598	0.2
61.62857	0.2
73.64649	0.2
77.03979	0.3
79.25969	0.2
81.64713	0.2
93.03448	0.4
96.75629	0.2
121.02971	100.0
122.02520	0.3
122.03310	2.9
128.47362	0.2
134.38403	0.2
140.71211	0.2
158.22456	0.2
180.05814	1.0
180.15608	0.2
181.06624	4.2
182.06941	0.4
207.10417	0.2
225.05577	6.8
226.05965	0.5
269.08359	0.2
283.02567	0.4
285.00473	0.2
298.04749	0.5
312.99780	0.8
313.07211	13.5
313.23578	0.5
313.99756	0.3
314.07629	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.223
Annotation	Octadeca-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
53.43471	0.5
55.13670	0.5
57.03450	1.1
59.01386	5.7
65.00362	0.6
70.30270	1.5
70.30628	0.8
79.01893	0.7
83.05022	0.8
84.55510	0.5
85.02972	0.6
87.51637	0.5
95.01374	1.1
102.25957	0.6
104.33631	0.5
113.02436	0.6
123.00888	1.2
125.39670	0.6
129.52446	0.6
151.00389	1.4
155.14403	0.7
158.61243	0.5
161.04466	0.7
179.07092	0.8
183.01245	1.9
197.02786	6.6
198.03516	0.7
211.04382	0.8
249.22256	49.1
250.22629	5.2
251.11343	0.8
259.69565	0.6
267.23154	1.8
282.36603	0.6
293.21262	23.0
294.21524	1.7
296.03421	0.9
311.17007	15.0
311.22308	100.0
312.22678	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	311.2231
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
50.83014	1.2
57.03452	2.4
59.01389	14.5
59.37357	1.3
65.00331	2.3
71.01399	1.1
71.57302	1.3
86.23784	1.1
95.01424	3.2
111.00903	1.7
113.09716	1.4
121.10199	1.8
123.00894	2.0
125.09735	2.5
127.11295	4.3
129.09245	2.6
139.11296	11.3
148.98825	1.2
151.00375	3.8
155.10794	2.3
158.64476	1.1
171.10284	58.4
172.10605	2.3
177.02469	1.2
179.07211	2.4
181.12354	1.5
183.01222	2.1
183.10297	4.5
185.11797	8.2
197.11842	3.3
199.13423	2.4
201.11363	10.3
211.13437	7.7
251.11362	1.6
275.20117	4.7
293.21268	20.2
294.21497	2.4
296.03271	2.7
310.96936	1.5
311.05563	4.5
311.16653	4.3
311.22311	100.0
312.22684	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	311.2229
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
57.03441	1.6
59.01379	20.0
65.00296	1.6
69.81545	1.4
74.35149	1.5
82.85596	1.6
95.01404	3.0
98.19847	2.8
108.93569	1.4
109.13673	1.4
115.51081	1.3
121.10226	2.3
121.54318	1.4
123.00851	1.5
125.09725	3.4
127.11346	7.4
128.15324	1.5
136.97194	1.3
137.09755	2.3
139.11301	16.2
149.02399	1.6
151.00357	3.4
151.11307	1.7
153.09254	1.7
155.10800	4.9
155.21808	1.4
161.04640	1.6
165.09291	2.0
171.10278	77.9
172.10597	3.3
178.70253	1.5
183.01193	3.2
183.10245	9.1
185.11838	19.7
201.11324	14.9
251.11366	1.9
275.20135	7.0
293.21249	23.7
296.03262	3.6
311.05801	3.7
311.16647	4.2
311.22293	100.0
311.29767	3.2
312.22681	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	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19028	5.8
59.01388	71.6
64.67124	4.8
69.45480	41.4
71.01394	47.6
72.99345	5.5
73.02951	23.0
78.09300	5.8
78.49213	5.2
85.02968	7.4
89.02455	100.0
95.01405	5.5
99.00910	45.4
101.02459	45.2
113.02444	10.5
131.03506	11.4
147.21565	4.8
149.02460	4.3
149.04556	29.4
151.00386	6.7
167.50687	5.1
179.07089	11.6
191.05577	13.1
217.45914	5.4
254.45062	5.1
267.06744	53.6
268.06998	5.9
311.05606	69.2
311.15152	6.3
312.05713	8.1
325.92963	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	311.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19028	5.8
59.01388	71.6
64.67124	4.8
69.45480	41.4
71.01394	47.6
72.99345	5.5
73.02951	23.0
78.09300	5.8
78.49213	5.2
85.02968	7.4
89.02455	100.0
95.01405	5.5
99.00910	45.4
101.02459	45.2
113.02444	10.5
131.03506	11.4
147.21565	4.8
149.02460	4.3
149.04556	29.4
151.00386	6.7
167.50687	5.1
179.07089	11.6
191.05577	13.1
217.45914	5.4
254.45062	5.1
267.06744	53.6
268.06998	5.9
311.05606	69.2
311.15152	6.3
312.05713	8.1
325.92963	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	311.0564
Annotation	5-Hydroxy-7-methoxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
57.80542	0.4
59.01383	1.8
65.00295	0.3
66.24517	0.4
69.27053	2.4
69.27469	1.0
72.91362	0.3
76.55798	0.4
93.03477	0.8
99.94794	0.3
108.02208	0.4
108.56608	0.4
120.99365	0.4
121.02976	1.0
135.00923	0.6
139.11301	0.5
154.04198	0.6
161.02519	0.4
167.05087	2.5
168.05774	0.6
171.04581	0.8
171.10294	1.0
183.04533	2.0
184.05222	0.5
195.04520	11.8
196.05299	4.0
199.04079	2.4
200.04819	1.1
205.58475	0.4
207.04521	0.9
209.06018	0.6
210.03275	0.4
211.04028	3.6
212.04701	0.4
213.01805	0.4
213.05644	0.6
215.03610	0.6
223.04019	6.8
224.04776	5.8
225.05307	0.5
227.03528	5.2
228.04262	2.1
238.06418	1.4
239.03447	2.2
240.04285	0.7
241.05089	2.8
251.03531	5.9
252.04091	0.8
253.04948	0.7
255.03020	4.9
255.05629	0.6
255.06538	0.4
256.03561	1.0
268.03766	0.7
281.04520	1.3
282.05380	9.7
283.02927	0.7
283.06134	15.5
284.03275	1.1
284.06512	1.7
293.21301	2.0
309.03845	0.5
310.04889	0.7
311.05655	100.0
311.22250	5.5
312.06000	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	311.0928
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
57.63121	0.5
59.01382	7.4
63.62156	0.6
65.00325	1.4
67.01888	0.7
71.56605	0.7
78.82893	0.6
93.03466	1.9
95.01389	2.3
107.01382	0.7
121.02964	1.6
123.00861	1.3
134.06108	1.7
136.01707	0.6
150.05659	3.5
151.00385	3.1
151.07333	0.7
168.91367	0.9
183.10217	2.5
195.04530	0.7
199.13356	0.9
209.06125	2.3
210.06721	0.8
212.17674	0.6
213.15039	1.1
222.06714	0.7
225.05637	0.9
237.05597	2.5
238.06300	5.7
239.07072	0.9
251.07217	2.3
251.11404	1.0
252.07893	1.9
253.05150	0.9
253.08685	3.2
255.03166	0.7
265.04984	0.7
266.05783	1.6
270.05435	0.8
279.06781	1.4
281.04599	1.6
281.08200	5.8
282.08917	2.7
283.09769	12.7
293.21136	1.1
296.03104	0.9
309.07635	1.1
310.08228	1.0
311.09271	100.0
311.22223	9.8
312.09607	8.8
312.22723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59384	1.0
59.01379	2.0
70.25101	2.9
72.41566	0.8
108.02184	1.1
109.02960	2.5
111.00945	0.9
122.36945	0.9
123.00881	0.9
123.04562	1.3
124.01685	9.4
125.02473	10.7
133.06567	1.5
136.01633	0.9
137.02475	6.8
138.03253	68.9
139.03598	3.3
149.02338	2.0
149.06133	1.0
150.03238	5.6
151.04013	4.2
151.07680	4.9
152.01146	1.7
153.01987	1.4
159.04590	1.5
161.06100	1.7
163.04076	1.1
164.01208	2.0
164.04846	6.2
177.05565	5.9
179.07166	100.0
180.07501	4.1
180.42281	1.0
187.04015	2.5
203.03529	2.4
205.05092	40.1
206.05396	2.1
210.92535	0.9
223.06140	31.8
224.06485	1.4
249.04248	4.9
263.18228	0.8
267.05109	52.6
268.05539	2.2
293.03033	2.8
311.04138	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	311.0411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.7
68.11040	0.5
69.04635	0.5
70.06592	2.4
72.05058	0.6
79.41048	0.5
108.02202	1.0
109.02969	1.8
110.80296	0.6
111.00892	1.9
124.01662	2.0
125.02462	2.1
133.06644	0.7
137.02470	4.2
138.03250	58.8
139.03596	1.6
149.02425	1.7
150.03227	5.0
151.04004	1.2
151.07642	3.9
152.01279	0.7
153.01935	1.5
161.06154	0.6
164.04799	5.2
169.01442	0.7
179.07161	100.0
180.07520	4.6
203.03543	0.8
205.05058	4.7
223.06142	29.3
224.06502	1.5
249.04060	2.2
267.02289	0.9
267.05118	18.8
268.05377	0.9
293.03058	3.6
311.04132	7.4
325.03564	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51050	1.6
59.01386	55.9
61.80900	1.8
67.01889	2.2
71.01390	30.1
71.32461	2.0
71.32780	2.1
72.99306	4.1
73.02947	3.3
74.20786	1.6
83.01382	1.8
85.02971	11.1
87.00895	3.4
89.02449	29.0
92.05066	6.6
93.03462	1.9
95.01392	3.1
95.26434	1.6
98.20585	2.1
101.02455	17.8
109.02946	5.3
111.00891	22.1
113.02450	13.9
116.05069	2.7
118.02988	6.0
119.03542	10.0
120.04563	9.1
121.02946	1.8
123.00876	4.8
123.04497	2.9
124.01645	5.6
125.02452	14.5
125.24202	1.8
130.42038	1.9
131.03699	6.3
131.04964	2.3
132.04556	14.8
133.02907	1.9
134.06100	4.1
137.02443	11.9
138.03244	53.8
144.04549	8.7
146.02496	63.8
146.03690	3.4
146.06152	2.9
147.03285	61.0
147.04472	3.5
148.04076	15.1
149.02489	3.8
149.06081	2.7
150.03236	5.4
150.06470	2.9
151.04021	4.6
151.07597	3.5
153.01942	1.7
158.06084	2.5
159.03249	2.6
159.04543	5.4
160.04047	90.1
161.02448	2.0
161.04459	4.9
161.06113	5.3
163.03850	1.8
164.04758	5.3
169.01422	11.9
172.04031	8.0
174.05620	12.7
175.03917	2.1
177.05585	8.7
178.05887	5.0
179.02252	8.4
179.05745	3.2
179.07147	69.6
181.01421	9.5
186.05630	5.2
189.01901	2.2
190.02704	2.7
191.03584	2.2
193.01482	3.1
202.05132	27.7
203.03491	3.8
205.05072	38.1
214.05115	9.3
222.04918	7.2
223.06122	12.8
232.06232	3.5
248.02716	4.3
249.04077	4.3
266.03824	3.5
267.05139	6.8
275.01968	2.5
289.04727	6.6
293.03052	100.0
310.09338	93.7
311.04089	29.8
311.09418	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	310.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01917	1.8
55.17574	1.8
55.77056	1.7
57.43771	1.7
58.00610	1.6
59.01388	57.0
67.01894	3.0
71.01391	33.7
72.99287	2.3
73.02954	3.9
75.00899	3.5
81.59856	1.7
83.01391	2.3
85.02960	10.7
85.03394	1.6
86.71690	1.6
87.00894	5.2
89.02448	28.6
92.05077	8.3
95.01389	3.3
97.02970	1.6
98.20639	7.3
101.02453	17.9
109.02950	5.9
111.00896	25.2
113.02456	12.9
116.05037	2.7
118.02995	4.9
119.03503	12.2
120.04578	9.3
123.00893	3.4
123.04550	1.7
124.01654	3.3
125.02472	13.6
130.06673	2.3
131.03679	7.3
132.04567	13.7
134.06142	3.3
137.02470	12.0
138.03241	54.5
143.03568	1.9
144.04521	9.5
146.02499	69.8
146.06129	3.3
147.03296	69.8
147.04468	4.1
148.04115	16.3
149.02422	2.9
149.06114	3.9
150.03229	6.6
151.04031	5.9
151.07657	6.5
158.06105	2.3
159.03287	2.4
159.04504	3.0
160.04054	89.2
161.04414	3.9
161.06056	4.6
162.05629	2.8
163.03860	1.9
164.04788	5.1
169.01451	13.3
172.04129	8.9
174.05606	14.6
175.04008	2.0
177.01933	2.1
177.05609	11.0
178.05917	4.0
179.02296	8.8
179.05637	5.2
179.07143	64.4
181.01433	8.5
186.05647	4.1
187.03986	3.8
190.02739	3.3
193.01308	2.9
202.05096	26.1
203.03491	4.1
203.05281	2.3
205.05075	34.8
214.05168	9.1
221.04634	2.3
222.04875	5.2
223.06122	8.8
232.06235	3.7
249.04008	6.7
266.03906	5.2
267.05115	5.8
285.90485	1.7
289.04559	2.8
293.03058	100.0
310.09354	94.1
311.04138	35.3
311.09714	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	309.2076
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
57.03461	0.8
59.01390	8.2
71.01397	1.1
77.77048	0.7
88.04059	0.7
97.06580	2.3
98.03695	0.8
99.00887	1.3
102.92904	0.7
105.00131	0.7
111.00803	0.7
113.09754	3.7
115.07624	2.2
121.03040	0.8
123.04479	0.9
125.06063	1.7
141.09219	2.9
151.03986	3.1
151.07651	8.1
152.08429	6.3
165.12875	5.2
167.10895	0.9
167.14426	1.4
181.12390	3.6
183.13896	1.5
184.07428	1.0
193.12354	1.8
195.13890	3.1
209.15508	10.6
211.13432	6.1
218.99380	0.9
221.15379	2.3
229.14378	1.2
240.13637	2.3
241.14374	1.0
247.20772	4.5
252.10014	1.6
263.20099	1.0
265.18005	2.3
265.21487	0.9
273.18588	3.2
281.21130	1.1
291.19699	50.9
292.19885	3.5
309.17072	15.6
309.20676	100.0
310.17532	1.5
310.21042	10.2
330.02112	0.8
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	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01381	22.3
59.31263	1.9
61.10844	2.2
69.03495	2.2
69.21482	2.0
71.01394	4.8
71.05022	4.1
71.57298	3.1
78.41195	1.9
83.05067	3.2
85.02943	2.6
95.01379	4.2
96.82454	2.3
99.00889	7.1
109.03018	2.7
111.08167	37.2
112.08473	2.7
114.09097	2.1
124.37307	2.1
127.31316	2.1
132.49149	2.5
137.09799	2.6
142.05945	2.4
142.07196	2.1
143.07597	2.1
151.03992	15.3
151.07668	33.5
152.08441	30.5
156.80701	2.3
161.04510	4.4
169.12328	7.2
171.10303	5.8
175.00304	2.2
180.29723	2.1
181.12309	3.9
183.13826	3.5
184.07375	6.0
185.11893	2.3
190.09988	4.2
193.08737	4.3
195.13852	3.1
197.11848	100.0
198.12164	6.7
198.40273	2.1
199.13420	5.3
208.11070	6.3
209.15495	56.8
211.13496	10.3
219.14243	2.7
223.17015	3.6
225.14941	4.0
247.17009	4.1
251.16507	5.2
252.10065	11.0
263.20212	4.4
265.18167	18.2
276.89444	2.2
281.44669	2.4
291.16470	3.3
291.19708	32.1
292.19937	6.7
309.03818	2.8
309.17065	83.9
309.20734	51.1
310.17444	8.3
310.20917	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	309.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.3
59.01378	12.7
69.03444	3.9
69.36922	10.6
71.01397	3.2
73.02953	1.1
83.05039	1.9
86.21444	1.1
93.03451	1.4
95.01384	1.5
97.06601	1.6
99.00878	6.6
101.06097	2.6
107.08672	1.2
111.08168	3.3
115.07661	2.8
119.08650	8.8
125.09721	4.8
127.11238	1.3
135.08136	2.0
137.06052	1.5
137.09731	17.3
138.10020	1.8
139.11328	1.5
149.09761	1.4
151.03999	14.7
151.07657	35.6
151.11275	4.3
152.08440	26.6
153.08916	2.2
155.10793	2.1
162.10529	12.3
167.10783	4.3
171.10278	56.3
172.10565	2.5
179.07153	2.2
179.10855	1.6
180.07919	3.7
183.10258	2.3
183.13879	7.4
184.07404	3.3
185.11836	12.8
190.10016	6.5
193.08694	6.4
195.10339	1.9
197.11835	7.7
201.11334	5.1
207.10213	1.5
208.11069	7.4
209.15477	51.0
210.15779	2.6
211.13286	1.7
213.11447	6.2
219.17517	11.7
219.55299	1.2
229.19511	1.7
239.09666	1.2
247.17032	4.6
252.10098	8.8
265.18069	13.9
273.18597	6.0
277.80991	1.2
281.17636	6.4
291.16251	3.6
291.19611	27.3
292.19940	2.7
302.43256	1.3
309.17059	100.0
309.20685	22.8
310.17587	8.7
310.20724	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
56.24133	1.3
56.81401	1.2
58.00610	1.2
58.61620	1.3
59.01391	11.4
69.03463	1.8
69.34164	8.5
70.53850	1.1
71.01398	2.9
72.77884	1.3
73.02930	1.6
82.77008	1.1
93.07105	1.4
95.01411	1.5
96.96006	2.1
98.33263	1.4
99.00894	4.2
101.02456	2.6
109.06590	1.7
111.08173	29.1
112.08544	1.6
113.02420	1.4
119.08638	1.3
121.02885	1.2
127.07643	3.0
137.09779	2.8
138.44145	1.3
147.00940	1.3
151.04062	10.4
151.07678	16.3
151.11246	2.2
152.08472	14.1
153.12842	1.7
161.72028	1.2
169.12402	8.6
170.12630	1.2
170.95010	1.3
171.10242	3.5
181.12337	2.4
183.13963	2.1
184.07417	2.7
197.11853	100.0
198.12184	4.9
199.13382	3.5
208.10976	2.3
209.15474	25.2
209.18690	1.3
211.13451	10.9
225.15030	2.9
246.98828	3.0
247.17163	2.2
252.10066	4.1
263.20172	8.1
265.18188	8.3
273.18695	2.9
291.19693	20.0
309.17081	44.5
309.20758	34.6
310.17508	3.5
310.20871	2.6
329.40829	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2072
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
54.20539	0.9
57.03463	1.1
58.00582	1.1
59.01388	7.8
65.53483	1.0
69.30465	3.8
69.30892	3.6
71.01387	2.2
73.02966	1.1
83.05025	1.2
96.96019	1.3
97.06586	0.9
98.19927	1.9
101.02460	1.1
109.06555	2.0
111.08174	31.1
127.07635	2.8
151.11263	1.6
151.26784	0.9
153.12865	1.8
154.49899	1.0
169.12338	6.8
175.00311	1.0
179.10742	1.3
181.12332	3.1
183.13892	1.6
186.04895	0.9
193.12474	1.2
197.11847	100.0
198.12161	6.7
199.13342	4.7
209.15338	1.1
211.13423	11.2
227.12907	3.3
263.20111	5.5
265.18143	2.4
273.18564	1.6
291.19717	18.5
309.17352	1.9
309.20712	38.9
310.20923	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	309.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81091	1.0
59.01386	100.0
71.01401	2.2
72.99281	0.9
78.95914	1.7
79.95753	4.1
80.96527	1.6
85.02979	1.1
89.02454	1.0
95.90115	0.9
96.96023	35.3
98.95600	6.0
99.96874	1.0
101.02432	2.2
107.01433	1.6
113.02441	1.3
125.02413	5.1
149.06090	1.3
153.01958	1.1
168.00554	1.0
169.01430	6.2
175.04102	1.1
177.05652	1.5
191.03607	1.3
203.03339	2.0
221.04547	2.9
223.06477	4.2
227.12668	1.0
229.14510	8.5
229.48286	1.4
232.03864	2.0
233.00964	1.7
233.03825	1.1
249.13493	4.7
265.03433	1.6
288.03607	1.3
309.01407	1.6
309.06940	1.7
309.10275	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	309.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81091	1.0
59.01386	100.0
71.01401	2.2
72.99281	0.9
78.95914	1.7
79.95753	4.1
80.96527	1.6
85.02979	1.1
89.02454	1.0
95.90115	0.9
96.96023	35.3
98.95600	6.0
99.96874	1.0
101.02432	2.2
107.01433	1.6
113.02441	1.3
125.02413	5.1
149.06090	1.3
153.01958	1.1
168.00554	1.0
169.01430	6.2
175.04102	1.1
177.05652	1.5
191.03607	1.3
203.03339	2.0
221.04547	2.9
223.06477	4.2
227.12668	1.0
229.14510	8.5
229.48286	1.4
232.03864	2.0
233.00964	1.7
233.03825	1.1
249.13493	4.7
265.03433	1.6
288.03607	1.3
309.01407	1.6
309.06940	1.7
309.10275	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	309.2074
Annotation	Gallicynoic acid D
Peak:m/z	Relative Intensity
57.03444	1.6
59.01390	8.8
69.03453	1.4
71.01369	2.3
83.05003	1.3
91.01886	1.1
91.47733	1.1
93.07080	1.3
96.96063	1.4
101.02425	1.3
109.06570	1.6
111.08168	35.2
112.08489	1.6
115.34340	1.0
127.07679	2.8
133.56049	1.1
153.12733	2.5
169.12392	5.8
171.10228	3.3
181.12366	1.7
183.10233	2.3
183.14073	1.6
197.11847	100.0
198.12193	5.7
199.13377	4.4
203.99513	1.0
211.13374	9.3
221.15540	1.8
227.12813	3.7
239.16422	1.9
246.98955	1.5
262.99570	1.3
263.20200	5.9
265.18063	3.7
273.18594	2.4
291.19666	20.9
292.20105	1.9
309.17154	3.4
309.20685	42.2
310.21060	2.3
311.43515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2283
Annotation	Palmityl Trifluoromethyl Ketone
Peak:m/z	Relative Intensity
55.94481	0.4
59.01375	0.5
61.26021	0.4
71.01388	0.4
71.40622	0.6
91.01923	1.0
113.02478	0.4
114.36853	0.4
119.01421	0.8
135.00882	0.5
147.00916	0.7
163.00433	0.5
189.01994	0.4
216.97710	1.0
234.98793	0.7
263.01926	0.7
288.22092	0.4
288.96268	0.6
306.97403	0.8
307.22824	100.0
308.07684	0.4
308.23184	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	309.0255
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	12.4
69.99898	4.8
71.01370	5.7
77.47050	1.4
79.05530	4.5
80.52061	1.2
89.02443	4.9
93.07089	1.3
95.01372	2.0
101.02427	4.2
105.07072	2.1
107.05053	2.0
113.02441	3.3
115.05591	2.2
118.04269	2.5
119.03535	1.9
121.02988	1.2
121.06641	5.5
130.04257	1.2
131.05046	8.4
131.06644	1.2
133.06587	2.5
134.03748	4.8
137.02435	2.1
146.57661	1.1
149.06100	52.6
150.06418	3.7
159.04533	13.8
162.03238	10.9
165.05606	1.2
175.03992	1.9
177.05592	100.0
178.05975	5.8
193.05090	2.3
221.04561	62.8
222.04823	3.4
245.97597	1.1
247.02348	1.4
265.03549	85.2
266.03802	4.4
309.02487	2.1
309.11938	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	309.077
Annotation	Ocophyllal A
Peak:m/z	Relative Intensity
52.42500	1.0
59.01386	10.2
59.92133	1.0
62.36219	1.0
68.96623	1.1
71.01380	2.0
71.57559	1.6
89.02496	1.7
91.01881	1.1
93.03471	3.7
111.00826	1.0
121.02959	3.2
133.02899	1.1
150.87349	1.0
171.10286	1.1
193.06514	1.4
195.08101	1.2
207.08098	1.2
222.06902	1.6
223.07597	2.7
233.05997	2.4
235.07608	2.3
237.05508	1.2
246.32405	1.0
246.98856	1.0
247.21040	1.1
251.07089	6.0
261.05621	2.2
263.07108	4.7
279.06644	4.2
280.07361	6.0
281.08185	12.1
282.08435	1.4
290.05844	1.1
291.06754	4.8
291.19693	10.9
309.07715	100.0
309.17294	1.7
309.20670	19.1
310.08051	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1194
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01868	1.5
57.03454	1.1
58.00592	3.4
59.01386	99.7
62.06884	0.9
69.39956	5.2
69.40361	1.9
71.01391	38.8
72.99316	4.6
73.02935	2.7
83.01385	1.6
83.05037	1.6
85.02959	8.7
85.28297	0.9
87.00876	1.5
89.02454	37.2
95.01382	2.3
98.19880	1.8
99.04489	1.0
101.02460	26.4
102.02841	0.9
111.04556	1.4
113.02470	15.4
119.03519	17.3
129.04695	1.6
129.05605	15.4
131.05051	1.6
134.47581	0.9
140.60764	0.8
143.03545	1.5
147.06660	2.6
149.04916	0.9
149.06093	3.8
159.04541	2.4
161.04535	2.4
162.03207	2.7
177.05574	10.3
178.40840	0.8
179.05615	1.1
192.00816	1.0
221.04555	5.8
249.09801	1.8
265.03503	6.7
309.11938	100.0
310.12393	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	309.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.7
57.03448	1.3
58.00593	2.0
59.01387	88.3
60.01715	1.1
63.08912	1.0
66.77175	1.3
70.69691	2.3
70.70039	1.7
71.01393	37.8
71.05009	1.1
72.99316	4.4
73.02959	1.2
83.01401	2.6
83.04990	1.7
83.29237	1.2
85.02972	9.6
87.00882	1.9
89.02455	39.8
92.72045	1.0
95.01395	2.2
99.00896	2.6
99.04526	1.2
101.02454	26.6
111.04552	1.3
113.02478	16.4
119.03524	17.3
125.02480	2.0
129.05603	15.7
131.05080	2.2
133.06596	1.5
143.03548	2.0
147.06635	2.9
149.04971	1.2
149.06129	8.3
156.31180	1.3
158.03873	1.6
159.04501	3.2
161.04541	3.0
162.03224	4.7
175.04005	3.4
177.05582	24.2
179.05606	1.6
203.03593	1.2
221.04543	9.0
249.09677	1.8
265.03531	11.5
309.11932	100.0
310.12296	6.9
332.17615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.14
Annotation	NSC-224070
Peak:m/z	Relative Intensity
55.01878	1.3
56.03983	0.8
57.03430	1.2
58.00589	1.5
59.01386	48.8
67.23705	0.9
69.46260	6.0
71.01009	1.5
71.01391	23.8
72.99322	2.2
73.02943	2.5
85.02968	5.4
85.70572	0.7
87.00909	1.8
89.02460	19.4
95.01389	2.0
96.96042	1.5
99.00885	0.8
99.08171	23.7
101.02460	15.1
103.87008	0.7
113.02467	8.7
119.03515	8.6
125.02454	0.8
127.07661	3.3
129.09236	2.4
138.53427	0.8
141.09253	2.0
143.03490	1.3
145.08725	71.8
146.09088	2.0
147.04582	0.9
161.04546	0.8
163.04047	0.9
171.03021	0.8
173.02423	0.9
175.04034	3.2
187.09782	2.1
191.03496	3.5
219.02994	6.3
263.01990	2.4
307.01004	2.6
307.14023	100.0
308.14362	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	307.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10574	1.1
59.01385	100.0
59.80027	1.0
62.58615	1.0
62.93307	1.1
63.40003	1.1
64.26479	1.0
65.00329	2.4
67.91828	1.0
69.16685	1.0
70.83604	2.6
71.01402	5.3
73.02981	1.2
81.07154	1.1
83.01395	1.4
85.02970	1.5
89.02439	5.6
95.05059	1.8
96.96020	42.7
98.95613	8.2
101.02441	4.3
113.02486	2.0
117.03439	1.9
119.03504	1.6
119.05048	2.2
120.99671	51.9
127.07685	1.4
135.04555	2.7
145.02965	4.4
145.08777	1.4
147.04539	2.4
148.92622	1.2
157.97961	1.1
161.02388	1.3
163.04030	6.7
173.02362	1.3
175.03984	2.5
189.01924	7.6
191.03542	8.0
193.01408	2.4
211.44922	1.1
217.01450	12.7
219.03032	12.1
225.11414	2.2
227.12868	1.4
235.02470	5.2
245.00909	22.8
246.01157	1.6
247.11751	1.4
263.01971	31.8
263.07773	1.2
264.02307	2.2
307.00946	5.6
307.09052	11.9
307.14096	9.2
308.08765	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	14.6
57.03449	7.8
58.00599	2.6
59.01386	74.5
60.01737	0.9
61.81033	0.7
69.03456	1.7
69.82254	2.9
71.01392	98.9
71.05048	1.3
72.01745	0.8
72.99319	4.1
73.02955	43.8
74.03300	0.8
75.00890	3.0
78.32981	0.6
79.91972	0.7
81.03484	0.9
83.01395	21.1
84.02182	1.1
85.02962	52.2
86.00124	2.2
87.00894	6.6
89.02460	18.9
95.01391	8.3
97.02978	3.2
99.00891	14.9
101.02455	100.0
102.02779	2.2
102.20535	0.7
104.73425	0.7
111.00887	4.2
113.02465	42.1
119.03550	5.3
123.83654	0.7
125.02452	3.1
129.01971	2.5
131.03487	0.9
143.03546	4.0
145.12381	4.7
159.03012	12.4
161.04565	33.6
162.04904	1.1
167.68230	0.7
175.04028	1.3
178.65677	0.8
202.64246	0.7
205.03604	1.0
215.12892	0.7
219.03001	3.1
247.46062	0.7
259.70154	0.9
263.01947	2.4
307.00983	2.9
307.14166	1.2
307.17615	25.3
308.17981	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0859
Annotation	CHEBI:91169
Peak:m/z	Relative Intensity
50.30597	0.5
59.01385	35.2
63.18537	0.4
69.74756	1.0
69.75167	1.9
79.95753	1.1
96.96020	100.0
97.29665	0.5
100.55261	0.6
123.08162	0.8
145.03009	0.8
167.10796	2.0
173.02290	0.6
175.03998	1.8
191.03523	2.0
219.03024	3.9
227.12909	23.8
228.13222	2.0
263.01962	1.4
307.01248	3.6
307.08591	78.5
308.08917	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	307.1226
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14231	0.3
59.01386	1.3
59.18038	0.3
59.96738	0.4
63.41941	0.3
70.58056	0.9
71.01386	1.1
74.99084	6.4
85.02988	0.5
91.02255	2.7
93.00185	1.7
98.20023	0.4
101.02460	0.8
101.72245	0.3
119.01419	0.9
143.05411	0.5
147.00856	0.5
149.00961	3.2
159.08490	7.2
161.06450	2.1
163.00412	0.5
190.99959	0.5
192.98190	0.9
193.01483	0.5
206.99701	1.6
209.01302	3.0
216.97804	0.8
217.07182	0.9
218.99460	0.4
223.02850	51.4
224.02933	4.1
241.03844	0.7
248.46875	0.4
263.02011	1.4
275.05942	0.5
288.96448	0.5
289.07458	2.1
291.09125	100.0
292.09274	11.6
306.97562	0.5
307.01166	0.5
307.12335	2.6
309.10150	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01370	1.0
59.96733	0.4
70.29973	0.4
70.30343	1.1
71.01379	0.5
71.46230	0.3
74.99080	6.5
88.91884	0.3
91.02239	2.2
93.00148	1.3
119.01386	0.5
140.09689	0.3
143.05374	0.5
147.00920	0.4
149.00977	2.7
159.08492	6.5
161.06387	1.8
163.00388	0.5
192.98128	0.6
206.99707	1.3
209.01201	1.9
210.01430	0.3
216.97725	0.4
217.07307	0.6
219.03040	0.4
222.09114	0.4
223.02846	49.0
224.02919	4.0
241.03938	0.6
263.01791	0.6
289.07639	2.3
291.09122	100.0
292.09238	11.4
306.97531	0.4
307.00900	0.5
307.12244	3.3
309.10339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0463
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	8.3
59.24763	0.7
65.00322	1.8
69.03439	0.7
70.94719	0.7
71.01382	1.4
72.99337	0.8
73.02954	1.4
74.99093	0.9
85.02972	0.8
85.80087	0.6
91.05563	0.8
93.03493	1.2
95.01391	1.2
96.96021	9.4
98.95600	2.3
101.02447	0.8
107.04997	1.6
109.02960	5.1
117.03455	1.9
117.07110	0.8
119.05038	4.2
120.99651	1.1
121.02934	1.6
123.00932	1.2
124.01657	1.8
125.01627	1.0
125.02458	7.1
127.05536	1.2
129.03471	1.1
129.07076	2.6
130.04190	0.9
131.04991	1.4
133.02991	1.2
133.06538	0.8
135.04538	2.1
135.98328	2.6
136.99196	0.6
137.02449	1.1
142.03342	0.7
145.02962	4.4
145.06552	2.4
145.08690	0.6
146.02402	0.7
147.04559	4.3
149.02412	1.2
155.05032	1.7
156.05835	1.8
157.05389	1.0
157.06609	12.8
158.03708	1.5
159.04475	2.4
161.02429	3.0
163.04054	4.6
171.04549	1.9
173.02455	1.3
173.06062	6.2
174.03152	2.1
175.04044	7.7
176.01176	1.2
177.01888	2.0
183.04523	1.9
185.02412	0.9
189.01930	6.2
189.05423	1.0
190.02763	5.6
191.03523	7.2
192.00580	1.3
193.01418	5.1
194.24127	0.7
199.04057	1.3
200.04820	0.8
201.01921	1.0
201.05592	18.3
203.03519	9.2
204.04135	0.8
205.05147	0.8
207.02905	1.1
217.01433	9.8
217.04990	2.5
219.03015	16.6
219.06827	1.3
221.00771	0.7
229.57095	0.7
233.00861	0.9
235.02510	5.4
235.06010	1.1
245.00926	18.4
245.04665	1.3
246.01163	1.1
248.03099	0.8
262.99323	1.2
263.01950	16.5
263.05573	20.4
264.02167	1.2
264.06067	1.4
288.99802	1.4
307.01035	9.7
307.04556	100.0
308.01492	1.5
308.04813	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	307.0462
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
52.31573	0.6
59.01383	3.0
65.00325	0.6
69.03445	0.6
69.54641	1.3
69.55048	2.8
71.01376	1.4
72.99299	0.5
75.50537	0.5
79.95734	0.6
81.03454	0.6
82.02986	1.1
85.02933	0.7
91.05548	1.0
93.03454	2.1
95.01386	0.6
96.96017	10.1
98.02459	0.7
98.95591	2.0
101.03949	0.9
107.05045	1.7
109.02937	1.4
115.05535	0.6
117.03451	1.7
117.07089	0.8
119.05059	3.3
120.99610	0.6
121.02980	1.2
123.00869	1.4
123.04519	0.5
124.01641	1.2
125.02465	7.1
127.05540	1.1
129.07124	2.9
130.04262	1.1
131.05040	1.4
133.02945	1.1
135.04507	1.9
135.98294	1.2
137.02409	0.9
145.02959	2.5
145.06610	3.0
147.04568	4.2
149.02415	0.7
155.05022	2.2
156.05777	1.6
157.06598	14.8
158.03748	0.9
158.06952	0.7
159.04500	1.5
161.02429	1.4
161.06055	1.4
163.04018	3.1
164.01108	0.8
165.01903	1.0
171.04568	1.5
173.02390	1.4
173.06071	6.3
174.03188	1.1
175.03993	5.6
176.01030	0.6
177.01903	2.1
179.03496	0.8
183.04504	1.7
185.02448	1.2
189.01970	3.1
189.05550	0.6
190.02731	6.4
191.03506	5.1
192.00606	2.2
193.01477	3.2
199.03987	1.1
200.04674	1.1
201.01813	0.8
201.05600	20.2
202.05879	1.2
203.03513	9.6
204.04143	0.9
205.01361	1.3
207.03021	1.3
217.01459	5.0
217.05052	3.6
217.48193	0.6
219.02997	12.8
227.03619	0.6
235.02489	7.4
235.06088	0.7
236.02783	0.6
245.00920	12.1
245.03659	0.8
245.04619	1.2
263.01965	11.5
263.05594	21.9
263.08386	1.2
264.02277	0.5
264.05872	0.8
279.20688	0.6
307.01102	7.2
307.04584	100.0
308.04941	6.3
317.00375	0.6
323.30060	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0463
Annotation	Fulvic acid
Peak:m/z	Relative Intensity
52.06881	1.0
52.70154	0.8
59.01386	9.7
65.00340	2.2
66.27895	1.0
67.01904	1.2
69.03449	1.4
69.60619	6.6
71.01383	3.9
72.99316	1.2
73.02948	1.2
74.99107	2.4
80.96504	1.1
81.03454	1.4
83.01390	1.5
83.59516	0.9
83.87777	0.9
85.02957	3.2
87.00880	1.8
93.03481	5.6
95.01392	1.9
96.96011	4.4
97.02950	1.1
98.19980	1.5
98.95603	2.1
99.00929	1.6
101.02451	2.8
103.05563	1.0
105.03440	1.5
107.05062	2.3
109.02981	3.4
111.00906	1.0
112.03980	1.2
112.07693	1.0
113.02440	3.0
114.60329	1.0
117.03445	3.1
119.05046	7.7
120.99655	5.2
121.02964	5.8
123.00897	3.3
123.04516	1.0
124.01691	2.4
125.02477	10.7
129.03458	1.8
130.04190	1.6
131.05040	2.4
132.02229	1.0
133.02925	3.3
135.04530	3.7
137.02423	6.5
143.05026	1.4
145.02965	9.6
145.04961	1.3
146.03757	1.8
147.00874	2.2
147.04520	12.8
148.01656	1.4
149.02454	6.8
150.03209	1.0
158.03731	1.8
159.04507	4.8
161.02463	7.3
161.04646	2.1
161.06065	2.4
162.03050	1.0
163.00377	4.8
163.03998	7.5
164.01097	4.0
164.41814	1.0
165.01949	12.8
171.04539	1.1
173.02452	4.4
173.06061	2.1
174.03197	4.4
175.04018	17.6
176.01030	1.7
177.01971	6.6
178.02692	2.8
179.03479	2.2
185.02455	2.9
189.01952	17.9
189.05495	2.5
190.02740	19.4
191.03529	18.8
192.00703	6.9
192.04143	3.3
193.01440	20.1
194.01791	1.2
199.04028	2.2
200.04729	1.3
201.01915	4.3
201.05563	4.1
202.02612	1.9
203.03531	24.5
204.04146	2.3
205.01343	3.5
205.05037	1.6
207.03050	2.1
209.00929	8.1
217.01505	12.7
217.05074	12.4
219.02991	27.8
219.06526	1.7
220.03548	3.0
221.00958	2.7
227.03430	1.7
233.00926	14.5
235.02492	24.4
235.06128	3.5
245.00919	21.2
245.04532	3.2
247.02417	2.3
248.03285	11.3
263.01956	73.5
263.05585	92.1
264.02740	4.9
264.05859	7.4
289.00021	2.5
307.00940	22.5
307.04596	100.0
307.08066	4.4
307.17697	1.7
308.01443	2.0
308.04898	7.6
308.11444	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	307.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31261	0.5
50.36281	0.5
59.01357	0.9
59.98104	0.5
72.64066	0.5
84.36493	0.5
91.01885	0.6
93.03474	1.0
109.02928	1.1
117.03482	1.2
119.04981	1.2
120.99707	0.5
121.02932	2.6
133.03015	0.6
135.04501	1.8
137.02458	2.6
139.03969	0.6
145.02959	2.0
147.00806	0.6
147.04498	0.8
148.01677	1.2
149.02446	5.5
151.04041	0.6
161.02466	1.1
163.00322	0.6
163.04015	3.6
164.01105	0.5
165.01935	4.7
172.85417	0.5
173.02423	1.1
177.01918	1.6
189.01915	2.9
190.02760	0.6
191.03506	5.3
192.00676	9.7
193.01436	34.4
194.01775	1.5
201.02019	0.9
207.02943	1.8
217.01447	4.6
219.02972	2.1
221.00983	2.4
222.38162	0.5
224.60910	0.5
235.02501	32.5
236.02821	1.5
245.00909	5.2
261.00455	0.7
263.01984	100.0
264.02383	4.8
275.10355	0.5
307.00992	24.0
308.01337	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	305.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	6.1
55.04485	1.1
56.17362	1.0
57.03444	8.0
58.00598	4.6
58.14494	0.9
59.01385	95.5
61.82796	1.1
63.23344	0.9
69.03458	1.7
71.01390	76.8
71.10741	1.1
72.99311	4.5
73.02950	20.4
78.95907	7.6
79.95752	1.9
80.96542	2.1
81.03475	2.3
81.07101	3.0
83.01395	14.7
84.02205	1.2
85.02962	33.2
86.00115	1.9
87.00880	5.4
88.04037	3.4
89.02452	34.0
90.91526	1.0
93.03474	2.8
95.01402	8.2
95.05054	2.3
96.96023	100.0
97.02962	2.8
97.06634	1.6
98.20626	1.2
99.00909	8.1
101.02456	68.3
102.02809	1.3
105.03493	1.6
106.94726	1.1
109.02959	8.3
111.00866	1.7
111.04546	2.7
113.02459	31.2
115.00395	2.9
119.03530	15.1
120.99663	3.1
121.02969	2.1
123.00893	5.9
123.04534	1.4
124.01672	2.2
125.02460	42.6
125.06087	3.4
131.03529	1.4
131.05063	1.0
132.03029	3.7
133.02971	4.4
137.02458	13.9
138.05589	4.9
139.04028	10.7
143.03519	3.9
143.07144	3.7
144.04533	1.8
146.06119	3.1
149.02448	1.7
149.06102	1.2
159.03015	3.5
159.04504	1.0
161.02553	6.5
161.04578	17.2
163.00397	3.7
163.04117	1.2
164.01118	3.3
165.01968	11.1
167.03490	9.7
175.03958	2.2
177.01976	5.3
177.05577	2.1
178.99809	1.4
179.03505	8.5
181.12396	1.5
189.01936	3.2
189.06767	2.7
190.05038	1.4
191.07191	1.4
201.05533	1.2
203.03499	2.0
204.04327	2.0
205.01448	3.6
217.01474	2.6
219.06651	7.7
221.04599	4.4
225.11363	15.3
233.00923	4.8
233.08469	1.1
242.99387	1.6
261.00452	22.9
261.03510	1.5
261.05225	1.5
261.07950	19.9
261.13477	10.8
262.00647	1.4
287.06152	1.5
304.99347	5.2
305.03195	5.5
305.06934	82.4
305.12421	43.5
305.16068	5.1
306.07205	5.1
306.12759	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	305.1608
Annotation	Creoside II
Peak:m/z	Relative Intensity
52.58999	1.0
53.41907	1.0
55.01889	14.3
56.48042	1.0
57.03459	8.5
58.00593	3.3
59.01386	78.8
60.01716	1.0
64.80762	1.0
69.03456	1.9
69.72235	4.9
69.72627	2.1
70.02052	1.0
71.01391	100.0
72.99307	3.6
73.02953	38.8
75.00877	2.1
83.01397	22.9
85.02963	54.5
85.06599	1.3
87.00902	6.1
89.02449	13.7
95.01393	8.1
97.02969	1.8
99.00900	19.3
101.02456	97.1
102.02778	1.8
111.00909	2.3
113.02461	46.1
119.03513	3.3
125.02486	2.4
129.01970	2.5
143.03506	4.3
143.10794	4.9
159.02982	9.7
161.02522	2.6
161.04579	26.8
163.15717	1.1
189.01918	2.0
201.01912	1.0
217.01427	9.1
245.00867	8.3
259.98813	1.3
273.00403	17.1
305.03024	9.6
305.16068	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	305.0702
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12828	0.5
54.31984	0.5
59.01386	39.0
63.68914	0.5
64.48578	0.5
70.07570	2.2
75.50389	0.5
79.95752	2.2
83.79907	0.4
84.61738	0.5
96.96020	100.0
97.06613	1.0
102.77729	0.5
108.50029	0.4
135.08115	1.1
147.08139	1.7
161.79495	0.7
165.09233	0.7
225.11336	21.2
226.11720	0.6
305.07031	94.3
306.07291	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	305.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02655	1.7
53.86259	1.8
55.01884	5.1
57.03443	13.0
58.00594	1.9
59.01388	41.1
60.01748	1.6
65.53895	1.8
68.99826	38.5
69.03451	1.7
71.01388	71.9
71.56429	1.9
72.01710	2.4
72.99316	3.3
73.02956	24.6
74.99109	1.7
75.00881	4.2
77.33005	1.9
78.98601	2.9
81.03457	4.6
83.01392	17.2
85.02962	41.2
86.00068	1.9
87.00873	13.1
87.04559	2.0
89.01147	1.8
89.02465	7.3
93.03446	2.5
95.01420	9.9
95.05055	4.8
96.95446	1.6
96.96037	6.7
97.02965	10.3
99.00882	12.7
99.04525	3.7
101.02454	59.0
107.05013	2.1
109.02958	14.2
110.69303	1.7
111.04509	5.7
113.02467	33.2
113.99622	1.9
115.00419	2.1
115.04085	1.7
120.99684	6.4
121.02980	3.6
123.00880	6.6
123.04514	3.0
124.01686	5.0
125.02460	100.0
125.06021	4.2
126.02784	4.3
128.03575	2.4
129.02005	2.5
135.04605	3.1
135.73747	2.1
137.02464	26.5
139.04031	23.4
141.05545	2.0
142.02744	14.8
143.03503	8.9
143.04634	4.5
145.05125	8.2
147.04533	1.9
149.02383	2.0
149.06058	3.3
159.02994	7.1
161.02434	6.1
161.04568	56.7
161.05907	3.4
162.04927	2.0
164.01176	6.9
165.01968	21.0
167.03523	22.0
174.01692	3.5
175.03928	2.4
177.01924	4.0
177.05647	3.3
179.03525	20.7
179.05022	2.8
185.04594	2.3
189.01936	2.7
191.03462	1.7
191.07135	3.3
201.05597	4.0
203.03558	2.8
204.04196	4.1
205.01367	2.0
219.06677	18.6
221.04526	7.3
235.08253	83.5
236.08681	4.8
245.06795	2.7
261.00443	9.7
261.07745	8.2
263.07785	2.1
304.99600	1.9
305.06616	43.8
305.09100	29.9
306.06619	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	305.067
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
52.05705	0.7
57.03455	7.9
59.01393	1.4
60.33640	0.8
65.25106	0.8
69.03462	1.7
69.41721	1.2
69.42132	3.9
69.51389	0.7
71.01402	0.8
81.03462	4.9
83.01407	4.4
83.05017	0.9
93.03476	2.5
95.01395	3.0
95.05047	3.3
97.02948	4.4
98.20641	1.4
100.23896	0.8
109.02965	15.5
111.04559	4.3
121.02982	2.6
123.00886	6.7
123.04514	1.8
124.01673	4.8
125.02468	100.0
126.02828	2.1
131.05038	0.9
133.06606	1.4
135.04562	1.6
137.02469	30.9
138.03236	1.4
139.04039	21.3
140.04324	0.8
147.04561	1.0
149.02475	1.0
149.06116	2.2
151.04077	2.4
159.04543	2.1
161.02486	4.2
162.03278	1.3
164.01169	8.6
165.01952	22.2
166.02635	1.1
167.03517	22.3
173.06166	1.2
175.04013	2.6
176.04848	1.0
177.01929	2.6
177.05577	4.6
178.02742	1.0
179.03510	21.0
179.04971	1.4
181.05092	0.8
189.05598	1.0
191.07158	2.4
199.82077	0.9
201.05557	1.4
203.03537	2.8
204.04239	3.2
218.05835	1.5
219.06667	17.8
219.51282	0.7
221.04565	7.5
227.46428	0.7
233.08118	0.9
235.38167	0.8
237.07536	1.2
243.06567	1.5
253.48120	0.7
261.00641	0.9
261.07727	6.7
287.05676	0.9
300.32388	0.8
305.06677	60.2
306.07016	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	305.0669
Annotation	(-)-Epigallocatechin
Peak:m/z	Relative Intensity
55.01880	1.0
57.03457	9.3
58.00590	0.7
59.01389	11.5
59.64758	0.6
65.66262	0.6
69.03468	0.7
69.36603	1.0
69.37018	4.2
71.01392	9.8
72.99329	0.8
73.02959	3.4
76.73476	0.6
81.03480	4.6
81.07133	1.2
83.01394	6.5
83.05061	0.8
85.02960	5.7
87.00874	0.7
89.02468	4.6
90.76745	0.8
93.03443	3.3
95.01372	3.5
95.05038	3.2
96.96027	8.6
97.02975	5.4
98.20701	1.0
99.00906	1.7
101.02456	7.8
107.05058	0.8
108.02190	0.8
109.02970	14.3
111.04541	5.6
113.02472	4.6
113.06095	0.9
119.03542	1.7
121.02942	4.0
121.06666	0.7
123.00912	6.6
123.04539	2.7
124.01709	4.7
125.02465	100.0
126.02808	2.7
127.20658	0.7
131.05026	0.8
133.02985	1.4
133.06648	1.2
135.04536	1.9
137.02466	34.8
137.10400	0.6
138.03201	1.1
139.04031	21.1
140.04411	1.0
147.04576	0.9
149.02487	1.4
149.06087	1.6
151.04021	2.9
159.03183	0.7
159.04536	1.9
161.02498	3.5
161.04608	3.9
161.05840	1.0
162.03270	1.0
164.01173	6.7
165.01952	21.4
166.02499	1.5
167.03523	22.5
168.03876	1.3
175.04042	2.4
175.07780	0.7
176.04828	1.1
177.01964	2.8
177.05579	5.1
178.02626	0.8
179.03514	22.9
180.03877	1.1
181.05116	1.0
182.40654	0.6
189.05513	0.8
191.07173	2.1
201.05605	1.6
203.03511	3.1
204.04257	2.7
205.04994	0.6
215.00003	0.9
215.07164	0.8
219.06621	17.5
220.06888	1.3
221.04590	8.0
225.11180	1.4
233.08162	0.9
237.07629	1.2
243.06685	1.9
247.02478	0.9
261.00397	3.1
261.07770	8.0
287.05615	1.0
305.06711	73.2
305.12427	3.0
305.16150	1.7
306.07147	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	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14558	0.5
53.94280	0.5
55.19547	0.5
58.02982	44.0
59.52909	0.6
69.83662	3.0
70.46449	0.5
76.25381	0.5
79.36255	0.6
98.19973	0.9
101.38655	0.5
168.13953	100.0
169.14310	5.2
173.17189	0.6
175.38994	0.6
212.12915	1.8
252.24268	0.6
304.19272	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.9941
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04934	0.4
57.03440	1.0
59.01386	4.4
62.33576	0.5
65.00334	0.8
69.72018	2.4
71.01395	1.5
73.02931	0.6
75.02400	0.8
85.02950	0.8
89.02458	1.5
89.03981	2.5
91.01891	1.5
93.03468	1.2
95.05032	0.9
96.96022	8.1
101.02473	1.8
105.03482	3.4
107.01389	0.9
109.02971	1.6
111.04521	0.7
113.02441	0.7
117.03497	3.0
120.99638	0.7
121.02962	2.5
123.00902	1.5
123.04520	0.8
125.02459	7.3
131.01427	0.6
133.02969	10.1
135.00894	1.5
137.02470	1.9
138.05646	0.6
139.04010	1.4
143.07129	1.7
145.02957	1.6
146.27725	0.4
147.00908	0.6
148.01740	0.5
149.02441	5.1
151.00381	0.8
151.04027	0.5
160.01648	0.5
161.02469	10.6
163.00394	15.1
164.01073	1.6
165.01936	1.8
167.03490	1.6
173.02475	1.0
175.00256	0.5
177.01950	17.6
178.02289	0.5
178.99896	2.0
179.03528	2.5
187.00365	0.9
189.01938	6.0
190.99869	1.7
193.01413	1.2
205.01430	11.5
206.01785	0.7
206.99380	4.3
208.00102	1.7
214.99886	1.3
216.00694	0.8
217.01437	2.4
219.06625	0.7
225.11255	0.8
233.00917	7.8
234.98836	3.6
261.00421	100.0
261.07831	3.1
262.00723	6.4
304.99628	3.4
305.03146	1.1
305.06842	7.9
305.12405	3.5
305.16101	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1451
Annotation	Creoside I
Peak:m/z	Relative Intensity
50.40852	0.8
55.01671	0.8
55.01886	10.6
57.03452	6.0
58.00601	3.9
59.01387	71.8
63.00365	0.8
68.99813	1.3
69.03460	2.2
69.48326	5.6
71.01391	100.0
72.01734	0.9
72.99327	6.0
73.02956	32.6
75.00876	1.8
83.00916	1.3
83.01400	19.6
83.05025	1.2
85.02963	52.5
85.06601	1.1
86.03358	1.3
87.00885	10.4
89.02455	24.1
91.01963	0.7
95.01400	7.0
96.96014	0.8
97.02965	3.1
97.06605	1.0
98.19856	1.4
99.00893	19.0
99.04532	1.9
101.02457	98.1
102.02827	1.5
111.00884	3.8
113.02463	40.6
114.02736	1.0
119.03525	9.8
123.08160	0.9
125.02462	4.9
129.01953	3.8
131.03441	1.6
137.02473	1.0
139.07695	0.9
141.01964	2.0
141.05606	0.9
141.09235	9.7
143.03566	4.0
145.02946	1.2
147.00900	1.3
159.02995	11.1
161.04564	25.6
161.05901	1.4
169.01410	1.2
175.00340	2.2
185.11818	3.0
202.99811	2.8
205.03578	0.9
213.27754	0.8
230.99406	7.7
231.01614	1.6
243.12207	1.2
258.91336	0.8
258.98834	1.8
274.66260	0.8
286.00287	1.0
301.99728	2.4
302.97684	7.1
303.00507	27.1
303.04907	1.6
303.14505	33.7
304.00879	1.9
304.15021	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	304.0014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00405	0.3
53.15775	0.2
58.55194	0.2
59.01383	6.7
60.01716	0.8
61.98836	100.0
69.22499	2.3
73.95526	0.2
78.39426	0.3
91.79025	0.2
114.82697	0.2
116.02653	0.3
117.02254	0.6
119.00244	0.4
126.27153	0.2
134.97055	0.6
137.19893	0.2
143.97900	0.2
159.01529	1.2
160.01634	2.4
161.01204	3.1
161.98961	19.1
162.01761	0.7
162.96609	1.0
162.98979	1.2
202.02759	0.5
203.02464	0.7
203.99989	3.7
204.02820	0.4
205.00185	0.3
219.98126	0.3
261.99072	0.4
262.01636	0.4
304.00232	11.3
304.02914	2.7
304.99976	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47755	0.4
55.01877	1.2
56.01932	0.4
57.03461	3.5
58.00600	0.4
59.01384	4.8
59.01673	0.5
59.01783	0.3
67.01906	0.5
68.99840	0.5
69.03455	1.1
70.92917	1.0
71.01389	13.3
72.01697	0.4
72.97588	0.5
72.99319	0.9
73.02957	14.6
74.02500	0.7
78.95913	2.3
80.94630	0.4
81.03487	1.0
83.01393	0.9
85.02962	24.0
85.07782	0.4
86.03272	0.6
87.00887	100.0
88.01225	1.4
95.01392	4.0
96.96964	1.1
97.02951	0.9
99.00887	4.2
100.04059	0.6
101.02477	0.4
103.04028	9.2
109.02970	0.7
109.06554	0.5
111.00903	1.4
111.01991	0.5
112.04019	0.4
113.02462	5.3
115.00381	11.9
120.98354	0.4
125.02448	0.4
125.06023	0.6
128.03506	1.0
129.01968	1.5
141.01952	0.5
147.31485	0.5
150.61429	0.4
157.01436	6.6
159.03035	1.6
163.23849	0.4
169.05139	0.5
175.02507	19.6
187.10921	0.5
201.08847	0.5
213.08873	0.7
285.02603	0.5
285.10861	2.7
303.00592	0.5
303.03723	1.0
303.07098	0.8
303.12064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47755	0.4
55.01877	1.2
56.01932	0.4
57.03461	3.5
58.00600	0.4
59.01384	4.8
59.01673	0.5
59.01783	0.3
67.01906	0.5
68.99840	0.5
69.03455	1.1
70.92917	1.0
71.01389	13.3
72.01697	0.4
72.97588	0.5
72.99319	0.9
73.02957	14.6
74.02500	0.7
78.95913	2.3
80.94630	0.4
81.03487	1.0
83.01393	0.9
85.02962	24.0
85.07782	0.4
86.03272	0.6
87.00887	100.0
88.01225	1.4
95.01392	4.0
96.96964	1.1
97.02951	0.9
99.00887	4.2
100.04059	0.6
101.02477	0.4
103.04028	9.2
109.02970	0.7
109.06554	0.5
111.00903	1.4
111.01991	0.5
112.04019	0.4
113.02462	5.3
115.00381	11.9
120.98354	0.4
125.02448	0.4
125.06023	0.6
128.03506	1.0
129.01968	1.5
141.01952	0.5
147.31485	0.5
150.61429	0.4
157.01436	6.6
159.03035	1.6
163.23849	0.4
169.05139	0.5
175.02507	19.6
187.10921	0.5
201.08847	0.5
213.08873	0.7
285.02603	0.5
285.10861	2.7
303.00592	0.5
303.03723	1.0
303.07098	0.8
303.12064	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68367	0.5
56.29617	0.5
59.01389	0.9
69.29327	5.0
79.76767	0.6
105.27843	0.5
106.56167	0.5
118.06637	2.9
123.00896	0.9
123.04588	0.7
125.02438	0.6
130.08853	0.6
145.02974	1.5
147.03296	0.9
148.04041	1.1
151.00316	0.6
157.02995	0.8
160.04073	11.2
161.04843	100.0
162.01993	0.7
162.05626	15.4
163.02776	0.9
163.05952	0.8
164.03557	6.3
169.01437	1.4
173.02415	1.5
175.02769	7.4
176.03578	1.5
177.72318	0.6
185.02483	2.0
189.01942	0.7
191.03539	0.6
192.03040	12.0
193.03824	59.2
194.04259	2.4
201.01907	1.1
208.02571	0.9
217.01338	0.6
229.01508	2.5
240.10298	1.8
245.01028	1.3
253.06210	0.8
257.00961	1.5
271.10898	28.5
272.11194	2.2
273.00485	1.0
283.10901	98.7
283.96515	0.5
283.99695	2.4
284.11191	7.6
299.99142	2.8
300.99902	44.7
301.11935	28.2
302.00388	3.2
302.03455	1.0
302.12314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.4
59.01386	2.0
67.01885	0.4
69.03443	0.5
69.84593	1.8
71.01383	5.3
73.02947	1.2
73.29308	0.3
79.01909	0.5
81.03474	0.8
83.01395	1.0
85.02963	2.2
86.02584	0.3
87.00893	0.5
89.02471	0.8
93.03468	0.8
95.01397	6.4
97.02956	1.4
99.00923	0.8
101.02453	2.3
107.01363	1.7
108.02222	0.8
109.02959	1.1
111.00940	0.6
113.02460	2.8
117.03499	0.9
121.02966	2.7
122.03751	0.6
123.00898	91.2
124.01729	10.7
125.02455	26.5
126.02802	0.6
129.03470	0.8
133.02965	0.9
135.04489	0.4
137.02481	3.1
137.06073	0.5
138.03241	57.7
139.00433	2.0
139.04042	16.4
145.02959	3.9
147.04564	0.6
149.02478	1.9
149.99614	6.0
150.03233	0.6
151.00375	4.6
151.04037	1.3
151.91837	0.3
153.01953	0.4
157.02997	1.9
159.02937	0.7
161.02438	0.8
161.04543	3.5
163.04018	2.2
165.01797	0.4
165.44841	0.3
166.02715	1.6
167.03488	0.5
168.00653	21.2
169.01439	23.8
170.01768	0.7
173.02451	3.9
178.02676	1.0
181.05081	4.6
185.02455	4.3
186.02853	0.5
189.01952	1.1
191.03438	0.4
193.05043	2.2
199.00441	0.6
200.01152	0.9
201.01958	3.6
211.02446	0.4
213.01901	0.5
216.00946	0.4
217.01456	1.7
224.68248	0.4
226.99925	1.5
228.00566	0.7
229.01395	5.6
230.01813	0.5
241.03542	1.5
245.00867	2.9
254.99426	0.9
257.00977	2.5
273.00369	0.4
283.04535	2.1
283.99640	5.3
285.00201	0.4
299.99100	4.6
300.99930	100.0
301.05478	37.5
302.00262	7.2
302.05780	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	301.0568
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
59.01375	0.8
69.03452	1.9
69.32325	0.7
76.91256	0.7
78.95902	1.8
79.01921	1.4
81.03471	1.0
83.01409	1.3
95.01413	0.9
97.02959	2.4
107.01398	2.6
123.00889	4.5
124.01682	15.6
125.02467	54.4
126.02765	1.3
137.02504	0.8
139.04002	0.8
145.02960	0.9
149.99606	30.9
151.00415	4.3
157.37325	0.6
163.04175	0.7
164.28569	0.7
167.03580	0.8
168.00662	74.9
169.01436	11.8
173.02492	1.5
179.03583	1.1
185.02473	1.9
201.01884	1.1
204.08755	1.2
229.01517	1.1
245.00888	0.6
257.00821	0.7
283.04605	6.5
283.99728	2.0
299.99149	1.2
301.00174	30.1
301.05664	100.0
302.00296	1.8
302.06018	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	301.0567
Annotation	Neostigmine bromide
Peak:m/z	Relative Intensity
53.20370	0.6
59.18682	0.6
60.51403	0.6
69.03388	1.5
69.49366	4.3
79.01814	1.1
83.01305	1.8
97.02866	2.1
107.01346	2.2
119.73905	0.6
121.44938	0.5
123.00884	4.4
124.01680	17.8
125.02460	54.5
126.02704	1.8
132.80933	0.6
137.02467	1.0
145.02942	1.1
146.08640	0.6
149.99597	31.3
151.00391	3.2
167.03546	0.6
168.00655	76.6
169.01428	9.2
173.02393	1.1
185.02483	1.2
199.69897	0.6
201.02023	0.9
229.01471	1.0
245.00903	0.6
257.01059	0.7
283.04553	7.1
283.99701	1.3
299.99445	0.9
300.96716	1.6
301.00275	25.8
301.05661	100.0
302.00620	1.7
302.06082	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	300.9992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02495	0.3
65.24767	0.3
69.88540	1.4
82.41907	0.2
86.96542	0.3
90.04328	0.2
104.82082	0.2
117.03481	0.5
119.04994	0.3
122.30093	0.3
129.03484	0.6
133.02980	0.3
137.40431	0.2
145.02974	2.8
147.04594	0.4
157.02953	1.1
159.00862	0.3
163.04057	0.9
173.02440	2.9
185.02467	3.8
186.02631	0.3
189.01907	0.8
199.00429	0.4
200.01158	0.7
201.01945	3.5
209.46846	0.3
213.01892	0.4
216.00534	0.3
217.01401	0.4
226.99867	1.0
228.00609	0.9
229.01443	4.8
240.00740	0.4
244.00180	0.6
245.00975	2.2
254.99275	0.6
255.99997	0.3
257.00919	2.6
271.99805	0.4
273.00333	0.5
283.99640	4.9
284.99860	0.5
287.41873	0.3
299.99106	4.0
300.99905	100.0
301.96936	0.5
302.00262	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9992
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
54.63137	0.2
58.34624	0.2
62.33042	0.2
69.45262	1.2
89.03963	0.2
96.85868	0.1
101.03981	0.4
117.03468	1.1
119.05047	0.2
127.01851	0.2
129.03459	1.0
133.02986	0.6
141.03477	0.2
145.01884	0.3
145.02975	4.2
146.03331	0.2
147.04533	0.5
148.94719	0.2
155.01439	0.2
157.02963	1.7
160.01613	0.2
161.02393	0.8
163.03990	1.2
171.00903	0.4
172.01610	0.3
173.02460	4.0
174.02745	0.2
184.01671	0.3
185.02457	4.5
186.02782	0.4
189.01941	1.4
189.12305	0.2
199.00407	0.5
200.01202	1.2
201.01967	4.8
202.02200	0.3
213.01891	0.5
216.00633	0.9
217.01447	1.2
226.99857	1.6
228.00606	1.1
229.01424	5.6
230.01802	0.3
240.00639	0.3
244.00050	0.6
245.00940	3.2
246.01295	0.2
254.99306	0.6
256.00061	0.3
257.00876	2.0
271.99597	0.2
273.00433	0.5
283.99680	5.8
284.99942	0.5
299.99130	5.5
300.04404	0.3
300.99911	100.0
302.00266	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	300.9992
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
85.06316	0.2
110.15448	0.2
112.09756	0.2
117.03476	0.6
119.05043	0.3
129.03479	0.8
133.03015	0.4
145.02972	2.4
147.04584	0.4
157.02986	1.2
158.03394	0.3
161.02402	0.3
163.03996	0.5
173.02443	3.0
179.95044	0.2
184.01692	0.4
185.02470	3.7
189.01952	0.9
199.00372	0.5
200.01172	0.5
201.01933	3.8
202.02371	0.2
213.01955	0.4
216.00693	0.3
217.01460	0.7
226.99883	1.1
228.00609	0.7
229.01450	5.0
230.01700	0.5
240.00732	0.3
244.00153	0.5
245.00914	1.9
254.99466	0.4
256.00189	0.3
257.00946	2.8
258.01166	0.3
273.00369	0.4
283.99646	4.0
285.00104	0.3
299.99130	4.5
300.99911	100.0
302.00262	7.7
302.03687	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.9992
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
69.45265	0.8
69.45695	1.1
73.74320	0.2
93.39132	0.2
97.40862	0.2
101.03982	0.3
101.63345	0.3
104.84028	0.3
117.03486	0.6
129.03464	0.8
133.02957	0.7
145.02989	2.3
147.04564	0.4
157.02956	1.0
161.02397	0.5
162.13814	0.3
163.03990	0.7
172.01688	0.4
173.02444	2.9
184.01488	0.2
185.02458	4.4
189.01958	1.0
191.03528	0.4
199.00397	0.5
200.01178	0.6
201.01973	3.3
217.01410	1.1
226.99892	1.0
228.00569	0.5
229.01437	4.7
244.00146	0.5
245.00925	2.0
254.99292	0.4
257.00897	2.1
273.00299	0.4
283.99609	4.3
284.99973	0.3
299.95969	0.4
299.99158	4.2
300.99918	100.0
302.00250	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	300.9991
Annotation	Unknow
Peak:m/z	Relative Intensity
60.13338	0.3
61.10538	0.3
66.82250	0.3
70.25273	1.1
104.46090	0.3
104.67841	0.3
117.03448	0.8
118.66328	0.4
129.03493	0.5
145.02963	1.8
157.02960	1.2
161.02437	0.5
163.04018	0.5
173.02449	2.1
185.02448	3.4
189.02002	0.6
192.30565	0.3
200.01181	0.5
201.02022	2.7
217.01447	0.7
217.14063	0.3
226.99904	0.8
228.00623	0.7
229.01448	3.8
245.00899	1.7
254.99194	0.4
255.63524	0.3
257.00903	1.7
273.00494	0.4
283.99628	4.0
299.99158	2.7
300.99908	100.0
302.00226	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	299.0906
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22576	5.7
59.01384	42.4
61.59874	5.5
71.01408	14.6
72.99326	9.5
73.41641	4.9
74.99098	9.2
78.95916	62.5
79.95752	8.9
80.96553	5.8
83.01420	7.2
87.00896	15.9
89.00691	11.4
89.02460	26.3
93.03469	41.9
96.96025	15.0
96.96976	15.7
99.00930	6.4
101.02465	9.9
107.01434	7.5
108.02208	7.7
114.05615	8.4
120.99663	72.7
123.00913	14.3
123.04566	9.9
125.02450	19.5
136.01593	9.3
137.02458	100.0
137.13969	6.5
138.05589	7.8
147.04471	7.1
149.06094	14.5
151.00371	6.0
153.01842	8.2
158.06149	13.6
159.00835	8.2
169.01459	17.7
177.02286	9.6
179.03503	22.4
180.75058	6.0
187.00342	13.5
189.91814	6.0
193.05168	7.4
195.03043	6.8
197.45651	6.3
214.99847	22.1
220.06068	13.4
229.01801	5.9
239.05563	7.4
242.99388	34.9
255.05075	6.2
270.98868	82.9
271.99344	6.3
281.03000	17.2
284.03305	9.2
298.98462	66.9
299.03885	51.4
299.07916	30.3
299.98984	23.2
300.05032	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00336	0.5
53.22317	0.3
54.00853	0.3
55.89735	0.3
59.01397	2.2
68.01422	3.2
68.18031	0.3
69.65443	2.0
70.34752	0.3
71.01395	0.5
71.55743	0.3
72.14436	0.3
88.09304	0.3
95.05032	0.4
96.04578	0.7
98.19997	0.3
122.02482	0.7
122.06139	0.6
123.03281	6.9
123.04191	0.4
124.04051	0.5
124.07702	1.2
128.15230	0.3
136.07686	0.6
137.04852	0.9
138.05624	100.0
139.05998	3.0
152.03595	0.4
152.07216	1.3
166.08769	0.5
167.05887	2.2
168.06685	0.7
180.06705	5.0
229.01221	0.4
283.99506	0.4
299.99094	0.4
300.10892	14.2
300.99957	4.4
301.11292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Pseudolaroside A
Peak:m/z	Relative Intensity
57.03447	0.3
59.01389	2.5
65.03953	0.4
66.81158	0.3
67.36922	0.3
69.97408	1.1
71.01394	2.9
72.42101	0.3
73.02932	0.5
82.05267	0.3
83.01402	0.4
85.02930	1.5
89.02447	1.5
93.03468	63.6
94.03790	1.6
95.01372	0.4
98.20556	0.5
101.02460	1.7
108.02193	1.0
111.78858	0.3
113.02471	0.9
116.72203	0.3
119.03533	0.5
119.05031	0.9
123.03275	0.7
136.05295	0.8
137.02458	100.0
138.02794	3.3
138.05637	8.7
143.78468	0.3
152.01157	0.7
153.03743	0.3
161.04587	0.6
209.04355	0.4
214.99916	0.6
242.99374	1.0
270.98883	3.0
298.98282	2.6
299.07758	1.5
299.99088	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
59.01385	3.7
62.57669	0.3
70.96702	0.5
70.97047	0.4
71.01384	0.7
85.02947	0.3
101.02435	0.6
121.09744	0.4
127.11267	0.5
139.11311	0.5
141.12868	1.5
155.10786	13.6
156.11134	0.5
161.04538	0.4
161.14265	0.4
171.10233	1.1
183.01227	4.7
184.01927	0.6
207.28090	0.4
208.42039	0.3
216.00963	0.5
237.09772	0.7
261.22092	0.5
279.23291	13.8
280.23724	1.1
282.05368	0.8
295.22757	1.1
297.15338	9.0
297.24353	100.0
298.15710	0.8
298.24707	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	297.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42876	0.8
59.01386	8.1
65.00311	0.9
67.49400	0.8
71.01392	1.4
71.57150	1.1
73.02955	0.7
74.99084	5.9
75.49362	0.9
75.84747	0.8
76.20958	0.8
78.81861	0.8
89.02464	1.1
89.04290	8.9
93.00120	2.5
101.02444	1.8
121.02891	1.1
121.06606	9.9
123.00816	0.9
127.55724	0.9
135.00850	1.0
136.98872	1.0
149.00974	50.3
150.01025	1.1
163.00391	0.9
163.11305	8.2
163.12579	1.1
183.01234	10.2
184.01901	1.0
206.99655	2.1
208.97623	1.8
223.02811	7.1
225.00757	1.6
237.09831	1.9
253.21696	0.9
264.98459	23.3
265.98517	1.6
266.96402	1.5
267.02988	1.1
281.01593	5.3
282.01450	0.8
282.05307	1.9
282.99478	2.6
297.04727	100.0
297.15320	16.2
297.18613	5.6
297.24368	19.2
298.04800	11.7
298.24567	0.9
299.02643	10.5
301.00562	0.9
315.05725	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	297.1195
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
50.32714	0.9
55.01896	1.6
57.03429	1.3
58.00602	2.4
59.01387	100.0
71.01392	54.9
71.33924	1.5
72.99313	2.1
73.01189	1.8
73.02959	7.3
74.99099	5.1
81.03468	1.0
83.01389	4.2
85.02962	13.3
86.03324	0.8
87.00873	3.3
89.02454	66.5
90.02779	1.3
95.01394	4.0
99.00900	2.3
101.02457	32.5
103.04010	1.4
113.02467	20.5
117.05578	1.6
119.03518	26.7
120.99650	1.2
125.02444	1.3
131.03479	1.6
135.06656	20.7
136.99144	3.9
143.03522	5.6
149.04526	1.5
159.02960	2.1
161.04591	12.4
179.05621	18.8
207.82581	0.9
237.09766	2.5
297.11963	27.4
298.12167	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73430	1.1
56.31380	1.0
59.01386	10.8
71.01375	1.7
71.56323	1.3
73.60892	1.1
74.99071	4.5
89.02415	1.1
89.04294	6.7
93.00149	2.5
101.02462	1.4
115.33176	1.1
121.03063	1.2
127.90348	1.1
132.83313	1.3
135.00804	1.1
137.02467	1.5
149.00975	44.1
160.99510	1.1
163.00461	1.3
163.16960	1.1
163.50156	1.2
167.32382	1.1
183.01216	11.3
184.01979	1.2
184.73721	1.0
198.92935	1.1
206.99680	1.4
208.97552	1.6
223.02892	5.2
225.00792	1.3
225.47977	1.1
264.98428	19.4
265.98502	1.2
281.01599	4.0
282.05246	2.3
282.99332	1.6
297.04736	100.0
297.15302	24.3
297.20874	2.3
297.24380	30.8
297.27646	1.4
298.04855	8.8
299.02591	8.4
301.00726	1.3
315.05920	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	297.0253
Annotation	Unknow
Peak:m/z	Relative Intensity
58.82407	0.3
59.01155	0.3
59.01392	4.1
65.00345	0.5
65.81989	0.4
68.99820	0.6
69.03465	0.4
69.20526	4.3
70.24770	0.4
70.77625	0.3
71.01382	2.4
72.99309	1.6
73.02959	1.0
81.03461	0.5
85.02950	1.1
87.00876	1.7
89.02460	2.2
91.01875	0.4
93.03485	0.9
95.01385	0.8
95.16817	0.4
96.96011	1.3
99.00911	0.9
101.02443	1.7
107.01418	0.6
107.05036	0.5
109.02985	3.1
110.00105	1.4
110.02496	5.9
111.00909	0.7
111.02219	0.5
111.02857	3.2
113.02465	0.6
119.03490	0.7
121.02976	1.7
123.00903	4.1
123.04535	0.5
124.01693	7.2
124.98805	0.8
125.02464	4.7
126.02738	0.4
135.00859	0.5
135.04553	2.3
135.06647	0.6
136.01660	0.7
136.98796	0.4
137.02463	6.2
139.00392	2.0
139.03999	1.1
140.01213	0.6
145.02910	0.6
147.00848	0.8
147.04543	0.5
149.02435	1.5
149.99611	1.1
151.00412	2.9
151.03995	1.2
152.01169	7.9
153.01888	1.2
154.99852	1.1
157.70695	0.4
159.02983	0.7
160.03384	0.8
161.02473	1.2
161.04582	1.1
163.00421	2.6
163.04047	1.4
164.01155	1.3
164.98285	1.6
165.01947	4.6
165.99007	1.0
166.02774	0.6
166.99838	1.9
167.03462	0.9
168.00665	1.7
169.01474	2.0
175.00401	0.8
177.01915	1.3
177.99164	0.8
178.99860	5.2
179.03549	0.7
179.05569	0.5
180.00591	0.7
181.01465	1.5
181.05103	0.6
189.02011	0.7
190.99881	1.8
191.03493	1.3
193.01457	4.0
193.98636	1.0
194.99377	2.6
195.03017	0.6
196.00076	2.8
197.00851	0.8
205.01506	0.8
205.98616	0.8
206.99394	1.3
207.03047	1.0
208.00180	1.2
209.00922	8.2
209.04587	0.8
211.02542	2.3
218.99371	0.8
223.09831	0.5
223.99635	18.9
225.00215	1.4
235.02536	2.0
237.00418	3.6
274.54279	0.9
282.05383	0.8
297.02545	100.0
297.24380	1.2
298.02878	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	297.0252
Annotation	Magnesium salicylate
Peak:m/z	Relative Intensity
57.03447	0.4
59.01384	4.2
65.00311	0.7
67.01871	0.4
68.99834	0.5
69.03446	0.3
70.29050	0.8
70.29436	0.6
71.01399	2.9
72.99316	0.9
73.02942	0.4
81.03461	0.6
83.01414	0.6
85.02951	1.2
87.00879	1.4
89.02446	2.2
93.03461	1.1
95.01392	1.6
96.96010	1.0
97.02944	0.4
98.11901	0.3
99.00902	0.9
101.02452	1.3
107.01403	1.2
108.02183	0.5
109.02962	3.7
110.00112	1.4
110.02515	5.7
111.00904	0.9
111.02840	3.3
113.02463	0.9
121.02942	1.4
123.00893	3.9
123.04589	0.4
124.00848	0.6
124.01686	7.7
125.02463	4.3
133.03008	0.5
135.00867	0.6
135.04526	2.5
135.06689	0.5
137.02458	5.3
139.00397	2.8
139.04027	0.7
140.01225	0.5
145.02969	0.7
146.04611	0.5
147.04504	0.6
149.02455	1.2
149.99588	0.9
150.03098	0.5
151.00388	2.8
151.03999	0.8
152.01161	7.0
152.98305	0.4
153.01935	1.5
154.99886	0.8
159.03058	0.7
160.03238	0.4
161.02466	0.8
161.04604	0.5
163.00420	2.3
163.03998	0.8
164.01178	1.4
164.98308	1.4
165.01958	3.9
165.05646	0.4
165.99037	0.5
166.99881	2.4
167.03581	0.9
168.00681	1.3
169.01430	1.8
173.02448	0.5
177.01949	1.3
177.99103	0.7
178.99869	6.5
179.03471	1.1
179.05717	0.4
180.00473	0.6
181.01436	1.1
181.05135	0.6
186.04874	0.4
189.01950	0.7
190.99959	1.9
191.01587	0.4
191.03500	1.3
192.00708	0.6
193.01436	3.4
193.98564	1.2
194.99384	2.6
196.00175	3.2
197.00888	0.8
205.01474	1.1
205.98546	0.5
206.99461	1.8
207.03011	1.3
208.00095	1.5
209.00941	7.9
211.02512	2.3
218.99420	0.6
221.00934	0.5
223.99651	19.5
225.00110	1.2
235.02486	1.2
237.00456	3.8
238.00749	0.5
253.03650	0.4
274.54263	0.7
282.05331	0.6
297.02548	100.0
297.24408	1.2
298.02914	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	295.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56788	0.6
53.03247	0.7
55.23359	0.6
59.01389	100.0
60.01724	1.2
61.22504	0.6
69.74178	3.9
71.01390	1.6
72.97221	0.6
73.02959	1.3
99.00893	1.2
101.02463	2.6
101.82531	0.7
110.02506	2.7
121.06682	0.7
125.02393	0.7
128.25949	0.6
131.03783	0.7
135.04564	2.8
145.02963	0.9
159.03053	0.7
163.04082	3.0
179.03583	0.9
190.52419	0.7
194.99382	0.7
206.84035	0.7
207.03050	2.5
207.06755	0.9
235.11916	3.6
251.02077	0.7
251.05675	1.6
263.02014	0.7
284.02075	0.8
290.66666	0.7
295.01080	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
51.61244	0.6
56.67411	0.6
57.03440	0.8
59.01381	3.9
63.18483	0.5
69.76586	0.6
70.79488	0.7
70.79829	1.1
71.01430	0.7
88.54948	0.6
91.01913	0.8
96.60707	0.5
125.09756	1.4
127.07755	0.5
135.00911	1.6
139.11378	0.8
141.12872	0.9
155.10782	2.7
171.10287	24.3
172.10606	0.7
183.10268	12.9
195.13922	3.9
206.99329	0.9
277.21750	35.6
278.22089	3.6
295.22809	100.0
296.23145	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	295.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73317	0.7
55.96629	0.7
56.75065	0.7
56.94778	0.7
57.03449	1.2
58.99627	1.6
59.01387	100.0
60.01728	1.3
69.03465	1.3
69.43236	1.2
69.43639	4.6
71.01395	5.6
72.99333	1.1
73.02966	1.9
74.99117	1.1
75.97581	0.7
80.96539	1.1
83.01409	0.9
85.02982	3.1
87.00912	0.9
89.02459	2.9
91.01931	1.6
93.03490	1.6
95.01444	1.5
96.96015	2.7
99.00890	3.6
101.02445	4.9
103.02271	2.0
107.05074	0.8
109.02997	1.7
110.02491	4.9
113.02454	3.8
114.02013	1.0
115.00416	0.9
117.03539	0.9
119.05074	1.5
120.99707	2.0
121.03034	1.2
123.00950	1.8
123.04563	2.8
125.00714	0.7
125.02469	3.5
133.01456	1.8
133.05104	1.7
134.02545	0.7
135.00925	2.8
135.04547	3.1
137.02519	1.6
137.44727	0.7
145.03026	1.0
149.02460	1.3
151.00473	1.0
161.02542	1.0
161.04611	1.8
163.00476	2.6
163.04080	4.7
163.12425	0.9
164.01205	1.1
165.01944	4.2
166.05141	2.5
169.01486	3.5
177.01993	4.4
178.99896	1.2
179.03477	0.9
179.07303	0.8
191.03596	2.8
192.00740	0.9
193.01462	1.4
205.05025	1.0
206.99384	0.8
207.03029	6.1
207.06960	2.8
219.03079	1.2
220.06331	0.8
221.00894	7.1
233.13058	1.2
235.02571	1.7
235.08334	1.1
235.11932	2.4
236.03333	3.4
251.02121	2.0
251.05589	6.5
251.14035	1.1
263.02100	0.9
277.03754	1.1
294.97797	1.0
295.01178	2.7
295.04782	8.4
295.08728	4.7
295.13049	2.4
296.04691	0.8
296.07916	1.6
298.93243	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
60.01732	1.2
66.57981	0.7
70.89318	1.7
71.01385	8.8
73.02966	2.8
80.96532	1.1
83.01436	1.0
85.02969	4.4
87.00910	1.1
89.02484	2.3
90.98634	1.7
91.01920	2.1
92.36335	0.7
93.03445	0.8
95.01409	1.4
96.96046	2.9
97.76006	0.7
99.00895	3.9
101.02460	4.3
107.05058	0.9
109.02991	1.2
111.00902	1.0
113.02480	2.7
119.01427	1.3
119.03497	0.9
119.05058	1.2
120.99696	4.8
123.00938	1.2
124.01752	1.4
125.02479	2.7
133.03041	1.2
133.05106	1.2
135.00938	3.2
135.04538	4.5
137.02518	1.3
145.06970	1.1
149.02507	1.9
151.04085	1.1
161.02498	1.7
161.04631	3.1
163.00453	1.5
163.04013	5.5
165.01978	1.6
169.01486	2.4
173.08295	0.8
177.01895	4.1
177.05656	1.0
179.03542	2.7
187.94902	3.5
189.05925	0.9
191.03572	2.1
206.99440	0.9
207.03082	5.1
207.06898	3.8
233.08607	1.1
235.08284	1.2
235.11929	2.1
251.02028	1.6
251.05673	2.5
251.91234	1.8
277.00571	0.8
277.03638	1.5
294.91824	3.1
295.01135	2.1
295.04721	5.9
295.08646	5.3
295.13663	1.0
296.08527	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.4
58.00591	3.2
58.76332	0.7
59.01385	97.3
66.71273	0.8
70.15182	2.2
71.01389	46.0
71.76330	0.7
72.01720	1.4
72.99318	3.0
73.02956	1.7
74.99092	1.8
77.28728	0.7
83.01397	3.3
85.02965	9.3
87.00887	2.2
89.02452	57.0
90.02821	0.9
95.01398	3.3
101.02454	29.3
111.52579	0.8
113.02464	19.3
115.04052	1.2
119.03517	26.7
131.03516	1.6
133.05055	2.3
135.04539	1.9
136.99126	1.7
143.03513	1.9
149.04535	1.8
161.04553	2.6
163.04002	1.9
179.05635	3.8
203.35533	0.9
207.03024	2.1
243.55632	0.8
263.51376	0.8
271.37000	0.8
295.10373	100.0
296.10764	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	295.086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45073	0.8
55.01901	1.0
56.98043	1.9
57.03459	0.8
58.99615	0.9
59.01387	25.4
60.97526	1.2
62.95529	0.8
63.96248	4.5
70.99599	1.9
71.01392	10.8
71.56983	1.3
72.99319	10.1
73.01178	16.8
73.02954	2.3
73.98347	4.4
74.99104	97.2
80.96540	1.3
83.01408	1.8
84.34061	0.9
85.02957	4.1
87.00880	7.6
89.02450	8.6
89.03983	0.8
90.98624	1.7
91.01909	1.9
91.05574	1.0
93.03483	2.3
95.01417	2.1
96.96021	2.8
99.00885	2.2
101.02444	8.7
105.03490	1.0
107.05048	1.9
109.02990	1.0
113.02449	3.8
114.98619	9.1
115.04021	17.5
117.03473	2.4
117.97327	1.9
118.98118	1.9
119.01445	0.8
119.03506	2.8
119.05038	2.3
120.97757	0.8
120.99680	4.4
121.02981	1.4
123.00900	1.0
125.02445	1.9
132.99704	0.9
133.02965	0.9
133.05098	1.8
134.03737	1.9
135.00871	4.1
135.04544	9.3
135.98370	7.1
136.99153	100.0
137.99533	1.3
143.07120	0.9
145.02997	1.9
149.02467	3.0
149.99928	3.2
151.00679	6.1
151.04025	1.9
155.07129	1.3
157.08693	1.4
161.02573	1.9
161.04549	3.6
163.00429	2.1
163.03999	9.0
171.04886	1.5
175.04347	4.2
175.09813	1.2
177.01945	3.9
178.99933	1.4
179.03505	4.4
189.01962	1.0
189.05859	1.5
191.03502	3.0
192.00645	1.3
192.04547	1.5
193.05417	3.4
205.01511	1.5
206.99521	1.1
207.03000	17.7
207.04948	1.6
207.06917	6.7
218.99493	1.0
219.03093	1.0
223.02492	0.9
233.00945	3.8
235.08304	1.1
251.01959	5.0
251.05659	1.9
277.00015	1.7
277.07651	1.5
295.01025	4.9
295.04865	4.8
295.08121	26.9
296.08435	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	3.7
60.74191	0.7
65.03968	3.6
66.14807	0.7
69.56510	3.9
73.45338	0.6
81.03445	1.3
91.05542	3.0
91.80692	0.7
93.03471	1.5
99.00874	1.3
101.17305	0.6
105.03466	1.1
107.05014	5.7
110.02503	5.4
117.03478	7.0
119.05042	4.9
123.00904	1.4
123.04535	1.0
125.02473	2.9
133.03004	2.0
135.04539	63.4
136.04861	2.5
137.02454	1.3
141.24803	0.7
145.02977	17.5
148.01671	1.6
151.00336	1.4
151.04051	3.2
159.03117	0.8
161.02409	3.3
161.06169	0.7
163.04024	100.0
164.01128	0.9
164.04373	2.8
179.03516	46.1
180.03882	1.7
189.01891	3.1
190.35216	0.7
192.00681	3.8
193.08392	0.6
194.99359	11.0
205.01392	1.4
206.02335	1.0
207.03008	69.2
208.03389	3.2
233.00876	1.3
251.01974	21.7
252.02502	0.8
264.09177	0.7
295.00970	60.7
296.01196	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	295.0592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01479	2.4
57.03448	4.5
57.31627	3.2
58.35661	2.6
59.01387	100.0
63.02390	4.3
70.84884	3.6
70.85236	6.2
71.01399	32.2
72.99317	5.1
73.02959	14.3
74.99099	5.7
79.95763	3.2
80.96506	4.1
82.76273	2.4
83.01400	4.8
85.02975	15.0
87.00886	9.1
89.02441	8.5
90.98613	13.8
91.01881	3.7
93.03465	3.3
95.01392	6.8
96.96024	20.4
97.02940	3.0
99.00894	10.8
101.02435	21.7
107.05009	3.6
111.13834	2.5
112.21690	2.4
112.52982	2.2
113.02444	13.0
117.03459	3.4
117.28393	2.9
117.32912	2.9
118.98073	4.1
119.03574	3.3
119.05032	5.0
120.99663	12.1
123.00879	3.1
123.04530	3.1
125.02461	9.7
132.04553	5.4
133.02966	4.3
133.05066	5.6
135.00900	9.1
135.04530	21.0
136.99075	3.3
137.02492	2.8
145.02946	6.4
145.06912	12.0
147.04543	2.7
149.02521	3.7
151.04016	7.2
159.03049	3.5
161.02486	3.4
161.04594	14.7
162.03391	3.0
163.00357	5.1
163.04005	21.4
163.07938	8.8
165.01953	2.8
169.01469	6.4
171.77080	2.5
176.03328	2.8
177.01952	11.0
179.00111	5.6
179.03491	5.9
180.46471	2.7
187.94928	5.5
189.01875	3.0
189.05722	5.4
191.03505	7.0
192.00653	7.8
205.01405	3.9
206.99396	4.7
207.02965	22.8
207.06914	12.9
221.00780	3.3
233.08466	6.5
235.08391	4.8
251.01961	8.0
251.05630	11.7
251.09517	4.6
259.65103	3.6
277.03778	3.0
294.91425	4.2
294.97714	3.4
295.00937	12.3
295.04697	22.2
295.08588	14.3
296.02142	3.5
303.96448	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.0096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71264	0.7
57.49594	1.0
59.01387	9.2
65.03973	3.6
67.01888	1.8
68.83620	0.7
68.99802	1.0
71.01396	3.4
71.56171	1.3
76.72222	0.8
89.02425	1.0
89.03986	1.0
91.01882	1.0
91.05540	10.9
93.03469	10.3
95.05053	1.1
96.96030	4.7
101.02474	0.9
105.03473	1.8
107.05047	14.0
110.02570	0.9
110.68679	0.8
115.00419	3.5
117.03479	2.8
119.05034	3.5
121.02977	2.1
123.00894	0.8
123.04506	1.7
125.02452	2.5
133.01465	8.8
133.02992	2.5
133.05275	0.7
134.02737	1.1
134.03755	20.9
135.00851	1.2
135.04546	50.0
136.04869	0.8
137.02492	0.9
145.02963	1.1
147.04539	1.0
151.04007	1.7
160.42311	0.8
161.02347	3.4
163.00389	1.3
163.02745	1.4
163.04037	19.1
164.04352	1.1
165.51605	0.8
169.01375	1.8
175.00369	2.4
177.01965	1.7
177.04535	1.0
178.02740	3.4
179.03531	4.9
189.01935	1.5
189.12717	0.8
190.81709	0.7
191.03560	1.6
191.50836	0.7
193.01274	0.7
205.01453	7.4
207.03006	100.0
208.03346	3.8
228.80449	0.8
233.00937	21.3
234.01125	0.7
239.95563	0.8
249.03241	0.9
251.01953	21.0
251.05772	1.6
277.00031	1.3
295.00864	3.8
295.04819	1.2
295.08340	1.3
295.11987	1.0
296.01193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2125
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
54.01719	0.4
57.03438	1.5
59.01375	1.5
61.81582	0.4
65.00320	1.6
68.99816	1.0
69.17849	0.3
70.11706	1.6
71.01376	1.3
73.35995	0.4
78.95934	0.7
85.02935	0.4
85.47932	0.5
92.99807	0.5
93.03461	0.4
95.01369	1.0
96.96008	1.7
97.06584	1.1
123.08202	0.7
125.09737	4.8
133.02928	0.5
136.08914	0.4
139.11304	0.6
141.12860	1.8
148.98802	1.0
149.09697	1.5
167.14371	0.6
169.05325	0.4
176.98305	1.6
177.09154	0.5
185.11842	9.3
192.11606	1.5
193.15985	1.0
196.32851	0.5
197.11859	3.0
202.99892	0.4
205.12358	1.0
209.11737	0.4
220.14699	5.5
220.97122	0.8
221.15456	9.4
222.15950	0.5
236.10565	7.9
237.10840	0.5
247.02629	0.5
248.68358	0.4
249.03090	0.9
249.22282	0.8
264.96262	1.4
274.98291	0.7
275.20102	0.9
286.35959	0.5
292.95859	0.5
293.21237	100.0
294.21597	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.5
59.01380	4.0
61.98842	0.6
65.00311	3.4
68.99819	0.9
69.28565	6.2
71.01370	3.4
74.96711	0.6
78.95895	1.6
89.00328	0.9
92.99793	0.8
95.01388	2.4
96.96011	2.8
97.06577	1.1
99.87703	0.6
100.18757	0.7
101.02459	0.6
113.09735	16.9
120.99306	0.8
121.10247	2.3
125.09731	0.9
131.03439	0.8
133.02950	1.3
136.08925	1.3
139.11296	1.6
147.00992	1.1
148.98816	2.1
161.04596	0.8
167.10750	2.1
171.10327	4.9
176.98279	1.6
177.01910	1.1
177.09245	1.1
177.12976	0.7
179.10791	2.0
185.11845	1.5
192.11560	2.9
193.04059	0.6
193.15942	2.8
195.13890	2.9
202.99797	1.5
205.01404	0.9
205.12335	1.2
207.13956	0.6
220.14705	12.3
220.97217	1.4
221.15465	25.8
222.15773	1.4
236.10530	18.7
237.11015	1.3
249.00665	1.1
249.03104	2.8
249.18655	1.1
249.22278	1.8
264.96231	2.1
274.98331	1.3
275.20160	7.7
292.96036	0.7
292.99365	1.7
293.08936	4.4
293.17828	5.5
293.21222	100.0
294.21472	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	293.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07740	0.5
57.03439	1.1
59.01372	2.1
65.00329	2.9
68.99819	1.1
71.01396	2.7
71.57206	0.6
76.34879	0.6
78.95917	2.5
89.00298	0.6
92.99826	0.7
94.99834	0.4
95.01385	2.1
95.05011	0.9
96.96009	1.6
101.02473	0.5
111.08166	2.0
112.59563	0.4
112.81985	0.6
133.02954	0.9
148.98814	1.5
176.98337	2.5
177.01967	0.7
177.09206	1.4
179.14389	2.2
181.12346	0.8
192.11613	2.3
193.16008	2.1
202.99715	0.6
205.01559	0.6
205.12294	0.9
205.15945	1.7
220.14711	8.9
221.00812	0.6
221.15465	16.8
222.15787	1.3
229.04385	0.5
235.16954	0.5
236.10513	11.3
237.10909	0.8
249.00473	0.7
249.03026	1.9
249.18634	0.7
264.96234	2.4
274.98300	0.8
275.20163	1.5
277.05753	0.6
291.07227	0.7
292.95853	0.5
292.99393	1.1
293.08878	13.6
293.21243	100.0
294.09183	1.1
294.21570	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	293.2127
Annotation	13(S)-HOTrE
Peak:m/z	Relative Intensity
54.30407	0.7
58.82299	0.8
59.01389	1.5
61.88479	0.8
62.32690	0.7
70.62607	0.8
70.87034	1.3
71.59296	0.7
83.73898	0.7
104.33434	0.7
104.80952	0.8
118.05820	0.9
121.27451	0.8
167.10867	1.0
179.14449	2.0
187.32092	0.9
195.13931	16.7
196.14413	1.2
205.12309	1.8
205.16104	1.1
223.13414	13.8
224.14075	1.0
228.13655	2.5
255.93364	0.9
256.13174	4.1
275.20160	8.2
293.21271	100.0
294.21548	7.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2126
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.61494	1.4
59.01382	5.1
65.00350	2.4
69.03433	1.3
70.57605	4.5
70.57951	1.6
90.33674	1.6
92.86269	1.5
95.01411	1.7
102.82598	1.7
109.06628	1.5
121.10252	49.3
125.09752	2.5
136.08945	2.1
141.12894	1.4
148.98776	1.8
171.10292	91.5
172.10655	4.8
176.98332	2.7
177.16519	1.7
183.10280	4.2
183.13911	6.1
185.11815	4.0
191.98257	1.7
192.11507	1.7
192.26718	1.7
193.16034	2.2
202.54790	1.6
205.12279	2.1
213.12497	1.7
220.14693	6.5
221.15520	13.5
231.21220	5.3
236.10544	11.4
262.92593	1.7
264.96204	2.9
275.20184	100.0
276.20404	7.8
293.18018	4.1
293.21252	82.4
294.21524	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	293.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29396	0.2
54.93819	0.2
60.23153	0.2
70.88080	0.5
71.01389	8.0
72.85938	0.2
74.10658	0.2
75.29914	0.2
89.85817	0.2
127.07657	0.7
148.05315	1.3
151.07634	0.3
164.08479	1.2
176.98289	0.3
177.09233	5.1
190.10062	0.4
192.11589	6.5
193.12128	0.4
195.13838	0.6
205.12334	7.0
206.12717	0.5
207.13901	1.0
217.08734	0.6
218.09431	2.1
220.14700	48.0
221.15469	100.0
222.15805	6.0
235.13390	0.8
236.10550	64.8
237.10898	3.4
275.20288	0.3
293.17587	7.1
293.21204	3.0
294.17755	0.6
294.21417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0882
Annotation	Tuliposide B
Peak:m/z	Relative Intensity
55.01881	1.9
58.00606	3.0
59.01387	79.3
65.00317	4.5
69.03468	9.9
69.41206	12.4
69.41611	4.0
71.01391	84.6
72.99308	6.5
73.02956	33.6
81.03470	5.5
83.01408	6.8
85.02953	14.9
87.00900	2.8
89.02456	100.0
95.01402	9.4
97.02957	13.5
98.19857	1.9
99.00893	31.8
101.02458	30.3
110.05161	1.9
113.02457	9.8
115.04010	9.1
121.03046	2.9
125.02479	37.1
131.03493	8.0
143.03482	7.0
148.98804	4.1
149.04568	5.9
174.82359	2.1
176.98238	3.1
177.01945	2.3
186.91530	1.9
191.05612	11.3
208.58318	1.8
220.97267	3.9
233.06642	15.0
249.03001	6.8
264.96313	6.4
274.11087	2.0
274.98199	2.9
292.99368	2.9
293.08896	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	293.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52112	5.0
55.10221	4.9
59.01386	92.2
65.00346	10.4
69.03433	8.7
69.60738	38.3
71.01392	74.3
73.02958	89.5
81.03445	7.8
85.02963	37.3
89.02459	92.9
95.01398	25.9
97.02954	22.6
99.00887	88.3
101.02456	100.0
108.03269	6.1
111.34566	6.0
115.04008	22.2
125.02467	65.9
131.03546	6.6
143.03548	14.9
148.98747	7.2
149.04562	16.3
176.98315	7.3
191.05643	23.1
202.99963	5.9
240.48416	5.9
249.03018	7.5
264.96237	10.3
292.99469	7.7
293.02835	5.9
293.08746	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	292.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54346	0.4
58.02980	0.7
59.01397	1.9
65.00332	1.4
71.01388	1.6
95.01412	1.8
96.95982	0.5
108.47395	0.5
111.20346	0.4
112.11655	0.4
148.98790	1.2
152.91788	1.3
156.13965	100.0
157.14342	3.9
170.69292	0.5
176.04391	1.0
176.98259	1.2
185.12044	0.5
192.03879	0.6
192.11528	0.6
194.92769	0.8
200.12920	4.6
202.99962	0.5
204.03894	0.5
214.97701	0.4
220.14722	4.8
220.97517	0.6
221.15492	9.9
234.46628	0.5
236.10570	6.6
248.02840	9.7
249.03104	0.8
264.96317	1.6
274.98364	0.6
292.01868	1.3
292.20023	0.7
292.95517	0.7
292.99377	0.6
293.14520	0.5
293.17914	1.0
293.21298	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	292.1922
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
53.54346	0.4
58.02980	0.7
59.01397	1.9
65.00332	1.4
71.01388	1.6
95.01412	1.8
96.95982	0.5
108.47395	0.5
111.20346	0.4
112.11655	0.4
148.98790	1.2
152.91788	1.3
156.13965	100.0
157.14342	3.9
170.69292	0.5
176.04391	1.0
176.98259	1.2
185.12044	0.5
192.03879	0.6
192.11528	0.6
194.92769	0.8
200.12920	4.6
202.99962	0.5
204.03894	0.5
214.97701	0.4
220.14722	4.8
220.97517	0.6
221.15492	9.9
234.46628	0.5
236.10570	6.6
248.02840	9.7
249.03104	0.8
264.96317	1.6
274.98364	0.6
292.01868	1.3
292.20023	0.7
292.95517	0.7
292.99377	0.6
293.14520	0.5
293.17914	1.0
293.21298	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0151
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
50.31702	0.3
62.68366	0.4
69.50983	1.1
69.51412	1.3
75.63195	0.3
80.66313	0.3
91.69588	0.3
98.20663	0.6
119.05029	2.2
133.02959	0.6
135.04510	1.3
145.02972	3.0
147.04535	3.5
159.04480	0.5
161.02431	0.7
163.04044	2.7
173.02458	4.0
174.03154	1.0
175.04033	3.4
176.01125	0.6
177.01863	0.4
177.94902	0.3
190.02771	3.3
191.03520	14.1
192.00595	0.4
192.03865	0.7
201.01849	0.8
203.03493	1.5
205.01495	0.6
218.02202	0.7
219.03014	5.4
229.01390	0.7
246.01672	0.4
247.02490	100.0
248.02815	5.8
291.01492	10.6
292.01691	0.6
296.98209	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66505	0.3
68.34928	0.3
76.50185	0.3
80.06868	0.3
81.30027	0.2
98.19828	0.5
105.03425	0.4
107.05038	0.3
109.86926	0.3
115.09446	0.3
117.03438	0.6
119.05038	1.9
121.02996	0.3
133.02968	0.6
135.04507	1.2
145.02980	2.9
147.04549	4.1
158.03738	0.4
159.04468	0.7
161.02475	0.4
163.04037	3.2
173.02420	4.2
174.03166	0.8
175.04024	3.7
176.01132	0.5
177.01974	0.4
189.01923	0.4
190.02699	3.4
191.03520	14.5
192.03906	0.4
198.32559	0.3
201.01939	1.1
203.03558	2.3
205.01434	0.4
218.02217	0.7
219.03008	5.5
229.01382	0.4
246.01736	0.6
247.02487	100.0
248.02844	5.2
291.01511	10.6
292.01819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0149
Annotation	Unknow
Peak:m/z	Relative Intensity
58.34772	0.5
58.43501	0.4
62.77306	0.4
65.41666	0.5
65.62364	0.4
69.56938	2.8
91.05550	0.8
105.03492	2.6
107.05037	0.8
119.05036	4.3
131.05040	1.6
133.02940	0.9
135.04549	1.4
145.02986	3.1
147.04533	9.2
148.04858	0.6
149.02440	0.4
158.03735	1.2
159.04521	2.5
161.02414	0.6
163.04012	2.4
173.02483	4.1
174.03085	0.8
175.04007	25.5
176.01155	0.5
176.04315	1.3
177.05600	1.3
190.02756	3.7
191.03516	14.0
201.01903	1.2
203.03510	15.7
204.03932	0.5
218.02071	0.6
219.03006	5.4
221.04573	3.2
246.01726	0.8
247.02486	100.0
248.02826	5.7
291.01474	13.9
292.01874	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0149
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
69.14123	0.4
69.56679	3.2
91.05549	2.1
103.05546	2.0
105.03471	7.3
106.21325	0.6
115.05567	0.8
119.05032	7.7
120.63860	0.5
121.02995	1.1
130.04262	1.0
131.05032	2.9
132.02194	0.9
133.02945	1.0
135.04564	0.6
145.02950	1.8
147.04539	15.8
149.02425	0.9
157.02957	0.6
158.03777	3.1
159.04538	7.5
160.01743	0.6
161.02411	1.3
163.03996	1.2
173.02448	1.9
174.03236	1.6
175.04021	80.8
176.04382	4.1
177.01910	0.6
177.05597	5.6
185.02423	0.7
190.02675	1.5
191.03520	6.9
201.02148	0.6
203.03525	51.9
204.03879	3.1
218.02167	0.5
219.01176	0.5
219.02968	3.1
221.04582	11.0
222.04953	0.6
247.02487	100.0
248.02852	4.9
273.00394	0.6
291.01501	23.0
292.01791	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1607
Annotation	Mesembrine
Peak:m/z	Relative Intensity
57.60048	0.3
59.01384	0.4
69.74290	1.1
69.74710	0.6
71.01407	0.3
71.23368	0.3
73.84949	0.3
81.03456	1.7
89.00308	0.4
92.05074	1.6
93.03481	2.4
93.40465	0.3
107.03758	0.6
108.02206	0.8
108.04565	6.6
109.02960	6.4
109.30666	0.3
120.08223	0.3
121.02960	0.6
124.01711	0.5
125.02488	0.9
126.02850	0.3
134.01430	0.5
134.02498	34.5
135.03313	9.0
136.04062	43.6
137.02483	1.5
137.04379	0.9
141.93211	0.3
148.04024	0.8
148.53476	0.3
149.04843	1.1
160.98814	0.6
176.03532	4.3
176.07079	0.4
177.04262	0.3
187.07603	0.3
188.98376	0.6
216.97838	0.9
217.01564	0.4
243.55350	0.3
252.18677	0.3
260.16586	0.5
280.31284	0.3
287.98663	1.5
288.16089	100.0
288.96167	0.7
288.99304	0.4
289.16409	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	288.9969
Annotation	3-O-phosphonohexaric acid
Peak:m/z	Relative Intensity
51.66988	4.4
70.45676	6.6
70.46006	10.1
71.01389	4.6
78.95920	49.1
87.00909	5.0
88.69211	5.0
96.96004	13.4
96.96972	100.0
98.20475	6.0
105.23296	4.9
107.37125	4.5
109.72821	4.6
115.16882	4.3
116.83177	4.4
122.22728	5.1
123.98705	5.0
128.03574	10.7
133.22607	6.0
142.99870	20.4
173.00967	16.5
222.62952	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	287.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16719	0.7
57.03452	17.7
62.36813	0.8
65.00335	6.1
77.08150	0.7
81.03482	4.5
83.01395	10.7
89.24503	0.6
93.03471	3.1
95.01414	1.0
101.02457	0.7
107.01402	4.6
108.02205	0.9
109.02986	4.4
111.00861	1.4
119.05019	0.9
121.02991	0.8
123.00900	0.9
123.04520	2.1
124.01709	3.6
125.02457	100.0
126.02766	1.9
130.48105	0.8
131.05042	2.6
133.02954	2.6
134.03813	1.1
135.04567	1.9
145.67596	0.8
149.06142	0.9
151.00362	8.1
152.01167	9.2
153.01945	0.9
156.05779	1.1
157.06578	2.0
158.03731	1.3
159.04533	1.8
169.01334	1.1
172.05328	2.4
173.06114	6.9
175.04166	1.2
177.05577	17.4
178.99875	5.4
187.07654	1.0
199.07645	2.8
201.05583	9.0
203.03589	1.0
203.85141	0.8
215.07166	5.1
219.06631	1.5
229.49454	0.7
235.88638	0.8
241.05104	1.5
243.06633	13.0
259.06125	64.5
260.06451	3.0
269.04596	1.7
286.98575	1.3
287.05618	40.1
288.05862	2.2
289.25775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0776
Annotation	Dianthoside
Peak:m/z	Relative Intensity
52.81755	1.2
55.01884	5.7
55.38550	1.3
55.95220	1.3
57.03456	4.5
58.88662	1.4
59.01387	8.7
64.90716	1.6
68.99828	1.8
69.03462	8.0
70.09892	3.1
70.10276	3.1
71.01392	66.4
73.02954	17.9
81.03439	1.9
83.01399	7.8
85.02959	29.7
89.02433	3.2
95.01404	7.9
97.02962	24.8
99.00862	6.5
100.76710	1.4
101.02451	30.8
108.02187	4.6
109.02531	1.3
113.02470	26.0
125.02458	100.0
126.02803	1.7
155.02513	1.6
159.02994	6.5
161.04567	27.0
230.94138	1.6
286.98727	1.7
287.06839	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	285.2074
Annotation	Hexadecanedioate
Peak:m/z	Relative Intensity
51.86443	0.8
59.01373	2.9
61.98822	0.9
65.00332	2.5
69.36693	6.0
74.35373	0.8
78.95919	2.3
83.01420	1.0
96.96025	0.9
101.60546	0.7
104.48631	0.7
104.64649	0.8
107.01398	3.9
108.02187	1.9
121.11121	0.7
125.02390	0.9
133.02968	22.5
134.78610	0.9
149.02455	1.8
151.00398	6.5
152.01157	1.5
152.91733	2.5
153.01988	1.1
175.04018	2.6
199.04024	3.4
201.01848	0.8
203.02391	1.3
215.03575	1.4
217.05028	2.0
221.19086	1.2
223.20688	61.8
224.21075	3.9
229.04990	0.9
241.05040	1.0
241.21701	1.5
243.02992	0.8
267.19672	33.9
268.20004	1.9
285.04059	68.1
285.20743	100.0
285.27078	4.3
286.04410	5.1
286.21085	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01373	0.5
70.03002	0.9
72.40604	0.4
74.04266	0.4
74.06120	2.1
74.84047	0.4
74.85252	0.4
94.10651	0.4
97.05788	0.4
98.20670	0.9
106.17330	0.4
118.05110	0.9
124.60873	0.4
125.02460	1.0
147.00800	0.5
148.05453	0.4
151.03716	0.4
159.00937	0.5
187.00395	0.7
230.99496	0.6
240.23363	2.8
242.21242	1.3
242.99103	0.5
268.22641	0.8
286.04474	2.5
286.23892	100.0
286.98376	4.2
287.24271	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	285.0983
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00849	1.1
57.03455	1.9
58.00596	3.2
59.01385	100.0
63.44003	1.1
65.00330	1.2
66.03497	1.3
71.01389	49.2
71.57157	1.3
72.99316	3.7
73.02975	2.0
74.99120	1.0
79.95800	1.1
83.01428	1.3
83.05031	2.6
85.02974	7.4
87.00894	3.7
89.02453	72.7
90.98601	1.9
95.01431	1.2
97.02981	1.1
98.95625	1.4
101.02459	20.7
105.89378	1.0
107.01408	1.7
108.02187	21.1
108.65839	1.0
109.02982	4.7
113.02456	17.4
119.03519	24.4
119.04993	7.1
120.99680	11.3
121.02937	1.2
123.00877	1.1
123.04481	1.2
125.02416	1.4
128.48520	1.1
131.03549	2.5
133.02966	4.8
143.03542	3.2
149.04553	3.2
151.00404	1.6
152.01173	12.9
153.01967	6.0
153.03825	2.0
161.04573	5.0
175.03935	1.9
179.05623	10.6
213.12473	1.4
219.75999	1.0
222.27806	1.0
225.16151	4.1
257.35883	1.3
280.73129	1.0
284.26743	4.4
285.03702	19.4
285.06329	7.0
285.09866	2.5
285.27136	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83828	0.7
59.01385	100.0
60.01722	1.1
71.01390	17.5
71.56616	1.0
72.99319	2.2
73.02975	1.2
81.03500	0.8
83.01423	1.0
83.05040	3.3
85.02966	3.4
87.00906	2.6
89.02452	26.6
90.98580	1.7
95.01422	1.1
96.96045	0.9
98.95638	1.4
101.02449	7.6
107.01398	1.0
108.02187	14.5
108.02910	0.9
109.02997	3.6
113.02465	6.9
114.05567	0.9
119.03543	9.2
119.05028	19.4
119.07899	0.7
120.05387	0.9
120.99670	36.8
123.04563	1.0
125.06141	1.0
133.02988	2.9
135.02701	0.9
142.06706	0.8
143.03543	1.6
149.97627	0.7
151.00465	1.2
152.01180	9.1
153.01973	5.3
153.03896	0.9
153.09250	0.8
159.06488	0.9
161.04634	1.4
163.04045	3.6
165.05664	0.8
175.04018	0.9
179.05583	4.4
187.06181	0.9
205.07108	2.0
209.08311	1.1
213.12521	1.9
223.20773	0.8
225.16064	10.2
241.05197	1.1
263.24713	0.7
285.00497	0.9
285.03479	6.7
285.06342	7.9
285.09949	2.2
285.27261	2.3
286.04785	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0617
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
71.01913	1.2
108.02183	85.1
109.03000	11.0
121.02960	1.1
133.02959	0.9
140.37743	0.7
151.04024	2.4
152.01167	61.1
153.01956	38.3
154.02318	1.4
163.04037	1.8
165.01929	1.0
169.10275	0.6
172.80902	0.6
173.33676	0.6
263.18607	0.6
285.06177	100.0
286.06503	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	285.0408
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.46600	0.1
52.71818	0.1
62.60195	0.1
63.02401	0.9
65.00329	3.0
69.27361	1.0
73.80859	0.1
77.03979	0.2
79.01895	0.1
81.03466	0.2
83.01389	1.7
85.04814	0.1
101.08434	0.1
105.03481	0.8
107.01398	5.1
109.02969	0.1
121.02979	1.1
131.05052	0.1
132.02182	0.6
133.02965	28.1
134.03300	0.9
143.05034	0.4
145.03061	0.2
147.04514	0.3
149.02444	3.9
150.02757	0.2
151.00377	9.0
152.00751	0.3
155.05074	0.2
157.02951	0.1
157.06584	0.1
159.04587	0.1
161.06172	0.1
163.04019	0.1
167.05070	0.2
169.01540	0.1
169.06555	0.2
171.04546	0.7
173.02414	0.2
173.06029	0.1
174.03152	0.2
175.04012	5.2
176.04353	0.4
177.01949	0.2
178.86632	0.1
185.06094	0.5
187.03978	0.2
189.05612	0.2
195.04611	0.1
196.05235	0.1
197.06093	0.5
198.03218	1.0
199.04013	4.1
200.04320	0.2
201.01950	1.7
211.04005	0.4
212.04878	0.1
213.05602	0.8
214.02640	0.2
215.03537	0.6
217.05057	2.5
218.05385	0.1
223.04047	0.5
226.02721	0.1
229.05048	0.4
239.03464	0.3
240.04294	0.2
241.05042	1.4
242.02231	0.2
243.02957	1.0
257.04559	0.5
267.03030	0.5
267.14578	0.1
275.58774	0.1
285.04056	100.0
286.04395	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	285.0619
Annotation	2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
Peak:m/z	Relative Intensity
71.01153	0.7
81.03464	0.6
83.34871	0.4
93.03435	0.6
108.02189	100.0
109.02997	17.6
113.47064	0.4
120.86957	0.4
121.02921	0.7
133.02957	1.1
135.00900	0.5
151.04001	1.8
152.01170	62.5
153.01965	32.2
154.02307	1.0
163.04039	0.5
165.01976	1.3
285.06183	60.0
286.06479	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	285.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17094	0.2
58.99210	0.2
63.02396	0.7
65.00331	3.0
69.38812	0.2
70.35359	0.2
71.02519	0.2
71.02843	0.3
83.01400	1.7
90.18757	0.2
105.03464	0.6
107.01402	4.8
121.02970	1.2
132.02184	0.5
133.02966	27.1
134.03281	1.0
143.05048	0.3
147.04555	0.4
149.02448	3.9
151.00377	9.4
152.00697	0.2
157.02948	0.2
157.06630	0.2
157.69167	0.2
169.06596	0.4
171.04486	0.7
173.06137	0.2
175.04012	5.6
175.05533	0.3
176.04610	0.2
185.06087	0.7
187.04138	0.2
189.05548	0.4
197.06099	0.6
198.03214	0.7
199.04024	4.1
200.04355	0.2
201.01976	1.4
208.31171	0.2
211.03992	0.3
213.05608	0.8
215.03481	0.8
217.05077	2.6
223.03999	0.5
224.04697	0.2
226.02827	0.3
229.05106	0.5
239.03403	0.3
241.05038	1.8
243.03018	1.0
251.84961	0.2
257.04605	0.8
267.02914	0.4
285.04056	100.0
286.04401	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	285.0403
Annotation	Luteolin
Peak:m/z	Relative Intensity
61.71535	0.1
63.02407	1.1
65.00330	3.4
68.74529	0.1
70.33463	0.1
73.65549	0.1
77.03963	0.2
77.16736	0.1
81.03465	0.2
83.01395	1.7
84.99329	0.1
93.03471	0.3
95.05033	0.1
105.03470	0.7
107.01402	5.2
109.02993	0.1
121.02966	1.3
127.58548	0.1
131.05028	0.1
132.02194	0.7
133.02969	30.6
134.03302	1.0
139.04076	0.1
143.05031	0.3
145.02966	0.1
145.06644	0.1
147.04544	0.3
148.01656	0.2
149.02457	3.7
150.02753	0.2
151.00383	9.3
152.00734	0.3
155.05078	0.1
157.03006	0.2
157.06622	0.2
159.04509	0.1
161.06073	0.1
163.04016	0.1
167.05080	0.1
169.01628	0.1
169.06595	0.3
171.04564	0.5
173.02434	0.4
173.06128	0.2
174.03246	0.2
175.04016	5.3
176.04370	0.2
177.01938	0.2
183.04578	0.1
185.06096	0.4
187.03995	0.2
189.05573	0.2
195.04536	0.2
196.05301	0.2
197.02802	0.2
197.06096	0.7
198.03262	0.8
199.04024	3.8
200.04410	0.3
201.01949	1.8
211.04036	0.4
212.04716	0.2
213.05582	0.7
214.02840	0.1
215.03537	0.7
217.05064	2.5
218.05461	0.1
223.04066	0.5
224.04608	0.1
226.02788	0.2
229.04993	0.4
239.03487	0.2
240.04286	0.2
241.05098	1.4
242.02206	0.2
243.03012	1.3
257.04572	0.6
267.03073	0.4
268.03571	0.1
284.03394	0.1
285.04068	100.0
286.04410	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	285.0404
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.41695	0.1
57.31366	0.1
58.35961	0.1
63.02407	1.0
65.00005	0.2
65.00330	2.9
66.34381	0.1
66.37740	0.1
75.91885	0.1
77.03967	0.2
79.01900	0.2
81.03480	0.2
83.01401	1.6
93.03471	0.2
95.05920	0.1
98.20684	0.2
105.03484	1.0
107.01406	5.0
108.01711	0.1
109.03017	0.1
115.01880	0.1
119.04967	0.2
121.02967	1.2
132.02153	0.6
133.02971	29.6
134.03311	1.1
143.05020	0.3
145.02985	0.2
145.06631	0.1
147.04549	0.2
149.02457	3.6
151.00381	9.4
152.00745	0.4
154.04282	0.1
161.06082	0.1
163.03989	0.1
169.06583	0.3
171.04552	0.7
173.02435	0.2
173.06082	0.2
174.03242	0.3
175.04018	5.4
176.04355	0.2
177.01967	0.2
185.06059	0.6
187.03999	0.2
189.05608	0.3
195.04428	0.2
197.06047	0.5
198.03256	0.7
199.04034	4.0
200.04359	0.2
201.01965	2.0
211.04018	0.3
212.04654	0.2
213.05598	0.8
214.02673	0.2
215.03569	0.8
217.05069	2.6
218.05417	0.1
223.03979	0.4
226.02718	0.2
229.05083	0.3
239.03445	0.3
240.04286	0.3
241.05092	1.6
242.02359	0.2
242.04915	0.1
243.03020	1.3
257.04669	0.6
267.02963	0.5
285.04074	100.0
286.04398	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	284.0237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47931	0.7
64.93484	0.7
67.68848	0.8
72.99316	8.4
75.00862	0.8
79.95744	9.2
80.28571	0.7
80.76953	0.8
84.92947	0.7
96.96027	4.8
98.20659	2.3
107.93700	0.7
109.91030	0.8
111.67062	0.8
116.05076	14.8
116.25340	0.7
121.06196	0.7
128.05072	5.9
130.06644	6.3
132.04489	0.8
142.06635	46.5
143.06937	2.0
144.04616	1.2
158.06126	38.3
159.06424	0.9
186.05598	14.6
196.00623	1.0
204.06665	77.9
205.07002	3.5
210.02333	11.8
213.61804	0.7
213.89955	0.7
222.02296	18.6
223.02658	0.9
229.37315	1.0
238.01756	3.0
266.01157	1.0
283.26392	1.0
284.02356	100.0
285.02658	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	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16301	0.9
55.20118	1.0
58.44816	0.9
59.01386	100.0
63.96222	2.5
65.23435	1.0
69.81628	5.6
70.86065	1.1
71.01389	6.0
72.99304	2.6
73.01185	14.7
73.98345	1.3
74.20396	1.0
74.99101	35.8
75.02314	1.1
80.96554	1.3
83.01401	1.1
85.02962	1.5
87.00890	1.5
89.02427	1.8
95.01395	1.2
96.96032	1.1
99.00903	7.5
101.02447	3.1
109.02956	4.0
113.02433	2.3
117.97385	2.2
119.03526	1.4
119.05018	1.7
120.99708	2.2
121.52304	1.1
125.02438	4.7
135.98370	2.3
136.99159	35.7
137.02477	8.7
147.04552	2.2
149.02444	1.0
149.06107	2.5
149.58815	1.1
153.90962	1.0
161.02740	1.3
161.04478	1.6
163.04054	1.1
175.03973	2.2
177.01906	1.2
191.03522	29.4
193.01443	1.2
193.05101	14.2
193.08957	1.1
219.02957	7.2
221.10287	3.0
237.04059	33.2
238.04320	1.6
268.46799	0.9
281.03018	9.7
281.06775	3.6
281.10696	7.1
287.73999	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40213	0.8
57.03456	1.0
58.00592	5.4
59.01385	98.5
71.01387	67.4
72.99310	7.3
74.12312	0.9
75.00863	1.0
79.95742	2.2
85.02951	4.4
87.84983	0.9
89.02451	100.0
90.02783	1.4
96.96015	3.9
100.61173	0.7
101.02444	7.1
107.05045	2.6
113.02441	6.9
116.05064	4.5
119.03522	2.5
121.02964	1.1
123.00948	1.1
128.05070	1.1
130.06631	2.5
131.03511	6.6
142.06625	13.2
149.04552	4.2
151.04030	4.0
158.06114	10.0
186.05580	4.1
195.98457	1.4
204.06662	20.8
210.02299	2.5
222.02397	4.6
275.54092	0.9
283.08282	23.8
283.15402	1.1
283.26440	60.8
284.02371	27.0
284.26791	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	281.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59513	2.2
55.01915	4.3
56.70449	2.3
57.03452	5.1
58.99596	3.5
59.01386	100.0
69.03457	4.0
70.71855	2.7
70.72199	6.0
71.01390	88.4
71.01784	4.7
72.99308	4.5
73.01155	2.8
73.02950	25.8
74.99105	8.3
75.00877	2.9
77.98515	2.3
78.95932	5.5
80.96526	5.5
83.01386	14.0
85.02966	36.9
87.00884	8.3
87.04529	4.0
89.02457	48.1
94.32879	2.5
95.01411	10.2
96.96986	6.3
97.02964	5.2
98.97385	3.8
99.00896	39.7
99.04567	2.5
101.02460	68.3
103.03977	2.2
107.04975	2.8
109.02953	15.3
111.00906	4.4
111.04518	2.7
113.02476	41.2
115.04033	4.7
119.03528	20.7
119.05048	4.3
119.07164	12.3
120.99683	7.3
123.04494	2.7
124.01601	2.8
125.02444	34.0
131.03549	3.1
133.05121	11.0
136.99159	5.5
137.02475	32.3
143.03500	5.9
147.04491	5.5
149.02489	3.0
149.06129	4.3
150.04214	7.4
151.04022	3.6
159.02986	9.7
161.04576	37.1
163.04034	5.0
164.04616	2.3
165.05490	4.6
169.01430	9.7
171.48962	2.1
175.04018	7.4
177.01987	6.1
177.05557	2.9
178.02719	3.2
179.05634	5.3
181.01495	4.8
188.88622	2.6
191.03522	24.9
193.05139	22.6
219.03047	7.4
237.04077	59.2
237.07658	3.2
251.07903	2.6
260.10962	2.5
263.01901	2.4
281.03232	23.8
281.06357	3.6
281.09210	4.7
281.12396	35.1
282.12738	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	279.2332
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
59.01383	0.5
64.93633	0.3
69.83755	0.5
69.84159	1.0
79.63883	0.3
119.01412	0.4
119.02258	0.3
129.44234	0.2
135.00952	0.3
141.37236	0.2
156.64345	0.2
163.00383	0.8
175.52827	0.2
261.22293	0.3
275.33243	0.2
279.23303	100.0
280.23654	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	281.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10187	0.7
50.36468	0.8
52.93630	0.7
55.01886	5.6
55.94645	0.8
57.03449	2.3
58.00590	1.7
59.01385	28.0
69.03452	1.2
69.37991	4.9
69.38395	1.2
71.01392	32.6
72.99307	2.3
73.01148	1.0
73.02955	8.1
74.99115	5.1
75.00896	0.9
76.90148	0.9
77.20475	0.8
78.95919	1.2
80.96525	1.7
81.03480	1.8
83.01401	4.5
85.02956	12.8
87.00892	1.3
89.02459	10.1
93.03465	2.0
93.04002	0.9
95.01379	4.0
95.05167	0.8
96.96977	2.2
97.02934	1.8
98.97409	1.3
99.00892	59.5
100.01192	1.1
101.02457	23.0
107.05033	2.2
109.02964	23.1
111.00878	5.9
113.02458	14.1
119.03542	3.9
119.04984	1.6
119.07139	4.7
120.99696	2.4
121.02937	1.8
121.06641	1.0
123.00912	1.5
123.04533	1.7
125.02463	45.6
126.02792	1.1
135.04547	2.0
135.98318	0.9
136.99176	7.1
137.02458	50.7
137.06081	2.1
138.02750	1.5
139.04041	1.4
143.03513	2.8
145.02995	1.6
147.04524	5.5
149.02417	2.0
149.06076	3.4
151.03987	2.8
159.02953	2.3
161.02554	1.6
161.04579	15.0
163.04036	4.8
165.01945	0.8
165.05568	3.3
169.01445	13.9
174.03204	1.2
175.04056	9.9
177.01941	6.9
177.05632	0.8
178.02693	2.0
179.05620	1.1
181.01422	4.2
190.02763	1.9
191.03519	41.1
192.03937	1.6
193.05070	30.2
194.05350	1.1
213.54924	0.8
214.93814	0.8
219.03018	13.5
221.00819	0.9
235.02496	2.8
237.04059	100.0
238.04323	5.2
263.01904	1.0
281.03040	27.1
281.06787	5.2
281.12524	7.7
282.03442	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27852	0.6
57.03427	0.6
58.99591	0.9
59.01382	1.9
71.01379	1.0
71.05031	1.4
71.56669	0.7
81.03446	0.7
85.02961	6.6
87.00883	6.2
92.55965	0.6
94.55313	0.6
96.96030	14.6
99.28976	0.8
99.69343	0.6
101.02391	0.7
101.86839	0.6
102.98610	2.2
103.28325	0.6
111.08154	1.4
113.06104	4.0
115.04021	0.6
119.05057	0.7
120.99679	16.3
124.68174	0.6
124.87339	0.6
128.35883	0.6
129.07405	1.3
133.02922	0.7
137.09747	0.9
139.07651	1.2
145.07724	4.8
157.08722	59.6
158.09026	2.5
161.02475	1.0
173.06386	1.0
175.04172	0.6
176.04768	0.8
177.01973	0.9
191.07497	59.8
192.07718	1.7
199.09715	2.0
205.01411	1.0
207.02846	0.7
233.00917	1.1
234.05328	0.9
235.02565	1.1
235.06252	1.0
257.88315	0.6
261.00351	3.3
279.05539	13.8
279.09076	100.0
280.09396	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	279.1089
Annotation	Hymenoside W
Peak:m/z	Relative Intensity
50.61146	0.8
55.88567	1.1
57.03448	0.9
58.00600	3.4
59.01389	100.0
70.52868	1.8
70.53209	2.3
71.01392	53.9
71.05071	1.0
72.99332	3.6
73.02950	1.9
74.99122	2.6
75.00864	1.1
78.95905	1.1
83.01402	2.5
84.70930	1.0
85.02964	8.4
87.00903	2.3
87.04527	1.1
89.02458	66.0
95.01408	3.5
96.96992	3.1
99.00904	1.1
99.04540	1.8
101.02455	32.5
105.69145	0.9
113.02464	22.1
117.05586	9.8
119.03525	28.8
120.99666	2.3
124.80020	1.0
131.03555	1.9
136.99138	1.1
143.03519	3.1
149.04578	2.9
163.03967	2.0
176.04768	1.1
179.05650	2.5
191.03551	3.2
207.03094	1.5
212.35295	0.8
235.02426	4.7
236.03023	0.9
275.89197	1.1
279.01776	1.2
279.05298	2.6
279.10925	37.9
280.11359	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	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.68350	0.3
56.27007	0.3
59.01387	1.0
60.25601	0.3
89.00339	0.8
98.19933	0.9
108.43538	0.4
116.56071	0.3
160.98842	0.6
188.98378	0.6
230.08968	0.4
232.97203	0.5
233.22691	0.4
275.20032	0.5
277.21744	100.0
278.22070	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	279.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49749	0.4
65.14279	0.4
70.87081	0.7
78.95429	1.0
78.95915	43.2
96.96971	100.0
158.19983	0.5
284.37604	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1664
Annotation	Fissoldhimine
Peak:m/z	Relative Intensity
59.01383	7.2
59.16571	0.5
60.97494	0.6
61.61161	0.5
61.98848	0.7
65.00340	1.5
70.03815	1.0
70.04182	2.6
71.01382	0.5
77.00355	0.7
78.95906	0.7
85.02906	0.5
89.00334	10.0
92.99825	3.5
95.01396	1.4
103.02223	1.5
104.94714	0.6
104.99857	0.7
116.99819	3.0
117.03478	1.7
119.01371	0.7
121.03164	4.0
136.56082	0.5
144.99330	0.6
146.99393	0.9
147.08473	5.2
152.91734	1.5
160.98830	8.6
161.02473	1.9
165.00468	12.7
176.98369	0.6
178.99860	0.9
180.99988	0.7
181.74364	0.5
188.98344	3.1
189.01944	0.8
189.04204	0.8
191.04008	0.9
191.05661	10.9
192.05933	0.8
194.92723	3.0
203.94888	0.5
204.97794	6.4
205.01427	1.6
205.07271	1.6
205.16010	2.1
206.99356	1.2
217.07114	0.6
231.08849	1.9
232.97324	5.7
233.00999	4.4
233.10355	100.0
234.10497	7.7
259.15604	0.7
276.93427	0.8
276.96298	3.7
277.00049	1.1
277.03296	1.2
277.16486	84.9
277.21750	6.8
278.16678	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	277.2172
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
55.72915	0.2
59.01381	2.0
61.12826	0.2
65.00314	0.4
68.40987	0.2
71.01395	0.6
74.78217	0.2
89.00322	1.1
92.99823	0.3
94.04135	0.2
116.99818	0.3
121.61568	0.2
127.07588	0.4
138.70117	0.2
160.98831	0.9
175.38065	0.3
177.02109	0.2
178.99954	0.2
204.30301	0.3
204.97720	0.6
205.01346	0.2
205.15927	0.4
232.97261	0.7
233.00914	0.5
233.22784	0.5
275.20190	0.5
276.96347	0.5
276.99869	0.3
277.21729	100.0
278.22076	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	277.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	9.9
57.03454	7.9
58.00591	3.3
58.58904	0.7
59.01386	57.8
60.01728	0.9
67.11546	0.7
68.99780	0.7
69.03458	1.3
70.74493	1.6
71.01389	99.6
72.01721	1.2
72.99319	5.6
73.02953	39.6
75.00882	2.2
75.47577	0.7
80.96516	1.5
81.03473	0.9
83.01402	20.9
85.02959	52.7
85.06646	1.0
86.00124	1.0
87.00883	5.8
89.02451	11.9
95.01405	7.5
96.97003	0.9
97.02959	2.6
99.00897	20.6
101.02454	100.0
102.02745	1.1
110.06117	1.1
111.00903	2.7
111.04549	1.0
113.02463	40.8
115.07682	4.3
117.03478	1.6
118.24965	0.7
119.03543	4.1
120.99674	8.7
121.02966	2.9
125.02456	2.6
129.01944	2.8
131.03461	1.1
133.02968	2.1
143.03481	3.6
147.04568	0.7
149.04674	0.7
155.07056	0.9
159.03038	8.2
160.98882	1.5
161.02420	2.0
161.04567	27.0
162.04929	1.0
163.65508	0.7
177.01949	6.1
178.99806	0.8
189.01953	1.6
189.05829	2.3
191.03548	1.1
205.01434	2.6
205.03429	1.2
205.05273	0.8
214.84219	0.8
232.97116	1.0
233.00975	3.5
233.04538	0.9
234.07811	0.8
258.98651	0.9
277.00018	1.9
277.03482	6.0
277.07349	2.0
277.12936	15.1
277.21780	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	277.123
Annotation	Pantetheine
Peak:m/z	Relative Intensity
50.12129	0.5
58.02967	3.3
70.02985	12.6
71.01399	1.9
71.05029	23.4
74.99131	0.7
87.05653	8.3
89.13393	0.5
90.98627	0.7
99.04537	7.6
100.12270	0.5
108.48975	0.5
114.05750	0.6
115.05157	1.2
116.07168	3.6
121.02972	0.9
127.05929	0.9
129.05605	2.0
130.03336	12.8
134.52550	0.5
140.33273	0.5
145.06950	0.7
146.08247	100.0
147.05984	5.1
147.08609	1.8
161.02467	1.2
177.02010	0.9
178.99942	0.6
189.05701	0.8
205.01405	2.0
212.35599	0.5
217.11937	26.0
218.12144	1.2
221.27278	0.5
233.00957	1.4
253.35655	0.5
276.99966	3.1
277.12277	39.7
278.12759	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0931
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
55.01892	7.7
57.03455	6.5
58.00623	1.5
59.01387	42.2
59.99679	1.3
61.43221	1.5
69.03464	2.0
71.01391	100.0
71.05029	6.6
72.99320	4.9
73.02956	27.2
74.99112	1.4
75.00869	3.3
76.44427	1.2
78.95908	13.6
83.01397	13.3
84.04547	1.5
85.02962	48.2
87.00896	5.5
87.04536	2.0
89.02448	15.4
95.01391	8.4
96.96976	29.5
97.02963	1.9
99.00887	15.0
101.02456	63.2
106.72225	1.4
113.02469	45.6
115.04025	52.1
119.03522	3.7
120.99651	5.7
125.02463	3.5
128.03554	2.8
129.01988	1.5
135.04555	1.6
143.03564	3.2
145.02910	2.3
148.04085	2.2
149.02499	2.1
159.02965	6.6
160.98744	1.5
161.02519	1.9
161.04570	29.4
164.68240	1.4
165.43158	1.7
177.01944	2.2
182.96892	1.3
189.02179	2.4
205.01299	1.9
205.05078	1.7
207.02361	1.4
233.00826	2.5
233.10262	6.2
276.99701	2.9
277.03546	5.7
277.09302	23.2
277.21637	1.8
278.09692	1.8
279.33636	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	277.0331
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01367	0.7
71.55592	0.8
74.99119	0.6
78.95911	44.5
85.02959	0.5
96.96970	100.0
120.99656	1.9
233.00645	0.6
276.99341	0.9
277.03381	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9372
Annotation	Unknow
Peak:m/z	Relative Intensity
71.55676	1.2
72.61469	0.8
78.95909	93.5
79.60758	0.9
89.39909	1.1
94.39763	1.1
96.96030	1.6
96.96966	15.8
136.94957	1.7
178.96101	10.3
189.52414	1.0
196.92636	8.5
197.92694	1.2
198.90547	100.0
199.90585	5.0
213.89359	1.0
214.93690	14.0
216.91435	17.4
234.92532	1.2
240.91597	27.3
241.91734	1.8
258.92654	75.6
259.92661	5.0
269.59256	1.0
276.83801	3.0
276.98853	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	274.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61493	0.7
57.03463	1.1
63.82119	0.7
69.03450	0.8
69.89297	3.2
71.01379	0.7
72.04556	14.0
74.93513	0.7
77.31798	0.7
78.95920	1.2
81.02229	0.7
82.02988	13.2
83.01395	2.6
85.79917	0.7
92.13474	0.8
93.22762	0.8
98.02492	38.0
98.06128	2.7
100.04057	3.3
100.07686	9.9
106.63342	0.8
111.04518	1.1
113.02440	1.3
118.28834	0.8
125.02454	0.9
126.21444	0.9
128.03557	2.8
128.07097	0.9
128.10828	20.3
129.05582	1.7
129.11166	1.1
146.08250	31.6
148.07729	6.5
150.09293	0.9
156.10295	3.4
164.07127	1.3
166.08746	20.4
167.09100	0.9
176.07138	0.9
177.05705	0.9
182.08244	4.6
184.09790	12.4
212.09308	100.0
213.09674	4.0
228.08791	7.4
230.10350	20.5
231.10609	1.2
256.08282	3.0
274.09348	48.2
275.02002	2.1
275.09839	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.02
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
59.19757	0.5
69.55574	3.0
82.62535	0.4
98.19860	0.7
103.05483	0.5
119.05076	0.8
123.94785	0.4
129.03479	0.8
141.03455	0.7
145.02960	2.1
147.04518	3.6
154.86290	0.5
157.02959	1.7
159.04553	1.4
161.02422	0.7
163.04037	1.5
173.02486	3.5
174.03076	0.6
175.04063	2.8
183.52469	0.4
185.02505	2.7
189.01973	0.7
190.02734	1.0
191.03540	2.9
201.01978	6.9
202.02592	1.5
203.03534	7.8
205.01360	0.6
213.01988	0.8
219.03003	3.1
222.21912	0.4
229.01440	22.3
230.01923	0.7
231.03000	2.4
247.02412	1.4
257.00940	20.3
258.01675	9.1
259.02222	0.6
274.01266	0.7
275.02005	100.0
276.02319	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	275.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14792	0.5
59.01396	0.9
65.00335	3.9
70.11314	1.7
79.95739	3.9
80.96529	2.2
91.01941	1.6
93.03481	2.1
100.07769	0.5
111.00937	0.5
115.05585	1.0
117.03481	10.7
119.01395	1.2
121.02940	2.4
123.00900	0.5
123.67545	0.5
129.03514	1.3
130.04257	1.5
131.05070	3.0
141.03484	0.8
145.02969	3.3
147.00883	2.1
147.04579	2.7
157.02919	4.1
158.03757	7.8
159.04533	5.6
172.99187	1.4
173.02480	1.7
175.00378	1.4
175.03976	1.3
185.02296	0.5
186.03169	0.8
187.04027	100.0
188.01556	1.2
188.04347	4.6
201.01939	1.1
202.99921	4.9
203.03561	1.7
203.07181	0.6
217.59459	0.4
229.01424	1.1
230.99449	1.0
231.03000	26.7
231.06673	1.7
232.03477	0.9
234.97601	0.5
246.98758	0.8
257.00992	0.8
258.01486	0.8
274.98373	4.5
275.01956	11.0
275.06683	1.5
275.09589	18.5
275.56839	0.6
276.02542	0.8
276.09613	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0566
Annotation	CHEBI:74295
Peak:m/z	Relative Intensity
75.22012	0.4
81.19120	0.3
81.19602	0.3
89.04024	0.5
91.01938	0.6
92.46621	0.4
95.01408	0.8
104.02683	4.3
108.02195	2.0
112.67120	0.4
117.03500	1.6
119.01417	0.9
120.02202	1.7
123.04563	1.5
132.02177	0.4
133.02072	0.6
133.02985	7.7
147.00905	1.0
148.01683	1.3
154.04285	0.7
160.01707	2.3
161.02466	58.4
162.02783	2.4
174.03235	0.5
175.00366	1.0
176.01167	1.9
185.06079	0.9
189.02007	2.5
191.55878	0.3
198.03246	3.7
202.99922	2.2
203.03578	1.1
203.07147	0.8
211.04045	1.4
213.05582	7.6
214.02704	0.5
229.01643	0.7
229.05060	6.6
231.06651	100.0
232.06979	5.5
257.04645	1.8
274.98380	2.4
275.02216	3.0
275.05640	57.8
276.05875	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	269.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26249	1.8
55.01885	11.4
57.03459	7.0
59.01109	3.6
59.01387	53.5
69.77007	12.6
70.43195	2.0
71.01389	100.0
71.01785	4.9
72.99323	4.1
73.02957	40.3
81.03458	2.6
83.01393	22.6
85.02960	55.0
87.00875	6.2
89.02419	4.6
90.51986	2.4
95.01403	8.4
97.02962	2.5
97.54192	2.4
98.20663	3.4
99.00903	18.0
101.02455	73.1
113.02464	44.9
125.02453	4.1
129.01938	3.0
140.03600	2.4
143.03549	3.8
151.04031	2.5
159.03006	7.8
161.04590	24.6
166.06357	4.2
167.07474	2.3
179.41438	2.1
261.76215	2.5
269.06516	2.6
269.10327	7.2
269.25043	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	269.1761
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
50.24338	0.6
57.03458	5.0
59.01376	1.5
70.90639	0.7
71.01389	2.8
71.05026	3.7
71.19735	1.4
72.02169	2.5
73.02940	1.4
85.02960	1.9
87.04524	100.0
88.04859	1.2
99.04514	4.2
100.02482	0.8
101.02403	1.1
103.55501	0.9
107.01418	1.1
117.03479	2.6
125.09691	0.9
126.09456	0.7
130.63080	0.7
137.09724	1.4
149.02470	0.7
151.00342	1.8
158.99257	0.8
159.71494	0.8
164.46797	0.7
185.99629	0.9
189.16507	0.9
207.17566	7.8
209.15585	0.9
225.18770	0.8
269.01486	1.1
269.04581	13.6
269.07916	1.3
269.08459	1.8
269.17612	54.1
269.21103	3.8
269.25012	2.0
270.17944	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	270.9862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62829	1.5
52.12971	1.6
65.30014	1.6
70.74905	2.6
70.75243	3.3
71.01378	8.0
72.47403	1.5
74.99147	1.7
78.95914	46.4
96.96974	100.0
99.00897	2.1
112.98858	1.9
115.00348	1.8
120.99643	3.3
124.98817	5.9
140.98317	1.7
142.99889	58.5
144.02827	1.7
167.08705	1.6
173.00946	19.6
187.12898	1.7
287.77817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0614
Annotation	Naringenin
Peak:m/z	Relative Intensity
59.01402	0.6
63.02405	12.0
65.00331	21.6
69.38960	3.2
69.39366	1.3
83.01387	12.9
89.85656	0.5
93.02869	0.7
93.03468	15.4
95.01443	0.9
107.01404	28.2
117.03490	0.9
119.05038	84.6
120.05385	2.1
121.02935	0.9
125.02448	2.3
131.10904	0.7
137.02426	0.7
141.42041	0.6
145.02968	1.6
151.00391	76.1
152.00761	2.1
161.06160	0.9
165.01923	4.1
168.00677	1.0
169.01466	3.8
169.02650	0.7
177.01984	10.0
185.06097	1.9
187.04033	2.5
188.20168	0.5
197.02798	3.1
198.03690	0.9
211.02440	4.0
271.06165	100.0
271.10126	7.1
271.15607	2.2
272.06512	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
56.39673	0.5
69.70991	2.9
71.97464	0.5
76.17999	0.5
79.77479	0.5
93.03443	0.7
95.01423	0.6
108.02174	1.4
111.00914	0.8
123.00817	0.5
125.02428	1.1
188.04300	0.5
211.20654	1.5
225.17184	0.5
225.22215	1.1
253.21771	1.4
269.21271	0.8
271.05927	0.7
271.22803	100.0
272.23215	5.9
278.13174	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0723
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01873	1.6
57.03459	4.7
58.00600	1.1
59.01385	25.9
69.03461	0.6
69.49678	3.0
71.01391	38.4
71.70506	0.5
72.99313	5.4
73.02957	1.1
74.99090	0.8
75.00884	15.0
78.95912	1.5
83.01395	0.8
84.02177	1.3
85.02960	38.9
87.00887	15.5
88.59589	0.6
89.02451	12.8
91.04018	1.6
93.67153	0.6
95.01395	6.9
99.00898	10.7
101.02464	1.6
103.00373	3.5
112.01682	1.0
113.02463	46.8
115.00384	1.9
117.01934	3.6
129.01942	3.3
131.03497	1.5
139.00391	0.6
149.04604	1.2
157.01404	1.1
160.07562	0.6
160.08867	0.5
175.02499	2.4
205.07147	0.7
207.05112	1.8
249.06216	5.2
249.08559	0.8
258.46860	0.5
267.07233	100.0
268.07663	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	269.0457
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.07457	0.2
59.18339	0.2
63.02392	1.7
65.00324	3.6
67.53524	0.2
69.55072	0.8
69.55477	0.4
75.77500	0.2
81.03474	0.3
83.01391	1.8
85.83413	0.2
93.03468	0.7
105.03476	1.0
107.01398	6.4
117.03476	24.9
118.03799	0.6
121.02969	1.5
141.03365	0.2
148.01634	0.2
149.02455	9.0
150.02811	0.2
151.00385	10.8
152.00719	0.4
155.05139	0.2
155.10809	0.4
159.04546	2.1
169.06642	0.5
180.05861	0.5
181.06636	1.5
181.08365	0.2
182.03787	0.5
183.04523	1.5
185.02420	0.4
196.05124	0.3
197.06035	0.6
201.05602	2.2
224.04724	0.3
225.05571	4.6
225.15096	0.5
226.05923	0.3
227.03476	1.7
269.04562	100.0
270.04907	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	269.0821
Annotation	Strobopinin
Peak:m/z	Relative Intensity
51.63389	0.4
55.01892	0.6
56.49333	0.4
59.01376	1.6
60.70860	0.4
62.96404	0.5
65.00332	2.6
71.01374	1.5
71.57004	0.4
72.86567	0.5
73.02955	0.6
77.03983	3.7
79.01900	11.1
83.01379	0.6
85.02985	1.0
86.96629	0.4
88.95555	0.4
90.97147	1.3
97.02956	4.9
101.02454	0.9
107.01399	0.8
109.02976	2.0
113.02467	0.4
117.03484	2.8
119.05024	0.5
121.02967	8.9
122.03749	0.8
125.02406	0.6
132.98195	1.1
133.21423	0.4
137.02452	1.9
139.04037	0.8
141.07149	0.5
145.06567	3.0
147.04538	0.8
149.02492	1.2
150.03232	1.4
151.00360	1.5
152.91734	1.0
155.08626	1.0
159.08142	1.0
165.01956	10.8
169.06578	0.8
171.04564	3.3
172.05249	0.8
178.02753	2.1
183.08156	4.6
186.95619	5.6
191.03548	1.2
194.33949	0.5
197.09709	0.6
199.07631	2.3
201.09270	0.5
210.01749	0.6
223.07739	0.6
225.05721	0.6
225.09216	5.1
225.18608	0.6
227.07187	8.8
241.08693	2.3
269.04669	13.7
269.08203	100.0
269.21231	4.4
269.24359	2.7
270.05344	0.9
270.08539	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	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.8
64.84364	0.3
67.01923	0.3
67.38460	0.3
69.03484	0.3
69.32686	0.5
69.33092	2.2
71.01405	1.5
73.02940	0.3
73.10910	0.3
73.99741	0.3
75.00878	0.4
79.95750	0.4
80.96523	0.9
81.03458	0.4
81.25974	0.3
83.01421	0.3
85.02969	1.4
87.00886	0.4
89.02460	0.8
93.03467	1.0
95.01405	0.6
96.96033	1.0
99.00896	0.4
101.02451	1.0
107.05051	0.8
108.02203	1.4
109.02984	2.3
111.00925	0.5
113.02469	0.7
113.59444	0.3
117.14864	0.2
119.05025	0.5
121.02945	0.9
121.06620	0.6
123.00913	1.0
123.04566	1.9
124.01685	5.2
125.02480	5.6
131.04999	0.5
133.06625	1.3
135.04601	0.6
135.08142	0.6
135.77040	0.3
136.01666	0.4
137.02464	6.2
138.03246	72.3
139.03575	1.8
139.15820	0.3
143.07095	0.3
146.03702	0.4
149.02470	3.5
149.06050	0.7
150.03249	5.9
151.00316	0.5
151.04054	4.1
151.07681	5.6
152.01155	1.7
152.08090	0.3
153.01938	1.2
154.02785	0.4
155.82983	0.4
159.04553	0.7
161.04796	0.4
161.06122	1.9
163.04045	1.2
164.01184	1.1
164.04810	6.3
165.05240	0.4
168.00673	0.5
169.01532	0.4
177.01888	0.4
177.05576	3.1
179.07159	100.0
180.07513	3.3
187.04044	0.5
190.02806	0.7
193.01352	0.6
199.24490	0.3
203.03569	2.2
205.05074	16.3
206.05415	0.5
207.05214	0.4
208.03799	1.5
223.02528	1.2
223.06146	20.1
224.06476	0.6
249.04027	5.3
250.04327	0.3
267.05130	45.4
268.05499	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	267.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	1.0
55.10365	0.6
56.63811	0.5
57.03448	2.6
57.40854	0.5
58.00613	0.6
58.99604	0.9
59.01386	23.2
69.79713	2.8
71.01389	23.7
72.99321	2.1
73.02955	3.0
74.99097	3.3
75.00882	8.6
80.96533	1.5
83.01404	1.5
85.02957	18.7
87.00880	10.4
89.02460	10.5
91.03997	0.7
91.42587	0.7
93.03436	0.7
95.01385	3.1
96.96008	0.9
99.00890	6.2
101.02454	6.5
103.00364	1.8
105.05580	1.4
107.05029	0.9
108.02184	1.2
109.02953	2.4
111.00897	1.1
113.02460	24.9
117.01957	1.7
119.03501	1.8
120.99662	7.8
123.04575	1.1
124.01697	3.9
125.02466	3.9
127.03988	0.8
129.01965	1.4
135.04567	2.8
136.99146	2.3
137.02509	3.5
138.03241	63.0
139.03574	1.4
145.05103	1.1
149.02457	3.4
149.04637	0.9
150.03233	5.6
151.04025	2.4
151.07664	5.8
152.01105	1.7
153.01956	2.0
161.02847	0.7
161.04564	2.6
161.06128	1.1
163.04013	1.4
164.04787	5.8
168.00591	0.8
175.02477	1.0
177.05565	1.2
179.03894	6.6
179.07153	100.0
180.07487	3.6
191.41139	0.6
203.03561	1.2
205.05078	6.9
205.06975	1.2
207.05034	1.0
208.03770	1.1
223.02530	2.2
223.06139	18.6
249.04008	4.0
249.06242	2.1
267.05075	27.0
267.07275	45.3
267.10898	1.8
268.05203	1.3
268.07657	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	265.093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76011	1.0
55.01890	2.2
56.92822	1.0
57.03467	1.0
58.00591	2.4
58.99642	1.0
59.01385	81.7
71.01389	48.6
71.56212	2.1
72.99318	5.7
73.02973	1.9
74.99091	2.5
75.00875	1.4
79.05547	4.0
79.95753	1.1
80.80256	1.0
80.96517	3.4
81.03457	1.4
83.01395	2.4
85.02958	46.2
86.03294	1.2
87.00880	4.0
89.02454	58.0
90.98593	2.8
93.03472	1.5
93.07053	1.1
95.01381	5.1
95.05033	1.6
96.96027	1.1
99.00879	1.5
101.02457	26.3
103.04032	1.8
105.07108	2.8
106.04258	0.9
107.05064	2.0
108.02174	1.4
109.02983	2.7
113.02462	19.0
115.05542	1.9
117.05605	1.9
118.98106	1.0
119.03516	24.1
119.04903	1.4
120.99661	2.4
121.02959	3.4
121.06586	3.9
123.00873	1.4
123.04539	1.6
124.67103	1.0
125.02461	3.2
131.03505	2.7
131.05064	7.6
133.03017	1.6
133.06598	5.9
134.03734	4.3
135.04565	2.7
136.01672	3.0
137.02448	4.2
143.03511	3.7
143.04567	1.2
145.03156	1.1
147.04552	2.1
149.02562	1.9
149.06094	42.2
150.06467	1.4
151.00536	1.1
151.03993	3.8
158.03740	1.2
159.04539	13.1
160.05086	1.1
161.02457	2.2
161.04622	2.0
162.03270	16.0
163.03957	2.8
164.01190	2.6
165.01987	1.7
169.01463	1.2
175.04048	4.8
177.02177	7.5
177.05597	100.0
178.06085	3.9
179.03539	2.2
179.05583	6.5
191.03549	2.6
192.00603	2.5
193.01427	3.4
193.05075	6.5
203.03531	3.2
205.01616	1.1
206.02217	3.7
221.00970	5.3
221.04575	57.8
222.04910	2.4
247.02498	2.4
265.03561	91.2
265.09735	11.5
265.12573	1.9
266.03894	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	265.2174
Annotation	(7S)-Hydroprene
Peak:m/z	Relative Intensity
51.99329	0.6
52.12187	0.6
59.01369	1.7
65.00334	1.3
70.96580	0.5
79.95794	0.8
92.99842	1.5
95.01418	4.3
96.96017	34.2
97.83691	0.6
120.99316	1.8
135.04573	1.1
148.98804	2.2
149.02473	0.9
158.66313	0.6
163.04031	1.9
176.98326	1.8
177.01942	1.5
178.06297	1.1
192.97852	0.9
193.01389	1.0
221.00883	1.2
246.98834	0.8
264.96414	2.6
264.99881	0.9
265.14816	28.3
265.21729	100.0
266.15176	1.2
266.22089	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	267.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	1.6
70.29254	1.0
71.01392	1.1
72.99289	0.2
73.02967	0.5
80.96530	0.4
85.02963	1.0
89.02451	0.3
93.03458	0.8
95.01399	0.3
96.96008	0.3
99.00916	0.3
101.02441	0.6
105.05581	0.3
107.01312	0.3
107.05025	0.3
108.02180	1.0
109.02969	1.6
111.00884	1.7
113.02456	0.4
115.46633	0.2
121.02979	0.7
123.00952	0.3
123.04534	0.5
123.08173	0.2
124.01697	3.1
125.02503	1.9
133.06587	0.5
134.08009	0.2
135.04536	0.7
135.08194	0.3
136.01649	0.4
137.02472	4.2
138.03246	67.4
139.00354	0.3
139.03561	1.8
149.02463	2.6
149.06125	0.6
150.03259	5.3
151.00349	0.3
151.04051	1.4
151.07671	5.3
152.01149	1.5
153.01965	1.2
154.02739	0.3
159.04474	0.3
161.04688	0.4
161.06093	1.3
163.04012	0.8
164.04820	6.6
165.05292	0.3
167.03496	0.5
168.00716	0.3
169.01396	0.6
177.05617	0.4
179.07156	100.0
180.07507	3.3
203.03503	0.7
205.05086	4.4
223.06148	20.4
224.06464	0.7
249.04103	2.9
267.05127	14.2
268.05444	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0355
Annotation	Kynapcin 13
Peak:m/z	Relative Intensity
59.01378	3.5
71.01388	2.9
72.99311	0.6
73.02940	0.8
75.00875	0.5
75.60254	0.4
79.05535	5.2
83.45161	0.5
85.02971	1.2
93.03473	0.7
93.07113	0.6
94.24335	0.5
98.19860	0.9
101.02458	1.9
103.05590	1.0
105.07094	3.1
106.04253	1.5
107.05041	1.7
108.02203	0.7
109.02988	1.3
113.02458	0.7
115.05547	2.0
118.04290	0.9
119.05032	1.4
121.02990	1.6
121.06606	3.8
124.01664	1.1
130.04257	0.9
131.05037	8.2
133.06604	4.5
134.03746	5.6
135.04500	0.8
136.01666	0.9
137.02452	1.9
138.03198	0.6
147.04546	1.1
149.06097	55.4
149.75902	0.5
150.06367	2.7
158.03786	0.5
159.04535	14.6
161.02449	0.8
161.04576	0.8
162.03236	9.7
163.03979	1.6
164.01201	1.5
165.05563	0.6
175.04037	2.2
176.04883	0.7
177.05588	100.0
178.05922	2.7
192.00591	0.7
193.05060	2.9
203.03584	0.9
206.02222	0.9
221.04573	51.0
222.04947	1.5
223.57869	0.5
247.02522	0.6
265.03552	93.4
266.03906	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	265.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	4.8
58.00613	1.8
59.01385	56.7
71.01391	27.2
71.56570	1.3
72.99307	3.5
73.02963	1.5
74.99080	2.4
75.00897	5.0
79.05547	1.8
79.95749	1.0
80.96539	2.8
83.01423	2.3
85.02959	27.2
86.73206	0.9
87.00878	4.0
87.24714	1.1
89.02451	29.1
93.03428	1.3
95.01399	4.4
97.02991	1.4
101.02459	18.5
103.04023	54.8
105.07105	2.0
109.02974	1.6
111.00862	1.3
113.02467	12.3
115.02190	1.1
115.05564	1.8
117.05619	1.2
118.04283	1.1
119.03517	12.6
119.05013	2.2
120.99687	7.3
121.02965	2.5
121.06604	5.8
125.02441	4.3
130.04277	1.9
131.05067	9.0
133.03032	2.1
133.06638	4.1
134.03784	4.7
135.04552	2.7
136.01672	1.7
137.02464	3.4
143.03569	1.5
149.02444	2.1
149.06104	36.3
151.04004	2.5
159.04533	15.1
161.02444	1.9
161.04506	1.5
162.03246	22.1
163.03923	3.1
164.01193	2.6
165.01941	2.2
165.06702	3.5
175.03987	9.1
177.02225	5.9
177.05594	100.0
178.06033	2.1
179.03441	1.0
179.05637	1.9
191.03485	1.5
192.00681	3.4
193.01393	1.6
193.04982	4.7
195.69943	1.0
203.03537	2.3
205.01392	1.2
206.02184	1.3
221.00935	3.9
221.04564	42.3
222.04977	2.5
247.02431	1.9
265.03555	83.4
265.09326	92.9
266.03842	3.6
266.09665	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	261.0076
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
63.98547	0.7
69.21910	7.5
71.47762	0.7
72.99320	12.0
75.00872	2.9
79.95740	6.0
80.96500	1.6
81.03449	2.0
93.03470	21.1
96.96022	2.6
98.19943	1.5
98.30200	0.7
107.05037	2.1
119.05037	41.4
120.05363	1.4
123.02092	0.8
134.03757	1.3
135.04536	29.8
135.22894	0.8
135.64503	0.7
136.65723	0.8
137.06117	1.0
160.79405	0.7
163.04031	37.3
181.05086	83.4
182.05431	2.9
199.00717	16.0
215.00209	9.7
261.00763	100.0
262.01120	2.5
282.55081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14706	0.4
59.01384	0.6
59.82109	0.4
63.04650	0.4
79.95751	2.2
96.96021	100.0
105.03497	0.5
108.32887	0.5
129.54807	0.5
133.02965	1.0
151.13245	0.4
161.02435	1.8
188.06316	0.5
189.02040	0.8
211.17723	0.5
231.73219	0.4
233.00990	1.0
243.40779	0.5
261.00558	4.4
261.08029	56.3
262.08417	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	263.0176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41058	9.8
58.53070	9.7
70.59975	22.3
70.60310	11.1
70.67433	9.6
75.25330	9.5
76.32834	9.1
78.95924	32.1
80.91688	100.0
96.96938	14.0
98.95603	21.4
104.79964	9.1
124.01646	9.9
125.33347	10.0
156.91359	16.6
169.05975	9.5
171.02956	15.0
172.93790	10.1
174.81526	10.5
212.23271	9.1
217.69881	9.0
263.02563	11.3
280.86896	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	263.0199
Annotation	Ancistroquinone E
Peak:m/z	Relative Intensity
51.62805	0.4
69.40503	2.9
71.05012	1.0
75.50464	0.4
83.01410	0.5
87.00884	3.1
92.48972	0.3
93.03477	0.6
101.06066	0.8
105.03445	0.5
109.03020	0.4
111.56973	0.3
112.63920	0.4
117.03475	0.7
119.05032	0.9
121.02945	1.9
125.99608	4.3
129.09232	1.0
133.02951	0.6
135.04501	1.8
137.02448	1.6
145.02985	1.7
147.04510	1.2
148.01636	0.6
149.02473	5.0
155.03549	0.4
157.08694	1.0
161.02460	1.3
163.00388	0.4
163.04053	2.8
164.01164	0.8
165.01962	3.5
167.03487	0.7
173.02428	1.8
175.00397	0.6
175.04037	0.4
176.01125	0.5
177.01909	1.0
183.06670	2.9
189.01985	1.4
191.03520	5.2
192.00647	7.4
193.01427	26.0
194.01733	0.9
197.54640	0.4
201.01958	0.8
207.03015	1.5
217.01469	3.1
219.03032	1.0
221.00912	2.0
233.01022	0.4
235.02502	24.4
236.02794	0.9
245.00949	3.1
263.01990	100.0
264.02304	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	259.0225
Annotation	D-Glucose-6-phosphate
Peak:m/z	Relative Intensity
60.06375	0.4
69.90809	1.7
71.01382	0.7
78.95911	94.1
80.96544	0.4
96.96970	100.0
99.00898	0.4
101.02470	0.8
112.04045	0.4
138.97014	0.7
138.98032	6.8
155.48077	0.4
168.99101	2.8
181.33632	0.4
199.00175	3.3
203.11330	0.4
220.23933	0.4
223.00061	0.7
223.06641	0.4
241.01201	2.8
241.03510	0.6
259.02258	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	261.0075
Annotation	Tichocarpol A
Peak:m/z	Relative Intensity
70.01664	1.1
70.02071	1.9
72.99314	14.5
75.00875	2.2
78.91885	1.8
78.95910	14.9
79.95747	7.9
80.96497	1.8
81.03470	2.4
87.00877	0.6
93.03466	25.1
95.05030	0.6
96.96026	6.4
96.96970	12.4
98.97330	0.6
107.05069	2.8
119.05042	48.2
120.05341	1.0
120.99658	0.7
133.02995	0.6
134.03728	1.9
135.04538	29.6
135.20184	0.6
136.04854	1.2
137.06059	1.0
139.07506	0.6
161.02423	0.8
163.04024	36.2
163.06184	2.0
164.04343	1.2
181.05083	85.7
182.05418	2.2
199.00714	18.0
200.01077	0.6
215.00233	8.6
228.95515	0.6
242.99669	0.6
261.00754	100.0
261.03546	8.5
262.01129	3.2
262.03549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99607	0.4
69.81882	1.6
74.99112	0.3
78.95919	1.0
82.02959	0.5
83.01411	0.3
83.16405	0.3
87.00882	0.9
96.96041	0.7
102.51518	0.3
102.98598	0.8
103.51948	0.3
111.30714	0.3
120.99667	100.0
122.00079	0.8
125.03610	0.3
132.01337	0.3
147.01236	1.0
150.09247	0.4
151.05574	0.3
166.98431	0.7
189.51109	0.3
210.07707	0.3
212.09389	0.7
236.98958	0.6
255.00027	21.2
255.23308	14.4
255.79420	0.3
256.00461	0.5
256.08185	1.5
256.23746	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0005
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45394	0.2
58.99617	1.3
59.01389	0.3
61.84023	0.2
63.94944	0.3
64.99213	0.3
65.64071	0.2
71.18926	0.5
72.99331	0.3
73.02924	0.3
74.77160	0.3
74.99088	0.7
82.03004	0.4
87.00884	1.6
89.00694	1.2
96.91748	0.2
96.96030	0.4
98.02487	0.4
101.00669	0.4
102.98625	0.6
120.99665	100.0
121.06573	0.4
121.99992	0.6
123.04647	0.3
131.01727	0.4
131.05077	0.3
136.99123	0.4
137.02415	0.4
138.41797	0.3
147.01222	1.1
149.02832	0.7
150.09233	0.5
159.69547	0.3
166.98419	0.9
167.03813	2.4
212.09273	0.8
225.03975	0.7
225.06461	0.3
237.04068	0.5
255.00012	22.0
255.05344	3.0
255.23322	3.8
256.00366	0.8
256.08292	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	256.083
Annotation	Dioxolamycin
Peak:m/z	Relative Intensity
52.35828	1.3
55.01863	1.2
59.01409	1.3
67.83183	1.2
69.03460	2.6
70.81473	1.1
71.05019	4.2
71.18871	1.8
72.04559	6.7
72.99281	1.5
75.00887	1.4
81.03463	1.9
82.02992	33.2
83.01381	3.6
83.05044	2.4
84.00891	2.1
84.04556	3.0
93.03465	6.7
98.02483	23.9
98.06129	10.3
100.04063	17.9
107.08661	1.6
110.02485	3.5
110.06088	2.3
111.04524	3.5
112.04056	1.6
113.72896	1.1
116.73390	1.1
120.99650	4.6
121.06583	4.5
121.99985	2.3
123.00863	1.3
125.02510	1.8
126.05625	11.3
126.09262	11.7
128.03511	1.7
128.07190	13.2
133.52328	1.2
138.05656	2.0
139.07623	1.9
140.07213	1.4
140.10811	4.3
148.07719	8.8
150.09253	28.7
151.07585	1.6
154.08781	3.4
166.08769	3.8
167.07092	1.4
168.10349	6.3
184.09781	8.8
194.08224	3.6
210.07739	25.8
212.09317	30.7
228.08759	10.4
238.07193	1.4
255.23251	10.1
256.08289	100.0
256.23645	25.8
257.08621	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	247.1706
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
59.31839	0.2
71.46490	0.3
77.56820	0.2
91.01929	0.2
101.40122	0.2
119.01434	0.5
119.05047	0.3
121.02908	0.2
121.28295	0.2
145.02979	0.3
147.00902	0.9
147.04532	0.9
149.92596	0.2
163.03995	0.5
165.01897	0.3
175.00427	0.4
175.04037	0.5
180.05873	0.2
184.00211	0.3
186.95657	0.3
191.03523	1.7
202.76619	0.2
202.99875	1.7
203.03534	0.5
205.16010	0.3
219.02928	0.3
220.17058	0.6
231.13959	0.4
246.98907	2.0
247.02510	6.6
247.17049	100.0
248.02786	0.4
248.17392	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	249.1863
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
59.01381	5.1
60.15401	1.0
65.00352	6.4
68.99562	1.4
71.01379	2.6
73.02973	2.0
77.00339	1.9
85.02960	2.3
87.92542	1.2
89.00352	5.5
92.99818	3.2
95.01419	6.7
112.98581	3.4
113.52573	1.0
121.02952	1.5
121.53143	1.1
129.01961	1.4
135.00877	1.4
136.98869	1.5
148.98822	2.2
154.97421	2.3
160.98796	3.9
161.02463	2.1
176.98294	6.9
177.01894	3.2
180.73206	1.2
184.50345	1.1
189.12880	1.5
204.04308	2.4
204.97906	5.9
205.01474	2.6
205.15985	33.4
206.16351	1.9
219.06560	1.4
221.00981	1.5
231.17432	1.7
248.96939	9.9
249.00484	2.5
249.03609	2.6
249.07872	2.1
249.14967	59.2
249.18600	100.0
250.14516	44.0
250.18513	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	250.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01366	1.8
59.11603	0.6
59.86442	0.6
71.01383	6.9
71.55947	0.8
71.56382	0.9
88.04047	80.0
91.05530	1.9
105.68777	0.6
114.01979	5.0
115.00387	14.6
115.41297	0.6
132.03038	100.0
133.03401	0.8
134.06123	1.0
135.04526	4.9
163.04059	0.9
206.08273	2.7
207.02943	1.1
232.06087	1.0
250.00673	0.7
250.03215	0.7
250.07208	18.3
250.14444	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	253.0394
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98340	1.1
55.01864	1.4
57.03456	1.5
58.99599	3.7
59.01388	22.5
60.97534	2.7
61.98837	11.8
67.01931	1.3
69.03455	10.8
69.20920	10.9
71.01375	7.7
72.99313	9.4
73.01165	7.6
73.02939	1.4
73.61898	1.1
73.98318	2.3
74.99107	53.6
75.00876	3.2
78.95911	16.4
79.95738	2.5
80.96526	10.6
83.01402	3.6
83.05048	3.3
85.01173	6.8
85.02937	2.0
87.00873	11.7
89.00681	1.8
89.02445	2.7
90.98597	4.5
93.03468	4.9
96.96025	3.8
96.96963	3.5
101.02440	3.1
102.98595	1.8
103.02242	10.6
105.00181	9.3
109.02978	2.0
111.00889	1.4
111.04540	1.3
113.02477	8.6
114.98588	3.5
119.01727	2.6
119.05019	1.3
120.99670	63.8
121.03064	11.5
121.06593	4.6
125.02437	1.4
127.04029	1.6
129.00168	3.9
131.03502	5.0
133.01468	2.9
136.99155	6.9
137.02437	2.1
137.06055	2.2
147.01231	45.3
147.04465	1.3
148.01573	1.1
151.00703	4.2
153.01976	1.4
154.99895	3.3
161.04498	1.6
163.00583	1.1
163.03993	1.3
165.02278	100.0
165.05414	6.6
166.02582	2.1
179.00244	2.3
181.05226	1.2
190.99814	1.6
191.03714	3.6
193.01746	5.5
209.00899	1.7
209.04662	4.8
235.02664	2.5
253.00398	7.1
253.03871	99.2
253.09227	3.0
254.04086	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	247.025
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37831	0.1
56.94706	0.1
60.08680	0.1
63.70485	0.2
68.98039	0.1
69.39710	0.1
69.39951	0.3
69.40350	0.7
79.01898	0.3
91.01926	0.2
91.05560	0.3
93.03488	0.3
95.01431	0.2
101.03976	0.3
103.05566	0.2
105.03461	0.6
107.05059	0.2
117.03477	0.5
119.05047	2.0
121.02985	0.4
129.03450	0.8
131.05031	0.4
133.02945	0.5
135.04538	1.2
145.02953	2.8
146.03705	0.2
147.04530	3.9
149.02383	0.2
158.03726	0.2
159.04544	0.6
161.02467	0.5
163.04027	2.6
173.02448	5.7
174.03215	0.8
175.04001	4.0
176.01151	0.5
176.04399	0.2
177.01894	0.5
177.05579	0.5
189.01982	0.3
190.02730	3.5
191.03513	13.4
192.00648	0.4
192.03932	0.3
201.01924	1.0
203.03511	4.2
204.00529	0.2
213.09286	0.2
217.01285	0.2
218.02441	0.3
219.02989	5.8
220.03308	0.3
221.04579	0.2
229.01465	0.3
246.01685	0.5
247.02480	100.0
248.02831	4.6
248.05460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07969	0.3
59.01390	0.6
61.85075	0.2
65.00334	0.4
69.74343	1.1
70.26129	0.2
71.01397	0.5
89.03984	0.4
91.01942	0.3
91.05554	2.0
93.03468	0.5
101.02438	0.4
101.03983	0.4
103.05565	1.5
105.03468	8.7
106.42691	0.2
107.05042	0.5
115.05550	0.7
117.03486	0.4
119.01359	0.3
119.05035	7.3
121.02988	2.2
121.06623	0.5
122.93445	0.3
129.03447	0.6
130.04251	1.3
131.05054	3.1
132.02176	1.3
133.02982	1.4
135.04520	1.4
145.02965	3.3
146.03717	0.8
147.04536	17.2
148.04784	0.4
149.02441	1.1
157.02887	0.3
158.03737	2.4
159.04521	4.9
160.01688	1.1
161.02483	1.3
163.04037	2.6
164.98100	0.2
173.02457	3.4
174.03279	1.8
175.04013	55.6
176.01109	0.5
176.04370	2.4
177.01907	0.6
177.05571	1.7
189.01831	0.5
190.02719	3.2
191.03517	13.2
201.01924	1.0
202.02765	0.4
203.03511	32.1
204.03896	1.2
217.01526	0.4
218.02097	0.5
219.02988	5.4
220.03255	0.3
221.04584	2.8
229.01486	0.4
246.01683	0.5
247.02478	100.0
248.02837	4.3
259.46521	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
70.99060	0.3
73.01077	0.1
91.05566	0.1
93.03460	0.2
100.22894	0.1
103.05562	0.1
104.29738	0.1
105.03466	0.3
107.05048	0.3
108.68814	0.1
117.03444	0.3
119.05039	1.7
121.02948	0.2
129.03465	0.1
131.05045	0.3
133.02969	0.4
135.04538	1.1
145.02975	2.4
147.04539	2.9
149.02473	0.2
158.03596	0.1
159.04482	0.3
161.02492	0.4
163.04028	2.3
173.02472	3.1
174.03249	0.6
175.04037	2.5
176.01184	0.3
177.01987	0.5
178.02110	0.1
189.01927	0.4
190.02733	2.9
191.03526	12.0
192.00574	0.2
192.03874	0.4
201.01999	0.7
203.03516	1.3
204.00668	0.2
205.01408	0.4
217.01553	0.2
218.02225	0.5
219.00880	0.2
219.03017	4.7
229.01372	0.5
246.01759	0.5
247.02490	100.0
248.02840	4.8
267.44754	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.5
58.94065	0.4
63.48885	0.3
65.00339	0.5
69.90691	1.1
69.91084	0.6
82.08312	0.3
82.91002	0.4
83.15841	0.3
88.95403	0.3
91.05529	3.4
93.03489	1.1
95.01427	0.6
96.96034	0.6
101.03986	0.6
102.04784	0.9
103.05544	3.0
105.03474	17.8
107.05082	0.5
115.05569	0.7
117.03490	1.0
119.01409	1.2
119.05042	10.6
121.02975	2.9
121.06585	0.8
123.00896	0.5
129.03485	1.2
130.04253	2.7
131.05048	5.8
132.02200	2.0
133.02971	2.0
135.04489	1.2
145.02962	2.4
146.03760	0.9
147.04543	26.8
148.04893	0.7
149.02460	1.4
149.06088	0.5
157.03018	0.5
158.03728	4.4
159.04529	7.7
160.01671	1.3
161.02414	1.2
163.04034	1.8
173.02512	2.2
174.03291	2.4
175.04018	100.0
176.01086	0.5
176.04364	3.5
177.01994	0.4
177.05602	3.5
185.02382	0.5
190.02737	2.5
191.03529	9.3
202.02805	0.6
203.03525	58.0
204.03801	2.0
217.01183	0.4
218.02277	0.5
219.03047	3.7
221.04562	4.7
246.01820	0.6
247.02499	65.8
248.02849	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	247.025
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01431	0.3
59.31570	0.3
65.03942	0.4
67.01924	0.3
68.78603	0.2
69.70021	0.9
69.70434	0.7
91.05544	0.3
93.03484	0.3
101.03994	0.4
103.05567	0.3
105.03493	0.4
107.05036	0.5
117.03447	0.7
119.01420	0.3
119.05035	2.9
121.02950	0.5
129.03461	0.5
130.04236	0.5
131.05020	1.1
133.02930	0.5
135.04541	1.3
145.02960	2.8
147.00919	0.4
147.04536	5.9
148.04976	0.3
157.02905	0.4
158.03712	0.5
159.04568	1.6
160.01662	0.3
161.02405	0.8
161.95447	0.3
163.04030	2.7
164.40773	0.2
173.02444	3.9
174.03244	1.9
175.04013	10.0
176.01184	0.5
176.04395	0.6
177.01881	0.8
185.02493	1.0
190.02756	3.4
191.03522	13.7
192.03810	0.3
201.01997	2.3
202.99829	0.3
203.03511	7.2
204.03706	0.3
205.01524	0.4
205.80309	0.3
218.02242	0.5
219.03003	5.6
229.01439	0.6
246.01775	0.8
247.02489	100.0
248.02838	4.7
253.94644	0.3
267.90466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.0
71.01395	3.0
72.99318	4.9
73.02956	4.0
73.04058	2.5
78.95914	100.0
80.96566	2.4
83.05033	5.1
85.02942	2.6
87.00884	3.3
94.98086	2.2
95.05033	4.8
96.96970	45.0
97.02966	4.1
97.04085	2.4
98.02457	2.3
99.00900	5.2
99.04523	3.0
101.02467	5.0
109.02917	2.6
112.53864	2.1
113.06070	2.6
115.05167	10.3
116.07176	3.7
117.07513	3.6
119.03529	5.1
123.04514	2.4
125.02482	5.7
126.98602	2.3
139.04028	5.6
152.99600	40.4
155.09143	2.1
157.08771	2.7
158.92578	2.2
171.00626	15.3
173.02458	2.3
183.06656	3.0
189.02002	3.7
191.10381	2.2
197.06195	2.1
201.05428	1.8
201.07726	2.9
217.01442	4.9
227.05638	7.5
245.01135	13.1
245.04355	44.8
245.06728	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	246.0984
Annotation	Valinopine
Peak:m/z	Relative Intensity
57.03458	1.2
66.38161	0.6
69.03467	1.2
70.74218	1.4
71.01418	0.6
72.04563	1.8
72.27515	0.6
85.02960	24.2
95.35950	0.5
100.04066	0.9
100.73209	0.7
101.02454	17.4
113.02468	1.0
116.07190	100.0
117.07544	1.5
119.05055	1.2
128.03566	0.9
128.10844	17.1
129.01956	93.0
130.02266	1.0
135.04564	0.8
140.10893	1.1
141.09293	1.2
145.02966	1.7
147.04547	2.4
154.08771	2.6
156.10301	6.4
159.04443	0.9
163.04027	1.4
166.08691	0.7
173.02458	2.5
174.99193	0.6
175.04008	3.3
184.09773	1.6
190.02687	1.7
191.03532	7.0
197.82590	0.6
201.01880	0.8
203.03537	2.5
213.05983	0.7
217.21967	0.7
218.02054	1.1
219.02954	3.1
220.85992	0.7
228.08803	12.1
236.65285	0.7
246.01485	3.1
246.03806	0.6
246.09839	21.9
246.13493	0.9
247.02487	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	241.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01418	0.7
64.40571	0.6
67.01932	1.1
68.99843	1.6
69.10958	0.7
71.01409	0.8
71.46484	0.7
73.02958	1.0
83.01414	4.4
95.01396	6.5
98.20692	1.0
99.00925	1.4
108.02243	0.8
109.02997	0.7
110.96036	0.7
111.00883	6.4
112.98846	2.0
123.00896	79.6
124.01266	2.2
125.02483	2.7
125.99669	0.7
127.00385	7.8
127.04060	0.7
136.98816	7.5
137.02548	0.7
137.07091	0.7
137.99631	1.1
138.03239	45.5
139.00391	9.8
139.03589	0.9
141.01979	1.8
153.00172	1.5
153.01976	4.2
153.05586	40.1
154.02734	3.5
154.06024	0.8
154.99884	0.8
166.99870	60.4
168.00240	2.1
169.01479	1.7
179.10814	0.9
181.01440	3.0
182.02222	77.9
183.02597	1.8
192.96147	0.7
197.04559	100.0
197.11824	2.7
198.04933	3.4
241.03523	31.8
241.10808	2.8
241.21669	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73123	3.8
55.01887	4.1
57.03452	4.8
59.01389	9.4
60.99214	3.9
67.01924	5.6
69.62606	15.8
69.63016	9.2
71.01374	17.6
72.04534	6.2
72.99302	8.7
73.98699	4.4
78.95911	47.4
82.03000	57.0
83.01380	9.9
85.02975	6.0
96.00923	100.0
96.96975	21.5
98.02462	19.9
98.20705	9.1
99.00896	26.5
100.04055	26.7
107.01390	6.1
108.02172	17.1
109.02995	7.5
109.06587	7.0
111.00887	18.1
112.98832	78.1
114.01923	4.7
115.00431	5.4
121.52293	4.6
125.02489	29.8
126.01966	25.1
129.01927	14.6
135.88063	4.2
139.00330	6.1
142.99895	51.4
143.24155	4.4
144.03091	5.7
145.01395	8.6
151.00424	5.7
153.02032	22.2
154.05141	4.5
169.01425	31.0
173.00909	63.1
178.99861	12.1
179.04648	25.8
195.04089	12.4
197.00909	12.5
205.03514	23.5
208.98552	11.6
211.02417	4.9
222.98772	13.2
228.46095	5.4
241.01118	13.4
241.04547	19.2
241.08150	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	238.9816
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79297	0.7
55.01880	1.0
56.98026	0.9
57.03444	2.7
58.99600	1.3
59.01383	6.4
68.45008	0.7
69.03455	1.4
70.99602	5.3
71.01389	8.2
71.25318	1.4
72.99313	10.4
73.02950	1.4
74.99108	8.6
76.93017	0.6
78.95912	100.0
79.95753	1.2
80.96529	7.4
81.03458	1.3
83.05052	1.6
85.02959	18.5
86.99103	1.5
87.00880	12.8
88.01208	1.3
89.00803	0.7
89.01311	3.8
89.02462	5.6
94.98872	0.6
96.96967	1.7
97.02962	1.6
99.00896	1.7
101.02453	2.5
111.04546	2.5
113.02467	2.5
114.98605	20.0
115.04031	1.8
117.01943	1.5
118.98100	1.0
120.99644	0.9
123.04525	1.7
129.01976	2.2
131.03513	8.2
132.99667	1.6
134.97057	2.3
136.94020	1.1
136.94971	14.4
136.99167	6.2
151.00723	8.5
151.04028	1.2
159.03035	0.9
161.04591	3.7
167.00146	0.9
178.96034	91.2
179.96127	4.0
195.03004	1.1
196.97072	4.9
220.86710	1.7
220.96997	3.1
221.06689	29.7
229.88405	1.8
238.99968	1.3
239.02283	5.3
239.07761	28.4
243.09354	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate
Peak:m/z	Relative Intensity
52.57763	0.5
58.99606	0.6
59.01376	2.9
64.03745	0.5
67.61532	0.5
70.28915	1.6
70.29258	0.5
72.99315	8.5
73.02985	0.7
80.26067	0.4
80.45796	0.5
85.48071	0.5
87.00906	0.6
91.01910	0.9
96.96002	3.4
107.05045	0.9
109.06580	0.7
121.06609	76.8
122.06951	1.8
125.02500	0.7
131.05037	1.0
133.06609	100.0
134.06941	2.7
135.04507	0.5
143.82224	0.6
149.06094	38.7
150.06499	1.2
151.02306	3.0
151.07657	5.8
151.11227	0.6
159.04585	1.0
169.01431	0.7
177.05579	26.2
177.09070	0.8
178.05858	0.9
179.05540	2.7
191.11003	0.5
194.99333	1.1
195.01222	1.6
195.06642	35.9
196.06880	0.7
203.03476	1.2
215.82281	0.5
221.04564	5.1
221.06425	0.9
223.23039	0.5
239.05630	44.5
239.09367	1.5
240.05908	1.6
240.08228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.06
Annotation	Unknow
Peak:m/z	Relative Intensity
58.70809	0.2
59.01392	0.9
59.96727	0.5
63.15475	0.2
70.34940	0.2
70.55581	0.5
70.55933	0.2
74.99082	12.6
75.96229	0.2
75.99011	0.2
80.33030	0.2
91.02220	10.0
92.02169	0.2
93.00146	3.2
95.88958	0.2
123.00952	0.2
145.41664	0.2
149.00967	5.2
150.98940	0.3
151.00418	0.2
166.99925	0.2
179.05620	0.4
206.99712	2.9
207.99763	0.3
220.94627	0.2
223.02852	100.0
224.02896	6.8
231.05238	0.2
239.06009	0.7
241.03903	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73123	3.8
55.01887	4.1
57.03452	4.8
59.01389	9.4
60.99214	3.9
67.01924	5.6
69.62606	15.8
69.63016	9.2
71.01374	17.6
72.04534	6.2
72.99302	8.7
73.98699	4.4
78.95911	47.4
82.03000	57.0
83.01380	9.9
85.02975	6.0
96.00923	100.0
96.96975	21.5
98.02462	19.9
98.20705	9.1
99.00896	26.5
100.04055	26.7
107.01390	6.1
108.02172	17.1
109.02995	7.5
109.06587	7.0
111.00887	18.1
112.98832	78.1
114.01923	4.7
115.00431	5.4
121.52293	4.6
125.02489	29.8
126.01966	25.1
129.01927	14.6
135.88063	4.2
139.00330	6.1
142.99895	51.4
143.24155	4.4
144.03091	5.7
145.01395	8.6
151.00424	5.7
153.02032	22.2
154.05141	4.5
169.01425	31.0
173.00909	63.1
178.99861	12.1
179.04648	25.8
195.04089	12.4
197.00909	12.5
205.03514	23.5
208.98552	11.6
211.02417	4.9
222.98772	13.2
228.46095	5.4
241.01118	13.4
241.04547	19.2
241.08150	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	237.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	100.0
55.66300	1.1
59.01401	5.6
65.00331	1.9
69.03496	1.3
71.01389	4.8
71.57198	1.5
73.02955	4.8
78.95903	5.7
79.05555	1.6
83.01400	1.2
85.02965	3.0
87.04522	62.7
88.04869	1.2
92.99841	6.9
93.03443	3.0
95.01403	3.7
96.99345	1.6
101.02451	4.8
113.02472	2.0
113.06059	1.3
120.99389	1.4
121.02969	3.4
121.21248	1.0
131.08672	1.2
139.29861	1.2
143.08667	2.6
144.05827	1.7
145.02968	1.7
146.07405	3.1
147.00925	1.3
149.02444	2.7
159.08189	13.0
161.04590	2.0
161.09741	48.9
162.10069	1.5
164.98318	8.8
165.01956	2.7
175.04066	1.1
192.97728	1.9
193.01378	2.3
193.05042	1.1
193.12354	2.5
193.16022	2.4
218.99417	2.0
236.46454	1.0
237.00453	1.4
237.03990	4.7
237.07681	1.7
237.11409	11.7
237.14941	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	237.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63686	0.5
55.01883	100.0
56.02213	1.1
59.01381	4.1
65.00332	0.9
67.48274	0.5
67.72828	0.4
69.44860	0.8
69.45259	3.3
71.01382	1.8
73.02946	1.4
77.00330	0.6
78.95901	2.6
81.03455	1.2
83.01405	0.5
85.02959	3.7
87.04521	64.5
88.04877	0.7
91.85027	0.4
92.99805	3.5
93.03449	0.9
94.67609	0.5
95.01407	1.3
95.05007	0.5
96.96035	1.1
96.99318	0.6
101.02498	2.1
107.05083	0.5
108.33443	0.5
109.02940	0.8
113.02456	1.0
116.92831	0.6
119.05075	0.5
120.99313	0.6
121.02958	1.4
122.03741	13.8
123.08197	0.6
125.09734	1.3
135.04532	0.5
137.09744	0.8
145.02971	0.7
149.02472	0.7
149.09721	1.3
150.06897	0.8
151.07617	0.7
159.08145	1.4
161.04565	0.6
161.09731	8.0
163.07632	0.9
164.08397	1.3
164.98291	2.7
165.09164	1.1
165.12874	1.4
178.10011	7.1
179.10785	75.0
180.07961	4.3
180.11110	2.6
183.10168	0.6
192.97690	0.7
193.01389	1.1
193.05040	0.8
193.08669	4.2
193.12277	1.4
219.13919	2.0
236.96953	0.6
237.00310	0.5
237.04022	1.8
237.07603	0.9
237.11302	40.4
237.14928	53.8
238.11562	1.4
238.15225	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	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
55.40784	0.3
57.03462	2.3
59.01376	0.9
71.01396	0.4
71.56357	0.5
72.99318	0.5
75.00863	0.5
78.95917	5.7
82.34318	0.3
85.02966	1.5
87.00885	100.0
88.01226	1.0
101.02449	0.3
111.23257	0.3
129.01958	15.2
130.02231	0.4
218.86853	6.1
218.88832	0.5
219.05116	0.6
236.87857	2.5
237.06169	4.7
237.88116	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76883	0.6
53.17461	0.6
58.99608	0.8
59.01390	2.7
69.92207	2.2
71.01391	31.2
72.99317	2.5
73.02945	0.7
74.99113	1.3
75.00881	4.0
80.81657	0.6
80.96522	1.5
81.03426	0.6
85.02979	1.8
87.00889	19.7
89.02479	1.4
98.20541	1.0
99.00891	2.6
105.00179	10.7
105.00852	1.2
113.02463	1.2
115.00390	72.6
116.00702	1.1
118.50617	0.7
120.99672	100.0
121.99950	0.6
125.02464	3.7
129.01964	3.9
137.02455	1.5
148.99178	6.6
149.02702	2.3
155.80800	0.6
158.63484	0.7
165.01993	1.0
191.03510	1.0
193.01456	2.0
193.05115	1.3
205.03596	2.3
237.00746	13.7
237.04012	3.3
237.06076	3.1
242.33960	0.7
248.16437	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03165	0.2
59.01372	0.3
70.97626	0.5
72.60461	0.2
78.95911	0.4
84.24390	0.3
92.99829	0.4
115.83634	0.2
125.02521	0.2
129.49121	0.2
134.03746	0.5
135.04539	0.5
136.05313	0.7
148.05321	10.1
149.06201	0.5
149.09718	1.1
153.76147	0.2
162.06844	0.5
164.98375	0.3
175.03944	0.3
175.07674	0.5
176.08458	0.9
177.09227	45.6
178.09566	1.8
190.10022	1.5
191.10789	1.2
192.11580	33.6
193.11938	1.6
201.09224	0.6
203.07187	0.7
217.08731	3.0
218.09486	8.1
221.08211	0.3
236.10556	100.0
237.10928	4.7
237.14908	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.6
59.01382	3.1
70.29170	2.6
70.29522	0.8
71.01392	31.3
71.06503	0.6
72.01733	0.8
72.99304	2.2
74.99104	2.4
75.00880	2.5
75.32299	0.7
76.65070	0.6
77.65288	0.7
79.95767	0.8
80.96516	1.2
85.02962	3.3
87.00887	54.1
87.02753	3.0
88.89834	0.6
90.93544	0.8
90.98598	4.2
99.00879	3.8
101.02456	1.0
102.98636	0.7
105.00170	10.5
105.03821	5.0
109.02964	0.9
115.00386	69.9
116.00726	1.3
120.99670	100.0
121.02966	1.9
125.02466	2.8
129.01964	9.9
137.02473	2.9
148.99167	6.2
149.02785	8.0
149.06114	0.7
174.86662	0.7
178.02655	0.8
179.00203	1.6
191.03493	2.9
193.01534	4.1
193.05132	2.2
237.00719	14.0
237.04132	9.0
237.06236	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	236.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69533	0.5
59.01368	0.8
63.07490	0.5
63.07823	0.5
69.40621	3.6
69.47062	0.6
71.01394	0.6
72.00915	12.5
80.96540	2.4
91.05524	1.8
91.56477	0.5
93.03466	0.9
96.95978	0.6
98.20732	0.7
99.17565	0.6
103.05548	0.7
119.05009	1.9
120.05370	2.2
121.02980	1.3
135.04565	1.2
137.02475	1.0
145.03015	0.6
146.03249	0.7
147.04536	46.3
148.04843	1.8
149.02469	0.9
160.04057	3.7
163.03998	1.4
164.04337	2.3
164.07181	100.0
165.07576	3.0
169.01370	1.1
181.11919	0.6
192.06721	2.1
193.01321	1.2
193.04979	0.9
227.48630	0.7
236.02814	0.9
236.05757	1.1
237.04201	3.9
237.07901	0.7
242.55510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1341
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.43534	0.8
56.00051	0.9
59.01383	100.0
59.13937	0.8
61.98814	1.3
68.78118	0.8
69.44405	5.6
69.44837	1.5
69.69336	0.9
71.01379	3.9
72.98943	0.9
73.02977	1.1
83.01418	1.1
85.02955	1.8
91.01929	1.8
93.03480	1.1
95.05046	1.4
101.02480	2.5
106.04256	1.0
113.02454	1.1
119.01394	2.5
119.04994	1.1
121.02988	8.1
124.54931	1.2
147.08179	2.3
148.30125	0.9
149.09737	1.5
163.00336	4.8
163.04030	2.3
163.11290	30.7
164.11679	1.0
175.11255	0.9
189.12834	1.4
190.99870	2.1
191.03543	2.0
191.07230	1.8
191.14429	16.5
210.94463	1.0
217.12328	3.4
234.98885	3.6
235.02507	2.6
235.06035	5.2
235.09735	1.4
235.13414	37.8
236.13705	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	235.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56472	1.2
55.01888	10.0
57.03452	6.1
58.00597	4.0
59.01389	83.1
70.29455	4.7
71.01392	90.2
71.05030	3.2
72.78745	1.2
72.99331	7.7
73.02956	36.5
73.06573	3.1
75.00877	2.7
76.94470	1.4
80.96530	2.4
83.01396	28.6
84.02155	1.4
85.02960	55.2
86.00114	2.7
87.00890	4.9
89.02442	5.9
90.47392	1.5
93.03468	1.5
95.01385	5.8
97.02973	2.5
99.00891	17.1
101.02457	100.0
111.00887	3.1
113.01721	2.4
113.02467	36.9
119.05054	3.2
121.02949	2.3
123.04539	1.4
125.02469	2.2
129.01947	2.1
135.04532	4.5
137.02417	2.3
143.03513	1.6
143.07121	3.0
145.02951	1.9
147.04523	4.9
159.02965	5.2
161.02475	6.5
161.04556	18.3
161.06067	4.8
163.04002	3.5
171.15636	1.5
171.17239	1.3
174.58704	1.2
182.24837	1.3
182.98222	1.3
190.99905	1.5
191.03528	12.3
191.07166	2.0
191.10783	1.3
192.00560	1.6
205.05109	4.8
207.03049	2.4
235.02621	6.4
235.06194	8.7
235.09732	2.5
235.11823	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	234.1501
Annotation	Huperzine W
Peak:m/z	Relative Intensity
50.39358	0.4
59.01388	2.4
60.31427	0.5
70.09136	0.4
74.00354	1.0
91.31923	0.4
145.89920	0.5
163.00316	1.7
163.04045	0.6
179.07086	0.6
207.13899	0.6
214.41022	0.4
218.11729	2.4
234.14980	100.0
234.98631	0.9
235.15321	3.9
251.11592	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	233.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01377	1.7
59.24228	0.3
59.96729	0.5
60.97511	0.5
68.55740	0.3
69.37084	0.6
69.37508	1.5
74.65831	0.2
74.99078	8.2
83.63934	0.2
91.02215	1.4
92.24900	0.3
93.00156	1.8
93.03486	0.4
96.96013	0.4
118.96263	1.5
124.02794	0.3
134.99417	7.6
136.97359	1.8
141.07458	0.6
141.18867	0.3
142.54512	0.2
143.05347	1.0
149.00972	71.1
150.00945	2.1
150.56384	0.3
150.98915	0.7
159.08510	2.0
160.98862	0.5
161.06432	4.1
173.04539	0.3
187.65527	0.3
201.04042	0.6
215.05701	1.4
217.07225	100.0
218.07343	6.0
233.10358	97.6
234.10493	6.0
234.15576	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0986
Annotation	2',3'-Dideoxyadenosine
Peak:m/z	Relative Intensity
59.01385	2.1
62.87261	0.5
63.68306	0.5
67.29871	0.6
71.01382	2.7
71.05022	13.3
71.12935	1.1
72.00905	1.3
72.51212	0.5
72.99316	1.3
73.02950	1.6
74.00703	1.1
74.99105	2.2
75.00871	1.2
79.95739	0.8
80.96481	1.0
83.01389	0.8
83.05032	1.2
85.01168	1.2
85.02964	1.5
86.02483	6.7
86.99126	0.9
87.00878	4.2
87.96825	0.5
99.04510	4.4
101.02441	1.6
102.01975	0.5
103.02198	0.6
104.03545	100.0
105.03895	1.4
106.17657	0.5
107.02738	0.5
112.07679	0.6
113.02496	0.8
116.07185	1.0
119.05033	0.6
120.99641	4.9
127.03990	0.9
129.05560	1.2
132.03036	2.9
135.04585	0.6
145.08743	0.8
145.28218	0.6
146.08229	11.5
147.01222	7.9
147.04720	0.9
147.06638	0.8
150.45532	0.7
155.03413	0.6
158.08199	1.4
161.04550	0.5
163.04019	1.7
175.00697	0.8
186.07712	0.7
188.09302	6.0
191.03564	3.6
217.10762	0.8
234.09827	86.0
234.15732	2.9
234.47481	0.6
235.02699	3.7
235.10049	1.6
235.12079	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	233.0855
Annotation	CHEBI:83082
Peak:m/z	Relative Intensity
59.01387	1.0
69.31892	1.3
69.32297	0.4
72.14757	0.1
79.95279	0.3
79.95774	1.0
81.43468	0.2
93.03484	0.3
96.96019	28.7
153.12862	0.2
160.98773	0.3
173.04553	0.2
179.00893	0.2
233.08539	100.0
233.15108	2.1
234.08856	3.8
251.21138	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81527	2.4
55.01884	2.5
56.39043	2.9
56.97512	2.3
57.03446	7.3
59.01389	32.3
67.01892	5.5
71.01392	28.6
72.99313	5.3
73.02975	4.8
78.28834	2.4
78.95914	54.0
79.95728	3.5
80.96528	5.0
81.03446	4.6
83.01394	5.2
83.05031	7.3
84.04590	3.9
85.02956	8.6
93.03467	3.4
96.96048	16.1
96.96972	100.0
98.20641	7.5
99.00888	18.8
101.02435	5.6
101.06168	2.5
102.40490	2.4
109.02958	6.4
111.00882	17.7
115.92088	4.8
117.02045	3.0
127.04040	8.8
128.03558	3.1
129.01944	9.1
131.07872	3.0
143.03557	3.9
145.01427	6.6
145.03207	6.3
161.02408	5.1
171.03015	6.7
177.01971	3.8
189.01917	5.3
214.96625	2.7
215.01961	13.5
229.05910	3.1
233.00909	12.7
233.03033	6.9
233.06750	7.1
233.15491	20.8
243.18260	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	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17255	1.9
53.79844	2.0
54.09074	2.0
55.01869	3.3
55.72493	1.9
57.03453	6.3
59.01387	31.8
71.01390	18.0
71.55968	2.5
72.99314	6.3
73.02953	6.7
74.02478	3.2
74.37531	2.0
78.95914	58.9
80.96539	3.0
81.03468	2.3
83.01409	4.7
83.05039	4.2
85.02970	6.0
87.00883	4.4
87.82695	1.9
93.03448	2.3
96.96049	13.8
96.96972	100.0
96.97604	4.9
97.02952	2.4
99.00902	9.2
101.02473	5.3
106.90077	2.2
106.98086	2.4
109.02962	5.1
111.00893	8.7
111.04549	3.2
113.02475	5.1
115.92101	5.4
116.92802	2.2
119.01878	2.1
119.04900	2.7
125.02466	2.5
127.04011	4.4
129.01962	8.5
133.02972	2.6
142.07631	2.0
143.03534	4.7
145.01437	7.2
145.03201	2.6
153.01953	4.5
161.02478	6.6
171.03017	2.9
173.04552	2.8
173.63904	2.2
177.01936	3.3
189.01941	3.9
189.07426	2.1
205.01402	3.4
233.00987	8.3
233.03017	3.0
233.06662	10.0
233.10359	6.0
233.15480	24.5
234.09709	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	231.9924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.62611	0.2
59.01389	0.9
65.00325	0.3
71.04210	0.4
75.66110	0.2
107.03761	0.2
107.07343	0.2
122.03753	8.1
123.04057	0.3
126.85892	0.2
133.03006	0.4
140.79567	0.2
152.03549	100.0
153.03891	2.6
161.02460	0.5
162.72375	0.2
170.45906	0.2
211.23448	0.3
231.99222	7.0
233.15456	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	232.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.5
59.01394	6.3
59.81305	1.1
67.01897	2.1
71.01379	2.0
71.55848	1.7
72.04546	5.7
72.99323	3.4
73.02976	1.5
77.95215	1.2
82.02991	20.1
83.01404	6.5
83.05017	2.2
84.04565	9.6
85.02964	33.3
86.59283	1.1
87.74501	1.1
88.04067	4.1
93.03486	2.0
98.02471	2.5
99.00895	1.5
100.04061	18.9
101.02460	21.5
102.05622	89.2
111.00877	2.9
111.04475	1.3
114.09258	17.5
117.05625	1.4
123.04494	1.3
128.03554	64.2
129.01964	87.6
129.03906	2.7
130.02245	2.6
140.07150	3.1
142.08749	6.0
144.04538	2.1
146.04572	1.9
152.07161	3.9
170.08229	3.7
186.07747	20.1
188.03508	1.4
188.09305	2.6
189.01869	1.5
214.07230	50.2
215.07536	1.7
232.08282	100.0
233.01009	2.5
233.06645	5.2
233.10385	5.2
233.15459	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
54.11649	0.3
57.03437	1.1
59.01378	0.7
65.89423	0.4
65.91219	0.4
69.03469	0.5
71.05024	0.5
71.56468	0.6
79.67559	0.4
83.05029	0.8
83.18265	0.4
85.02949	0.7
97.06611	0.4
125.09739	3.2
127.11304	4.7
139.11346	0.6
153.12881	0.7
155.10796	4.9
155.14444	1.0
165.12885	0.9
167.14412	1.7
171.10284	3.3
181.12331	4.4
183.10353	0.5
183.13892	1.7
193.12314	1.8
199.13408	6.7
201.11310	1.5
207.30688	0.4
209.11847	2.6
211.13411	13.1
218.28764	0.4
229.01489	0.8
229.14458	100.0
230.14787	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	230.013
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
50.42362	0.9
51.04733	1.0
59.01382	1.2
60.92533	0.9
63.60118	0.8
65.88403	0.8
66.03497	1.2
71.05044	1.3
73.01180	6.9
80.05074	2.2
82.02998	7.4
96.04559	32.7
97.06580	1.1
98.99115	6.1
99.08136	1.5
108.04571	30.3
109.04911	0.9
114.00207	89.2
115.04034	2.5
118.05192	1.1
125.06106	7.5
129.00787	1.0
142.03343	100.0
143.03648	1.7
157.27335	1.1
169.05096	2.2
186.02316	38.9
187.02628	1.1
201.77626	1.0
213.04033	1.2
223.37964	0.9
230.01295	82.0
230.10402	2.0
231.01654	2.4
231.05154	2.8
231.08723	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21303	0.6
51.52820	0.7
56.97977	0.7
59.01396	0.6
63.21678	0.6
66.67054	0.6
70.02994	0.8
71.01386	7.3
71.56120	1.0
72.00881	0.8
88.04050	100.0
89.04392	0.8
89.25049	0.7
89.90584	0.6
96.91022	0.7
96.99342	0.9
107.10695	0.6
112.07712	1.3
113.06096	8.2
114.01965	7.4
115.00396	17.0
132.03040	97.5
133.03369	1.0
142.19048	0.6
184.09790	2.4
216.06660	0.7
228.08801	14.8
229.01437	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0509
Annotation	2,3-Dihydroxy-2'-carboxybiphenyl
Peak:m/z	Relative Intensity
55.34457	0.2
60.72024	0.2
68.99822	0.9
69.03457	0.9
69.25333	2.3
71.01388	1.0
73.02924	0.3
79.01900	0.7
81.03425	0.4
81.99375	0.2
83.01406	0.2
85.02957	6.9
95.01398	7.0
98.20649	0.6
99.00898	0.6
104.74737	0.3
108.02190	8.0
109.02965	100.0
110.03301	1.7
113.02438	0.5
123.00908	6.2
123.04516	0.3
143.07242	0.2
152.54303	0.2
165.59525	0.2
167.05038	0.8
183.04550	0.5
185.06090	39.0
186.06403	1.7
229.01363	0.9
229.05069	18.7
229.14479	1.3
230.05432	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1291
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
66.13217	0.4
67.01898	0.9
70.87010	0.6
70.87337	0.8
71.95256	0.4
77.58492	0.4
95.01382	0.7
105.31644	0.4
111.00926	1.5
111.08186	1.1
139.00380	1.0
139.11226	0.6
165.12866	19.8
165.67453	0.5
166.13229	0.4
180.25999	0.4
182.99277	0.4
183.13916	100.0
184.14262	4.9
209.11882	2.9
227.03638	0.5
227.12904	18.5
227.16418	1.0
227.20174	2.1
228.13309	0.6
247.30969	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0927
Annotation	Decarestrictin E
Peak:m/z	Relative Intensity
54.67422	0.4
61.21779	0.3
62.38221	0.5
64.41500	0.4
65.88499	0.4
69.61384	2.4
69.96056	0.4
71.01401	0.5
72.99315	100.0
73.99654	0.8
75.00880	2.2
78.17213	0.3
78.17747	0.3
78.76617	0.4
79.51100	0.3
79.95750	0.6
85.10089	0.4
97.02940	0.4
107.05027	0.4
109.02982	0.4
112.98852	0.4
116.75095	0.5
122.03756	0.9
123.08171	0.4
125.06140	0.8
135.73930	0.5
137.99594	0.6
138.06917	2.2
139.00381	0.4
139.07689	2.9
143.60818	0.4
151.07664	3.6
152.04759	0.4
152.08458	3.9
153.01964	0.8
153.09233	1.3
160.86964	0.4
165.09250	4.8
181.86380	0.4
181.98705	0.4
183.13982	1.2
197.00911	0.7
209.08238	2.6
212.03171	0.6
225.22577	0.4
227.09268	32.0
227.20203	1.3
228.09613	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.3
65.03973	5.1
67.01892	2.7
68.35570	0.5
69.03468	0.9
69.31345	4.5
79.01897	0.9
81.03470	6.7
83.05054	0.6
91.01910	2.0
93.03470	6.8
96.95948	0.8
107.01401	56.4
107.05058	0.8
108.02200	19.2
109.02965	39.7
119.05037	2.1
125.02449	0.8
132.86707	0.6
137.02457	57.7
138.02783	1.6
152.01210	0.9
153.01932	1.1
163.11163	0.7
165.01872	0.9
181.01440	100.0
182.01770	2.7
196.92180	0.6
225.00421	24.8
225.04103	1.9
225.11407	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0407
Annotation	Prephenate
Peak:m/z	Relative Intensity
56.10955	0.7
59.01377	2.6
69.60170	1.6
69.60579	3.5
70.19197	0.9
71.01366	1.0
71.52691	0.7
72.99319	21.8
75.00896	2.2
80.79174	0.7
80.99300	1.0
81.03465	7.1
83.05037	27.3
93.03468	46.7
94.03786	1.3
96.96021	3.7
97.02977	1.1
98.20535	1.8
101.03983	2.4
107.05047	10.9
109.02968	1.1
115.28804	0.8
119.05040	100.0
120.05385	2.0
121.02958	4.7
123.04560	2.0
125.07250	1.5
134.03770	3.0
135.04538	25.3
137.02480	4.5
137.06053	1.2
145.08711	2.4
149.21310	0.9
150.03206	1.3
151.03996	1.1
153.07712	0.8
163.04031	61.2
164.04387	1.8
165.01913	3.2
166.06819	0.9
179.03510	4.6
180.04323	1.8
181.05103	21.6
183.67982	0.9
183.92366	0.9
189.01981	3.1
195.03014	3.0
195.06604	1.1
207.02997	13.3
207.10399	1.3
207.15067	3.5
210.05350	2.8
225.04083	96.7
225.07721	3.3
225.11374	3.9
225.16124	30.0
225.18370	1.4
226.04375	3.0
226.16544	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	225.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01387	100.0
60.01731	0.4
71.57104	0.4
83.05031	0.4
93.03460	2.2
93.80859	0.3
95.05054	0.7
97.06619	2.7
109.06596	0.8
125.02460	1.0
135.08189	1.6
136.98813	0.5
137.02461	0.9
137.09787	0.4
147.08191	2.9
163.11301	0.9
165.01953	0.7
165.09245	2.0
180.04297	0.6
181.12354	1.0
195.02876	0.5
195.06662	0.6
207.10316	0.7
210.05299	0.8
225.07738	1.3
225.11343	31.8
226.11662	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	223.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66652	3.5
59.01385	9.6
59.72933	2.7
71.01400	5.1
71.56889	5.0
73.02953	5.2
79.95759	3.5
81.83894	3.0
99.04521	4.4
115.93431	3.2
123.00861	3.3
135.00928	3.2
135.11823	35.9
136.12215	4.6
143.05009	7.7
151.04111	3.1
161.09750	7.3
165.01953	4.1
170.61337	3.2
178.99826	3.9
179.10786	100.0
180.11139	4.8
189.08943	3.3
193.01434	13.9
197.31851	3.2
208.03865	9.1
223.00685	9.7
223.02626	6.3
223.06096	11.3
223.09744	5.9
223.13347	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	225.0043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60974	0.6
59.01374	1.2
65.00330	0.9
69.37448	5.0
70.42467	0.6
74.62091	0.6
79.95741	0.8
80.64125	0.6
80.96552	1.0
81.03490	2.8
91.01920	1.6
93.03471	8.1
96.24696	0.6
96.95957	0.7
109.02962	91.4
110.02525	0.8
110.03294	1.7
125.02432	1.3
137.02457	100.0
138.02803	1.8
151.04065	0.6
163.00334	0.6
163.04002	0.9
165.01878	0.8
165.91260	0.6
181.01439	88.3
181.04927	1.9
181.09853	0.9
182.01768	2.5
225.00444	9.7
225.04240	1.6
225.11369	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.0
57.03447	3.8
59.01390	5.0
64.16317	1.2
69.03457	1.8
71.01385	6.0
71.56045	2.6
72.99319	48.3
73.02949	1.3
75.00883	7.5
78.95907	5.4
81.03462	20.8
83.01364	1.4
85.02956	34.7
87.00878	5.4
89.02433	1.5
96.96974	1.7
97.02969	2.4
99.00891	21.9
101.02454	3.1
101.42842	1.2
113.02438	7.0
117.01960	4.7
118.62225	1.3
125.02460	67.7
129.01956	74.4
130.02219	1.5
131.03532	1.9
133.01384	1.4
143.03528	8.4
144.95511	2.6
147.03021	30.6
160.28879	1.4
161.04567	2.6
165.04050	1.7
169.01532	2.0
174.96469	1.5
185.33145	1.2
205.03563	38.0
223.04616	100.0
224.04967	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	221.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.0
69.67163	1.7
69.67569	0.7
71.01405	0.6
87.00890	0.9
87.02745	2.2
98.20663	0.4
101.02467	0.5
115.05875	0.4
121.02970	0.4
131.05385	1.6
133.06947	100.0
134.07289	1.8
149.06145	0.5
177.05551	2.5
177.09282	0.4
221.08542	16.4
222.08925	0.4
234.81395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1549
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
51.10432	0.1
54.85292	0.1
59.01374	0.6
69.33727	0.2
69.34132	1.0
89.85276	0.1
91.86543	0.1
127.07654	0.6
133.06648	0.3
148.05307	0.4
149.02524	0.2
149.06119	0.7
151.07668	0.4
160.08911	0.2
164.08446	2.1
177.02051	0.2
177.05592	1.2
177.09201	0.1
183.38461	0.1
205.12352	2.0
206.12718	1.1
207.13905	1.0
220.14717	4.5
221.15472	100.0
222.15825	4.2
235.13474	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.3
63.62986	1.5
71.01382	4.7
71.18826	2.4
72.97546	1.8
72.99310	4.4
73.01180	66.1
73.02959	1.8
74.99103	6.3
78.95899	1.2
79.95760	1.3
80.96532	9.9
81.03457	1.9
83.01421	1.1
85.02966	5.2
87.00887	16.9
89.00686	3.6
90.98606	58.2
91.02243	100.0
92.02607	1.5
97.06608	2.5
97.09789	1.2
101.02454	3.7
102.98645	1.5
105.00150	2.3
109.02935	1.6
113.02502	1.6
117.00184	17.8
120.99673	41.7
123.00882	1.4
123.04531	1.8
125.02444	5.7
129.01961	6.8
133.59077	1.1
135.01239	88.3
135.04836	4.4
136.01540	2.4
136.99188	2.8
138.03250	24.3
141.05597	2.8
147.03073	1.7
149.02487	1.7
150.03203	1.8
151.00342	1.7
151.04070	1.6
151.07640	1.3
160.99158	1.3
161.02800	18.8
164.04750	2.9
179.00197	17.4
179.03780	4.3
179.07162	31.8
193.01466	5.0
205.01765	8.0
205.03571	3.1
208.03773	3.4
223.00613	2.2
223.02805	46.3
223.04518	3.1
223.06316	8.9
242.41504	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0286
Annotation	Foetisulfide A
Peak:m/z	Relative Intensity
51.62310	0.1
53.26948	0.1
56.27190	0.2
59.01381	0.4
59.96724	1.1
60.73209	0.1
62.71534	0.2
64.19507	0.1
64.19850	0.2
69.33988	1.1
74.99078	18.0
75.96225	0.6
75.99018	0.2
93.00139	4.8
101.02464	0.2
137.02542	0.2
149.00975	12.8
150.01013	0.5
150.98859	1.0
151.00381	0.2
155.95435	0.2
165.01848	0.2
178.99825	0.3
193.01428	0.3
199.28801	0.2
206.99713	5.6
207.99675	0.2
208.03760	0.5
223.02849	100.0
224.02885	5.6
225.00916	0.3
241.03966	0.9
242.04144	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37214	1.7
55.01881	3.3
57.03452	11.6
57.26333	1.1
58.99614	2.1
59.01106	2.2
59.01384	28.3
63.01457	1.3
69.03460	6.7
71.01392	27.1
71.56181	1.4
72.99316	12.2
73.02949	4.8
74.00739	1.6
74.99097	3.8
75.00873	4.2
77.73565	1.3
79.05544	3.8
80.20529	1.3
80.96516	8.0
81.03480	3.8
83.01380	2.5
83.05038	3.2
84.02174	2.0
85.02960	49.8
87.00902	10.4
87.04522	4.5
89.02453	11.3
93.03478	3.2
95.01392	2.1
95.04998	1.6
97.02966	5.8
99.00879	3.2
99.04520	2.6
101.02452	6.2
103.04062	1.6
107.04982	2.1
111.00892	1.8
111.04527	7.1
113.02448	8.3
115.02241	2.1
115.04010	3.4
117.05582	1.6
119.03532	4.2
119.04979	1.5
121.02954	3.9
121.06596	3.7
123.04570	2.2
125.02454	4.5
127.04007	1.6
129.01967	57.3
131.03548	12.6
131.05006	6.4
133.01439	6.8
133.03255	6.6
133.06612	5.5
134.02844	2.6
134.03749	3.3
141.01932	9.0
143.03479	3.4
147.00909	1.7
149.02409	4.8
149.06100	29.6
159.02968	5.3
159.04494	9.5
161.04562	3.7
162.03223	10.0
164.01137	1.5
175.04073	2.4
177.02069	11.0
177.05582	71.2
178.05974	3.8
192.00655	4.8
193.01237	1.5
193.05005	3.4
203.01926	2.5
203.03755	2.2
203.05663	3.8
206.02226	2.2
221.00978	6.1
221.04561	64.3
221.06679	100.0
222.05038	2.6
222.06871	2.6
235.06430	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	221.0668
Annotation	6-Acetyl-D-glucose
Peak:m/z	Relative Intensity
53.37214	1.7
55.01881	3.3
57.03452	11.6
57.26333	1.1
58.99614	2.1
59.01106	2.2
59.01384	28.3
63.01457	1.3
69.03460	6.7
71.01392	27.1
71.56181	1.4
72.99316	12.2
73.02949	4.8
74.00739	1.6
74.99097	3.8
75.00873	4.2
77.73565	1.3
79.05544	3.8
80.20529	1.3
80.96516	8.0
81.03480	3.8
83.01380	2.5
83.05038	3.2
84.02174	2.0
85.02960	49.8
87.00902	10.4
87.04522	4.5
89.02453	11.3
93.03478	3.2
95.01392	2.1
95.04998	1.6
97.02966	5.8
99.00879	3.2
99.04520	2.6
101.02452	6.2
103.04062	1.6
107.04982	2.1
111.00892	1.8
111.04527	7.1
113.02448	8.3
115.02241	2.1
115.04010	3.4
117.05582	1.6
119.03532	4.2
119.04979	1.5
121.02954	3.9
121.06596	3.7
123.04570	2.2
125.02454	4.5
127.04007	1.6
129.01967	57.3
131.03548	12.6
131.05006	6.4
133.01439	6.8
133.03255	6.6
133.06612	5.5
134.02844	2.6
134.03749	3.3
141.01932	9.0
143.03479	3.4
147.00909	1.7
149.02409	4.8
149.06100	29.6
159.02968	5.3
159.04494	9.5
161.04562	3.7
162.03223	10.0
164.01137	1.5
175.04073	2.4
177.02069	11.0
177.05582	71.2
178.05974	3.8
192.00655	4.8
193.01237	1.5
193.05005	3.4
203.01926	2.5
203.03755	2.2
203.05663	3.8
206.02226	2.2
221.00978	6.1
221.04561	64.3
221.06679	100.0
222.05038	2.6
222.06871	2.6
235.06430	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	218.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30989	0.4
59.01387	1.8
59.23956	0.4
67.59023	0.5
70.22495	1.1
70.22858	0.9
71.01392	10.7
71.05029	16.1
72.00919	1.0
72.04549	0.6
88.04052	100.0
89.04412	0.6
99.02070	0.5
99.04528	5.9
116.07163	2.9
129.05675	0.6
146.08246	48.7
147.08598	0.8
174.01979	1.1
175.04042	0.6
191.03444	0.6
218.04819	0.6
218.10345	23.9
219.02960	1.3
219.06645	0.6
219.10623	0.9
219.17499	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	8.6
59.01382	32.3
59.38846	6.9
60.91632	6.1
69.68053	44.5
71.01376	20.0
85.02958	31.8
89.02454	15.8
101.02473	15.0
123.36481	8.9
129.01955	15.9
182.07555	74.8
183.07515	8.8
220.04945	21.6
221.06667	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	3.6
66.03493	1.2
71.01402	0.8
71.56340	0.5
71.56728	0.5
76.50914	0.4
79.05538	0.5
85.02955	0.3
86.02473	0.4
87.02764	2.1
91.50395	0.4
93.03430	0.4
95.01403	0.4
121.03011	0.9
127.04033	1.0
131.05377	1.7
132.04591	0.7
133.06947	100.0
134.03720	0.4
134.07275	1.6
136.07658	0.5
146.06160	1.1
148.04990	0.6
149.02473	0.8
149.06096	2.7
150.09311	0.4
159.04504	0.9
161.04817	1.2
162.03209	0.7
162.05553	0.5
164.04526	0.5
164.07259	0.4
176.03398	1.8
176.07176	1.1
177.01976	3.9
177.05580	11.1
190.30663	0.4
206.02161	0.4
220.03453	1.7
220.06247	1.3
220.10138	6.3
220.12723	1.1
220.17950	1.5
221.01089	2.4
221.04605	6.0
221.11838	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0033
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73295	0.4
54.02548	0.4
59.01388	100.0
60.01720	0.8
71.03379	0.5
71.03739	0.8
73.77422	0.4
75.37241	0.4
77.37498	0.4
90.97153	1.6
96.96029	0.8
113.54073	0.4
118.96623	0.6
132.98239	2.7
174.99265	27.4
215.90633	0.4
217.00322	26.6
218.00737	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.5
68.76854	1.5
69.03448	2.1
70.43285	5.2
71.01408	1.9
71.05022	3.1
72.99319	32.7
81.03467	12.4
83.05035	61.8
84.05389	1.8
85.02992	1.9
87.00891	2.2
91.23477	1.6
93.03481	3.0
96.87284	1.5
97.02971	7.3
109.02981	3.4
111.04537	51.1
113.02526	1.6
115.03297	1.9
115.04029	22.6
115.15818	1.4
121.84235	1.2
125.05182	1.4
127.04030	100.0
128.04407	3.2
129.05589	8.4
137.02467	6.9
155.03523	83.4
171.03009	3.4
173.04556	1.9
181.07239	3.7
189.03928	2.1
199.02512	47.0
217.03510	21.5
218.06723	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	213.1499
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
54.18683	0.3
59.01387	0.7
59.89487	0.3
68.09982	0.3
70.76398	0.6
70.76754	0.4
75.63068	0.3
77.65951	0.3
97.02914	0.3
137.09721	0.7
165.12907	0.5
169.12422	0.3
170.04652	0.3
177.12813	0.6
183.13919	28.9
184.14297	1.1
195.13921	24.8
196.14276	0.9
197.99214	0.6
211.13310	0.6
213.14980	100.0
214.15312	3.8
234.41531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1499
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01376	0.4
60.70149	0.2
69.51566	0.7
69.51980	1.3
78.76154	0.3
86.31624	0.3
87.46925	0.3
89.29940	0.3
137.01604	0.3
177.12914	0.6
183.13918	29.3
184.14285	1.0
195.13914	24.1
196.14276	0.9
211.13406	0.6
213.14973	100.0
213.57516	0.3
214.15343	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	213.1135
Annotation	1-Methyl-3-(1-methylethyl)-1,2-cyclopentanedicarboxylic acid
Peak:m/z	Relative Intensity
57.03461	3.2
59.01373	6.2
61.53325	2.1
69.03466	6.7
71.01372	2.8
71.05025	100.0
87.00817	2.6
87.04559	2.2
93.03451	5.7
97.02956	13.4
97.06596	8.1
101.09303	2.2
115.04025	22.7
115.07664	15.6
125.09734	6.3
127.11311	53.8
128.99391	2.2
141.09259	2.7
141.12862	3.5
151.11276	8.6
169.12360	89.5
169.15988	3.3
170.12817	2.9
183.13818	4.2
185.02344	2.3
197.99173	10.7
213.01726	6.6
213.05614	3.2
213.11345	22.4
213.14992	45.2
213.18556	5.8
214.15535	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	212.0202
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20654	0.6
60.49533	0.7
70.25330	1.1
70.25697	1.4
75.37854	0.8
80.05067	77.3
81.05390	1.3
92.00184	0.6
96.36596	0.6
124.04057	100.0
125.04427	2.0
138.36580	0.6
166.08759	0.9
168.03035	46.8
168.10181	0.9
169.03392	1.1
212.01970	7.4
212.03674	0.9
212.09377	1.6
213.15108	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64209	0.4
57.25836	0.5
59.01399	1.3
59.12256	0.5
65.00331	0.8
65.35480	0.4
67.01882	1.1
68.99811	0.5
69.03456	3.1
71.55908	0.4
72.99338	0.7
78.95918	0.9
79.01910	1.0
81.03474	1.0
85.02975	0.7
93.03466	0.6
95.01399	5.2
96.96057	1.0
97.02959	2.3
97.06605	0.6
98.02471	3.7
99.04541	0.5
106.84676	0.4
107.01403	56.6
107.05048	1.3
108.01720	1.1
111.00893	1.1
111.02020	0.6
114.05628	2.4
114.43286	0.5
114.64196	0.5
119.05070	0.5
123.00902	19.0
123.04528	1.0
124.32843	0.5
125.02460	57.2
125.06098	2.3
126.02824	1.3
139.00371	0.9
140.01144	0.5
141.01851	0.7
141.06682	1.2
150.03139	0.7
151.00381	49.6
152.00758	1.7
166.99966	0.7
169.01439	100.0
169.09850	1.4
170.01779	2.1
170.08192	0.7
194.99377	2.8
195.03018	0.6
199.39421	0.5
202.77164	0.5
213.00426	34.7
213.01990	1.2
213.03954	1.7
213.07402	0.9
213.09277	1.0
213.11263	0.8
213.14777	2.4
213.18564	1.1
214.00774	0.8
214.07219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.056
Annotation	3-Phenoxybenzoic acid
Peak:m/z	Relative Intensity
57.78388	0.2
59.01371	0.6
69.03460	1.0
71.01389	0.4
71.05023	2.1
71.57803	0.2
74.19070	0.2
75.86582	0.2
81.03476	0.2
86.93391	0.2
89.40654	0.2
93.03468	100.0
94.03788	1.8
95.05042	0.2
97.02952	0.4
97.06595	0.9
98.03745	2.1
99.04543	0.4
105.14532	0.2
108.02169	0.2
113.09751	1.8
115.07660	2.2
125.09740	0.8
127.11298	2.1
141.12831	0.3
143.94992	0.2
151.11296	7.8
152.11633	0.3
152.43602	0.2
154.09964	0.3
169.06602	11.6
169.12350	2.3
170.06946	0.3
179.76761	0.2
183.13936	0.4
185.06154	0.2
194.99272	0.2
195.10294	0.4
195.13928	0.4
197.99236	0.5
213.05588	16.5
213.11331	4.8
213.14903	2.5
213.18657	0.5
214.05823	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1185
Annotation	(-)-Jasmonic acid
Peak:m/z	Relative Intensity
56.51184	0.4
57.03451	1.8
57.82457	0.4
59.01386	100.0
60.01722	0.6
69.23823	0.4
69.66417	1.6
69.66843	1.1
72.57114	0.4
80.02715	0.7
81.03484	1.0
84.08394	0.5
92.99863	0.9
95.55849	0.5
97.06596	2.9
97.07129	0.4
108.09215	0.4
109.06599	3.0
121.02985	3.8
149.09724	0.6
158.19807	0.5
164.98372	0.8
165.12857	4.0
171.60402	0.4
208.93460	0.5
209.04633	0.6
209.11841	13.2
209.13763	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1342
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
53.62156	0.5
59.01377	1.3
61.98815	0.9
65.00320	0.9
67.01887	1.3
68.99827	0.7
69.03457	1.1
69.48914	3.3
78.95888	0.5
80.03159	0.5
83.05044	0.7
92.99838	0.8
95.01396	4.6
97.02970	0.6
111.00909	1.1
121.02946	0.8
123.00889	1.6
123.04547	0.7
124.04005	0.6
125.04386	0.8
136.98834	0.7
139.00374	1.7
139.04008	0.6
148.98795	0.8
152.91779	0.6
156.93950	0.6
163.03969	0.6
164.98343	0.5
165.12851	0.9
166.91049	0.8
166.99846	1.6
167.03416	0.6
167.06041	0.5
167.10773	3.0
167.14430	1.7
168.00661	0.5
181.01424	1.1
181.05069	0.9
183.13901	13.8
192.97784	4.1
193.12352	3.8
194.54805	0.5
196.03841	1.2
210.98857	1.6
211.13400	100.0
212.13737	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	209.0458
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
51.09384	0.6
54.78475	0.6
57.31683	0.6
69.61199	2.4
69.61603	1.4
72.99317	34.1
77.89504	0.6
85.43837	0.6
91.05550	1.4
95.23911	0.6
98.20621	1.1
101.03986	1.7
103.05531	3.3
117.03512	1.1
119.05048	12.1
119.86923	0.6
121.02946	0.9
135.04555	8.7
147.04546	36.2
148.04892	1.2
163.04025	6.1
185.83047	0.6
191.03526	100.0
192.03856	4.2
209.04578	40.4
210.04877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
55.01872	4.9
57.03451	30.0
58.00591	4.5
58.99611	2.0
59.01385	61.4
59.25598	1.1
65.82224	1.1
69.03468	2.2
71.01006	2.4
71.01389	34.4
71.55621	1.7
72.99316	7.7
73.02949	6.2
74.39414	1.2
74.99105	6.4
75.00873	14.8
77.00687	1.4
78.95931	1.3
83.01383	11.2
84.02164	6.0
85.02958	85.9
87.00884	48.5
87.01337	0.9
87.01435	1.5
87.04533	2.4
89.02453	22.5
90.53336	1.2
97.02946	3.7
99.00901	6.3
101.02448	25.4
111.00864	6.9
111.04549	1.5
112.93394	1.5
113.02477	2.1
115.03997	2.0
119.03498	9.9
120.51045	1.4
126.58709	1.2
129.01961	48.1
131.03494	10.1
135.73666	1.4
136.99139	5.2
138.19875	1.3
141.01956	4.6
142.99869	1.5
150.39130	1.5
159.03029	8.5
177.55592	1.4
189.21902	1.4
191.05612	17.9
192.29599	1.4
209.06674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0668
Annotation	alpha-D-Mannoheptulopyranose
Peak:m/z	Relative Intensity
55.01871	2.1
57.03456	12.0
58.99611	16.8
59.01386	30.1
60.73208	1.2
69.03446	2.4
69.87092	5.3
71.01395	25.3
72.99316	10.8
73.01174	13.5
73.02928	2.9
74.99110	18.0
75.00468	2.2
75.00881	44.4
77.00668	14.3
78.95897	2.1
79.95733	4.9
80.96528	21.3
83.01391	4.3
83.05027	2.6
84.02161	2.2
85.02958	34.0
85.69177	1.4
87.00885	27.4
89.02448	11.1
90.98595	1.9
93.03455	1.2
96.96019	2.2
96.99367	1.9
97.02955	3.7
99.00906	14.4
101.02453	12.3
102.98604	6.5
103.02235	2.3
108.68697	1.4
111.00878	5.8
111.04546	1.6
112.98828	23.4
113.02461	1.7
115.00376	2.0
117.97222	1.3
119.03529	3.3
120.99667	19.5
121.03321	9.7
124.98838	6.4
127.04072	3.1
129.01967	17.5
131.03493	5.6
136.99178	7.4
137.02437	2.3
137.06110	2.6
140.98277	1.3
142.99879	100.0
144.00163	2.5
147.01208	2.7
159.02962	1.8
164.66100	1.4
165.02222	2.0
167.23642	1.3
173.00925	21.4
173.04552	3.9
191.00122	1.4
191.05606	10.0
209.01271	13.9
209.03065	2.2
209.04871	6.0
209.06664	58.3
210.07028	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	SCHEMBL9378885
Peak:m/z	Relative Intensity
59.01394	1.3
59.74015	0.2
65.91954	0.3
69.41150	1.8
70.25231	0.2
77.03965	0.3
78.49423	0.2
91.01917	0.5
93.03475	0.3
95.05050	0.7
105.03466	4.4
119.01350	0.3
121.02953	0.5
123.04501	0.6
132.51218	0.3
133.02974	34.6
134.03313	0.9
135.00897	0.8
148.01801	0.3
149.02460	2.4
151.04041	0.3
161.02463	0.3
163.00403	0.8
163.04027	0.3
164.04822	3.3
176.44328	0.2
177.01952	15.6
178.02390	0.3
178.99886	0.4
192.04305	100.0
193.04616	2.9
206.99323	0.5
207.03064	1.7
207.06641	17.6
207.13922	2.3
207.22211	0.3
208.07019	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0455
Annotation	Macrophyllide
Peak:m/z	Relative Intensity
51.47927	0.6
59.01392	0.9
62.15871	0.5
68.47904	0.4
72.75758	0.5
72.99315	36.7
89.35393	0.4
91.05549	1.3
101.03967	2.4
103.05541	2.9
111.48199	0.5
117.03470	1.0
119.05031	11.6
121.02965	4.6
135.04544	8.4
137.02419	0.7
146.20108	0.6
147.04536	38.9
148.04843	1.0
149.02550	0.6
163.04030	5.4
165.05577	0.9
165.09352	0.5
179.03549	0.8
191.03514	100.0
192.03830	2.8
194.02083	0.8
209.04568	42.1
209.11850	0.6
210.04935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0122
Annotation	2-Naphthalenesulfonic acid
Peak:m/z	Relative Intensity
55.97821	0.2
59.01383	1.1
71.56688	0.3
79.95741	15.7
80.96527	0.4
82.47220	0.2
91.01958	0.3
93.03460	0.3
115.05572	0.4
116.36158	0.2
119.05002	0.3
121.02983	0.3
135.00867	0.5
135.04469	0.4
137.09723	0.4
139.51401	0.3
143.05043	35.5
144.05371	1.3
148.01685	0.2
149.02432	0.7
156.27879	0.3
163.00397	0.5
163.04083	0.6
163.07629	0.3
177.01971	4.4
178.99879	0.4
192.04305	3.7
199.94196	0.3
207.01224	100.0
208.01544	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	207.0445
Annotation	4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne
Peak:m/z	Relative Intensity
57.64731	0.7
59.01371	2.3
63.46047	0.6
66.00978	23.1
67.03031	0.7
71.33669	1.3
74.75021	0.6
80.96518	1.1
86.50521	0.6
121.02880	0.8
135.04539	1.5
143.04984	1.0
148.18633	0.7
149.02473	1.7
163.00362	1.1
163.04146	1.1
165.02260	4.5
166.15352	0.7
177.01965	8.4
192.00795	0.8
192.04308	8.4
207.04462	100.0
208.04794	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	204.0304
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
62.04762	0.2
69.39928	0.8
69.40351	1.1
75.63615	0.2
78.69399	0.2
85.01067	0.3
85.42122	0.2
87.24041	0.2
91.01898	0.5
95.62957	0.3
116.05072	18.5
117.03473	0.2
117.05395	0.4
131.03847	0.5
132.04573	2.2
159.03285	2.6
160.04059	100.0
161.04370	3.3
181.35814	0.2
191.32274	0.3
204.03026	12.3
205.03438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0878
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
58.02980	20.3
59.01382	1.2
69.03458	3.2
70.03702	2.1
71.01388	2.1
72.04548	2.1
72.99303	2.7
74.02467	1.1
82.03008	0.9
84.04549	5.2
85.02959	13.8
86.06125	1.3
91.41673	0.7
96.04575	0.7
97.02959	2.1
98.02488	2.0
98.03300	1.8
98.06124	7.3
98.20622	0.8
99.04544	1.9
100.04061	18.7
100.07672	1.4
101.02450	2.1
108.04566	3.5
110.06117	2.7
112.98817	0.8
114.05612	4.7
114.09254	2.9
116.07192	19.9
118.78185	0.8
121.64635	0.6
124.07696	4.4
125.02458	4.6
128.07162	2.6
130.08698	0.8
137.21780	0.7
138.05606	4.7
140.07187	22.4
142.02203	0.7
142.08737	2.9
143.03517	0.6
144.06676	1.2
145.01422	2.3
158.08237	47.5
162.07729	5.5
168.06699	3.7
186.07724	19.7
202.07193	2.9
204.02257	1.9
204.08777	100.0
205.03625	1.3
205.09135	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43308	1.2
55.01875	1.5
57.03462	5.9
59.01376	3.4
62.43710	1.0
66.03509	1.3
67.01858	1.2
67.61082	1.0
69.03452	3.5
69.41422	9.3
71.01390	5.1
72.57082	1.3
72.99315	2.6
73.02980	1.7
75.00847	1.3
81.03471	2.5
83.01362	1.3
83.05035	5.3
85.02956	5.6
85.12257	1.1
87.00872	2.9
93.03461	2.4
95.05065	1.5
96.96111	1.1
97.06583	1.7
99.00837	1.9
105.03462	1.1
105.07078	1.0
106.04261	10.3
107.05026	4.0
109.06602	2.6
115.00401	3.5
115.07655	1.8
117.03503	1.6
119.04963	1.7
121.02969	1.5
121.06609	22.5
123.04539	1.7
123.08178	3.4
125.02460	2.0
131.05043	5.2
133.02963	4.1
133.06586	2.9
137.09747	2.6
145.06618	3.4
146.03732	1.1
147.00916	2.0
147.08162	14.0
149.02495	2.9
149.06122	5.0
149.09750	8.9
159.08174	2.3
160.08952	10.8
161.02466	7.7
161.06105	3.7
161.09743	12.5
162.03145	1.2
163.11314	42.8
171.08182	7.5
175.11302	91.5
176.11656	3.5
177.01935	3.5
177.12907	5.6
186.34227	1.1
187.04007	1.2
187.11287	29.7
188.11673	1.2
189.09212	4.1
190.02727	1.9
190.10048	8.2
203.10847	3.5
205.01468	10.1
205.05106	7.7
205.06985	2.4
205.12358	100.0
205.15831	12.2
206.12764	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	205.16
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01383	0.3
66.71630	0.1
89.00326	0.1
97.87078	0.1
123.05756	0.2
189.12866	1.8
205.01485	0.4
205.15984	100.0
206.16324	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	206.0823
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
53.43060	0.9
58.02983	33.7
70.02991	10.5
72.00909	5.0
91.05539	13.1
119.05030	1.2
135.04546	1.1
147.04544	40.4
162.09355	1.4
164.07179	100.0
165.07498	2.6
192.04343	1.7
206.08240	34.4
229.48021	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0829
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
55.23549	0.7
61.48590	0.7
71.01394	1.3
71.32881	1.6
72.00920	22.9
73.21461	0.7
74.02484	29.6
97.06605	2.4
98.46014	0.7
107.45861	0.7
116.05081	100.0
117.05392	2.2
130.06642	2.9
142.06641	28.9
143.07040	1.0
159.09285	18.0
160.04070	21.2
160.05374	1.2
161.04887	1.5
185.04582	3.5
186.05635	3.9
198.62451	0.8
203.03642	1.7
203.08279	56.7
204.03035	3.0
204.08588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.9999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01075	0.3
59.01385	18.3
60.01720	8.0
61.01814	2.3
61.98837	100.0
62.02140	0.2
63.43935	0.1
71.01387	0.1
71.56396	0.2
80.19919	0.1
83.05033	0.1
126.09245	0.5
133.02913	0.1
143.86510	0.3
150.50566	0.1
159.03265	0.3
160.03625	0.7
161.01212	0.4
161.87558	0.2
161.89378	0.1
162.01572	0.5
204.00047	0.8
204.02675	2.8
204.06712	0.2
204.12448	0.9
205.01277	0.3
205.03049	0.2
205.05000	0.2
205.12198	0.2
205.15883	0.5
222.33511	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	203.0351
Annotation	Droserone
Peak:m/z	Relative Intensity
52.36642	0.2
56.56717	0.2
59.01376	0.5
65.00346	0.4
69.03430	0.2
77.03973	0.2
88.85822	0.2
89.03983	0.8
91.05555	1.2
93.03472	0.2
97.02922	0.3
98.20679	0.4
101.04022	0.2
102.04755	0.4
103.05556	2.3
105.03472	9.1
106.03828	0.2
115.05561	0.6
117.03473	0.4
119.01416	0.5
119.05042	7.1
119.05907	0.4
120.05402	0.2
120.06293	0.2
121.02998	0.5
121.06629	0.5
123.04561	0.3
129.03479	0.4
130.04271	1.7
131.01556	0.2
131.05035	3.3
132.02176	0.5
133.02965	0.6
145.02965	0.6
146.03711	0.4
147.00848	0.3
147.04541	13.2
148.04889	0.4
149.02528	0.3
149.06093	0.5
157.03017	0.4
158.03749	3.9
159.04535	11.7
160.01711	1.4
160.04900	0.6
161.02483	1.6
173.02489	0.5
174.03259	1.3
175.04022	41.4
176.04381	1.5
185.02446	0.5
202.02786	0.3
203.03522	100.0
204.03850	3.6
209.87485	0.2
219.62158	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.01718	0.6
67.33553	0.3
69.34930	0.3
71.00654	0.3
71.00980	0.5
119.99020	0.3
127.13036	0.3
145.86699	0.3
157.03596	6.4
158.03726	0.4
159.01498	1.5
201.02592	12.7
202.02811	0.5
202.83498	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.02
Annotation	Oxaloglutarate
Peak:m/z	Relative Intensity
54.62758	1.3
57.03445	2.9
59.01392	1.3
60.99319	1.8
67.01926	1.6
69.03464	69.9
70.26710	1.8
71.01389	50.7
72.99323	7.2
75.00883	3.5
79.01905	21.3
83.01408	3.2
85.02953	9.5
87.00892	13.3
89.21848	1.1
95.01408	8.3
97.02960	100.0
98.03293	1.6
98.20013	1.6
99.00887	1.9
111.00893	5.2
113.02460	3.3
115.00376	8.8
115.04047	1.5
123.00892	4.2
129.01994	6.3
141.01959	22.5
147.04459	1.2
158.08215	2.1
159.03018	3.3
159.75905	1.1
160.04034	3.9
203.01982	88.7
204.02274	1.5
204.08812	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	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46154	1.2
66.03477	1.1
70.02968	4.5
70.46944	4.0
71.01384	1.6
72.04552	1.0
72.99308	4.6
75.00892	2.2
77.76292	1.0
83.05009	2.6
84.04546	3.6
85.15784	1.0
87.00896	1.8
92.05080	1.2
94.06616	1.5
95.05048	12.9
97.01694	1.3
98.02494	21.3
108.04544	6.4
110.02495	30.5
110.06145	7.8
111.04520	4.2
112.03468	1.3
112.04071	13.6
112.07701	8.1
113.06077	2.1
121.92927	1.0
123.03277	3.7
124.04027	3.9
126.05614	5.3
131.80843	1.2
136.04053	9.5
138.05630	17.9
149.79538	1.3
154.03889	1.9
154.05113	30.6
155.03543	7.0
156.06673	26.6
157.05019	1.8
172.06235	3.7
182.04597	39.2
190.70709	1.2
200.05664	100.0
201.05994	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	199.0978
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
54.09038	0.4
66.37044	0.5
69.32755	3.5
71.89574	0.5
73.02943	0.7
91.90531	0.4
92.99854	0.6
96.01186	0.4
137.09738	8.0
140.28885	0.5
155.10794	100.0
156.11087	2.2
160.57773	0.5
163.98262	0.4
181.08708	0.5
199.09781	7.5
199.17029	0.9
211.57201	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16951	1.0
57.04942	1.2
57.05803	1.2
69.03486	1.4
69.62777	1.3
69.89697	6.2
70.02992	3.5
71.01400	1.8
72.99316	5.3
80.05045	1.5
83.05055	2.0
84.04546	6.0
85.06626	1.3
87.00883	1.4
87.62046	1.1
91.00203	1.5
92.05061	1.5
94.02994	1.8
94.06637	2.0
95.05034	11.3
97.01738	1.3
98.02492	19.3
98.06080	1.3
108.04559	6.1
110.02488	29.3
110.06139	5.4
110.26408	1.2
111.04569	5.7
112.04066	10.5
112.07681	7.0
113.06087	3.3
123.03264	3.8
124.04062	5.1
126.05611	5.6
128.03551	3.1
128.04388	1.8
128.07219	2.5
136.04089	8.3
138.05623	18.9
154.05119	29.2
155.03467	6.0
156.06664	26.1
157.05035	2.5
172.06116	3.2
182.04599	35.0
200.05666	100.0
201.04076	3.6
201.05898	2.3
215.60974	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0772
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.48076	0.6
59.01377	0.7
65.00338	1.1
66.03500	0.7
69.03459	1.5
70.56988	1.1
75.79002	0.6
78.99384	0.7
81.03474	1.5
82.03015	1.7
83.01387	0.7
83.05057	1.4
84.15048	0.7
92.05086	2.3
94.02982	0.9
95.05006	1.4
96.96002	1.4
97.02959	1.8
98.02499	1.0
108.04563	2.6
109.02991	0.9
110.02488	0.9
110.06146	2.2
110.73915	0.7
111.04530	3.7
111.08167	1.2
112.04079	1.0
112.34876	0.8
119.05036	2.6
120.04539	0.9
121.05380	1.0
122.06110	4.0
124.04057	2.8
124.07693	100.0
125.08039	2.3
126.05649	0.7
127.04032	4.1
134.06148	2.1
135.03293	0.9
135.04445	0.7
136.07693	59.5
137.06123	0.8
137.08046	1.6
138.05632	1.0
139.00351	0.7
139.90761	0.6
152.03548	3.0
154.05104	9.9
154.08740	2.0
155.03560	1.1
168.06676	10.9
180.06673	61.1
181.07051	1.6
198.04134	2.6
198.07707	8.2
199.00769	0.9
199.16968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0409
Annotation	Isoclavulanic acid
Peak:m/z	Relative Intensity
65.00335	10.2
67.01914	0.9
69.03474	0.7
71.55796	0.6
71.56216	0.7
81.43993	0.5
82.02997	0.7
83.01412	0.6
94.02993	5.7
96.04586	2.8
97.02963	0.5
98.02473	0.8
106.02994	0.7
107.03789	0.7
107.05003	0.4
108.04568	3.5
111.04557	1.4
118.03055	0.6
120.78806	0.5
122.02506	0.9
124.04056	32.9
127.04070	1.5
134.02519	0.5
136.04074	5.0
147.34164	0.4
149.87538	0.5
152.03551	39.2
153.03873	1.0
154.05115	100.0
155.05484	3.0
198.04091	32.0
199.04428	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
53.00301	0.4
55.01873	0.4
62.00481	0.4
65.00318	0.6
69.03465	0.9
69.36892	2.5
71.01398	0.4
71.05035	1.3
83.05036	0.5
95.01375	0.8
97.02955	0.4
97.06605	16.2
99.08170	4.9
109.02931	0.5
109.06583	0.6
112.01672	0.6
121.02958	0.7
122.03783	2.2
123.00924	2.9
123.04523	0.6
125.02467	0.7
125.09730	0.5
126.03281	1.0
126.90543	0.7
128.73024	0.4
135.11740	0.5
137.09743	1.4
151.11308	1.1
153.05609	0.5
153.12872	100.0
154.13213	3.0
160.84233	3.6
162.83936	10.5
166.99864	1.9
178.99876	0.5
179.10788	22.6
180.11186	0.6
182.02229	4.0
197.02115	1.1
197.04558	1.3
197.06297	0.4
197.08197	0.8
197.11856	7.7
197.80846	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	197.0206
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00336	1.5
52.67363	0.4
53.00315	0.6
57.44714	0.4
58.59040	0.4
59.01379	1.0
60.93805	0.4
62.37020	0.4
65.00324	0.9
65.01446	0.9
65.03965	0.7
65.99860	3.1
67.01885	0.7
68.01424	0.7
68.99812	1.3
69.03452	0.5
71.01403	1.0
71.28059	0.8
76.01929	1.8
77.00329	1.0
78.03490	2.8
88.25095	0.4
89.00333	0.5
92.01412	1.2
92.99841	0.7
93.03500	0.6
94.02991	1.7
95.01399	2.7
97.02941	1.0
99.28046	0.4
104.01459	2.6
104.99849	1.0
105.02251	0.9
106.00595	0.6
106.02970	1.0
108.02188	1.5
108.99331	1.2
109.02992	3.5
116.92830	0.5
119.02463	0.8
120.00951	2.7
121.02973	1.4
122.02507	1.7
123.00903	4.6
124.98825	0.5
125.02474	1.0
126.90479	1.7
132.00938	1.2
132.43463	0.4
133.01701	3.0
136.00371	0.9
137.01460	0.4
137.02438	2.4
138.01974	2.4
138.03252	1.2
150.01997	7.7
153.01910	1.0
153.05547	1.0
153.09190	0.5
160.84206	2.3
162.83929	6.1
163.01476	1.2
166.99915	2.5
167.02245	1.9
168.01773	1.1
179.01073	2.8
179.39215	0.6
180.01805	5.8
182.02220	6.3
197.02054	100.0
197.11845	1.9
197.80803	5.7
198.02469	2.4
198.03938	0.5
210.85867	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0351
Annotation	Pisonin F
Peak:m/z	Relative Intensity
54.02140	0.3
55.92599	0.4
57.03450	1.3
59.01392	2.0
67.01902	0.7
69.34699	0.4
69.35107	2.4
71.01383	1.1
72.99284	0.5
73.02961	1.0
83.01430	0.3
83.05051	0.5
85.02956	12.8
87.00887	9.5
87.07465	0.3
91.01917	0.7
93.03474	2.7
99.04537	0.4
109.02981	0.8
111.00893	16.0
111.04525	0.8
119.05028	1.7
121.02969	100.0
122.03313	1.9
122.94138	0.3
127.03994	1.6
129.01958	1.0
130.99864	0.4
131.99506	0.4
135.00932	0.6
135.04582	0.7
147.00879	0.5
147.04524	7.0
161.04582	0.3
163.00388	0.4
163.04028	1.1
168.09496	0.3
171.03004	0.4
173.04558	0.6
176.01160	1.5
190.99921	0.7
191.01967	1.6
191.03569	11.4
191.05638	34.7
192.03952	0.4
192.05989	0.8
207.37479	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0563
Annotation	D-(-)-Quinic acid
Peak:m/z	Relative Intensity
57.03463	4.5
58.13116	0.2
58.78643	0.2
59.01386	4.4
63.21589	0.3
67.01904	3.2
69.03472	0.6
71.01398	3.0
71.05055	0.4
71.19015	0.6
72.99319	1.2
73.02950	2.0
80.64050	0.3
81.03457	1.4
83.01411	0.3
83.05035	1.1
85.02965	41.6
86.03290	0.5
87.00891	31.1
87.04533	0.3
88.01237	0.2
93.03471	8.2
95.01412	0.5
99.00899	0.9
99.04543	1.4
101.02462	1.0
101.06082	0.7
103.00409	0.3
108.02174	0.3
109.02980	2.3
111.00899	53.2
111.04519	2.7
112.01251	0.5
112.98820	1.0
113.02503	0.3
115.07659	0.4
117.01951	0.5
119.05056	0.3
127.04030	4.9
128.45645	0.2
129.01973	3.0
129.05595	0.6
130.99861	0.3
131.99626	0.2
135.04552	0.5
145.08745	0.5
147.04541	0.4
153.02008	0.3
154.99890	0.6
155.03580	0.4
163.04027	0.4
169.03833	0.3
171.03044	1.2
173.00883	1.2
173.04578	2.3
191.02101	5.7
191.05637	100.0
192.05997	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	195.1391
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
58.00317	0.3
59.01356	0.5
61.98824	0.4
68.99576	0.6
69.03488	0.3
69.83836	1.6
93.81463	0.3
96.96020	0.4
109.06602	3.6
110.23715	0.3
111.08164	3.2
112.98562	0.7
121.02937	0.3
122.03770	0.7
123.00876	0.6
125.09708	1.0
135.11823	0.4
138.06871	1.0
139.07600	0.4
142.29814	0.3
150.03146	0.4
151.00342	0.6
151.11292	0.4
152.91779	3.1
152.94499	0.4
160.84225	7.9
165.01941	0.3
167.14407	6.1
167.90466	1.0
168.14764	0.4
179.10788	4.4
180.04173	0.5
180.11494	0.6
194.45192	0.3
194.92967	1.8
194.95515	0.3
194.99352	0.6
195.13911	100.0
195.81107	2.6
196.14261	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	197.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.1
59.01389	0.9
61.98829	0.7
63.02402	0.5
64.01944	0.8
65.00338	1.2
65.03964	1.7
67.64960	0.4
68.99855	0.4
69.03455	0.6
70.35918	1.1
71.01378	1.3
81.03468	1.2
82.29649	0.4
93.03455	1.3
95.01405	2.1
97.02982	1.3
98.19923	0.4
108.99332	0.6
109.02966	14.4
109.06634	0.5
110.02515	0.5
110.03252	0.5
112.01704	0.6
116.92884	0.6
121.02972	2.5
122.02495	1.0
123.00896	5.3
125.02437	1.3
126.90507	1.3
137.02454	20.9
138.01976	1.1
138.03207	1.8
140.01254	0.4
140.03545	4.5
150.01979	3.2
151.00362	0.4
153.02019	0.7
153.05591	1.4
153.09274	0.5
154.91324	0.5
160.84265	5.2
162.83928	15.6
166.01413	0.7
166.99953	3.9
167.02251	9.4
167.03688	0.5
178.99956	0.7
180.00163	0.7
180.01782	13.3
182.02226	9.1
186.78824	0.5
196.89482	0.5
197.02054	100.0
197.11751	2.2
197.79153	0.7
197.80814	6.6
198.02357	1.7
199.01302	0.5
212.00789	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	188.0931
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
55.78917	0.6
58.02982	17.5
59.01384	1.3
60.20988	0.6
68.05069	4.1
69.22945	5.8
70.98276	0.5
72.04563	1.2
83.05044	1.9
85.03018	0.6
94.69701	0.6
98.06136	2.0
99.00900	1.1
100.07695	20.7
101.06080	3.3
102.05633	1.2
110.90329	0.7
112.07739	0.6
114.09263	55.4
115.09652	0.8
116.07143	0.7
127.04031	3.5
127.90253	0.6
128.03558	0.6
140.07181	0.8
142.08751	90.1
143.09106	1.6
144.04572	2.7
144.10233	0.8
145.03021	0.6
145.05000	0.8
146.08249	5.2
170.08234	0.9
171.03003	2.9
186.07774	1.1
188.00291	1.3
188.09302	100.0
189.04108	0.9
189.07928	0.7
189.09622	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	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
57.03198	0.4
57.03453	6.0
59.01375	1.0
67.01900	3.0
69.86607	1.0
69.87009	0.5
71.01386	1.0
72.15147	0.2
72.99316	1.6
73.02958	1.8
75.13866	0.3
75.43085	0.2
83.01369	0.4
85.02959	29.1
86.03252	0.3
87.00885	47.1
88.01226	0.8
93.03439	0.5
99.00873	0.7
101.02418	0.5
101.04460	0.2
103.04031	0.6
111.00891	100.0
112.01225	1.8
112.98807	1.2
117.01954	1.5
129.01953	6.0
130.99863	0.9
135.35487	0.2
147.02998	0.6
154.99902	2.0
173.00931	3.1
191.01994	9.5
191.05605	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	191.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80700	0.4
56.76576	0.4
57.03456	6.7
59.01387	0.9
59.79992	0.4
66.27501	0.4
67.01894	3.6
68.58074	0.4
69.78154	1.9
71.01392	0.6
72.99327	1.2
73.02958	1.4
79.44662	0.4
85.02961	31.7
86.03266	0.4
87.00889	49.3
88.01187	0.5
99.00887	0.6
101.02456	0.8
102.98708	0.4
103.04034	0.6
111.00898	100.0
112.01231	1.8
112.98804	1.6
117.01970	1.2
129.01967	5.6
130.99838	0.4
134.97462	0.5
147.03008	0.5
154.99936	1.9
173.00916	2.9
186.28262	0.4
191.02008	10.3
191.05649	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	191.02
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	6.1
59.01373	0.9
67.01900	3.4
71.01374	0.7
72.99316	1.2
73.02956	1.1
83.01429	0.4
85.02964	30.8
86.03276	0.4
87.00889	46.0
88.01243	0.3
99.00908	0.3
101.02474	0.9
103.04024	0.7
103.09666	0.3
111.00897	100.0
112.01222	1.6
112.98845	0.9
117.01972	1.0
129.01965	5.1
130.99869	0.9
147.03018	0.6
154.99907	1.2
173.00911	2.5
191.02014	8.9
191.05614	2.0
199.01927	0.4
201.04530	0.4
208.17514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01922	0.9
53.04350	0.8
54.06358	0.8
54.09609	0.8
54.99335	0.7
55.01867	1.4
58.02969	2.1
59.01387	4.0
69.03454	1.8
69.21349	8.2
70.02975	0.9
71.01391	3.0
71.05029	1.7
72.00916	13.0
72.04546	1.0
72.99317	5.7
78.95911	1.4
79.77205	0.8
79.95734	1.0
80.58539	0.8
80.96376	1.0
81.03469	6.2
82.03005	2.8
83.01402	5.0
84.35194	0.8
85.02961	1.0
86.06068	1.0
96.04555	1.4
98.02489	60.7
98.97401	1.1
99.00895	11.8
99.01934	1.0
99.04531	17.1
100.04062	11.2
100.07684	1.3
102.05629	5.6
110.00072	1.2
111.00838	1.1
112.04053	1.0
114.05630	9.1
115.04012	4.0
116.03551	100.0
116.07194	2.3
117.03923	0.9
124.04034	1.4
125.02454	21.2
125.09727	2.6
126.05580	1.0
127.00394	3.7
128.03557	5.9
142.05093	10.3
143.03491	6.8
143.04625	18.8
143.05598	1.6
144.03043	96.2
144.06683	5.3
145.03397	1.4
159.02956	3.7
159.04245	0.9
169.02621	1.2
170.04594	1.6
180.78391	1.0
187.02429	13.0
187.03661	21.1
187.06079	1.7
187.09706	1.8
188.05681	5.6
188.09221	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0355
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.52779	0.2
65.99841	0.2
69.83161	0.6
76.65189	0.1
98.19919	0.1
100.39880	0.1
102.03510	0.6
104.81981	0.1
116.05085	0.3
144.04568	100.0
145.04926	2.6
156.95853	0.2
159.03334	0.7
185.18697	0.2
188.03543	3.8
188.09286	0.2
199.96198	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	187.025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.0
57.03441	0.8
58.02975	2.1
59.01380	4.0
63.54934	0.7
67.01891	2.0
69.03468	0.9
70.48638	0.7
70.55793	1.1
70.56142	2.1
71.01385	2.0
71.05026	2.7
72.00913	8.1
72.04550	1.0
72.99307	5.5
81.03468	7.8
82.02998	1.3
83.01405	3.3
83.02930	0.6
83.05094	0.7
85.02994	1.1
87.00921	0.7
96.04583	0.9
97.02975	1.5
97.06633	0.9
98.02488	39.3
99.00891	8.7
99.04529	49.7
100.04053	7.4
100.07717	1.9
102.05620	9.8
113.02450	2.7
114.05629	3.6
114.29497	0.6
114.30378	0.6
115.04023	9.2
116.03551	64.3
124.04038	1.0
125.02460	100.0
125.07202	0.8
125.09709	1.6
126.02789	1.6
126.05638	1.6
127.00396	3.0
128.03548	8.8
142.05095	4.2
142.08797	0.6
143.03511	12.7
143.04652	10.7
143.68816	0.7
144.03040	63.4
144.06644	3.8
145.03415	0.9
145.06157	0.9
146.04625	1.5
157.01411	1.0
159.03004	1.9
159.04411	0.8
168.88985	0.9
169.01440	1.5
169.05064	0.9
170.04626	1.9
174.01515	0.6
187.02470	17.2
187.03685	13.9
187.06168	1.3
188.05605	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	181.072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	5.8
56.03822	0.8
57.03445	3.4
58.00588	2.6
59.01390	74.9
61.02933	0.8
65.98051	1.0
69.03448	2.1
69.53550	5.9
69.53893	1.0
71.01392	100.0
72.01724	1.9
72.99308	3.4
73.02953	17.7
74.69167	1.0
77.76472	0.9
78.98591	3.7
83.01398	10.4
85.02965	21.6
87.00874	3.3
88.60015	0.9
89.02456	68.7
97.02970	4.4
99.00821	1.0
101.02456	80.3
102.02801	1.5
103.04021	1.2
113.02483	8.2
119.03513	10.1
131.03529	5.2
143.03484	1.1
147.76363	1.0
149.04626	1.6
151.00423	0.8
161.04587	1.8
163.06154	15.1
179.05647	1.2
181.07196	61.3
186.16315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.03
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
65.00333	0.9
67.01898	0.8
68.99818	0.5
69.46972	1.5
69.47403	1.0
71.01395	0.8
72.99328	0.9
82.00607	1.1
83.01399	1.1
84.31818	0.3
86.00056	0.3
87.00907	0.4
89.02480	0.3
95.01381	0.5
98.20628	0.6
110.00112	1.4
111.00896	8.3
123.00897	1.2
124.01677	10.1
127.00397	3.8
136.98828	5.9
139.00395	8.0
139.01436	0.5
140.01180	13.3
140.69432	0.3
151.00421	0.8
154.99886	0.9
168.00662	16.9
169.01048	0.4
183.03004	100.0
184.03328	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	187.01
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	81.3
60.59888	0.7
61.98848	1.2
67.56955	0.7
69.53799	0.7
70.13076	2.8
79.88713	0.6
90.04243	0.7
90.97157	2.3
91.27259	0.7
93.62512	0.6
97.06606	1.4
106.80016	0.7
114.98914	0.9
115.02526	4.4
116.17466	0.7
117.00447	9.8
125.06092	0.8
125.09737	13.2
127.87074	2.7
132.98235	1.4
141.86819	2.8
142.89394	11.7
143.02010	3.0
144.99953	1.8
159.01511	100.0
159.86009	2.6
159.87836	0.8
160.01637	4.9
168.88979	1.4
186.88406	2.7
186.95622	2.0
187.00989	13.3
187.03934	1.3
187.06213	1.2
187.09796	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	181.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.0
57.03442	3.5
58.00588	3.2
59.01387	81.7
59.72150	0.9
63.96233	2.7
69.03474	1.6
69.17796	1.0
70.66592	3.0
71.01391	100.0
72.99339	2.2
73.02954	20.7
78.98601	10.2
83.01392	9.5
85.02957	22.1
86.76836	1.1
87.00904	4.7
89.02457	75.2
91.03991	1.1
97.02960	4.2
101.02455	92.8
103.04004	1.8
104.78134	1.0
113.02471	8.0
114.25661	1.0
115.04021	1.9
119.03526	11.6
119.76003	1.0
131.03484	7.2
149.04572	3.5
161.04579	1.8
163.06146	19.1
181.01802	1.5
181.07198	78.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
57.03453	1.3
59.01387	13.2
68.99827	0.8
69.03443	1.0
70.96675	0.5
70.97031	1.4
71.01389	9.1
71.05024	2.8
72.99314	9.7
73.02951	6.7
73.48095	0.7
75.00880	100.0
78.95894	0.8
81.03466	7.3
85.02965	5.2
87.00896	8.3
89.02458	5.0
97.02938	1.2
99.00889	7.1
99.04509	2.0
101.02460	0.8
104.63316	0.6
125.02452	1.3
131.03529	1.8
132.93771	0.6
138.03210	1.3
143.03508	14.6
161.04565	10.4
179.05629	47.5
180.06000	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	181.072
Annotation	Dulcitol
Peak:m/z	Relative Intensity
55.01891	4.8
57.03456	4.0
58.00609	3.1
59.01387	78.8
69.03486	2.4
70.13856	2.0
71.01392	100.0
72.01717	1.1
72.99315	3.4
73.02956	17.8
75.00878	0.5
83.01395	8.9
85.02964	17.9
87.00878	3.8
87.04474	0.6
89.02457	62.9
90.02782	0.8
91.03996	1.0
95.01369	0.9
95.33733	0.4
97.02956	4.7
98.20517	0.6
99.00883	1.0
101.02457	75.4
102.02793	0.9
103.04029	2.0
113.02467	6.6
115.04018	2.2
119.03522	9.3
121.05061	0.5
131.03497	5.1
140.55656	0.5
143.03482	1.2
149.04570	2.4
161.04555	1.0
163.06149	14.0
181.07198	60.6
182.07588	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0563
Annotation	muco-Inositol
Peak:m/z	Relative Intensity
52.21077	0.5
57.03466	0.7
58.00596	0.6
59.01388	16.3
68.99815	0.6
69.03451	0.5
70.66898	1.2
71.01395	10.6
71.05029	4.3
72.98895	0.6
72.99316	10.9
73.02960	6.9
75.00881	100.0
75.85331	0.5
76.01244	0.8
81.03468	7.1
82.72593	0.5
83.01398	1.7
85.02961	7.6
87.00887	7.9
87.04523	0.7
88.02512	0.5
89.02457	7.0
89.92928	0.5
97.02957	1.7
99.00898	8.7
99.04549	2.8
101.02471	0.9
125.02480	0.7
128.79723	0.5
131.03543	4.0
142.36893	0.4
143.03513	14.9
161.04572	12.3
179.05629	49.1
180.05972	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
59.01381	3.1
71.01393	3.2
71.56203	0.5
72.99316	0.8
73.02950	0.7
75.00879	3.4
80.02686	0.4
83.01381	0.8
85.02982	2.3
85.28542	0.4
87.00888	7.1
89.02457	1.7
90.36236	0.4
91.05542	20.3
91.78790	0.3
92.05860	0.3
93.03484	0.6
94.19479	0.3
97.02987	0.9
97.34406	0.3
98.60773	0.3
99.00924	2.0
101.02446	0.9
107.01402	0.7
107.05045	1.4
108.02199	1.1
109.02961	0.5
113.02474	0.6
117.01960	0.9
121.02995	0.7
123.04539	0.4
125.02456	0.7
135.04541	100.0
136.04881	1.9
141.02011	0.8
143.03531	0.7
151.00421	0.6
151.03998	0.6
161.04573	4.8
164.01199	0.9
164.04816	0.5
178.99913	0.7
179.03517	9.0
179.05637	6.8
179.07101	0.6
179.10789	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0352
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.58868	0.2
59.01386	0.8
59.69523	0.2
70.53806	0.5
70.54156	0.2
71.01405	0.6
72.41273	0.2
73.02944	0.2
75.00883	0.3
81.21001	0.2
85.02965	0.5
87.00883	1.5
89.03957	0.3
90.49071	0.2
91.05534	0.5
93.03474	0.2
95.01398	0.2
98.20569	0.2
99.00881	0.5
101.02452	0.3
102.64106	0.2
106.04233	0.2
107.05050	1.7
110.39268	0.2
117.03477	0.7
134.02733	0.3
134.03761	6.4
135.04543	100.0
136.04866	2.7
141.01961	0.2
151.00392	0.2
154.89046	0.2
161.04611	1.1
164.01137	0.3
164.04886	0.2
179.03519	15.1
179.05565	0.9
180.03851	0.5
193.09637	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.5
61.98838	0.4
69.80936	0.9
69.81330	0.3
71.01411	0.3
78.95911	2.4
79.95717	0.4
87.00893	0.5
87.42480	0.2
119.93773	0.9
120.79813	0.2
134.96106	40.5
135.96169	1.7
136.94026	100.0
137.19730	0.2
137.94092	4.2
138.94458	0.3
151.92734	14.5
152.92805	0.9
161.04657	0.3
178.95084	60.6
179.05647	0.3
179.95213	2.7
196.96075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	0.5
61.98831	0.8
63.31506	0.1
71.01400	0.2
71.32274	0.1
73.02973	0.1
75.50146	0.1
78.95921	0.5
79.95763	0.2
80.96497	0.1
85.02975	0.3
86.70475	0.1
87.00896	1.0
89.02441	0.1
95.95211	0.1
97.02995	0.1
99.00894	0.2
107.93270	0.1
117.01928	0.2
119.93693	0.9
119.94369	0.1
125.02461	0.1
134.96104	32.1
135.04523	0.2
135.93228	0.1
135.96158	1.3
136.94022	100.0
137.94093	4.1
138.94461	0.2
151.92731	15.7
152.92815	0.7
154.95090	0.3
161.04562	0.5
164.01154	0.1
178.95073	56.6
179.05630	0.5
179.95174	2.3
196.96085	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0559
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
59.01384	0.6
65.07701	0.2
65.51888	0.2
71.01402	0.5
71.20948	0.6
82.50773	0.2
93.03473	1.1
93.50263	0.3
95.00019	0.3
95.05074	0.3
99.00944	0.4
105.03490	1.5
108.02168	0.3
111.01133	0.2
117.03481	40.7
118.04305	5.4
120.47407	0.3
121.02972	26.2
122.03285	0.4
123.04543	9.3
123.70477	0.3
133.02979	5.3
133.06616	0.4
134.03777	2.5
145.02971	55.8
146.03294	1.6
147.04532	0.5
147.70491	0.3
149.02466	0.7
149.06122	0.8
149.49344	0.2
162.02209	0.2
162.03236	12.2
177.02396	2.0
177.05583	100.0
178.05904	2.9
183.14232	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.077
Annotation	3-O-methyl-alpha-L-rhamnose
Peak:m/z	Relative Intensity
50.03160	0.8
56.16336	0.9
56.62270	0.8
57.03455	11.4
59.01371	3.0
69.03455	3.3
71.01389	5.9
71.05034	2.5
72.99318	3.8
73.02953	19.5
75.00884	2.7
78.95914	9.8
79.95764	1.7
80.78902	0.7
83.01413	2.8
83.05045	13.4
85.02963	11.7
87.00878	4.3
87.04526	25.5
89.02440	3.1
95.05033	5.4
97.02959	3.8
97.06611	2.0
97.16299	0.8
99.00909	1.4
99.04517	1.1
100.55569	0.9
101.02470	1.9
101.06101	2.8
112.15710	0.8
113.02453	3.5
113.06104	5.7
115.04015	5.2
115.07683	1.0
129.01950	1.0
129.05635	1.9
131.03534	2.8
131.07155	50.9
132.55882	0.8
133.02995	1.0
133.05093	7.6
141.01970	2.6
141.05594	1.6
149.06110	2.0
158.92567	1.7
159.03009	13.0
159.06630	17.5
162.03264	2.9
175.06183	1.9
176.93636	1.8
177.01962	3.1
177.04140	3.5
177.07703	100.0
178.08067	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	175.0402
Annotation	1,3,8-Naphthalenertriol
Peak:m/z	Relative Intensity
51.93718	0.5
59.01387	5.4
64.54071	0.5
65.03986	0.7
68.99819	0.6
69.36358	4.7
71.01398	6.5
72.99322	0.7
73.02969	0.5
83.05062	0.5
85.02952	2.1
85.06598	0.7
87.00883	13.4
89.00364	0.7
89.03999	0.6
91.05544	11.6
93.03472	2.2
95.05028	0.7
101.10435	0.5
102.04755	1.4
103.05566	2.5
105.03465	9.8
107.05037	1.6
113.06139	1.2
115.00385	11.1
115.04026	1.8
119.01394	1.0
119.05037	10.1
121.02959	4.0
121.06585	0.7
123.04537	0.8
129.05611	0.8
130.04262	1.8
131.03506	1.0
131.05034	7.9
131.07133	0.8
131.58745	0.5
132.02182	7.5
133.03017	2.5
135.04568	0.9
136.01656	0.7
137.06029	0.6
145.02956	0.7
145.68655	0.5
146.03734	1.8
147.04536	56.1
148.04854	2.5
149.02371	0.8
160.01677	5.2
173.12622	0.5
174.03194	2.5
174.88986	1.8
175.04012	100.0
176.04507	2.6
183.90891	0.6
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
50.17927	0.3
50.95300	0.4
57.03445	1.2
59.01385	6.3
65.99409	0.4
69.03454	0.5
70.28758	0.9
71.01399	2.6
71.05016	0.6
85.02954	1.0
85.06596	42.8
86.06924	0.7
87.00882	4.6
87.04549	1.9
92.68379	0.4
113.06098	40.5
114.06465	0.7
115.00401	4.6
115.04022	100.0
116.04369	1.6
118.36837	0.4
129.05565	1.6
129.09213	2.3
131.03543	0.4
131.07152	8.5
147.04555	0.9
157.05081	8.6
158.05449	0.4
165.28638	0.4
174.88998	1.9
175.02553	1.3
175.06128	48.6
175.09570	2.3
176.06502	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.025
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
54.60371	0.9
57.03450	1.5
57.87481	0.9
59.01387	30.2
67.01897	1.9
69.03439	1.1
71.01392	41.2
72.99321	4.8
73.02948	3.9
77.13789	0.9
80.92540	0.9
83.01385	1.6
85.02969	7.6
87.00886	96.7
87.02748	2.2
101.02436	1.3
112.84200	1.1
112.98826	2.3
113.02478	1.2
113.06080	1.8
115.00388	100.0
115.04041	2.8
119.05003	1.2
120.04286	1.0
127.00375	1.5
131.03479	1.8
147.04547	3.1
174.89000	3.7
175.02481	23.5
175.04010	7.6
175.06093	4.7
175.07452	1.5
175.09775	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	L-xylo-hex-3-ulono-1,4-lactone
Peak:m/z	Relative Intensity
57.03455	1.5
58.00619	1.0
59.01106	1.8
59.01388	29.5
69.33376	9.0
71.01390	37.5
72.99306	4.2
73.02950	3.6
83.01371	2.1
85.02962	2.3
87.00886	89.4
98.19839	1.8
112.98819	3.2
115.00387	100.0
116.00713	1.6
175.02512	22.2
175.03951	1.6
184.12650	1.3
187.66583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0773
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02982	40.9
58.75780	0.6
59.01383	2.2
69.03451	2.0
70.42429	2.3
71.01381	2.5
72.01724	2.4
73.02985	1.2
77.85735	0.6
80.14421	0.6
85.02956	2.9
86.03297	1.0
86.06124	17.2
86.71819	0.7
87.00878	1.6
87.06448	0.7
88.04054	2.6
97.02941	1.0
98.06099	0.7
99.00890	0.8
100.07697	51.5
101.08017	0.6
111.00874	0.9
112.01227	2.8
112.07710	0.8
113.02464	0.6
114.05629	2.6
115.00339	1.0
120.99680	0.8
125.99162	1.0
128.07193	100.0
129.07535	1.9
130.05162	1.0
132.06680	17.2
144.00192	3.6
156.06682	2.7
157.01465	0.8
172.06148	2.0
174.07730	82.4
175.02441	0.8
175.08054	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	175.0248
Annotation	(4S)-4,6-Dihydroxy-2,5-dioxohexanoate
Peak:m/z	Relative Intensity
57.03429	1.5
58.00606	1.3
59.01106	1.9
59.01385	24.9
60.52513	1.0
67.01904	1.3
69.03449	1.5
71.01390	42.9
71.01783	2.8
71.56277	1.5
72.99306	5.1
73.02956	5.8
73.04279	1.1
83.01412	2.5
85.02951	7.8
85.06584	1.3
86.57873	1.3
87.00887	90.1
91.05565	1.1
92.58772	1.3
100.25212	1.2
101.02442	1.1
112.98790	3.2
113.02453	2.2
113.06104	1.3
115.00385	100.0
115.04007	2.7
119.05020	2.6
130.04254	1.1
131.03497	1.5
131.04976	2.5
132.02185	2.4
147.04544	8.7
160.01678	3.2
174.89015	5.9
175.02458	23.6
175.03998	17.2
175.06088	6.9
175.07454	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	172.0981
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
58.02981	1.5
59.01365	0.2
65.89555	0.2
67.01907	0.7
70.36306	0.3
70.36639	0.5
71.01385	0.4
82.06635	0.4
92.98602	0.2
93.03473	2.3
98.58723	0.2
111.00891	0.4
111.04543	0.3
111.08195	0.4
128.10838	2.5
130.08751	100.0
131.09106	2.1
172.09798	12.0
173.04562	0.3
173.10205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0092
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
53.00307	3.3
55.01882	5.0
57.03450	5.4
58.02967	1.7
59.01383	7.8
67.01893	9.1
68.99820	3.2
70.42239	0.7
70.74506	0.7
70.75146	1.6
71.01389	80.9
72.99317	7.1
73.02948	3.8
80.99810	1.9
81.63819	0.7
83.01393	11.0
83.05048	1.5
85.02956	29.8
87.00888	7.2
93.03448	1.2
96.99314	5.2
99.00890	22.8
100.07707	2.7
101.02457	1.8
103.09122	0.7
111.00891	100.0
111.04522	2.3
112.01250	1.7
112.98820	53.5
115.00368	4.7
124.98817	29.1
128.07213	5.8
129.01976	6.0
129.05589	1.1
140.98317	3.1
142.99875	94.5
144.00195	1.8
154.99841	5.7
158.99382	0.8
173.00972	7.4
174.07684	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0093
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
51.63390	0.6
53.00327	3.4
55.01889	7.2
57.03451	3.5
59.01387	4.2
67.01908	3.0
68.13065	0.6
68.99835	2.7
70.75182	2.0
71.01392	98.5
72.01720	1.5
72.99311	3.0
73.02966	4.0
80.99828	2.1
81.00877	0.7
83.01395	8.3
85.02971	5.4
87.00893	6.2
89.32068	0.7
89.32658	0.7
93.03477	1.0
96.99327	6.6
99.00899	33.6
100.01257	0.7
101.02467	0.6
111.00902	20.2
111.04523	1.0
112.98834	24.0
115.00375	3.3
123.11349	0.6
124.98827	41.0
127.71827	0.6
129.01962	2.9
140.98335	3.1
141.78766	0.6
142.99886	100.0
144.00253	1.9
154.99908	2.4
173.00926	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	169.0145
Annotation	Gallate
Peak:m/z	Relative Intensity
55.01897	0.2
67.01907	0.9
68.99900	0.2
69.03465	4.7
69.90189	0.7
70.77365	0.2
71.01389	0.4
73.56709	0.3
79.01908	2.1
79.95757	0.2
81.03461	2.1
83.01399	0.4
85.76310	0.2
89.01273	0.2
95.01389	0.9
97.02963	4.0
98.20605	0.2
107.01385	1.3
108.02179	0.2
123.00840	0.4
124.01663	1.5
125.02464	100.0
126.02798	2.0
150.97171	0.3
167.87639	0.2
169.01443	26.4
170.01778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81364	0.4
54.91787	0.5
58.02993	2.2
62.57732	0.4
67.01913	2.2
69.03490	0.5
70.03003	0.4
71.01389	1.0
87.31280	0.5
93.03474	8.8
98.20668	0.9
106.38019	0.5
111.00903	1.4
111.04561	1.2
111.08177	0.6
128.10826	6.4
130.08755	100.0
131.09094	1.6
132.88527	0.4
144.04547	0.9
145.03009	0.5
162.05684	0.5
172.09787	15.7
184.45386	0.5
192.33769	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0407
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
50.92503	0.4
55.01889	0.4
57.03448	0.5
59.01390	7.3
69.57430	2.1
71.01390	5.2
72.99319	4.1
73.02952	2.9
75.00880	9.5
78.74369	0.4
79.95755	0.7
85.02954	0.4
87.00888	100.0
88.01244	1.1
89.02461	2.6
98.19842	0.4
99.00894	12.0
100.52193	0.4
101.02477	3.8
105.01949	78.7
105.30682	0.4
106.02291	0.8
117.01951	3.1
119.03496	0.9
129.01962	0.9
135.02998	2.5
139.24475	0.4
147.03026	7.8
165.04060	51.0
166.04398	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58475	0.4
56.28574	0.4
57.97917	0.5
58.02983	100.0
58.28149	0.5
67.01890	0.6
69.03465	2.4
70.02988	0.9
79.01906	0.8
81.03494	1.0
82.95425	0.7
84.15975	0.4
89.86263	0.5
95.01428	0.6
97.02975	2.0
124.01694	1.1
125.02462	53.5
126.90411	0.5
151.11363	0.6
168.13943	8.4
168.15211	0.5
169.01450	15.4
176.96225	0.4
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	phenylalanine
Peak:m/z	Relative Intensity
51.65553	0.5
56.32584	0.5
59.01326	1.6
70.43514	1.6
71.01340	1.6
72.00917	41.8
72.01288	1.4
72.92498	0.5
72.99271	0.8
73.02883	0.5
75.00848	2.3
77.03969	3.2
85.02950	0.5
86.03277	0.6
87.00881	9.9
89.02413	1.0
91.01868	0.5
91.05551	1.0
92.05050	1.1
92.99800	1.4
93.03459	2.8
99.00850	1.5
100.16160	0.4
103.05521	1.7
105.01951	7.4
108.02192	0.8
109.02942	1.3
119.05043	6.7
120.04613	1.5
120.05373	26.2
121.02971	42.3
121.06606	0.6
136.04027	1.6
137.02478	2.8
146.06241	0.6
147.04538	100.0
148.04893	2.6
149.01013	0.7
150.03224	1.7
164.00827	0.7
164.03381	1.0
164.04491	1.6
164.07202	44.7
164.89719	0.7
165.01965	5.2
165.04080	4.7
165.05516	1.2
165.07549	1.2
165.09138	0.7
166.66327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.0719
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
50.45417	0.6
53.25822	0.6
54.44569	0.5
62.14252	0.6
68.76665	0.7
71.01383	1.5
71.32307	1.0
72.00919	40.1
75.00875	1.9
76.74038	0.6
87.00886	10.7
91.05523	2.8
93.03459	0.7
99.00883	1.3
103.05552	4.2
105.01955	8.2
110.00962	0.6
118.06596	0.8
119.05043	2.2
120.05364	2.2
121.02966	5.4
137.02464	0.9
147.04539	100.0
148.04893	1.9
164.07190	46.8
165.01967	1.2
165.04073	4.8
165.05399	1.0
165.07515	1.4
180.74101	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0195
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
57.30746	0.4
59.01377	0.5
62.69133	0.3
69.48438	2.3
73.69814	0.3
75.00876	0.4
77.03969	1.9
87.00887	3.8
92.99828	0.5
93.03471	2.2
99.00914	0.4
105.01955	2.4
108.63773	0.3
109.02998	0.6
111.94122	0.3
121.02972	100.0
122.03302	2.1
122.99591	0.3
137.02435	0.8
150.03229	1.2
164.89571	0.6
165.00551	0.5
165.01942	8.3
165.04007	1.9
165.05428	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53535	0.8
57.03447	6.9
58.00600	1.9
59.01384	10.6
59.77842	0.8
69.03474	15.2
70.08437	2.5
71.01395	9.4
71.05014	2.2
72.99325	1.8
73.02959	24.9
81.03468	8.1
83.01392	2.2
83.05052	2.9
85.02954	12.6
87.04541	5.9
97.02934	0.9
98.19865	1.0
99.04540	10.4
101.00231	0.7
101.02480	2.5
109.03017	0.9
115.04020	3.4
117.05598	66.6
118.05922	1.4
119.05040	3.4
127.04002	2.5
131.11011	0.8
143.03574	1.1
145.05081	21.6
161.04579	3.6
162.89362	2.9
163.06146	100.0
164.06461	2.2
178.97847	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19817	0.9
53.91879	1.0
57.03449	4.6
58.00588	2.3
59.01385	11.6
60.55330	0.9
65.03986	1.3
69.03468	15.1
69.77457	2.0
69.77874	2.9
71.01398	14.2
71.05022	2.0
73.02953	41.5
76.65763	0.9
81.03469	9.4
83.01398	3.9
83.05021	3.0
85.02966	12.5
87.04512	5.8
89.02454	1.5
99.04527	12.8
101.02465	2.9
115.04032	3.2
117.05593	64.9
117.55843	0.9
118.64568	1.0
119.05038	5.2
127.03963	2.0
142.36005	1.0
143.03517	1.5
145.05095	26.8
145.39166	0.8
161.04550	3.6
162.89352	1.2
163.06145	100.0
164.06488	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	163.1118
Annotation	4-Isopentylphenol
Peak:m/z	Relative Intensity
59.01371	5.2
70.86928	2.1
70.87240	1.5
71.01381	2.5
85.02958	5.1
89.02458	1.7
89.34084	1.4
101.02453	6.8
103.03991	1.4
113.00066	1.5
119.01443	1.9
119.05038	82.4
119.84339	1.3
120.05360	2.5
146.76671	1.5
162.83919	23.1
162.89311	1.7
163.00407	1.9
163.04004	5.7
163.06117	9.5
163.11299	100.0
164.11613	3.0
174.04059	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	161.0458
Annotation	Lichenin
Peak:m/z	Relative Intensity
55.01878	9.2
57.03448	14.8
58.00598	4.7
59.01387	100.0
61.98846	3.8
69.03464	6.5
69.04916	1.4
71.01389	69.7
71.55526	1.8
71.59009	1.4
72.99328	8.9
73.02953	54.4
75.00881	13.0
78.95908	6.4
79.95744	4.4
80.96509	4.3
81.03458	11.8
83.01396	21.7
84.02171	2.4
85.02962	87.1
87.00884	25.7
87.04526	1.9
89.02464	17.7
95.01363	2.8
96.96030	5.1
97.02935	8.3
99.00903	4.7
99.04543	8.4
101.02447	14.2
103.03977	1.6
113.02458	18.4
115.03988	3.9
117.03479	3.3
125.02426	4.4
129.01978	2.2
131.03525	35.6
133.03021	2.9
143.03532	2.6
159.03098	1.9
160.84296	2.2
160.89331	5.9
161.01309	2.5
161.02573	15.7
161.04572	84.5
161.08240	2.0
161.89397	1.5
162.01941	4.6
162.04926	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	161.0458
Annotation	3-hydroxy-3-methyl-Glutaric acid
Peak:m/z	Relative Intensity
55.01903	0.8
57.03456	100.0
58.03793	1.3
59.01388	25.8
59.01696	1.5
70.10674	3.1
71.01406	3.1
71.05041	2.3
73.02959	1.4
77.99898	0.7
81.03477	0.8
83.01412	0.6
85.02975	2.6
87.00900	0.8
89.02459	0.8
97.02963	0.7
99.04531	89.5
100.04862	1.7
101.02453	28.7
115.04046	1.5
117.05625	1.7
131.03496	1.0
143.03470	3.4
159.45720	0.8
161.04565	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	161.0458
Annotation	2-Deoxy-scyllo-inosose
Peak:m/z	Relative Intensity
51.42558	1.7
55.01882	11.5
55.51953	1.7
57.03452	16.8
57.61342	1.8
59.01384	84.2
69.40383	14.2
71.01391	100.0
72.99292	3.9
73.02953	36.9
75.00865	4.3
81.03474	2.5
83.01395	17.2
84.02170	2.0
85.02960	61.1
87.00888	6.3
89.02448	3.4
92.95122	1.7
95.01392	9.4
99.00885	8.3
99.01540	1.7
99.04517	2.5
101.02457	29.0
113.02460	16.0
115.07667	9.3
121.74406	1.8
123.99384	1.9
125.60284	1.8
128.94249	1.7
131.03503	6.0
133.03001	2.5
144.62329	1.8
160.84175	3.0
161.04553	14.1
161.08202	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	158.0825
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
55.01865	0.4
55.02549	0.3
57.03456	0.6
57.20457	0.3
58.02983	1.9
59.01388	1.4
67.49881	0.3
68.99462	0.3
68.99841	0.5
69.03489	0.4
69.98637	1.4
71.01393	1.8
72.99324	0.6
73.02952	2.4
73.56029	0.3
83.01399	0.4
85.02945	0.7
85.83031	0.3
87.00882	1.7
97.02954	0.8
97.06602	0.9
99.00897	0.9
99.92600	1.0
100.10249	0.3
101.02462	1.0
111.00903	1.2
112.05804	0.3
113.02480	1.4
114.09260	6.9
114.09937	0.3
114.94941	0.5
115.00395	0.5
115.09608	0.4
116.07191	100.0
116.92872	2.3
116.94035	0.6
117.07555	2.0
129.01950	1.4
141.02002	0.5
158.03569	0.5
158.06129	0.8
158.08232	13.0
158.89310	0.7
159.03012	2.9
159.06682	0.5
159.08437	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.03
Annotation	2-Oxoadipate
Peak:m/z	Relative Intensity
54.79517	0.9
55.01880	1.8
57.03453	82.5
58.02981	80.5
59.01384	11.6
66.80692	0.9
69.03462	24.6
70.02991	1.0
70.39174	2.6
70.39521	1.2
71.01391	24.4
71.05029	12.8
72.04552	1.1
72.99317	14.8
73.02943	2.1
74.02477	11.5
77.38587	0.9
78.95913	14.7
79.95757	0.9
83.01392	3.7
83.03410	1.2
84.04549	7.7
85.02959	45.4
86.06125	3.1
87.00880	6.2
87.04520	6.2
87.05721	1.3
87.06458	3.2
88.04047	38.5
88.04588	2.0
96.04456	1.0
97.02960	58.8
97.06591	1.3
98.02491	3.6
98.06131	5.4
98.19996	1.4
99.00921	6.5
99.28324	1.0
101.02459	5.9
109.76202	0.9
111.00902	1.5
112.04051	2.6
113.02462	30.5
113.04405	4.6
114.05624	11.7
115.00362	1.1
115.04021	36.0
116.03582	2.0
116.93977	1.1
118.05112	13.1
129.01947	3.7
130.05122	6.3
131.03516	7.3
133.14107	0.9
141.01956	21.8
142.05118	6.0
157.89287	0.8
158.89336	10.7
158.92554	12.7
159.03012	100.0
159.06619	2.2
159.89417	12.6
160.03236	1.7
160.04219	1.7
160.06165	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	160.0617
Annotation	3-Amino-2,3-dideoxy-scyllo-inosose
Peak:m/z	Relative Intensity
55.01889	0.6
55.46861	0.3
57.03460	3.9
58.02982	100.0
59.01381	3.1
59.03310	0.6
61.16917	0.3
69.03465	0.7
70.02990	1.5
70.53802	0.3
71.01392	5.1
71.05028	1.6
71.55448	0.4
71.99105	0.3
72.04556	2.5
72.05348	0.5
72.99325	1.5
73.02948	2.3
74.02480	12.2
78.52030	0.3
81.03447	0.7
83.01395	0.8
84.04553	6.5
85.02960	3.1
86.06142	1.3
86.94097	0.4
87.00887	1.0
88.04049	24.3
97.02937	0.6
98.02486	3.5
98.03309	0.6
98.06118	3.5
99.00913	0.7
99.04530	3.1
100.04073	1.7
101.02449	1.8
103.00389	1.0
107.01449	0.4
112.04047	1.5
113.02409	0.5
114.05621	12.0
115.04030	0.6
115.05944	0.5
116.03577	2.4
116.04288	0.6
116.05089	0.4
116.60887	0.4
117.05577	0.7
118.05120	16.8
127.64851	0.4
130.05118	5.5
131.03539	0.5
142.02271	0.4
142.05107	6.1
143.03554	0.6
158.04631	0.6
159.89418	1.3
160.06166	37.5
160.89272	1.2
161.02414	0.4
161.04601	3.3
161.05830	0.4
161.06551	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9989
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
55.01886	100.0
56.02241	1.0
59.01371	1.2
64.24281	1.0
65.00339	2.3
67.01898	7.3
68.02523	1.1
68.99814	1.3
69.03464	1.6
71.01401	14.2
71.56551	1.7
78.95923	3.8
81.03461	7.4
83.01397	63.4
83.05047	6.2
84.00900	1.1
84.04555	1.7
85.02968	2.1
87.00895	1.3
93.03473	4.8
95.01378	1.6
96.96010	3.1
96.96951	1.2
99.00912	2.1
109.02971	3.3
111.00890	16.9
111.01623	1.1
111.02039	2.6
111.03738	1.3
111.04531	26.3
112.01720	1.1
112.98831	1.1
113.02483	1.4
114.05610	3.2
118.96506	1.0
127.00404	18.3
127.04039	11.1
137.02470	4.4
138.05588	1.0
140.01190	3.4
153.03961	1.1
154.99893	67.4
155.03552	9.2
155.05455	1.7
156.00209	1.3
156.06689	4.4
174.96184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.108
Annotation	Nonane-4,6-dione
Peak:m/z	Relative Intensity
52.74399	1.2
55.01890	10.9
59.01387	1.3
65.00321	2.3
67.01887	4.8
68.99828	2.0
70.71244	3.5
71.01380	1.8
81.03461	1.2
83.01393	10.8
83.05003	2.6
85.02907	2.0
87.79772	1.3
89.62827	1.2
91.98124	1.2
93.03474	2.1
96.96008	1.1
105.72427	1.3
111.00900	7.7
111.04503	7.9
111.08182	1.6
114.05615	6.7
118.96529	1.3
119.07939	1.1
124.19827	1.2
127.00380	5.3
137.02483	3.4
137.09790	1.6
140.01176	3.6
154.99875	8.6
155.03581	2.7
155.07219	2.2
155.10799	100.0
156.06667	2.0
156.11118	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	157.0872
Annotation	Cleroindicin B
Peak:m/z	Relative Intensity
57.03471	1.3
59.01391	19.8
67.02397	1.0
67.05534	2.4
69.03462	3.0
69.96166	2.8
69.96552	2.8
71.01391	17.6
83.01393	1.2
83.05038	1.7
84.99331	2.1
85.02937	2.3
87.79327	1.4
89.18344	1.1
93.49376	1.2
97.06509	1.1
98.20011	2.1
99.00881	2.3
106.08800	1.5
109.06608	10.7
111.08173	5.5
113.06157	1.7
113.09740	2.7
121.06542	1.5
127.00385	11.1
127.07673	48.5
128.07980	2.0
139.07661	31.6
140.08023	1.6
157.01399	1.3
157.08720	100.0
157.12314	4.7
158.09038	4.3
166.85117	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	4-Nitroanisole
Peak:m/z	Relative Intensity
59.01367	0.2
62.17310	0.2
65.00340	0.3
66.03497	2.0
69.37272	0.9
69.37697	0.7
80.17696	0.2
80.96544	0.2
81.03482	0.8
83.01398	0.2
95.01430	0.3
96.99350	0.2
97.02918	0.3
98.19864	0.2
108.02203	2.0
108.04591	0.7
109.02968	10.6
110.00130	1.0
121.02948	1.1
122.03757	41.4
123.00904	0.6
123.04128	1.1
125.02431	0.5
137.02025	0.3
137.99564	1.2
148.92964	0.2
152.03551	100.0
153.01964	3.5
153.03879	2.7
153.05040	0.3
153.05626	0.3
170.10600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1287
Annotation	1,8-Cineole
Peak:m/z	Relative Intensity
53.00312	1.4
54.33197	0.8
55.01886	0.9
58.73765	0.8
65.00336	2.9
65.03951	1.1
66.03496	3.4
68.99827	1.4
69.03471	1.6
69.21107	8.5
71.01389	1.1
71.05027	1.5
76.43282	0.7
81.03471	4.8
82.03016	1.4
83.01412	1.3
83.05020	1.0
85.02946	1.0
95.05013	1.3
96.99303	1.0
97.02985	1.4
97.06598	17.6
98.02438	1.5
99.08166	6.2
101.25204	0.8
108.02185	12.2
109.02969	100.0
109.06604	3.0
110.00126	8.0
110.02551	1.2
110.03311	4.0
110.92637	0.9
111.04517	1.2
111.08152	1.0
123.00899	3.5
123.04554	6.8
124.01691	1.5
124.04049	3.3
125.02474	5.1
135.04536	1.8
136.04053	1.6
137.09799	2.1
137.99614	8.2
138.03221	1.1
145.84004	0.8
151.00388	2.0
151.11247	0.9
152.91803	1.7
152.93729	1.1
153.00705	1.7
153.01968	31.8
153.05591	3.8
153.09189	1.4
153.12869	55.4
153.86885	11.2
154.02443	1.8
154.05107	2.8
154.13187	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	149.0457
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
55.01878	10.8
57.03439	7.0
59.01385	100.0
69.03460	7.9
69.31638	10.5
69.32059	11.7
71.01389	42.7
72.99319	15.3
73.02959	55.5
75.00875	44.1
83.01399	5.0
85.02956	19.4
87.00890	13.4
89.02455	97.5
94.88235	2.7
101.02471	6.5
103.04010	11.4
119.38826	2.4
129.01970	4.3
131.03529	41.1
132.50319	2.7
149.04573	81.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0457
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
55.01881	2.0
57.03439	1.8
59.01385	36.2
69.03451	4.5
70.74364	2.8
70.74706	4.3
71.01386	34.1
72.99307	8.6
73.02951	32.8
75.00886	24.1
75.15957	1.8
77.19312	1.7
79.07484	1.8
81.79089	1.7
83.35497	1.8
85.02939	5.7
87.00889	9.9
89.02455	100.0
101.02436	2.7
103.04027	9.7
131.03500	12.6
147.90427	1.7
149.03360	2.9
149.04568	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0113
Annotation	2,4-dihydroxybenzoate
Peak:m/z	Relative Intensity
58.40392	0.4
59.00460	0.4
65.00338	0.7
66.03500	3.7
69.03449	1.0
69.47047	2.1
71.01401	0.4
79.01076	0.4
81.03450	2.0
85.02975	1.4
95.01398	1.7
96.96014	1.7
97.02982	1.1
98.20628	0.7
107.11296	0.4
108.02187	100.0
109.02984	33.5
110.00110	2.7
110.02543	0.5
122.03756	0.6
123.00895	1.8
123.04544	1.0
125.02459	1.5
135.04495	0.6
137.01993	1.6
137.99609	2.3
151.00421	0.4
152.01167	22.4
152.03473	3.3
152.07159	0.5
153.01967	11.9
153.05597	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0355
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
56.48291	0.2
63.28682	0.2
66.03489	1.0
68.15636	0.3
70.14925	0.2
70.86076	0.3
81.03434	0.3
108.02187	0.5
109.02970	4.4
110.00118	0.6
110.02514	0.2
121.02975	1.1
122.03756	40.0
123.04038	1.5
125.02477	0.4
137.02008	0.7
137.99606	0.7
152.03552	100.0
153.02026	1.2
153.03897	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	144.0457
Annotation	4-formyl Indole
Peak:m/z	Relative Intensity
65.99829	0.8
66.20712	0.3
69.28964	0.4
69.96321	1.0
69.96732	0.7
79.06932	0.3
102.03482	1.6
116.05100	0.8
126.40064	0.3
144.04573	100.0
145.04927	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	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	35.2
59.01386	7.1
71.01391	8.1
71.55788	2.1
72.99332	3.0
85.02961	77.8
86.03341	2.1
87.00888	100.0
97.35399	1.7
99.00938	2.2
101.02441	13.9
103.04042	16.2
112.34988	1.7
112.92834	1.6
124.76225	1.8
129.01956	37.8
140.63950	2.0
147.03011	33.3
150.58229	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	147.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	18.1
59.01383	19.9
71.01386	100.0
71.03461	14.5
71.05036	18.4
72.99327	53.6
81.52441	6.0
85.02972	20.4
85.47971	5.9
85.56689	5.9
87.00891	14.8
90.02065	5.9
99.88369	5.7
101.02475	8.4
101.06114	27.5
129.01971	17.9
147.06679	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	147.0301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	35.2
59.01386	7.1
71.01391	8.1
71.55788	2.1
72.99332	3.0
85.02961	77.8
86.03341	2.1
87.00888	100.0
97.35399	1.7
99.00938	2.2
101.02441	13.9
103.04042	16.2
112.34988	1.7
112.92834	1.6
124.76225	1.8
129.01956	37.8
140.63950	2.0
147.03011	33.3
150.58229	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	148.077
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
50.92627	2.6
59.01382	5.1
59.09052	2.8
65.03972	2.9
69.46120	22.1
71.01388	11.4
73.02962	6.4
87.00900	3.6
89.02460	19.7
93.03477	6.4
94.49714	2.8
94.99326	3.2
95.05048	3.8
98.19891	3.8
102.03501	7.8
104.05083	7.0
104.97695	3.1
118.03059	3.6
120.04614	3.5
121.02973	40.4
131.03557	4.1
131.57285	3.0
132.04605	13.8
134.03755	3.1
146.36264	2.5
148.03926	2.9
148.07697	100.0
149.02505	18.3
149.04599	6.8
149.06076	3.5
149.08044	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	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
51.73127	0.3
55.01876	0.5
59.92030	0.4
61.25912	0.3
63.64515	0.4
66.03497	0.4
67.01889	1.1
71.57594	0.5
74.25214	0.3
75.16186	0.3
83.01398	0.4
93.03477	0.5
94.03013	0.4
94.03809	1.6
95.01402	0.6
108.02188	74.7
109.02504	2.7
111.00874	2.9
123.03293	0.7
124.01756	0.3
125.13968	0.3
138.01987	100.0
139.00421	1.9
139.02332	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	138.0563
Annotation	5-(Methoxymethyl)-1H-pyrrole-2-carbaldehyde
Peak:m/z	Relative Intensity
51.89639	0.6
55.01880	1.8
55.21316	0.7
62.36891	0.7
66.19788	0.8
66.90037	0.7
67.01899	2.4
68.99808	1.2
69.24783	0.8
69.33453	6.1
72.17438	0.6
76.98730	0.9
83.01398	2.6
94.03026	1.7
94.03828	2.0
95.05045	1.6
98.80582	0.7
100.28250	0.7
108.02180	3.1
110.02457	1.1
111.00896	10.6
122.02493	2.5
123.03285	70.5
124.03603	2.6
136.04095	1.0
138.01967	3.8
138.05630	100.0
139.00406	5.3
139.05992	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	142.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	5.4
55.87183	1.4
56.74092	1.2
58.02982	16.9
60.62129	1.2
60.91093	1.2
61.38033	1.2
69.03455	1.5
69.64783	8.1
70.92821	1.2
71.01390	10.0
75.68053	1.2
81.03456	1.8
85.02979	2.2
87.00889	2.4
96.99303	3.2
98.06114	9.2
98.20681	3.0
99.04565	1.4
100.04058	100.0
101.04359	2.8
112.11420	1.3
112.98808	7.1
124.98811	9.1
125.02423	2.1
140.98309	2.8
142.05095	6.1
142.99887	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	142.9988
Annotation	3-Vinyl-4H-1,2-dithiin
Peak:m/z	Relative Intensity
53.00317	21.1
59.01379	5.5
61.42887	4.5
69.50523	24.4
71.01383	38.0
78.61615	4.4
80.99836	6.6
87.00874	6.7
87.91273	4.4
96.99342	22.3
112.98824	36.9
115.00425	4.7
124.98812	61.3
139.92699	3.8
140.98312	12.5
142.99872	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.9989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	21.1
59.01389	3.6
68.99809	5.1
71.01392	40.3
71.30861	4.5
80.99821	6.4
87.00883	8.6
91.25956	2.9
93.21712	3.3
96.99348	23.1
112.98832	33.7
115.00388	3.3
117.13218	4.6
124.98821	55.7
140.98312	13.1
142.99883	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0145
Annotation	D-(+)-Malic acid
Peak:m/z	Relative Intensity
50.34246	0.9
55.58635	0.8
59.01378	1.1
65.46213	0.8
70.09244	2.1
70.09638	1.8
71.01389	79.4
72.01746	1.5
72.99314	18.5
87.00882	1.5
89.02438	7.8
108.21179	0.9
109.65546	0.9
115.00387	100.0
116.00716	3.4
122.07996	0.9
126.09435	0.8
133.01440	21.5
134.01831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	3.2
65.20762	0.7
70.70477	2.1
71.01392	100.0
72.01731	2.9
72.99319	13.3
87.00887	26.6
87.04523	5.6
88.01262	0.9
89.02460	9.8
95.32295	0.6
115.00388	68.0
116.00749	2.2
133.01457	13.7
133.05086	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	133.0509
Annotation	1-Deoxy-D-xylulose
Peak:m/z	Relative Intensity
59.01396	3.2
65.20762	0.7
70.70477	2.1
71.01392	100.0
72.01731	2.9
72.99319	13.3
87.00887	26.6
87.04523	5.6
88.01262	0.9
89.02460	9.8
95.32295	0.6
115.00388	68.0
116.00749	2.2
133.01457	13.7
133.05086	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	135.0302
Annotation	Threonate
Peak:m/z	Relative Intensity
59.01111	0.8
59.01387	11.8
64.25412	0.5
65.78098	0.6
69.79449	2.3
71.01384	5.8
72.01723	0.6
72.99316	18.0
73.02948	0.8
75.00879	100.0
76.01208	1.6
78.54846	0.5
87.00883	13.6
89.02454	7.0
98.20642	0.8
99.00911	0.6
110.17444	0.5
117.01933	2.0
134.88454	0.6
134.89459	0.7
135.03008	28.5
136.03380	1.0
148.71964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01111	0.8
59.01387	11.8
64.25412	0.5
65.78098	0.6
69.79449	2.3
71.01384	5.8
72.01723	0.6
72.99316	18.0
73.02948	0.8
75.00879	100.0
76.01208	1.6
78.54846	0.5
87.00883	13.6
89.02454	7.0
98.20642	0.8
99.00911	0.6
110.17444	0.5
117.01933	2.0
134.88454	0.6
134.89459	0.7
135.03008	28.5
136.03380	1.0
148.71964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0199
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
58.25782	0.7
58.29667	0.6
59.37109	0.6
69.11359	0.7
70.33662	0.6
79.05718	0.6
89.93021	0.6
106.18774	0.7
107.89619	0.8
108.02187	76.7
109.02489	3.3
111.00905	1.4
138.01990	100.0
139.02325	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0196
Annotation	Itaconate
Peak:m/z	Relative Intensity
54.81073	4.3
55.01865	6.5
57.03462	33.5
58.02967	14.5
60.52244	4.2
67.01904	55.1
67.29988	4.0
69.80050	18.6
69.80448	9.9
71.01374	11.3
83.01357	4.3
85.02964	100.0
88.04061	86.5
89.38002	4.2
101.02444	14.8
104.76107	4.2
108.28954	4.0
110.12965	5.0
128.90170	16.4
129.01952	28.5
129.03891	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	130.0876
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
52.66050	1.1
55.21636	1.2
57.03446	1.5
62.87386	1.1
63.38306	1.2
66.50967	1.2
70.68105	2.8
70.83779	1.2
73.02967	3.7
85.02976	5.3
87.04505	2.9
88.04069	4.9
108.93757	1.2
130.08757	100.0
131.09111	3.8
137.42107	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0876
Annotation	L-Leucine
Peak:m/z	Relative Intensity
57.03447	4.1
59.01373	2.4
68.99821	2.1
69.84551	5.4
69.84955	1.8
69.85062	1.4
71.01390	5.9
73.02957	11.3
73.53275	1.4
85.02971	13.2
85.06612	8.9
87.04507	10.9
87.52865	1.5
88.04031	1.4
97.83768	1.3
101.02470	1.5
130.04115	1.6
130.08755	100.0
131.03526	4.6
131.07149	3.1
131.09100	4.5
144.38161	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0875
Annotation	beta-Alaninebetaine
Peak:m/z	Relative Intensity
50.87334	1.1
57.03454	8.9
58.02974	1.6
59.01376	4.4
68.99831	7.2
69.03471	2.0
71.01385	10.7
71.38431	1.2
72.99318	1.6
73.02955	14.7
85.02959	25.1
85.06600	6.0
86.03332	1.6
87.04525	16.7
88.04027	1.5
101.02457	3.2
113.02465	3.9
127.07863	1.3
130.04123	2.1
130.08755	100.0
131.03558	9.5
131.07162	1.7
131.09111	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73533	0.9
59.01375	2.6
63.28401	0.9
71.01389	91.5
71.22052	1.7
72.01740	1.9
72.84991	0.9
72.99315	21.9
87.00887	7.0
87.04500	1.6
89.02446	7.7
111.70243	1.0
115.00388	100.0
116.00715	3.0
133.01442	21.2
133.05063	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	133.0145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.4
61.20873	0.9
69.89480	1.0
71.01394	87.2
71.12783	2.4
72.01727	2.3
72.99321	22.0
89.02457	10.1
89.32673	0.9
115.00391	100.0
116.00740	3.6
133.01459	22.5
153.63687	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1197.6236
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01411	0.1
83.05045	0.1
85.02965	0.4
87.00918	0.1
89.02468	0.2
89.03978	0.5
93.03467	0.3
95.01432	0.1
96.96021	0.1
101.02457	0.4
109.06638	0.1
113.02457	0.5
117.03481	30.9
118.03800	0.7
119.05038	13.2
120.05374	0.3
121.02197	0.1
121.02971	0.8
123.00915	0.1
123.04549	0.2
125.02397	0.3
131.05069	0.1
132.05853	0.3
133.02977	0.1
133.06616	0.9
134.03720	0.1
135.04590	0.1
136.05307	0.4
138.06880	0.4
139.07648	0.2
145.02968	82.7
146.02243	0.2
146.03319	2.0
146.31570	0.1
147.04494	0.2
147.08215	0.1
149.06105	0.2
151.07649	0.4
151.81125	0.1
152.08449	0.8
153.09229	1.4
161.04688	0.1
161.06099	2.5
161.09734	0.4
162.03232	0.4
163.04025	19.7
163.11285	0.6
164.04337	0.5
169.01454	0.1
177.05592	0.8
179.10733	0.1
187.04021	0.3
190.10010	0.2
205.03299	0.2
205.05077	2.8
205.12349	2.1
206.05418	0.1
206.12691	0.1
215.07347	0.1
223.13542	0.2
235.06152	0.4
265.07236	1.0
285.04089	0.2
301.00043	0.6
307.08258	0.7
324.49335	0.1
379.13818	0.2
411.06308	0.1
466.02805	0.1
477.88559	0.1
503.33762	0.2
531.22382	100.0
532.22705	8.9
811.45618	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	121.0297
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
66.03499	1.3
69.61807	3.6
69.62245	4.4
70.41623	1.3
93.03461	6.9
94.02985	10.0
108.02174	2.9
121.02970	100.0
122.02475	7.6
122.03336	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	129.0197
Annotation	2-Methylmaleate
Peak:m/z	Relative Intensity
50.99500	2.7
55.01881	6.6
57.03450	19.6
58.02988	3.6
60.91811	3.2
64.19938	2.6
67.01905	38.2
68.99825	5.3
71.01388	3.0
71.55547	3.2
71.55941	3.6
72.99321	6.2
73.02959	5.7
77.92363	3.1
85.02963	100.0
86.03301	3.6
88.04056	33.8
101.02465	8.6
129.01953	19.4
144.65468	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	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
50.43161	2.0
59.01394	3.0
63.96932	1.9
64.39889	1.7
70.22491	2.2
70.74385	5.0
71.01392	100.0
77.65036	2.0
85.70133	2.1
87.00892	2.6
98.20055	2.5
114.93442	2.2
115.00363	6.9
116.07143	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	115.0039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54089	1.4
59.01382	3.0
62.82527	1.3
64.23251	1.4
69.67587	7.3
71.01389	100.0
71.05024	2.6
72.01764	2.0
72.99323	3.3
75.88934	1.5
85.24099	1.5
97.93150	1.7
114.93424	5.0
115.00381	2.3
116.07194	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	117.0196
Annotation	Succinic acid
Peak:m/z	Relative Intensity
51.31346	0.4
55.01865	0.7
55.99715	0.5
65.43899	0.4
70.10062	1.0
70.10452	0.9
73.02954	100.0
74.03281	2.3
99.00890	8.0
99.92608	1.3
112.57491	0.5
116.92894	4.1
117.01959	14.0
118.02287	0.8
139.65874	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1177.7787
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00901	0.1
94.47375	0.1
97.02964	0.3
98.19812	0.1
99.00876	0.1
101.02425	0.4
109.05901	0.1
109.06608	1.3
113.02469	0.3
135.08177	0.1
142.02872	0.1
150.55272	0.1
161.04558	0.2
163.11298	1.0
175.32175	0.1
181.12346	0.1
189.09244	0.6
207.10274	8.2
208.10556	0.2
209.11769	0.1
225.09233	0.2
225.11353	2.4
225.13560	0.1
235.08255	1.4
253.09320	1.9
277.21741	17.6
278.22046	0.8
299.15125	0.1
383.29510	0.2
393.31641	0.2
411.32855	0.3
423.32541	0.1
425.18179	0.2
441.33905	0.2
443.19254	1.0
455.35339	100.0
456.35672	9.4
461.20175	0.7
467.31659	0.1
513.30548	1.2
703.40668	1.1
704.41492	0.1
721.41742	11.7
722.42096	1.7
833.62537	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	1147.6948
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95741	0.2
89.03993	0.3
96.95387	0.3
96.96020	5.2
104.16799	0.1
110.87657	0.1
117.03481	23.8
118.03796	0.5
119.05040	4.3
121.02991	0.4
121.03797	0.1
123.04549	0.2
123.94663	0.1
145.02968	84.7
146.03314	2.2
147.04501	0.2
158.45265	0.1
162.03229	0.1
163.04037	3.3
166.96785	0.1
213.03616	0.1
214.66597	0.1
253.09099	0.2
264.70163	0.1
277.21756	1.3
300.99805	0.2
373.04187	0.6
393.31348	0.1
397.16779	1.4
409.27332	0.2
425.30597	0.3
437.30688	0.3
439.32047	0.2
455.31552	0.5
467.31693	0.4
469.33267	2.3
470.33658	0.3
487.34283	0.3
513.32336	0.6
571.38287	0.2
633.37976	100.0
634.38348	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	115.0039
Annotation	Maleic acid
Peak:m/z	Relative Intensity
51.16090	2.4
66.13161	2.1
69.81520	10.1
71.01392	100.0
71.01785	5.1
72.01746	2.3
115.00402	10.8
119.34853	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	1141.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
89.03999	0.2
95.01396	0.3
98.19875	0.2
103.20055	0.1
105.03477	0.2
109.02956	0.2
111.00942	0.2
117.03489	0.7
119.05035	0.5
121.02953	0.2
123.00912	0.4
125.02449	0.3
129.03470	0.6
129.04396	0.1
131.01376	0.2
131.05013	0.3
133.02969	1.0
133.18466	0.1
135.04521	0.3
137.02460	0.4
141.03413	0.2
145.01889	0.2
145.02974	3.0
147.00885	0.2
147.04529	1.3
149.02455	0.5
153.02039	0.1
157.02959	1.1
159.00862	0.2
159.04480	0.5
160.01648	0.1
161.02448	2.0
162.03102	0.1
163.00386	0.4
163.04027	1.1
163.15167	0.1
165.01947	0.2
171.00908	0.5
171.04517	0.2
172.01627	0.3
173.02455	3.1
174.03127	0.2
175.04034	1.0
176.01190	0.2
177.01953	0.7
177.05591	0.1
179.03552	0.2
185.02470	2.7
187.00345	0.4
187.03955	0.3
188.01085	0.1
189.01952	2.5
190.02695	0.9
191.03517	2.7
192.03796	0.1
199.00438	0.7
199.04004	0.2
200.01143	0.6
201.01936	3.7
202.02499	0.2
203.03528	2.0
205.01358	0.5
205.05095	0.2
209.00903	0.2
212.01355	0.1
213.01982	0.6
214.02725	0.2
214.99881	0.5
215.03481	0.3
216.00610	0.6
217.01436	4.1
218.02084	0.4
219.03047	1.3
219.50137	0.1
221.00931	0.4
225.01973	0.2
226.99841	1.1
227.03503	0.2
228.00610	0.6
229.01440	5.6
230.01978	0.3
231.03006	1.3
232.00104	0.2
233.00856	0.3
233.04585	0.2
235.02382	0.2
240.00623	0.1
241.01517	0.2
242.99402	1.0
243.02983	0.6
244.00069	0.7
245.00937	7.2
246.01491	0.6
247.02481	5.3
249.03944	0.7
254.99400	0.4
257.00952	2.9
258.01614	0.7
259.02341	0.6
259.99500	0.2
261.00369	0.9
263.01959	0.4
269.00952	0.2
270.98892	3.9
271.02148	0.3
271.99680	0.6
273.00430	9.4
274.01031	0.8
275.01999	6.4
275.05075	0.2
283.99661	2.7
285.00351	0.4
287.02078	0.4
288.99954	0.3
289.03458	0.2
291.01434	1.2
298.98380	5.3
299.01843	0.3
299.99094	4.8
300.99911	100.0
302.00250	4.2
312.99930	0.6
315.01443	0.6
316.99582	1.0
319.00943	0.3
331.00891	0.4
333.02451	0.2
340.99371	0.7
343.00964	0.2
359.00647	0.2
391.02795	0.2
393.04733	0.2
417.04898	0.3
419.02823	0.2
435.05655	1.2
451.05264	1.9
453.06775	1.3
461.03705	1.6
463.05225	0.2
479.04709	20.6
480.04959	1.3
497.05948	0.3
717.14185	0.2
737.06683	0.3
763.04053	0.2
781.05450	4.2
782.05792	0.4
799.06250	2.6
800.05945	0.2
1052.40405	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.7684
Annotation	Unknow
Peak:m/z	Relative Intensity
83.25114	0.1
112.47427	0.1
121.80940	0.1
130.92844	0.1
160.94473	0.1
171.10287	0.7
277.21756	0.5
300.99960	0.2
411.32642	0.2
455.35339	100.0
456.35684	8.4
462.33887	0.1
508.41489	0.1
607.43854	0.1
926.66339	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	1137.7468
Annotation	Unknow
Peak:m/z	Relative Intensity
83.57415	0.0
98.19847	0.1
114.25956	0.0
158.47829	0.0
300.99796	0.1
409.31372	0.1
421.31299	0.1
441.33600	0.1
485.32510	0.0
487.34302	100.0
488.34644	7.9
649.39288	0.2
650.40082	0.1
751.83325	0.0
1137.74561	1.6
1138.74512	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1137.7463
Annotation	Unknow
Peak:m/z	Relative Intensity
85.22345	0.0
220.70798	0.0
278.62790	0.0
325.06955	0.0
363.27203	0.1
377.28488	0.1
379.30191	0.3
391.30060	0.3
393.27365	0.0
393.31787	0.1
401.28714	0.0
405.28442	0.0
407.29648	0.1
409.31161	1.0
410.31482	0.1
421.31256	0.2
473.32700	0.1
474.33408	0.0
487.34296	100.0
488.34637	8.6
649.39355	0.2
650.39728	0.0
1137.74487	1.6
1138.74536	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1123.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
79.85516	0.2
89.03957	0.3
95.01366	0.3
117.03464	1.1
119.05029	0.5
123.00918	0.4
127.20037	0.3
129.03461	0.5
131.05042	0.3
131.68605	0.3
133.02968	1.0
135.04504	0.3
137.02390	0.3
137.26436	0.3
141.03450	0.3
145.02948	3.1
147.04558	1.3
149.02481	0.5
157.02953	1.2
159.04599	0.6
161.02504	2.1
162.03239	0.3
163.00397	0.6
163.03976	1.3
165.01891	0.3
171.00952	0.6
172.01694	0.6
173.02475	3.5
175.00337	0.2
175.04028	1.7
177.01956	0.5
185.02452	2.9
187.00407	0.4
187.03876	0.5
189.01952	2.8
190.02718	0.9
190.99959	0.2
191.03513	2.1
199.00356	0.7
199.03989	0.3
200.01151	0.4
201.01976	4.0
203.03535	2.1
205.01437	0.4
209.00966	0.3
213.01895	1.0
214.02730	0.3
214.99881	0.9
215.03360	0.4
216.00645	0.8
217.01413	4.4
218.02211	0.3
219.02994	1.1
226.99921	1.0
227.03642	0.3
228.00581	0.6
229.01422	6.9
229.03651	0.4
230.01944	0.3
231.03006	1.6
233.00964	0.3
241.01469	0.3
242.99455	1.2
243.02905	0.3
244.00085	1.3
245.00923	8.6
246.01527	0.7
247.02484	5.2
249.04062	0.9
254.99319	0.4
257.00998	3.7
258.01797	1.2
259.02423	1.0
261.00458	0.9
263.02029	0.3
270.98883	4.0
271.99338	0.6
273.00443	13.9
274.01004	0.9
275.01999	10.9
283.99698	2.7
285.00436	0.7
287.01984	0.6
289.00235	0.3
291.01495	0.9
297.00455	0.3
298.98370	7.6
299.01776	0.4
299.99118	5.2
300.99918	100.0
302.00281	3.8
312.99957	1.0
315.01636	0.6
316.99466	1.9
319.01086	0.8
333.02475	0.4
340.99417	2.0
343.00937	0.5
435.05719	1.2
451.05197	1.4
453.06958	1.2
461.03409	2.8
463.05194	0.4
479.04718	18.7
480.05063	0.8
621.79297	0.3
737.06403	0.9
745.03369	0.3
781.05383	5.6
781.19824	0.4
782.05646	0.3
799.06360	4.0
800.06342	0.4
820.33862	0.3
873.95422	0.3
875.76746	0.3
989.82562	0.3
1161.22009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1117.4881
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01914	0.6
85.02982	0.6
87.00944	0.3
89.02475	1.0
94.06664	0.6
95.01431	1.2
95.05030	0.7
96.96056	1.1
101.02479	0.9
105.05838	0.4
107.01391	3.1
107.01971	0.3
107.03809	1.4
108.04626	0.3
110.06136	2.0
111.00928	1.5
113.02517	0.5
120.08202	11.6
121.05371	0.8
122.06131	18.8
123.00902	6.9
123.01759	0.4
123.06475	0.6
124.01697	0.8
124.07682	0.3
125.02456	13.1
127.00385	0.4
134.06128	0.9
136.07735	0.9
136.98851	0.9
137.02423	0.4
137.04849	0.4
137.76593	0.4
139.00365	2.2
139.04076	0.4
140.01180	2.2
144.04538	2.1
146.06122	0.3
151.00388	4.6
151.04109	0.3
152.07167	0.5
160.04105	1.0
162.05632	1.0
164.07201	0.8
165.02002	0.5
166.99893	0.3
167.03589	0.9
168.00639	4.7
169.01439	21.7
172.04062	0.4
174.05649	1.9
188.03581	0.5
188.07176	0.4
200.07257	0.4
203.05911	2.2
204.06670	0.5
209.11029	0.3
211.02490	20.1
212.02904	0.7
215.11891	0.7
223.08817	1.2
224.09407	0.4
225.14047	0.7
228.12598	0.4
236.09595	1.3
237.10361	2.2
239.08533	0.3
239.11940	1.0
241.03551	1.1
241.13487	0.8
243.15047	0.6
248.09674	0.4
249.10309	1.7
249.13957	1.0
250.07495	0.8
250.11201	0.9
251.11916	9.3
251.14426	0.6
252.12587	0.9
253.09692	0.7
253.13451	0.4
262.07574	0.5
263.08292	2.2
263.11823	2.3
264.09082	2.3
264.12305	0.6
265.09839	1.1
265.13498	2.8
266.10602	0.5
268.08615	1.1
269.09442	0.4
271.04605	33.3
272.04984	1.0
275.08423	0.5
275.11966	0.5
276.09085	2.8
277.09821	12.4
278.10571	4.0
279.11316	2.1
280.12207	0.7
281.09351	1.4
282.10117	1.2
283.10901	1.5
285.04086	0.4
285.12415	0.7
287.14008	1.0
291.11404	13.0
292.12164	15.1
293.09430	0.7
293.12924	10.7
294.13449	0.9
295.10904	1.0
295.14175	0.4
296.11655	0.7
300.99765	1.6
301.11963	0.4
306.09991	0.5
309.12616	0.4
310.09622	0.3
312.11176	0.4
313.05783	0.7
313.12045	0.8
319.11008	0.6
323.10281	0.6
324.11066	2.7
325.11877	1.2
326.12781	0.7
330.12579	0.6
331.06790	3.6
332.14020	0.4
335.10379	6.8
336.11136	7.9
337.11902	3.0
343.13156	1.2
344.14084	0.9
346.15491	0.7
358.15524	0.9
359.16431	0.7
360.17087	2.2
370.19214	0.6
372.17172	4.2
373.17825	1.4
374.19016	1.6
384.13373	0.5
386.14966	1.1
390.18277	1.2
399.15875	0.7
400.16821	1.4
402.18408	2.1
403.18924	1.1
404.15988	0.8
405.17029	0.6
406.17596	1.1
414.18253	5.6
415.18985	2.8
418.17709	3.7
419.18112	0.7
432.19403	4.7
433.20261	0.9
436.18854	1.1
444.15820	0.3
447.17575	0.7
451.28308	0.3
458.17166	2.2
459.17892	3.8
460.18835	0.4
465.18994	0.7
476.18298	8.3
477.18954	5.1
478.19620	0.6
481.23260	0.4
483.24240	0.5
485.20313	79.9
486.20691	5.6
490.19821	1.3
495.24265	1.1
508.20905	24.3
509.21429	2.4
513.25085	0.8
537.25293	2.1
555.25958	4.1
556.26508	0.5
581.24231	2.8
599.25128	31.7
600.25555	3.2
601.26996	1.1
613.26599	3.1
631.27747	100.0
632.28027	10.1
746.88721	0.3
948.47699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1115.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
95.01413	0.3
107.05111	0.2
109.44077	0.2
116.33517	0.2
117.03513	0.4
118.60902	0.2
119.05068	0.3
123.00895	1.2
125.02473	2.1
133.02982	0.5
137.02458	0.2
145.02974	1.5
147.04544	0.7
149.02495	0.4
157.02985	0.7
159.04517	0.7
161.02464	0.7
163.04034	0.7
166.99832	0.4
169.01453	1.8
169.43417	0.2
173.02475	1.9
174.03099	0.3
175.04012	1.1
177.01942	0.8
185.02446	2.3
187.04048	0.5
189.02025	1.5
190.02672	0.5
191.03551	1.0
193.01602	0.2
201.01979	2.7
202.02629	0.3
203.03542	2.3
205.01373	0.3
207.02982	0.2
213.01968	0.6
214.02687	0.2
217.01416	1.8
218.02237	0.7
219.02969	0.8
221.04626	0.3
226.99918	0.5
228.00601	0.4
229.01428	6.1
229.04997	0.3
230.02104	0.5
231.02994	2.2
242.02191	0.3
243.03044	0.3
244.00069	0.3
245.00926	5.4
246.01439	0.4
247.02460	1.7
248.03217	0.5
249.04076	1.7
257.00958	4.4
257.03708	0.4
257.04764	0.2
258.01764	1.3
259.02512	0.6
267.02924	0.2
273.00443	5.8
273.03763	0.4
274.01239	2.7
275.02011	13.1
276.02371	0.6
283.96680	0.3
283.99628	2.3
285.00180	0.3
285.04111	0.5
286.01147	0.3
287.02094	1.0
288.02667	0.4
290.00995	0.4
291.01526	0.7
297.03851	0.3
299.99149	3.8
300.99924	88.1
302.00250	4.1
303.00562	0.2
313.00003	0.2
314.00638	0.5
329.03128	1.1
341.02747	0.3
347.03824	0.3
354.83707	0.2
401.04971	0.4
419.06244	0.7
463.05252	3.2
464.05737	1.0
465.05981	0.4
633.07373	100.0
634.07678	8.9
711.26184	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	46.7
55.53458	3.1
56.92148	3.3
60.77785	3.5
67.01898	31.3
69.84184	4.0
71.00959	9.3
71.01381	11.4
78.95917	38.7
83.01399	100.0
84.01756	5.7
110.97639	5.2
111.00891	88.6
112.01292	3.7
120.39023	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	111.009
Annotation	2-Furoate
Peak:m/z	Relative Intensity
55.01878	9.1
62.02449	2.4
63.20200	2.6
66.08286	2.2
67.01898	79.0
68.02232	4.0
69.82224	11.4
71.36308	2.1
72.08315	2.1
78.95914	64.4
83.01398	21.6
92.71039	2.0
93.30313	2.0
98.19975	3.7
103.81990	2.2
105.75623	2.6
107.59618	2.1
110.97588	7.5
111.00891	100.0
112.01234	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	1111.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
80.64320	0.5
81.03458	0.8
87.00874	0.6
89.03979	0.9
92.99812	1.1
93.03494	0.9
95.01393	8.4
97.02955	1.4
105.03481	0.9
107.01410	4.5
109.02959	1.3
111.00887	1.6
113.02445	0.9
117.03462	2.3
119.05037	1.6
121.02965	1.2
123.00906	8.8
124.01685	0.9
125.02462	36.0
129.03506	0.7
131.05070	1.4
133.03004	2.6
135.00887	0.8
135.04523	1.1
136.98857	0.7
137.02464	2.6
139.00380	2.1
139.04022	0.6
140.01135	1.2
141.01938	0.6
145.02988	7.8
147.04579	2.8
149.02438	0.8
151.00380	2.2
153.01976	0.6
157.02946	2.0
158.03770	0.6
159.04526	2.0
160.01610	0.8
161.02469	5.8
163.00383	2.9
163.04027	3.1
164.98314	3.0
165.01941	1.8
166.99892	2.9
168.00626	3.7
169.01445	47.3
170.01712	0.8
171.00844	1.2
171.04446	0.7
173.02451	7.3
174.03116	0.6
175.02699	0.5
175.03986	2.8
177.01874	2.9
179.03552	0.8
182.77330	0.6
185.02507	5.2
187.00433	0.8
187.04010	1.6
189.01927	6.4
190.02722	1.9
190.99887	1.0
191.03491	5.5
193.01457	3.2
198.03351	0.5
199.00398	1.0
199.03906	0.6
200.01100	1.6
201.01979	7.9
201.33386	0.5
202.02554	1.0
203.00026	0.6
203.03535	6.0
205.01474	1.9
205.05032	0.8
208.00017	0.6
209.00952	1.8
211.02417	3.6
213.01923	3.2
214.02795	1.1
214.99925	0.9
215.03461	1.7
216.00661	2.2
217.01453	10.0
218.02126	1.5
219.02974	2.7
221.01012	0.6
221.04564	1.5
226.99896	2.7
227.03470	1.1
228.00702	1.4
229.01437	17.7
230.02042	1.9
231.03018	5.5
233.00859	0.6
233.04636	0.8
235.02469	0.9
237.00340	0.6
240.00632	0.6
241.01401	0.8
242.99393	1.9
243.03156	1.2
244.00085	2.1
245.00937	20.8
246.01549	1.0
247.02460	5.6
248.03136	0.9
249.04044	3.1
254.99316	0.9
255.02948	1.2
257.00946	14.6
258.01642	4.7
259.02444	2.2
259.99887	0.7
261.00369	2.7
265.05130	1.1
266.02316	0.6
267.03024	1.1
269.00781	0.8
270.98859	3.5
271.02084	1.0
271.04782	1.1
271.99692	1.1
273.00443	30.8
274.01144	7.2
275.01999	49.9
276.02304	1.7
279.02725	0.6
282.01666	0.6
282.99203	0.6
283.02606	0.9
283.99646	4.0
285.00436	3.6
285.03723	1.0
287.02036	1.7
288.99866	1.4
291.01550	1.6
295.04666	3.3
297.03873	0.7
298.01401	0.7
298.98416	5.9
299.01855	1.2
299.95895	1.2
299.99133	15.4
300.99924	100.0
302.00342	4.8
311.01981	1.3
312.02719	0.6
313.00037	2.6
313.05746	6.6
315.01572	2.2
316.99442	10.2
317.02829	0.7
319.00977	1.9
327.01459	1.6
328.99454	0.6
329.03061	0.9
331.00659	0.7
341.03119	0.9
343.01065	2.7
383.04001	0.9
401.05197	1.5
445.04047	0.9
447.05847	0.9
449.07077	0.7
463.05261	1.0
465.06818	8.7
483.08060	0.7
553.06189	1.0
571.07294	0.8
597.05499	1.4
615.06372	1.3
617.07880	28.8
618.08301	2.2
633.07684	1.6
635.08929	16.3
635.19440	0.8
636.08801	0.6
723.08337	1.0
749.06427	2.0
765.06189	0.6
767.07452	20.1
768.07800	1.6
809.09021	1.2
827.09515	1.2
855.09918	1.5
891.09088	2.0
893.10211	3.0
907.08716	1.1
917.07080	10.0
918.07196	1.4
935.08105	36.3
936.08398	4.1
937.09564	43.8
938.10059	5.0
947.28235	0.6
949.08972	0.8
975.07684	6.4
976.07904	1.0
1049.08813	0.9
1051.09705	2.6
1075.09937	0.7
1093.10217	1.8
1094.08972	0.7
1111.11072	11.5
1112.11938	1.5
1144.31982	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.7363
Annotation	Unknow
Peak:m/z	Relative Intensity
80.22626	0.2
89.04002	0.4
91.13972	0.2
116.02686	0.2
117.03478	24.7
118.03788	0.4
119.05043	3.3
121.02998	0.2
134.85158	0.2
145.02966	85.0
146.03305	2.1
163.04039	2.8
192.63133	0.2
199.58708	0.2
353.28528	0.2
391.30127	0.4
405.31589	0.3
407.33069	0.9
409.27292	0.2
423.29221	0.2
437.30850	0.2
439.32352	0.4
451.32019	0.8
453.33801	2.5
454.33978	0.2
455.31714	0.8
463.59033	0.2
467.31775	0.5
469.33389	1.6
470.33609	0.8
471.34879	10.6
472.35150	0.7
487.34634	0.3
511.82956	0.2
513.32440	0.9
591.19977	0.2
633.37976	100.0
634.38293	11.4
635.38483	0.7
859.31189	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	8.1
60.88131	1.2
67.01899	29.3
68.02216	1.7
70.40202	4.8
71.01391	1.7
73.76896	1.2
75.40285	1.3
78.95914	100.0
79.95731	2.4
83.01389	22.0
84.35934	1.2
86.81960	1.1
91.52812	1.1
110.97576	5.4
110.98492	1.1
111.00163	2.7
111.00896	40.6
112.01153	1.5
120.28977	1.4
129.94685	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1097.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
84.38497	0.2
85.02955	0.3
95.01392	0.6
117.03494	0.3
121.02919	0.3
123.00896	1.3
125.02464	1.6
129.03426	0.2
129.40584	0.2
133.03033	0.5
135.04488	0.3
145.02969	1.0
147.04567	0.5
157.02934	0.7
159.04510	0.7
161.02428	0.3
161.08821	0.3
163.04027	0.7
169.01448	2.1
173.02443	1.9
175.04010	1.0
177.01944	0.3
183.96628	0.3
185.02428	2.6
187.04012	0.4
189.01930	1.3
190.02669	0.7
191.03491	0.8
201.01955	2.5
202.02563	0.3
203.03531	2.1
204.06685	0.6
205.01364	0.3
213.01952	0.8
216.00636	0.3
217.01469	1.6
218.02278	0.4
219.03136	0.3
222.02048	0.3
226.99919	0.7
228.00606	0.3
229.01422	4.9
229.04985	0.3
230.01918	0.5
231.03024	2.4
244.00121	0.3
245.00911	5.4
246.01355	0.4
247.02484	1.3
248.03149	0.3
249.03938	1.7
255.03212	0.3
257.00912	4.2
258.01593	1.3
259.02408	0.6
271.99658	0.3
273.00424	6.1
273.03574	0.3
274.01166	2.2
275.02011	12.9
276.02197	0.4
283.99606	2.1
284.02454	1.1
285.04083	0.4
287.01892	0.7
290.00732	0.3
291.01361	0.7
299.99136	5.4
300.99918	83.4
302.00253	3.3
314.00699	0.5
329.03116	1.3
341.02930	0.4
419.06177	0.5
463.05270	5.2
464.05740	0.4
633.07367	100.0
634.07684	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1091.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
87.31335	0.1
89.04016	0.2
91.05544	0.2
93.03464	0.3
95.01409	0.3
101.03972	0.4
103.05566	0.4
105.03485	1.8
111.00886	0.2
115.05531	0.3
117.03471	0.8
119.01382	0.2
119.05060	1.7
121.02972	0.4
121.06539	0.2
123.00909	0.2
125.02467	0.4
127.33311	0.2
129.03468	0.7
130.04228	0.2
131.05070	0.9
132.02122	0.4
133.02965	1.0
135.04601	0.3
137.02455	0.3
143.01416	0.2
145.02963	2.5
146.03734	0.2
147.04539	4.4
149.02449	0.5
157.02971	1.0
158.03778	0.9
159.00877	0.2
159.04521	1.9
160.01689	0.3
161.02467	1.9
163.00351	0.3
163.04028	1.4
165.01869	0.2
169.01582	0.2
171.00932	0.3
172.01653	0.4
173.02444	3.3
174.03178	0.5
175.04018	17.1
176.04346	0.3
177.01944	0.5
177.05583	1.0
177.06885	0.2
185.02478	2.6
187.00388	0.5
187.04033	0.2
188.01109	0.3
189.01959	2.5
190.02704	0.6
190.99933	0.2
191.03499	2.7
194.05159	0.2
199.00386	0.5
200.01166	0.3
201.01958	3.2
202.02655	0.4
203.03517	12.1
204.03903	0.3
205.01411	0.4
209.00908	0.2
213.01961	0.8
214.99876	0.6
215.03514	0.4
216.00751	0.8
217.01447	3.6
218.02213	0.5
219.02985	1.5
221.00977	0.2
221.04477	1.4
225.02048	0.2
226.99867	1.1
228.00623	0.6
229.01442	5.6
230.01933	0.4
231.03067	1.0
233.00887	0.2
233.04591	0.2
235.02380	0.4
240.00749	0.2
240.04008	0.2
241.01338	0.2
242.99432	1.2
243.02979	0.6
244.00162	0.7
245.00922	7.1
246.01428	0.5
247.02495	13.6
248.02780	0.4
249.04001	0.7
254.99318	0.4
257.00955	3.0
258.01697	0.8
259.02499	0.9
259.99582	0.2
261.00381	0.8
261.03961	0.2
263.01935	0.4
270.98926	3.1
271.02429	0.5
271.99554	0.6
273.00433	10.4
274.00894	0.7
275.02002	7.1
283.99741	2.1
285.00296	0.5
287.01971	0.3
289.00208	0.4
289.03345	0.2
291.01505	13.7
292.01895	0.5
298.98383	6.1
299.01584	0.2
299.99139	4.8
300.99915	100.0
302.00238	4.2
302.03641	0.2
303.01361	0.2
312.99899	0.4
315.01489	0.7
316.99368	1.1
319.00967	0.5
331.01105	0.4
333.02542	0.4
340.99533	1.1
343.00885	0.3
359.00546	0.4
384.16031	0.2
393.04669	0.2
417.04703	0.3
419.01962	0.2
435.05682	1.5
451.05215	1.9
453.06714	1.5
461.03650	2.0
462.03873	0.2
463.05313	0.5
479.04721	21.1
480.05029	1.1
497.05701	0.4
575.97437	0.2
581.61414	0.2
737.06482	0.4
745.02466	0.3
763.04181	0.3
781.05444	4.4
782.06610	0.2
799.06555	2.9
800.06647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1089.106
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01891	0.5
79.59684	0.3
81.03492	0.5
83.01414	0.4
85.02969	0.7
87.55285	0.3
90.42680	0.3
94.54446	0.3
95.01391	2.3
97.02959	1.2
98.20696	0.7
107.01398	4.2
109.02951	0.6
111.00884	1.6
113.02501	0.6
123.00906	7.7
124.01704	1.0
125.02464	44.5
126.02808	0.9
135.04527	0.5
136.34126	0.3
136.98816	0.9
137.02452	0.6
139.00386	2.8
140.01149	1.8
141.01950	0.4
143.03503	0.8
147.04602	0.4
151.00372	2.5
153.01933	0.6
161.02489	0.5
165.02028	0.5
165.05507	0.4
166.99879	2.9
167.03499	0.5
168.00641	4.0
169.01443	61.8
170.01796	1.2
173.02454	0.4
175.04022	0.6
177.01973	0.9
179.03505	0.9
181.01431	0.4
189.02000	0.4
190.02776	0.4
191.03590	1.0
193.01411	3.0
196.17639	0.3
205.01437	1.2
205.05150	0.7
207.02994	0.8
211.02472	2.2
221.04500	0.6
223.02507	0.8
233.04546	0.7
235.02504	0.6
237.04047	0.5
241.03745	0.6
247.02428	0.4
249.04016	0.6
275.02069	0.6
277.03595	1.0
279.65375	0.4
295.04593	3.0
297.06168	3.1
300.99908	3.6
313.05701	7.6
314.05908	0.3
410.99503	0.3
447.05563	1.0
448.06561	0.4
449.07239	2.9
465.06744	7.5
535.83539	0.3
537.28760	0.4
617.07892	100.0
618.08276	6.9
635.08984	0.4
787.10040	17.7
788.11078	1.8
971.48169	0.4
976.84827	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1085.1343
Annotation	Unknow
Peak:m/z	Relative Intensity
83.03199	0.4
86.22367	0.4
86.23775	0.4
117.03444	0.8
123.00900	0.5
127.90226	0.5
133.02969	0.8
134.03793	0.6
138.39525	0.4
145.02951	2.5
147.04509	1.2
155.62167	0.5
157.02953	0.7
159.04478	0.5
161.02426	1.4
162.03232	0.7
163.00349	0.5
163.04015	1.0
173.02467	3.8
175.04015	1.0
177.01964	0.9
185.02470	2.4
187.00374	0.6
189.01888	2.8
190.02689	0.8
191.03516	1.9
200.01158	0.5
201.01930	4.2
203.03574	2.5
213.01942	0.6
214.99973	1.0
215.03635	0.5
216.00623	0.6
217.01382	3.8
219.02980	1.4
226.99892	1.1
229.01465	6.1
231.03043	1.3
242.99225	0.8
244.00107	0.9
245.00926	7.6
246.01717	0.5
247.02469	5.3
249.03926	0.7
257.00931	3.9
258.01712	1.5
259.02484	0.6
261.00632	0.9
264.98062	0.5
270.98911	4.3
271.01898	0.6
271.99380	0.6
273.00430	11.9
274.00793	0.7
275.02005	8.8
276.02231	0.5
282.98907	1.4
283.02783	0.4
283.99551	2.6
284.98685	0.9
287.01944	0.6
288.99805	0.6
291.01480	1.6
298.98364	6.9
299.99121	6.0
300.99908	100.0
302.00229	4.7
313.00320	0.6
315.01401	0.6
316.99463	0.7
319.01077	0.6
340.99472	1.1
435.05582	1.1
451.05365	1.6
453.06781	1.7
461.03745	2.2
479.04688	20.4
480.05185	1.3
548.53833	0.5
781.05634	4.0
799.07056	2.8
857.19159	0.5
893.92792	0.5
1082.95215	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.0614
Annotation	Unknow
Peak:m/z	Relative Intensity
82.48360	1.0
84.55568	1.1
95.01383	1.9
98.86517	1.2
102.38429	1.0
111.70554	1.0
117.03461	1.8
125.02450	2.5
131.05025	1.2
133.02919	1.2
142.65004	1.0
145.02963	6.8
147.04553	2.7
161.02464	2.5
163.04019	2.3
173.02441	5.8
175.04054	2.7
177.01933	1.9
178.21875	1.1
185.02473	3.5
187.00359	3.6
189.01959	4.9
191.03426	2.0
201.01967	9.0
203.03543	3.6
213.01958	2.1
214.99815	6.3
217.01376	6.8
226.99837	1.8
228.00627	2.6
229.01454	13.9
230.02029	1.5
231.02997	3.3
242.99362	14.2
243.99951	2.6
245.00955	19.5
246.01321	1.5
247.02524	2.3
249.04048	3.2
257.00986	11.5
258.01556	3.3
270.98868	66.8
271.99240	3.4
273.00430	29.6
274.01068	4.2
275.02008	19.3
277.40640	1.3
282.98984	1.5
283.99573	4.7
285.00394	1.3
298.98380	54.8
299.99112	33.5
300.02570	1.5
300.99911	100.0
302.00232	5.0
312.99887	3.7
322.01254	1.2
324.99872	1.8
336.99951	2.3
339.02029	1.2
339.98532	1.5
340.99319	3.1
373.03445	2.7
379.00912	1.6
392.98901	8.6
393.99243	1.3
395.00357	2.2
401.03049	1.4
404.98761	1.8
407.00348	3.4
425.01300	1.2
429.02423	1.4
450.99506	4.4
457.02219	2.3
473.01611	1.5
485.01428	3.2
501.00989	2.6
529.00629	3.2
531.02069	1.6
549.03320	3.3
557.00073	4.8
575.01044	13.4
582.98096	2.2
600.98999	39.8
601.99231	2.6
701.04688	1.4
719.04919	3.2
721.03308	4.7
745.02698	2.5
763.04456	4.0
781.05316	38.2
782.05560	2.9
1006.83002	1.3
1065.04480	1.3
1083.06067	74.9
1084.06384	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	108.0214
Annotation	2-Oxylatophenol
Peak:m/z	Relative Intensity
50.92497	4.5
52.58051	4.1
54.83098	4.0
55.77897	4.1
64.88206	5.0
67.03002	8.0
69.48708	32.6
71.79160	4.3
75.31420	4.2
81.03453	5.2
108.02187	100.0
108.04534	11.9
109.02984	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1083.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
89.57283	0.6
95.01411	0.9
101.64684	0.7
117.03484	2.0
121.02963	1.1
123.00906	1.6
125.02480	1.8
129.03488	1.3
133.03018	1.5
140.98599	0.6
145.02965	6.1
147.00925	1.3
147.04488	1.8
157.02925	1.6
159.04492	1.2
160.01648	0.8
161.02448	2.5
162.55450	0.6
163.04050	0.9
169.01392	0.7
171.00879	0.7
172.01717	0.9
173.02463	8.7
175.00403	0.7
175.04022	2.4
177.01950	2.4
185.02473	5.4
187.00403	2.3
188.01147	1.1
189.01942	5.5
190.02745	1.1
191.03490	2.0
199.00470	1.2
200.01161	1.3
201.01970	8.2
203.03555	5.6
213.02017	2.7
214.99883	4.7
216.00642	2.6
217.01425	7.8
218.01907	0.9
219.03011	1.0
226.99864	1.7
228.00789	1.5
229.01457	14.4
230.02080	0.7
231.02942	4.0
242.99368	14.6
244.00113	2.9
245.00922	22.8
247.02390	1.4
249.04106	3.9
254.99507	0.9
257.00934	10.4
258.01678	3.2
261.00470	0.8
267.02933	0.7
270.98865	60.1
271.99384	2.3
273.00439	27.1
274.01144	3.8
275.01981	23.8
276.02341	1.0
283.99649	4.9
285.00409	1.2
298.01022	0.9
298.98370	48.9
299.99121	37.2
300.99921	100.0
302.00186	4.3
309.00485	0.8
312.99896	3.3
314.00604	1.0
317.04767	1.2
321.00394	1.2
322.01154	1.2
323.02060	1.1
324.99844	1.3
329.04422	0.9
335.02081	0.9
336.99915	3.2
338.00607	2.0
339.01401	0.8
339.98563	1.7
340.99313	3.0
349.00241	0.8
351.01276	1.1
364.99326	1.8
366.00122	0.8
367.00891	1.7
373.03726	1.2
379.00897	1.2
392.98929	9.2
401.03049	2.0
404.98895	0.9
407.00470	2.8
412.02008	0.9
420.98486	0.9
421.98981	1.6
422.99930	1.3
424.00848	1.5
425.01721	1.7
427.01035	1.6
429.02371	1.7
445.02121	1.6
450.99365	2.9
455.00677	1.1
457.02127	2.1
473.01456	2.0
485.01596	2.8
501.01138	3.4
510.99203	1.5
529.00494	2.4
531.02167	1.9
544.99847	1.2
549.03339	3.5
556.99933	5.0
575.01129	10.3
582.97900	1.9
593.02289	1.4
600.99042	36.1
601.99414	2.8
609.78552	0.8
633.07709	1.6
701.04510	1.0
719.05432	3.5
721.03571	3.8
745.02698	3.1
763.04108	3.6
781.05353	41.2
782.06036	4.1
935.08789	1.2
1083.06042	81.3
1084.06274	12.1
1096.38745	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1071.4435
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01899	0.8
83.01394	0.3
85.02522	0.1
85.02955	0.8
87.00880	0.2
87.79253	0.1
89.02451	0.2
95.01393	1.2
96.96046	0.2
97.02952	0.4
99.00848	0.2
101.02459	1.0
107.01406	2.2
109.02974	0.2
110.00085	0.2
111.00896	1.2
113.02446	0.5
117.03510	0.2
121.08214	0.1
123.00906	8.2
124.01738	0.3
124.98878	0.1
125.02463	8.8
127.00377	0.4
132.02170	0.1
133.02985	2.8
134.03738	0.2
135.04533	1.0
136.98830	0.8
137.02414	0.3
137.09650	0.1
139.00372	2.7
140.01198	1.9
141.01970	0.9
143.14897	0.1
147.04675	0.1
151.00381	5.9
151.01591	0.3
151.04024	0.2
152.00777	0.2
153.01944	0.4
160.04016	0.2
161.02464	8.0
162.02832	0.2
163.03998	0.4
168.00662	1.8
169.01447	12.8
170.01791	0.3
177.03990	0.2
179.03490	0.8
179.04785	0.1
181.05115	0.4
193.05110	0.1
195.03024	0.1
209.15587	0.3
211.02513	0.9
212.02785	0.1
253.03632	0.3
271.04608	0.9
272.05124	0.2
285.03952	0.2
299.99130	0.1
300.99838	0.3
313.05637	1.1
521.20605	0.3
522.20508	0.3
523.21887	100.0
524.22235	6.9
525.22797	0.3
547.21899	9.3
548.22717	0.9
1073.79321	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	105.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	24.7
69.39336	8.9
72.99319	92.7
73.99663	1.0
75.00883	28.9
79.40243	1.1
105.01950	100.0
106.02312	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	105.0195
Annotation	DL-Glyceric acid
Peak:m/z	Relative Intensity
55.69959	0.7
59.01387	28.3
59.01691	1.4
59.99419	0.7
69.79044	2.9
72.99316	82.1
73.99645	1.2
75.00880	25.0
84.81888	0.6
95.53925	0.8
98.19972	1.2
103.00376	1.6
105.01945	100.0
106.02295	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	1063.0601
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95744	7.7
88.03091	0.3
89.03986	0.4
95.01379	0.8
96.96021	59.6
104.30994	0.3
106.59471	0.3
111.00894	0.4
117.03460	1.2
119.05025	0.5
122.57005	0.3
123.00880	1.9
125.02474	1.7
129.03522	0.5
131.01357	0.3
133.02956	1.1
135.04523	0.3
137.02524	0.3
145.02950	3.6
147.04495	0.8
149.02505	0.4
151.00429	0.4
157.02954	0.6
159.04562	0.5
160.01634	0.5
161.02448	2.7
163.00415	0.4
163.04025	1.3
166.99879	1.0
169.01416	2.3
171.00919	0.4
172.01637	0.4
173.02422	3.3
175.03986	1.1
177.01965	1.1
178.99873	1.0
185.02444	2.5
187.00401	0.5
189.01938	3.7
190.02689	1.8
191.03502	2.1
193.01457	0.5
199.00471	0.5
200.01102	0.9
201.01949	4.6
203.03520	2.2
205.01469	0.6
207.03079	0.4
213.01935	0.6
214.99850	1.0
215.03357	0.3
216.00618	1.0
217.01436	5.9
218.02057	0.7
219.02940	0.9
221.04579	0.4
226.99904	1.2
228.00676	0.5
229.01424	6.9
229.84808	0.3
230.02165	0.7
231.03023	2.0
239.03828	0.3
242.01852	0.3
242.99330	1.5
244.00130	1.3
245.00923	10.6
246.01663	0.9
247.02502	2.2
248.03287	0.4
249.03999	2.4
254.99086	0.4
257.00949	4.3
258.01602	0.7
259.02579	0.5
261.00458	0.9
261.04050	0.6
270.98856	4.3
271.99570	1.1
272.97476	0.7
273.00418	11.1
274.01126	1.1
275.02008	8.8
276.02646	0.4
283.99643	2.7
290.00644	0.4
291.01636	0.5
298.98383	4.4
299.99112	6.2
300.99915	100.0
302.00247	4.0
303.01471	0.5
305.03024	1.2
312.99982	0.4
315.01520	0.3
316.99368	1.0
331.01016	0.6
339.73209	0.3
343.01044	0.7
349.02069	1.1
445.04364	2.0
461.03458	0.5
463.05255	2.5
464.44479	0.3
613.04956	1.2
615.06030	0.3
631.05969	1.3
663.09552	0.3
765.05347	0.4
915.05243	1.0
933.06415	15.4
934.07159	1.6
965.09076	33.5
966.09149	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	1049.0437
Annotation	Unknow
Peak:m/z	Relative Intensity
79.95739	7.9
92.01073	0.3
95.01390	1.1
96.96019	84.9
97.88544	0.3
105.11881	0.3
117.03461	1.6
119.05083	0.8
123.00903	2.0
125.02445	1.4
126.99222	0.4
128.77589	0.4
129.03474	0.4
133.02956	1.2
135.04597	0.4
136.24065	0.4
145.02963	3.0
147.00870	0.5
147.04538	1.5
149.02521	0.7
149.83650	0.4
157.02995	1.3
159.04527	0.9
161.02451	3.0
163.00481	0.4
163.04018	1.9
165.01994	0.4
166.99930	0.9
169.01434	1.3
171.00865	0.5
173.02425	3.3
174.03166	0.9
175.04030	1.8
177.01912	0.7
179.03465	0.5
184.01529	0.3
185.02478	3.5
189.01950	4.1
190.02640	1.3
191.03506	3.3
194.59586	0.4
199.00372	0.8
200.01093	0.8
201.01917	4.8
202.02649	0.4
203.03497	2.4
205.01424	1.0
213.01895	0.8
213.18024	0.4
214.99902	0.8
215.03387	0.4
216.00598	0.8
217.01421	6.1
218.02197	0.5
219.03029	1.5
226.99855	1.2
228.00627	0.8
229.01431	6.6
230.02069	0.5
231.03078	2.2
233.00784	0.5
242.99399	1.7
243.99998	0.9
245.00923	11.6
246.01485	0.5
247.02502	6.9
249.04146	2.2
254.99396	0.8
255.03032	0.4
257.00952	4.8
258.01697	0.9
259.02487	0.6
261.00378	1.1
270.98862	7.3
271.01794	0.7
271.99631	0.7
273.00439	16.6
274.01117	1.1
275.01993	9.7
283.06445	0.4
283.99692	2.6
291.01465	1.4
298.98340	7.9
299.99130	8.1
300.99905	100.0
302.00223	3.2
315.01569	0.6
316.99365	1.7
343.00812	0.6
417.04330	0.4
445.04291	2.6
461.03369	0.8
463.05264	2.9
613.04633	1.0
631.05542	0.9
765.05792	1.6
897.05029	0.8
907.08154	1.1
915.05670	2.3
933.06458	33.0
934.06396	3.5
951.07452	22.8
952.08032	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	1045.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
79.21281	1.3
96.96037	2.0
98.19870	3.3
107.03775	4.8
120.08213	9.3
122.06139	40.0
132.04591	2.0
134.06123	3.2
139.02750	1.9
152.07191	47.4
161.02637	1.7
190.05162	3.6
211.12515	1.4
223.08807	4.6
237.10309	6.5
239.11867	3.5
245.12975	2.6
251.11922	4.7
263.08221	3.5
263.11972	2.2
264.09039	7.2
265.09793	4.5
265.42212	1.7
266.10394	1.7
277.09869	1.9
278.10623	2.5
279.11386	22.6
280.11984	1.9
291.11392	6.2
295.11047	3.3
300.99985	2.4
323.10428	5.3
324.11212	2.3
325.11942	2.2
402.05939	3.5
402.18311	8.0
411.08481	1.5
416.20016	2.3
439.35895	1.4
444.19211	7.4
448.18518	4.2
461.19446	2.8
488.18506	10.8
489.18997	7.8
520.20972	30.4
521.21307	3.8
567.26282	13.7
605.22296	1.6
611.25122	67.9
612.25500	6.7
643.27795	100.0
644.27991	10.7
763.76282	1.7
770.22314	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	1031.684
Annotation	Unknow
Peak:m/z	Relative Intensity
76.51525	2.5
78.95914	5.4
79.95744	5.6
86.52977	3.1
96.96024	80.8
96.96954	4.0
98.97993	2.4
107.56973	2.4
168.02087	2.5
203.03435	2.8
298.43661	2.9
300.99902	4.6
485.32767	58.3
486.32620	4.0
487.34238	6.2
545.34985	100.0
546.35217	7.4
625.37219	2.9
730.16064	2.9
1031.45276	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	1037.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
79.01896	1.3
81.03476	0.9
85.02962	0.8
95.01397	11.9
105.03424	1.0
107.01386	2.7
111.00924	1.0
113.02480	1.2
117.03471	2.9
119.05068	2.0
123.00002	1.2
123.00900	24.6
125.02460	37.9
131.01410	0.9
131.05070	1.2
133.02968	2.7
137.02477	1.3
139.00357	1.7
141.01964	1.0
145.02965	9.6
147.04518	3.0
149.02463	2.1
157.02936	1.7
159.04495	2.2
160.01654	1.5
161.02452	12.1
163.00391	3.1
163.04022	4.3
165.01883	1.5
166.99883	28.8
169.01443	47.0
171.00879	1.9
172.01682	1.8
173.02426	9.4
175.04041	4.1
176.01204	1.3
177.01967	2.8
179.03586	1.6
183.04599	0.9
183.79286	0.8
185.02484	3.6
187.00404	1.9
187.04004	0.9
188.01178	1.8
189.01958	12.4
190.02617	1.9
190.99872	1.7
191.03503	8.7
192.00699	1.1
199.00359	1.5
200.01163	3.5
200.49683	1.0
201.01933	12.9
202.02556	1.0
203.03539	4.3
205.01421	2.5
209.00880	1.0
213.01854	1.3
214.02702	1.3
214.99884	2.6
215.03502	1.4
216.00740	3.7
217.01434	19.6
218.01933	1.4
219.02921	4.1
226.99815	3.1
227.03577	2.0
228.00552	1.6
229.01431	10.5
230.02219	3.1
231.03098	4.2
232.00078	1.4
233.00769	1.4
235.02463	1.7
241.01576	1.0
242.99358	5.6
243.02881	2.2
244.00124	3.2
245.00903	32.1
246.01468	1.5
247.02466	15.0
249.03891	1.4
254.99454	1.7
257.00949	8.9
258.01544	1.4
259.02469	2.0
259.99719	1.5
261.00424	3.3
263.01935	1.6
267.02963	1.2
269.00940	1.2
270.98898	14.2
271.02185	1.6
271.99707	4.1
273.00427	60.8
274.01041	5.0
275.01978	9.7
283.99591	1.9
285.00430	3.5
286.98447	1.0
287.01929	2.0
288.99881	2.2
291.01489	3.7
298.98373	19.2
299.01761	1.5
299.99158	17.8
300.99911	75.1
302.00284	2.5
312.99957	3.9
314.00787	1.3
315.01486	2.2
316.99387	4.6
343.01068	5.4
377.05228	1.8
389.05060	1.9
405.04749	4.0
417.04599	3.7
433.04111	6.8
435.05283	1.5
443.02545	6.4
445.04141	100.0
446.04437	5.4
461.03668	24.5
462.03967	1.7
463.05206	58.7
464.05420	3.7
479.04517	1.8
559.07477	1.5
569.05731	4.4
580.97644	1.0
587.07172	1.9
603.06287	7.1
605.07562	1.8
613.04742	60.0
614.04962	4.7
631.05798	44.2
632.06024	3.3
648.48450	1.2
748.70978	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1030.5171
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00929	0.6
74.02480	8.2
81.04580	0.6
82.02988	1.1
84.04560	0.4
86.02496	2.8
86.06126	0.5
86.99120	1.0
87.05630	2.1
90.00195	1.1
96.96034	1.9
97.04090	0.9
99.05659	8.4
101.07227	1.0
102.05634	1.5
106.40521	0.4
107.06142	0.4
109.04078	1.6
109.07761	0.4
110.02414	0.4
111.05639	1.0
112.04062	0.9
116.01801	0.7
123.05630	0.8
124.04078	0.5
125.03572	1.0
127.05175	1.8
128.03557	24.6
131.04669	0.4
135.05653	3.6
141.06764	2.3
143.04639	30.6
145.06189	1.4
146.04604	3.1
153.06717	2.5
153.90279	0.3
159.99492	0.6
160.00752	8.2
166.09932	1.7
167.04639	2.3
167.08292	1.0
170.03342	0.7
171.07938	0.4
177.03450	3.3
179.04648	7.8
180.07832	0.4
181.06259	0.8
184.10805	0.4
185.05692	1.1
188.10435	0.3
192.07884	0.7
197.05708	0.5
198.08907	0.8
209.11894	1.1
210.08871	6.3
242.07770	0.7
254.07855	7.6
272.08896	15.8
273.09256	0.4
288.06631	6.5
289.18167	0.4
300.99850	0.7
306.07678	100.0
307.07971	3.5
307.19183	0.5
341.23441	1.4
342.23688	0.6
455.38351	0.4
945.37903	0.4
1030.51563	4.1
1031.50818	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1029.435
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57915	0.3
78.17684	0.3
79.01905	0.3
83.01387	0.3
85.02972	0.7
87.00897	0.4
95.01399	0.9
96.22982	0.3
101.02466	1.0
107.01409	2.1
111.00879	1.4
113.02464	0.6
123.00902	6.9
125.02460	7.8
127.00393	0.4
136.98753	0.4
137.02473	0.4
139.00403	2.9
140.01146	1.8
141.01968	0.3
151.00392	5.3
153.01971	0.5
163.04022	0.4
165.01880	0.3
168.00648	1.8
169.01431	11.8
169.02844	0.7
171.47444	0.3
175.02625	0.4
181.05084	0.5
211.02486	0.5
271.04593	0.5
301.00015	1.9
313.05731	0.7
329.03073	0.4
357.94388	0.3
415.51462	0.4
424.07617	0.3
448.43063	0.4
491.08307	0.6
523.21887	100.0
524.22253	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	1030.5174
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57016	0.6
71.57427	0.6
72.00911	0.8
74.02483	8.6
81.04623	0.6
82.02986	1.4
86.02509	3.0
86.06113	0.8
86.99111	1.2
87.05663	2.4
90.00211	0.8
96.96025	1.4
97.04085	1.3
99.05660	7.4
101.07223	1.5
102.05623	1.2
107.06147	0.6
109.04081	2.3
109.55055	0.5
112.04066	1.2
116.01789	0.9
118.94883	0.5
125.03625	1.3
127.05146	2.2
128.03560	24.9
135.05684	2.6
137.07210	0.6
141.06740	1.5
143.04642	32.4
144.05026	0.9
145.06221	1.4
146.04651	2.8
153.06735	2.7
155.08287	0.6
160.00760	8.5
166.09891	2.0
167.04639	2.4
167.08260	2.0
176.92619	0.5
177.03426	2.7
179.04631	8.0
185.05696	1.6
192.07768	1.0
197.05794	0.6
210.08884	6.6
225.70177	0.5
231.04471	0.6
242.07770	0.6
254.07869	8.3
272.08942	14.4
288.06674	6.9
299.89816	0.6
300.99951	0.6
306.07700	100.0
307.07990	6.1
308.07394	2.7
341.23358	1.3
656.65820	0.6
918.51172	0.6
1030.52209	3.1
1042.64880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1028.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
72.00903	0.5
72.39503	0.2
74.02483	9.6
80.03833	0.4
81.04604	0.9
82.03008	0.9
84.04570	0.6
85.04060	0.2
86.02496	3.1
86.06122	0.7
86.99130	1.1
87.05646	2.5
90.00211	1.0
95.02493	0.3
96.96025	0.7
97.04092	1.3
98.19862	0.5
99.05660	8.5
100.00454	0.3
101.07226	1.3
102.05637	1.2
103.72758	0.2
104.02278	0.2
107.06186	0.4
109.04094	2.2
109.07742	0.5
110.02544	0.2
111.05646	1.3
112.04071	1.0
113.03552	0.4
113.07219	0.4
116.01781	0.8
120.01290	0.4
121.04066	0.3
123.05673	0.9
123.32936	0.3
124.04062	0.8
125.03586	1.1
126.01971	0.3
127.05151	1.4
128.03560	26.0
129.03818	0.3
129.99718	0.4
131.04668	0.3
135.05667	2.8
137.07251	0.6
139.05190	0.6
141.06729	1.8
143.04645	32.6
144.04973	0.4
145.06203	1.4
146.04623	2.8
146.22789	0.3
149.07222	0.6
153.06714	2.2
155.08330	0.5
160.00758	9.3
165.28001	0.3
166.09892	1.7
167.04623	2.4
167.08319	1.6
170.03380	0.4
171.07794	0.4
177.03439	3.5
179.04646	7.3
180.07938	0.2
181.06180	1.0
185.05673	1.2
192.07813	0.7
197.05684	1.1
198.08858	0.6
210.08862	6.7
213.03255	0.3
228.09834	0.5
229.03737	0.3
231.04485	0.4
242.07867	1.1
254.07857	8.5
260.50278	0.2
272.08911	16.0
273.09296	0.3
277.21536	0.3
288.06677	6.2
306.07687	100.0
307.08002	3.4
333.34708	0.3
471.29666	0.3
966.48224	0.3
1028.49780	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.6392
Annotation	Unknow
Peak:m/z	Relative Intensity
71.56169	3.1
88.98840	2.9
96.96024	7.2
111.00706	1.6
116.46785	1.8
154.33339	2.3
159.33461	1.8
202.51384	1.7
300.99927	5.9
501.32422	4.0
502.32523	2.1
503.32745	2.6
521.30414	100.0
522.30798	10.6
622.17810	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	101.0245
Annotation	(R)-Methylmalonate semialdehyde
Peak:m/z	Relative Intensity
55.01884	32.0
57.03455	32.7
58.00602	3.8
58.02977	5.3
59.01385	66.9
61.19135	3.0
62.73207	3.2
70.78341	8.3
71.01394	47.5
72.99307	9.0
73.02954	100.0
76.66799	2.8
80.65916	3.2
83.01393	9.0
90.18478	2.9
100.96043	5.8
101.02457	54.4
114.29588	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	1015.3096
Annotation	Unknow
Peak:m/z	Relative Intensity
71.57121	1.0
71.72923	0.7
96.96021	0.9
125.02434	1.8
151.00423	1.4
169.01440	3.1
225.05394	0.7
258.01828	0.9
269.98071	2.7
270.98889	6.2
283.99603	2.2
285.00546	7.8
285.03619	1.3
286.01205	2.5
297.97540	8.3
298.98367	17.5
299.98764	0.9
300.99966	2.8
306.07681	0.8
312.99954	25.5
313.03604	1.4
314.00687	30.5
315.01242	1.4
328.02353	10.5
329.03055	63.3
330.03369	2.7
338.86523	0.8
375.13568	0.8
491.08377	100.0
491.55762	0.7
492.08667	6.2
523.21991	8.6
524.22534	4.1
525.22430	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	1001.068
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01411	1.8
95.01400	2.5
98.20645	3.9
109.25128	1.3
119.83823	1.4
123.00885	5.0
125.02476	8.0
145.02969	5.1
149.02362	1.8
151.00351	3.5
161.02461	2.4
163.04039	1.8
169.01418	11.2
173.02414	4.1
177.01988	1.6
178.99884	1.9
185.02457	2.8
189.01924	3.6
191.03426	2.3
201.01968	5.1
203.03467	3.0
211.02547	2.3
217.01378	5.3
229.01454	6.4
229.11188	1.5
231.03094	1.5
245.00929	12.3
247.02501	3.2
254.99329	1.4
255.03038	4.4
257.00842	3.7
270.98706	3.2
271.02255	3.3
271.04828	3.3
273.00418	15.7
275.01990	10.5
283.99609	1.6
298.98376	6.8
299.99106	4.3
300.02728	10.8
300.99948	100.0
301.03259	4.9
302.00180	5.0
305.03128	2.3
320.24774	1.4
445.04242	2.3
463.09470	12.6
537.19775	30.9
538.19873	2.4
617.75385	1.7
709.07324	1.7
933.06586	13.4
965.08881	15.2
966.09442	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	1001.6577
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	0.3
71.05012	0.4
71.27455	0.4
71.27777	0.5
78.95908	1.7
79.95740	1.5
85.06566	0.5
96.96024	20.8
96.96915	1.5
97.06599	3.2
98.95522	0.4
105.80699	0.2
171.10281	0.3
183.64168	0.3
191.14409	0.9
233.94337	0.3
267.92377	0.3
277.21750	1.8
296.59445	0.3
300.99817	0.9
321.26068	0.3
343.21179	0.5
347.38397	0.3
357.52689	0.3
360.24445	0.3
373.25000	0.4
389.28339	1.4
391.25833	0.4
391.30203	5.4
392.30405	0.5
393.31805	3.7
394.32013	0.4
395.33191	0.7
397.13513	0.4
403.29764	0.5
405.31717	3.6
407.33292	8.4
408.33713	0.5
409.31134	0.7
421.31293	0.8
423.33304	1.8
425.30493	1.1
425.35141	0.5
437.30701	8.1
438.30923	0.8
439.32217	3.0
441.33746	16.7
442.33984	1.2
449.30487	1.2
451.26627	0.5
451.32324	7.8
452.32751	0.3
453.33771	100.0
454.34088	8.5
467.31680	1.8
469.33249	34.5
470.33472	3.0
471.34940	0.4
485.32788	1.2
486.32898	1.8
487.34335	65.0
488.34622	5.7
497.32623	1.0
513.32159	1.5
600.71857	0.3
633.08081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	994.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.2
69.07063	3.2
70.06592	2.5
71.61966	1.1
72.13291	0.7
73.02913	1.8
75.38049	0.7
79.05486	15.6
80.05010	0.8
81.03416	2.2
81.07057	15.6
82.06577	2.6
83.01375	0.7
83.04973	1.2
83.08633	1.7
84.04498	1.8
84.08138	5.1
85.02910	6.1
91.03956	3.0
91.05470	11.3
91.05990	0.8
93.07043	13.7
94.06559	9.5
95.04964	3.2
95.07349	1.2
95.08609	11.0
96.08135	3.0
97.02878	4.8
97.06526	0.8
98.04073	0.7
101.34003	0.7
102.65645	0.9
105.07025	6.8
106.06534	1.3
107.08614	8.8
108.04381	0.7
108.08120	2.3
109.02960	0.6
109.06559	1.4
109.08993	0.7
109.10176	4.3
110.06082	0.8
110.09678	1.0
112.07590	2.8
117.07029	2.9
119.08569	7.6
120.08076	1.8
120.16036	0.7
121.10132	5.5
122.09679	1.3
123.08044	0.7
123.11749	1.0
124.11230	4.6
127.03844	1.0
129.07072	1.4
129.31128	0.8
131.08549	4.0
133.06448	0.8
133.10126	3.5
134.09677	1.5
135.11710	2.5
136.11229	1.8
143.08604	1.7
145.10155	3.1
146.09601	1.2
147.11713	3.1
149.13258	1.5
152.10672	1.3
154.12393	0.7
157.10190	1.7
159.11708	2.4
161.13216	1.0
163.11151	0.8
164.14377	1.8
171.11736	1.0
182.15541	0.9
220.16963	1.5
255.89040	0.8
261.22324	1.0
300.23270	1.3
301.21603	1.9
318.24332	3.7
334.23932	1.0
335.25806	8.4
392.27750	3.8
410.28870	1.2
484.79300	0.8
497.31866	0.8
530.21790	0.9
532.40137	1.6
572.42792	1.6
612.46985	0.9
635.47174	1.5
652.49414	5.0
670.50391	100.0
671.50836	5.3
796.53638	1.4
814.54626	4.3
832.55615	45.5
833.55615	1.8
994.60693	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	991.5597
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	3.0
69.07076	0.7
70.85704	0.8
70.86060	0.6
71.05003	0.4
73.02918	3.5
79.05483	2.1
81.03434	1.3
81.07063	2.4
85.02906	5.3
91.03953	2.8
91.05486	1.6
93.07041	2.0
95.05003	0.4
95.08574	1.8
97.02895	5.7
99.04482	0.7
101.02380	1.9
103.03936	0.5
105.07066	1.2
107.08631	1.0
109.02905	0.7
109.10169	0.7
115.03983	0.4
117.07124	0.3
121.10194	0.9
123.11707	0.4
127.03933	1.5
130.62474	0.3
131.08598	0.6
133.10173	0.4
135.11722	0.6
145.10182	0.4
146.36119	0.3
185.04266	0.8
203.05383	0.8
243.08427	2.2
333.20117	1.7
335.26053	0.6
347.09406	2.2
363.09052	0.5
365.10553	0.8
382.96362	0.4
389.23166	0.4
405.13657	5.6
439.19733	0.6
453.21118	0.6
517.62964	0.3
519.29291	5.0
519.36829	0.5
551.28516	2.5
615.25897	0.4
681.34351	6.0
713.33777	2.4
829.50964	1.2
893.48010	0.8
991.55994	100.0
992.56439	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	989.5446
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03435	2.9
69.07062	0.5
69.32970	0.9
69.33383	2.9
71.01372	0.4
73.02928	2.5
79.05502	1.6
81.03420	1.2
81.07051	2.0
85.02905	4.1
87.04485	0.4
91.03955	2.4
91.05494	1.1
93.07064	1.7
95.08627	1.8
97.02902	5.0
99.04475	0.6
101.02387	0.7
105.07022	1.0
107.08614	1.1
109.02900	0.8
109.10201	1.1
115.18804	0.4
119.08628	0.7
121.10176	0.7
125.09624	0.4
127.03956	1.2
131.08601	0.5
131.95335	0.4
145.10185	0.4
159.11781	0.5
185.04265	1.0
243.08447	2.0
274.67776	0.4
331.18781	0.9
347.09711	1.5
353.72702	0.5
365.10742	0.7
405.13654	5.0
435.55606	0.4
519.29211	3.9
549.19617	0.4
549.26672	2.3
681.34595	6.4
711.32117	1.7
777.39642	0.6
827.49390	0.8
895.21448	0.4
895.79871	0.5
989.54474	100.0
990.55133	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	986.6047
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	8.9
69.07072	27.4
69.07439	2.0
69.42931	1.1
70.35242	4.4
71.04992	5.5
73.02892	3.3
77.03918	2.2
79.05495	74.3
81.03413	13.2
81.07059	100.0
83.04977	11.1
83.08617	12.4
85.02909	14.2
85.06527	3.6
91.03934	5.2
91.05482	56.2
91.06063	2.2
93.07049	80.9
95.04987	12.4
95.08611	59.4
95.09227	2.9
97.02905	10.2
97.06531	12.3
97.10168	6.1
99.04449	2.7
99.08094	2.8
103.05476	1.2
105.04521	2.6
105.07033	41.8
107.04937	4.3
107.08596	41.7
109.02883	1.7
109.06520	5.4
109.09454	1.4
109.10163	24.8
111.04429	1.4
111.08067	5.3
113.05984	1.4
113.09616	1.7
115.05421	2.6
117.07024	20.0
117.17358	1.3
119.07770	2.1
119.08582	30.8
121.06511	2.1
121.10150	31.7
123.08056	3.6
123.11723	6.0
125.09626	3.0
127.03905	4.2
128.06203	1.5
129.05455	2.3
129.06972	5.9
131.08563	25.3
133.06543	1.3
133.10143	28.1
135.08029	3.4
135.11694	21.8
137.09586	3.9
137.13287	1.3
139.11191	1.9
140.68657	1.0
141.06956	2.3
142.07814	1.4
143.08574	5.2
144.09406	1.1
145.04941	2.6
145.10132	21.6
147.08023	1.7
147.11688	15.1
149.09575	7.6
149.13252	16.6
151.11154	2.8
155.08551	3.3
157.10194	5.5
159.11694	19.2
161.13263	6.8
163.05986	2.0
163.11165	5.3
163.14827	3.3
165.12822	1.4
169.10114	2.1
171.11659	4.0
173.04480	3.2
173.13264	11.2
175.14844	3.4
177.12752	2.9
177.16254	1.2
179.14351	2.0
183.11708	2.3
185.13240	1.5
187.14809	3.7
189.16264	1.5
195.13815	3.3
197.13231	3.0
199.14761	2.3
203.14340	1.7
215.14474	1.2
217.15932	1.7
219.17473	2.7
227.12700	1.5
229.14218	2.6
229.19516	1.9
235.17044	1.3
239.17946	2.2
241.19742	1.4
243.21033	4.1
253.14268	1.2
255.15923	6.5
257.19092	6.4
259.20532	3.3
261.22150	12.6
267.15823	3.1
269.14819	2.1
269.17496	30.0
269.20444	1.5
273.18250	1.0
275.20050	23.3
293.21127	2.8
309.20557	4.6
315.23373	1.3
317.24747	2.9
331.22638	3.8
333.24252	2.3
335.25800	97.8
336.26093	4.5
339.18085	1.7
349.23706	23.1
367.24829	4.2
413.21649	3.3
437.34122	1.8
489.35205	2.0
515.37384	18.8
529.38904	94.1
530.39221	4.1
547.40051	1.5
569.42047	10.6
609.45117	33.6
627.46265	9.5
651.44916	1.4
673.43146	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	984.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03430	16.5
70.29147	1.1
70.29497	0.7
71.01318	1.4
71.04945	1.2
73.02901	0.4
77.87184	0.4
79.01829	0.9
79.05476	0.5
81.03417	33.7
83.01324	0.6
85.02910	4.1
85.86170	0.4
89.03887	0.5
91.05449	0.4
94.74712	0.4
97.02868	2.9
98.20794	0.4
99.04447	2.3
101.02354	0.6
103.05412	0.5
105.03354	0.9
107.04918	0.7
109.02880	10.2
111.54507	0.4
113.02312	0.5
117.03381	0.8
119.04935	0.5
125.02312	0.7
127.03926	4.4
129.01862	0.5
131.04871	0.8
133.02817	2.1
135.04330	0.6
137.02298	0.5
142.72113	0.4
143.03331	1.3
145.02806	0.7
145.04948	0.4
146.03549	0.4
147.04382	1.4
151.03931	0.6
153.01834	11.7
153.02937	0.9
157.02882	0.9
159.04436	0.4
161.02391	2.5
162.03101	1.0
163.03926	4.4
165.01837	1.3
173.02333	2.4
175.03860	1.7
177.01828	0.5
177.05492	0.8
179.03387	1.8
184.17979	0.4
185.02286	1.2
187.03926	2.9
189.01817	7.4
189.05516	0.4
190.02554	0.9
191.03391	7.1
192.04089	0.5
193.01312	0.7
201.01837	5.1
202.02570	1.1
203.03363	3.7
205.04965	0.8
206.02106	0.5
207.02881	5.6
213.01871	2.4
215.03386	2.8
217.01332	14.0
218.02110	6.1
219.02887	9.3
221.00899	2.5
221.04453	1.4
229.01300	5.5
230.02113	0.9
231.02910	11.6
232.03690	0.5
233.04443	2.2
234.01523	0.8
235.02350	15.7
239.01787	2.2
241.01331	1.7
243.02847	1.1
244.00137	0.5
245.00807	11.2
246.01489	1.2
247.02380	10.5
248.03122	0.7
249.03990	3.4
257.00833	7.3
259.02396	18.1
259.05164	0.9
260.03101	0.4
261.03885	2.7
262.01169	2.0
263.01813	5.4
271.02448	0.8
271.99609	0.5
273.00330	12.9
274.01093	4.8
275.01895	14.5
275.04959	0.8
276.02628	10.2
277.03439	42.1
278.03668	0.7
285.00345	5.2
286.01007	0.6
287.01868	2.8
288.02649	1.3
289.03394	4.3
291.01358	2.5
291.04636	0.6
300.99811	5.5
302.00717	0.8
303.01352	71.0
304.01761	2.3
305.03006	3.0
315.01373	0.4
319.00873	5.7
321.02344	1.1
333.02457	4.8
335.03986	0.6
351.03491	23.9
361.01984	0.6
389.04922	0.4
421.04001	1.2
445.04022	1.0
447.05838	0.7
459.05502	1.4
463.04971	1.9
465.97672	0.4
477.06705	6.2
495.07687	5.1
765.05518	1.7
779.06940	0.9
797.08282	100.0
798.08813	4.1
921.66107	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.1265
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03425	1.7
69.19502	0.2
69.45068	0.4
69.45472	1.0
71.04989	0.3
73.02888	0.2
79.01826	0.3
81.03415	20.6
83.01350	0.3
83.04957	0.1
85.02908	1.2
89.03935	0.2
91.05486	0.6
95.01326	1.4
95.04960	0.3
97.02884	1.9
98.21478	0.4
99.04446	0.6
103.05457	0.8
105.03397	0.2
107.01291	0.3
109.02879	9.1
111.00808	0.3
111.04434	0.2
113.02359	0.5
119.01286	0.4
119.04931	0.5
121.02865	0.5
123.00777	0.3
125.58060	0.2
127.03908	2.0
129.03438	0.4
131.04897	0.6
133.02823	0.2
137.02341	0.5
141.01845	0.3
145.02861	0.3
145.04897	0.3
147.00775	0.3
147.04420	1.3
149.02325	0.5
151.00262	0.4
153.01801	0.5
154.99800	0.2
157.02824	1.2
159.04379	0.2
162.18617	0.2
163.00215	0.2
163.03880	0.5
165.01825	1.8
167.00015	0.2
167.03415	1.7
171.04488	0.2
173.02332	0.7
175.03932	2.2
177.01848	0.5
181.01376	0.2
182.99217	0.3
185.02295	1.5
187.03899	4.6
187.05507	0.3
189.01872	0.3
191.03365	0.8
193.01326	5.1
195.02873	0.6
199.03918	0.3
201.01816	1.4
202.99782	0.4
203.03384	4.1
205.01318	0.5
207.02924	0.3
209.00690	0.2
213.01843	4.0
215.03377	4.4
217.01341	0.5
219.02911	0.9
221.00804	19.8
222.01204	0.3
227.03381	0.2
229.01369	1.4
230.01994	0.4
231.02878	21.4
232.03363	0.3
239.01784	1.4
241.01280	4.0
241.05070	0.2
243.02878	0.3
245.00609	0.2
247.02373	5.1
255.02806	0.3
257.00729	2.8
257.03009	0.4
259.02377	36.2
260.02844	0.7
263.01804	0.7
267.01352	0.2
269.04501	0.3
271.02307	0.5
273.00287	0.8
274.01144	0.3
275.01859	5.6
276.02658	0.7
277.03427	100.0
278.03723	2.0
283.02487	0.3
285.00299	2.0
285.03458	0.3
287.01993	0.5
289.03470	0.2
291.01242	0.2
297.03925	0.4
300.99942	0.3
301.03302	0.4
302.00571	0.8
303.01343	45.1
304.01678	0.9
313.03546	0.2
315.04926	0.2
317.02811	0.2
319.00842	0.7
319.04517	0.2
321.02383	7.6
337.05634	0.2
355.06577	0.3
365.05060	2.7
401.06897	0.4
429.04410	0.4
431.02591	0.4
447.05771	2.4
459.01883	2.2
465.06622	0.5
477.03009	10.3
495.04297	0.3
575.06512	0.5
585.05371	0.4
593.07544	0.7
603.06207	1.5
621.07141	4.6
639.08234	4.8
941.08160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	973.549
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03424	2.5
69.07054	0.9
71.61895	0.6
73.02929	2.3
79.05505	2.1
81.03432	1.0
81.04950	0.5
81.07056	2.9
85.02899	4.4
87.04447	0.6
90.48116	0.5
91.03954	2.5
91.05484	1.8
93.07063	2.1
95.05042	0.5
95.08610	2.2
97.02913	4.7
98.03249	0.5
99.04490	0.7
101.02390	1.7
105.07063	2.2
107.08614	1.2
109.10169	0.8
115.03943	0.5
117.07049	0.6
119.08558	0.9
120.87574	0.4
121.10175	1.2
127.03896	0.8
131.08578	0.9
133.10176	1.5
135.11737	0.8
145.10081	0.8
185.04332	0.8
203.05371	0.6
229.93848	0.6
243.08514	2.1
315.19232	2.7
326.48212	0.5
335.25967	0.6
347.09714	1.8
363.09143	0.9
365.10782	1.1
371.22168	1.0
405.13687	5.9
519.29431	3.3
533.27240	6.0
577.27161	0.6
681.34332	4.1
695.32434	3.0
762.92407	0.5
973.54938	100.0
974.55426	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	975.5654
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03439	3.0
69.07071	0.7
69.66869	1.9
71.01382	0.3
73.02915	2.9
79.05492	2.2
81.03422	1.5
81.07047	2.8
83.91740	0.3
85.02906	4.4
87.04486	0.3
87.27134	0.3
90.30647	0.4
91.03970	3.1
91.05489	2.1
93.07053	3.1
95.08605	1.7
97.02893	4.5
99.04478	0.9
100.24134	0.3
101.02409	1.4
103.03938	0.3
105.07029	1.7
107.08621	1.5
109.02908	0.7
109.10168	0.9
111.19495	0.4
113.13274	0.3
115.03963	0.4
117.07055	0.4
119.08634	0.6
121.10178	0.8
127.03951	1.2
133.10138	0.5
135.11736	1.0
145.10118	0.7
147.11713	0.7
162.21060	0.3
185.04242	0.6
201.03760	0.5
203.05334	1.0
243.08311	1.9
259.07983	0.3
301.08932	0.5
317.21072	0.6
347.09354	2.6
363.09003	0.9
365.10822	0.9
380.81274	0.4
405.13666	4.9
463.14139	0.6
465.20819	0.4
519.29352	4.6
535.16711	0.6
535.28876	2.2
537.31342	0.4
681.34601	6.1
697.33936	2.6
732.38086	0.4
753.37201	0.4
813.51440	0.9
975.56531	100.0
976.56689	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	970.6096
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	7.8
69.07069	17.3
71.04985	6.7
71.32381	4.5
71.32713	3.3
73.02914	4.7
79.05492	71.1
81.03403	7.6
81.07059	86.0
81.27880	3.8
83.05001	3.5
83.08619	13.1
85.02906	19.8
91.03939	12.0
91.05478	82.9
93.07047	80.5
95.04964	10.3
95.08609	70.5
97.02882	11.1
97.06542	3.7
97.10144	5.0
99.08056	3.9
102.28407	2.7
105.04527	5.3
105.07030	79.1
106.27239	2.7
107.08590	48.4
107.87836	2.9
109.06519	6.0
109.10166	33.5
117.07009	26.4
119.08589	64.8
121.10145	43.7
123.11696	6.7
127.03913	5.4
128.06189	3.2
129.07014	15.9
131.08553	36.3
133.10135	45.5
135.08093	3.7
135.11691	31.9
141.06946	3.8
143.08551	17.5
145.04944	4.5
145.10139	35.2
147.11667	41.2
149.09544	4.3
149.13245	15.7
155.08511	3.5
157.10164	14.1
159.11705	26.6
161.13248	27.4
163.06013	7.0
163.11208	3.4
163.14772	5.3
169.10112	5.1
170.31757	3.0
171.10454	3.3
171.11679	17.5
173.13278	18.1
175.14827	14.9
183.11670	5.1
185.13214	15.7
187.11108	3.6
187.14850	10.9
197.13260	5.5
199.14873	8.1
209.13420	3.0
211.14726	3.1
213.16399	3.9
231.21062	8.5
239.18156	3.2
241.19591	22.8
243.21153	8.5
243.91750	3.1
245.00870	3.8
247.02406	3.4
257.18985	10.0
259.20572	72.0
261.22205	13.5
277.03384	3.2
303.01288	4.3
315.23328	6.0
317.24625	3.4
331.23013	3.6
333.24210	62.9
335.25784	100.0
335.67703	3.1
337.27264	5.4
351.25421	4.0
403.24289	3.4
452.04214	3.1
519.42065	4.4
537.42865	4.6
593.45752	16.7
607.51855	2.9
609.45276	3.8
611.46692	94.2
737.49884	3.7
783.05969	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	968.5935
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05165	1.5
67.05505	24.3
69.07069	11.4
71.34852	1.8
79.05499	20.5
81.03413	2.4
81.07059	30.3
83.08613	2.7
85.02843	1.4
85.06528	1.8
86.79233	1.1
91.05477	23.8
93.07043	24.3
95.01332	1.7
95.04955	4.9
95.08610	21.2
97.06532	7.0
97.10134	1.9
105.06367	1.8
105.07038	25.5
107.04940	5.5
107.08595	12.5
109.06493	5.6
109.10120	6.9
111.08095	1.3
115.56040	1.1
117.07017	6.0
119.08584	13.4
121.10146	8.2
123.08081	1.3
123.11736	1.4
131.08582	8.1
131.62675	1.0
133.10115	13.6
135.11667	4.6
137.09645	1.2
143.08580	1.5
145.10138	7.9
147.11662	5.0
149.09595	3.2
149.13258	2.3
159.11670	5.1
161.13211	2.1
163.11099	1.3
165.09071	1.1
166.57567	1.2
169.10042	1.6
173.13232	1.7
179.14262	3.7
219.17458	16.9
224.75880	1.2
257.18906	1.9
261.22110	1.3
275.20041	19.9
335.25772	42.5
336.26184	2.0
343.10669	1.1
349.23718	13.5
500.75128	1.2
591.89758	1.2
606.41089	1.2
609.45154	100.0
610.45160	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	961.5856
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	3.9
69.03430	2.8
69.07065	1.2
70.84030	1.8
71.01356	1.4
73.02929	2.8
73.78018	0.6
79.05501	2.3
81.03416	0.9
81.07065	4.1
85.02885	4.9
89.75721	0.7
91.03968	3.5
91.05495	1.6
93.07057	2.6
95.08622	2.7
97.02908	4.9
99.04468	1.0
101.02416	2.0
107.08601	1.4
114.10091	0.7
119.08646	0.8
121.10224	1.3
127.03930	1.4
131.08562	0.8
133.10237	0.7
135.11749	0.8
135.37128	0.8
185.04233	1.2
203.05338	0.9
212.46834	0.7
243.08539	1.7
335.25967	1.0
341.30591	1.2
347.09766	1.1
363.08588	0.7
365.10605	0.9
385.75998	0.7
405.13843	4.6
519.29517	4.1
521.30890	2.2
681.34436	5.1
683.36267	4.1
961.58490	100.0
962.59088	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	956.63
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	93.6
68.05840	1.6
69.03431	3.0
69.07073	31.6
70.50161	3.9
71.04993	3.5
71.08636	1.9
73.02930	7.7
79.05496	51.9
81.03423	2.3
81.07059	100.0
83.04964	3.0
83.08143	1.4
83.08619	19.7
85.02423	1.5
85.02907	27.2
85.06538	3.0
85.10207	1.6
91.03957	17.5
91.05480	33.2
93.07050	58.4
94.07346	2.1
95.04955	3.8
95.08608	79.1
96.08920	1.5
97.02892	11.9
97.06525	3.2
97.10168	9.9
97.80714	1.4
99.08098	3.4
103.05429	1.6
105.07032	26.8
107.08601	33.3
109.02848	1.9
109.06547	1.8
109.10164	33.1
111.11677	1.9
113.09646	1.5
117.07027	6.6
119.08577	23.0
121.10147	28.8
123.08065	2.0
123.11714	13.6
124.16972	1.4
127.03928	7.2
129.06963	1.3
131.08574	15.6
133.10138	16.5
135.11707	19.4
137.09622	2.2
137.13225	3.4
145.04968	8.6
145.10155	11.7
147.11719	14.7
149.13254	10.0
151.14845	2.1
155.76013	1.2
157.10057	2.2
159.11697	8.5
161.13266	9.7
163.06013	10.9
163.14810	6.0
165.12715	1.4
167.14337	1.4
171.11771	1.7
173.13278	8.2
173.82079	1.1
175.14824	3.8
177.16347	2.4
185.13260	2.8
187.14807	3.3
189.16458	1.9
191.17973	1.6
199.14888	1.6
201.16360	3.8
205.19211	1.5
231.21036	2.1
241.19652	1.6
243.21106	8.2
245.22676	4.1
259.20502	7.4
261.22156	27.0
263.23676	4.9
317.24710	4.7
333.24203	4.0
335.25815	83.9
336.26129	4.5
337.27374	86.9
338.27682	3.0
339.28784	6.8
517.39099	1.5
523.44684	5.1
541.46167	1.8
597.48822	36.7
598.48956	2.4
615.49866	45.5
616.50372	2.7
823.32428	1.5
886.28009	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	954.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	57.5
69.03429	3.1
69.07073	15.3
69.23973	3.0
69.24400	4.3
71.04986	2.4
71.08619	0.9
73.02917	3.4
73.91765	0.7
74.93259	0.7
79.05495	40.2
81.03429	1.7
81.07061	57.5
83.04976	1.7
83.08620	8.1
85.02906	16.0
85.06548	1.5
85.10201	0.7
91.03959	11.2
91.05477	23.7
93.07049	44.9
95.04965	3.0
95.08608	47.1
97.02904	8.4
97.06519	3.1
97.10167	4.1
99.04482	0.8
99.08069	1.4
103.03970	0.9
105.04534	0.9
105.07030	19.4
107.08598	28.7
109.06534	1.6
109.10159	23.0
111.08079	1.2
112.30208	0.7
117.07035	7.7
119.08580	16.2
120.08787	0.8
121.10147	22.7
121.11021	1.5
121.12059	0.8
123.08061	1.0
123.11717	8.5
125.09630	1.2
127.03898	4.3
129.07008	2.0
131.08572	14.1
133.10139	13.2
135.11699	16.0
137.09605	0.9
137.13255	1.8
137.87776	0.8
139.11159	1.0
143.08563	2.0
145.04990	6.2
145.10146	11.3
147.11702	11.5
149.13272	10.7
151.11174	0.9
151.14807	1.5
152.66081	0.7
157.10126	1.9
159.11700	9.6
161.13264	8.7
163.06058	7.3
163.14813	4.5
169.10004	0.8
171.11682	2.6
173.13252	7.8
175.14857	4.1
176.15224	0.8
177.16298	1.4
179.14268	0.9
183.11707	1.1
185.13298	2.0
187.14841	5.1
189.16437	1.4
197.13104	0.8
199.14850	2.3
201.16341	0.8
215.17950	1.4
231.20897	1.1
233.22665	1.0
241.19591	3.4
243.21121	6.2
245.22693	1.3
259.20566	9.3
261.22150	21.6
263.23810	1.5
266.68338	0.7
277.21661	1.2
279.23419	1.0
309.24225	1.2
313.25214	1.0
317.24847	2.5
333.24240	8.6
335.25806	100.0
336.26172	2.7
337.27365	14.2
341.28210	1.4
355.29932	1.2
369.24414	0.9
399.44788	0.8
489.35526	1.1
521.43408	2.5
529.38123	1.0
539.44537	1.0
543.40057	1.3
595.47198	18.1
613.48334	20.7
614.48413	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03426	0.9
69.68909	1.4
79.01848	6.6
79.05437	0.2
81.03414	7.5
85.02909	0.2
91.05493	0.9
97.02897	1.4
97.08707	0.2
98.20727	0.4
99.04450	0.4
103.05450	1.1
107.01298	1.2
109.02877	4.3
115.15304	0.2
119.04941	0.6
123.00829	0.3
125.02327	2.5
127.03923	3.2
129.03403	0.7
131.04897	1.1
133.02853	0.6
143.03403	5.6
145.02867	0.7
147.04401	1.7
153.01828	58.5
153.02904	3.9
154.02176	0.7
157.02879	1.5
159.04346	0.3
161.02365	0.5
163.03873	1.2
165.01848	0.3
171.02960	0.3
173.02328	0.9
175.03905	2.0
179.03407	0.5
181.01321	0.4
181.60841	0.2
185.02299	1.9
187.03902	5.3
187.05499	0.4
189.01849	1.0
191.03412	1.7
192.46808	0.2
195.03018	0.2
201.01802	0.9
203.03387	4.2
207.02902	1.3
213.01842	4.3
215.03397	4.9
217.01299	1.6
219.02928	2.1
221.00850	0.4
229.01343	0.9
230.02103	0.3
231.02879	21.5
232.03183	0.2
233.04517	0.5
235.02356	2.6
241.01302	4.8
245.00772	1.1
247.02365	1.9
257.00854	1.4
259.02380	34.3
260.02783	0.7
261.03928	0.7
263.01941	0.9
273.00330	1.0
275.01865	2.7
276.02625	0.6
277.03427	100.0
278.03690	1.5
279.05099	0.7
285.00272	0.9
285.35880	0.2
289.03259	0.3
300.99808	0.5
302.13126	0.3
303.01343	13.4
304.01581	0.3
319.00726	1.3
321.02359	2.1
337.01868	5.7
379.02859	0.3
399.03094	0.3
403.02905	0.4
418.58170	0.2
427.02612	0.4
429.04272	0.3
445.03864	1.0
463.05118	1.5
615.05536	0.3
633.07605	1.2
935.06293	0.8
952.93652	0.3
953.08954	3.6
954.10706	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	950.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05164	1.7
67.05508	30.5
69.03432	3.0
69.07083	6.5
70.14828	3.9
71.04980	3.4
79.05051	1.6
79.05491	22.8
81.03419	38.0
81.07059	31.0
83.04997	5.2
83.08627	9.4
85.02910	10.0
90.69063	1.2
91.03929	1.7
91.05482	19.7
93.07048	29.1
95.04969	12.0
95.08608	18.5
97.02897	4.8
97.06519	3.5
97.10150	3.1
105.07030	17.0
107.04958	2.7
107.08595	13.7
109.02878	1.3
109.06507	4.1
109.10163	8.2
111.04455	2.5
111.08089	3.8
113.06019	1.2
117.07008	3.6
119.08589	13.8
121.10144	13.3
123.08076	2.0
123.11707	2.4
129.05403	1.1
129.07027	3.5
131.08601	7.8
133.06493	1.3
133.10115	7.9
135.11694	4.4
137.09612	1.3
137.13245	1.6
142.07782	1.4
142.12666	1.1
143.08461	1.5
145.10135	5.2
147.08064	1.3
147.11687	8.3
149.09613	2.7
149.13248	1.9
157.10129	5.5
159.11697	3.1
161.13268	1.2
165.12804	2.4
171.11696	1.4
173.13322	1.7
175.11192	6.7
189.51172	1.1
193.12225	16.1
211.13277	12.9
243.21252	1.5
261.22156	4.0
267.15906	12.8
283.15668	1.3
285.16968	4.4
335.25790	31.5
429.21259	7.8
455.33191	1.1
527.37451	6.8
545.38397	100.0
546.38843	3.8
658.60840	1.2
689.42609	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	950.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05164	1.7
67.05508	30.5
69.03432	3.0
69.07083	6.5
70.14828	3.9
71.04980	3.4
79.05051	1.6
79.05491	22.8
81.03419	38.0
81.07059	31.0
83.04997	5.2
83.08627	9.4
85.02910	10.0
90.69063	1.2
91.03929	1.7
91.05482	19.7
93.07048	29.1
95.04969	12.0
95.08608	18.5
97.02897	4.8
97.06519	3.5
97.10150	3.1
105.07030	17.0
107.04958	2.7
107.08595	13.7
109.02878	1.3
109.06507	4.1
109.10163	8.2
111.04455	2.5
111.08089	3.8
113.06019	1.2
117.07008	3.6
119.08589	13.8
121.10144	13.3
123.08076	2.0
123.11707	2.4
129.05403	1.1
129.07027	3.5
131.08601	7.8
133.06493	1.3
133.10115	7.9
135.11694	4.4
137.09612	1.3
137.13245	1.6
142.07782	1.4
142.12666	1.1
143.08461	1.5
145.10135	5.2
147.08064	1.3
147.11687	8.3
149.09613	2.7
149.13248	1.9
157.10129	5.5
159.11697	3.1
161.13268	1.2
165.12804	2.4
171.11696	1.4
173.13322	1.7
175.11192	6.7
189.51172	1.1
193.12225	16.1
211.13277	12.9
243.21252	1.5
261.22156	4.0
267.15906	12.8
283.15668	1.3
285.16968	4.4
335.25790	31.5
429.21259	7.8
455.33191	1.1
527.37451	6.8
545.38397	100.0
546.38843	3.8
658.60840	1.2
689.42609	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	941.5079
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.5
69.03430	2.9
69.07073	0.8
69.23863	2.1
69.24286	0.9
69.68786	0.3
70.06590	0.4
71.01340	0.6
71.04993	0.7
73.02917	3.8
73.87260	0.3
79.05502	2.6
81.03429	3.1
81.07053	3.0
83.04974	0.4
83.08627	0.3
85.02905	6.6
87.04486	0.4
91.03956	3.3
91.05479	2.3
93.07052	3.5
95.04967	0.7
95.08620	2.2
97.02896	6.7
97.06566	0.4
99.04476	1.2
101.02367	1.5
105.07046	1.5
107.08624	1.1
109.02883	1.3
109.10165	1.1
111.08092	0.3
115.03949	0.5
119.08602	1.1
121.10177	1.2
127.03928	1.7
131.08617	1.0
133.10204	0.8
135.11714	0.8
145.04988	0.3
145.10158	0.6
147.11751	0.6
149.09636	0.5
172.36885	0.3
179.81490	0.3
185.04291	0.7
193.12349	0.6
203.05385	0.6
243.08348	2.3
283.15244	2.7
339.17850	0.4
347.09515	2.1
363.09048	0.4
365.10864	0.7
405.13696	5.6
469.20764	0.6
501.23038	4.5
519.29285	6.2
519.36859	0.4
606.93713	0.3
663.28497	3.5
681.34570	7.3
696.36310	0.4
779.45630	1.3
941.50812	100.0
942.50757	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	941.0887
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01863	0.9
68.99792	1.6
69.03432	5.2
69.77261	1.5
71.01339	0.9
71.04972	0.8
71.42435	0.3
73.02925	0.3
79.01853	1.9
81.03418	36.4
83.01339	0.9
83.04976	0.4
85.02414	0.3
85.02910	4.7
89.03912	0.7
91.01836	0.4
91.05490	0.4
92.99772	1.5
95.00739	0.5
95.01331	9.1
95.05012	0.3
97.02892	3.2
98.21477	0.4
99.00826	0.5
99.04448	2.0
101.02365	0.6
105.03395	0.3
107.01312	1.2
109.02884	14.8
111.00800	0.9
111.04433	0.7
113.02361	2.4
117.03371	0.9
119.01282	1.2
119.04951	0.7
121.02866	2.5
123.00783	1.5
125.02369	1.4
127.03921	4.7
129.03360	0.3
131.04916	0.4
133.02893	0.5
135.04417	0.6
137.02327	2.2
139.00255	0.6
139.03885	0.5
141.01837	1.9
145.02872	1.0
145.04950	0.3
146.03603	0.3
147.00764	1.0
147.04384	1.5
149.02338	2.0
151.00246	1.1
151.03972	0.3
153.01797	1.4
154.99820	0.3
155.04903	0.3
157.02869	0.8
159.04320	0.6
161.02357	0.5
163.00287	0.4
163.03908	1.8
165.01843	8.2
166.99800	0.6
167.03410	4.0
167.04745	0.5
169.01323	0.9
171.04364	0.4
173.02359	3.1
175.00293	0.7
175.03900	1.8
177.00488	0.4
177.01799	1.7
179.03462	0.8
181.01331	1.1
182.99315	0.5
183.02928	0.6
185.02417	0.9
187.03882	2.2
189.01854	1.1
190.02554	0.5
191.03409	3.7
193.01329	31.1
194.01836	0.3
194.99283	0.5
195.02844	1.4
197.05920	0.4
199.03951	1.1
201.01817	6.2
201.05447	0.7
201.84416	0.3
202.02605	0.9
202.99832	0.4
203.03366	3.7
205.01257	1.6
207.02937	1.1
209.00829	0.7
211.02406	1.1
213.01878	1.9
213.05522	0.8
215.03395	2.2
217.01263	2.3
218.02136	0.7
219.02927	3.7
221.00815	43.3
222.01216	0.9
223.04121	0.3
227.03403	0.5
229.01346	5.9
229.04999	0.7
230.02106	1.1
231.02892	12.1
233.04459	0.3
235.02359	0.6
237.00392	0.3
239.01740	3.8
241.01366	1.9
241.04974	1.2
243.02930	0.9
244.03702	0.3
245.00850	2.3
245.04486	0.6
246.01625	0.5
247.02390	15.8
248.03084	0.5
249.00404	0.4
251.03592	0.5
255.02922	0.9
257.00790	9.8
257.03391	0.6
258.01572	0.9
259.02380	16.0
260.03067	0.5
261.00333	0.3
261.03934	0.6
263.01907	2.1
267.01221	1.5
269.04495	1.2
271.02283	1.4
273.00336	2.6
273.03830	0.4
274.01242	0.7
274.05035	0.3
274.99557	0.2
275.01865	16.5
276.02585	5.0
277.03445	31.7
278.03726	0.6
279.02899	0.3
283.02466	0.4
285.00269	6.6
285.03329	0.6
287.01807	1.3
289.03458	1.2
291.01498	0.5
295.02338	0.4
297.00989	0.4
297.03888	1.6
299.01971	0.8
300.99829	1.3
301.03534	1.2
302.00610	3.0
303.01352	100.0
304.01743	1.8
305.03305	0.3
307.02420	0.3
311.01807	0.5
313.00250	0.3
313.03262	1.2
315.01364	0.7
315.04895	0.3
317.02863	0.5
319.00943	0.4
319.04584	0.3
321.02368	2.2
325.03571	1.0
327.01300	0.5
339.04953	0.4
341.03073	0.6
343.04642	0.7
345.02335	0.3
347.03879	0.6
353.03268	0.3
365.04987	1.2
369.02362	0.3
373.05725	0.3
385.05722	0.8
387.03510	0.5
401.04660	0.4
403.02841	0.4
429.04593	1.4
431.02591	1.2
445.04623	0.3
447.05591	4.3
449.03558	1.1
459.02029	4.9
477.03024	24.3
478.03229	0.7
495.03970	0.4
575.07275	0.3
593.08069	0.5
603.06122	0.8
621.07623	2.6
639.08521	1.9
941.08868	13.5
942.08679	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5859
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.0
69.03432	4.5
69.07076	0.8
70.63865	0.4
71.01364	0.9
71.03905	1.1
71.05027	0.5
71.08643	0.8
73.02918	4.4
78.34853	0.4
79.05499	1.4
79.49315	0.5
81.03420	1.3
81.07055	2.9
85.02914	6.0
87.04497	1.0
91.03964	4.1
91.05502	0.7
93.07056	1.4
95.08622	3.1
97.02900	6.9
99.04458	1.2
101.02399	1.7
107.08625	0.9
109.02894	1.1
109.10177	1.3
115.03970	0.9
119.08659	0.7
121.10154	0.7
122.95390	0.5
127.03957	2.2
145.04964	0.8
185.04288	1.6
243.08456	2.7
248.94751	0.5
313.27325	0.7
347.09650	2.6
365.10770	0.9
405.13733	6.4
466.58862	0.6
497.31015	4.8
519.29242	6.0
659.35986	4.1
681.34552	6.9
775.53168	1.4
932.49969	0.6
937.58649	100.0
938.58771	6.1
945.35016	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	937.5861
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.7
69.03434	2.8
70.36014	2.5
73.02905	3.9
74.18649	0.8
79.05498	1.0
81.03423	1.1
81.07065	1.9
85.02908	4.5
85.10220	0.7
89.68913	0.7
91.03961	3.2
93.07054	1.4
95.08615	2.6
97.02895	5.5
99.04475	0.9
101.02393	1.7
104.99295	2.9
109.02894	0.9
115.03946	0.8
127.03954	1.7
144.18661	0.7
162.78180	0.7
164.92076	1.0
186.99629	1.5
198.23073	0.6
202.93306	0.8
243.08473	1.1
268.99857	1.7
271.05457	0.7
286.99152	0.9
333.75833	0.7
347.09549	1.7
365.10742	0.7
405.13782	5.8
497.31070	2.7
508.95639	0.8
519.29285	4.5
659.26953	0.7
659.35632	3.4
681.34589	5.9
698.69427	0.8
901.46716	1.0
937.58679	100.0
938.58990	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	936.5525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	3.0
67.05508	54.2
69.03429	3.0
69.07072	12.1
71.04999	4.3
73.02931	3.6
76.64998	0.9
77.03923	1.3
79.05495	44.6
81.03420	81.8
81.07061	62.8
83.04985	7.0
83.08627	21.0
85.02911	7.3
85.06547	3.2
89.06041	4.7
91.03964	6.0
91.05485	35.6
93.07047	43.8
95.04974	28.6
95.08610	45.5
97.02897	7.3
97.06544	4.4
97.10188	7.9
99.08112	1.7
103.05463	1.8
105.07037	37.3
105.07758	1.9
107.04966	9.0
107.08597	28.5
109.06527	6.7
109.10159	23.3
111.04453	1.4
111.08093	8.4
115.05468	1.4
117.07003	10.3
119.05001	1.0
119.08583	25.1
121.06540	5.5
121.10149	24.5
123.04454	2.0
123.08092	3.5
123.11733	8.2
125.09641	4.1
127.03918	1.7
128.06250	1.2
129.07016	10.6
131.08575	22.0
133.06482	3.9
133.08626	2.6
133.10124	14.7
135.08083	2.6
135.11702	13.8
137.06013	1.2
137.09634	2.5
137.13251	1.9
141.06955	1.4
142.07809	2.7
143.08577	3.9
145.04955	3.0
145.06413	1.3
145.10143	12.7
147.04369	1.7
147.08052	7.0
147.11690	14.6
149.09639	7.1
149.13266	8.0
151.11198	1.8
153.09148	1.2
155.08578	1.1
157.10135	11.3
159.11705	8.7
161.13278	6.9
163.06027	4.0
163.11166	3.7
163.14853	5.4
165.12752	2.4
171.11702	2.8
173.11874	1.5
173.13229	6.6
175.11183	9.0
175.14870	2.9
177.11276	1.5
185.13258	1.6
185.80757	0.9
187.11128	1.3
187.14879	4.0
189.11227	4.3
189.16359	1.8
193.12257	22.9
197.13243	0.9
199.14774	1.4
201.16289	1.4
205.12207	1.0
209.13376	1.3
211.13251	1.6
215.17851	1.1
225.12703	2.7
227.12785	8.9
229.45056	1.3
233.15338	1.2
233.22566	1.3
235.13278	2.8
243.21162	6.3
247.16861	1.1
249.14850	3.3
259.13303	1.7
259.20599	2.1
261.22165	23.3
267.15924	100.0
268.16360	1.4
273.14908	2.4
275.20148	1.1
285.16983	1.5
287.20044	1.2
300.99301	0.9
301.14346	3.0
301.25275	5.6
303.23529	1.3
307.19205	1.1
309.16956	5.7
315.23077	1.6
317.24762	3.3
319.15353	1.4
319.36768	0.9
333.17157	1.1
333.24240	1.0
335.25815	99.6
336.26205	2.8
337.27542	1.0
359.25546	1.7
407.24341	1.0
417.26358	1.4
421.26001	2.9
435.27121	3.5
435.32687	6.9
449.28915	1.8
453.33749	9.6
471.34808	4.9
475.30334	1.2
509.36600	3.1
527.37341	79.4
528.37494	3.3
545.38403	73.9
546.38666	3.7
559.40021	2.6
569.38397	12.9
611.39166	1.6
623.39270	3.7
635.39197	4.7
653.40210	4.3
671.41266	3.4
777.43817	1.0
800.57220	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5134
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	4.3
69.03434	3.4
69.07069	0.7
71.01367	0.5
71.04997	1.4
72.73031	0.4
73.02922	4.3
79.05510	2.5
80.67928	0.4
81.03423	1.6
81.07054	3.9
83.08630	0.6
85.02907	5.0
87.04447	0.8
91.03949	3.9
91.05506	1.8
93.07050	2.1
95.08620	2.2
97.02904	5.5
98.20668	0.6
99.04462	0.7
101.02387	2.4
105.07066	1.7
107.08636	1.4
109.02898	1.2
109.10216	0.8
115.03979	0.6
117.07025	0.4
119.08562	1.0
121.10213	0.9
123.11716	1.0
127.03985	1.0
133.10213	0.5
135.11748	0.7
145.04950	0.5
151.11205	0.6
159.11761	0.4
185.04329	0.8
203.05402	0.7
209.11942	0.5
229.30199	0.5
243.08473	2.3
252.88632	0.4
267.15729	0.9
273.45374	0.5
335.25748	0.5
347.09320	2.0
365.10730	1.4
405.13693	4.9
485.23593	4.3
519.29327	5.6
647.28845	3.6
681.34637	5.9
752.68481	0.5
763.45764	1.5
925.51343	100.0
926.51660	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	932.6308
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03934	1.0
67.05508	36.2
69.03414	2.2
69.07071	12.6
70.12615	2.7
71.04980	1.9
71.08636	19.1
73.02912	3.7
78.11489	0.5
79.05054	1.1
79.05499	18.6
80.99414	0.5
81.03412	1.2
81.07060	42.3
83.04987	0.9
83.08623	10.2
85.02906	15.4
85.06522	1.5
85.10177	10.9
89.06023	1.4
91.03963	10.2
91.05483	10.4
93.07048	29.2
95.04959	1.9
95.08611	41.1
97.02893	8.7
97.06525	2.2
97.10155	5.4
98.20880	0.7
99.04430	0.9
103.07591	1.2
105.07045	7.1
107.08595	16.6
109.02811	0.6
109.06486	1.1
109.10161	22.0
111.11697	1.2
115.03956	0.7
116.29096	0.6
117.07032	4.6
119.08591	7.4
121.10151	11.7
123.11707	7.8
125.09634	0.7
127.03907	3.4
131.08586	6.8
133.10120	6.3
135.11699	11.5
137.13239	3.3
141.55977	0.7
145.04962	7.1
145.10115	6.1
147.11673	6.0
149.09679	0.7
149.13266	6.5
151.14841	0.7
153.12694	0.9
159.11687	5.4
160.98540	0.5
161.13275	3.6
163.06033	6.6
163.14818	3.9
170.36560	0.6
173.13243	5.3
175.14789	1.4
177.16391	1.7
187.14738	2.9
201.16469	1.3
231.03494	0.7
233.22655	2.0
239.23766	3.2
243.21107	9.7
257.24704	1.8
261.22156	38.2
279.23264	0.9
313.27377	100.0
314.27682	1.5
315.64063	0.7
317.24789	5.2
331.28558	1.1
335.25815	80.2
336.26309	1.6
340.92322	0.6
344.73657	0.8
363.11349	0.7
499.45129	1.0
573.48792	40.7
574.48926	1.0
591.49860	8.7
642.87305	0.8
714.84406	0.9
864.65222	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05516	3.4
69.03428	3.4
69.07078	0.9
69.23034	1.2
69.23454	2.7
71.01368	0.6
71.05000	2.4
73.02921	3.5
79.05495	2.0
81.03428	1.4
81.07056	4.2
83.04990	0.5
83.08620	0.6
85.02911	6.2
87.04486	0.5
91.03953	3.6
91.05482	2.6
93.07052	2.4
95.04979	0.5
95.08624	1.4
97.02890	5.8
97.06560	0.6
98.21427	0.8
99.04482	1.0
101.02380	1.8
103.03983	0.5
105.07053	1.0
107.08624	1.1
109.02914	0.9
109.10205	1.0
115.03934	0.4
117.07030	0.5
119.08633	0.4
121.10130	0.6
123.11752	0.7
127.03945	1.7
131.08653	0.6
133.10172	1.5
135.11755	0.7
145.05038	0.4
149.13306	0.6
151.11229	0.8
171.22748	0.3
185.04327	0.9
187.13391	0.4
201.94531	0.3
203.05347	0.4
243.08385	2.1
267.15848	1.0
293.55762	0.3
323.18320	0.5
347.09540	2.0
363.09036	0.6
363.61057	0.4
365.10635	1.0
405.13712	4.6
453.21375	0.4
485.23608	6.5
490.72723	0.4
519.29315	4.1
591.10059	0.4
647.28882	5.8
681.34222	3.1
763.46350	1.3
925.51318	100.0
926.51471	5.2
942.49524	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5573
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58424	0.4
65.03940	1.6
67.05508	48.6
69.03117	0.4
69.03423	2.2
69.07070	8.1
70.85227	0.5
70.85569	1.1
71.04999	14.6
71.08615	0.4
73.02926	1.9
73.85813	0.4
76.86217	0.4
79.05496	26.8
79.55595	0.4
81.03418	1.7
81.07059	73.5
82.07397	0.8
83.04998	3.3
83.08627	6.2
85.02906	8.5
85.06546	6.1
90.93394	0.4
91.03964	4.8
91.05485	23.2
93.07049	31.1
95.04967	3.1
95.08610	21.8
97.02895	5.6
97.06534	4.2
97.10154	2.3
99.04472	1.0
99.08092	1.3
105.04555	0.6
105.07037	12.6
105.07753	0.6
107.08595	16.5
109.06535	2.3
109.10160	10.2
111.08082	1.6
113.09647	0.4
117.07031	4.7
119.08585	6.5
121.10146	12.9
122.10339	0.4
122.95269	0.4
123.08083	0.9
123.11707	10.9
123.12555	0.7
125.09652	0.7
127.03894	1.6
129.07013	0.6
131.08572	7.4
133.10138	15.8
135.08022	0.5
135.11699	8.4
137.09634	0.5
137.13303	0.6
143.08594	0.9
145.04988	2.2
145.10120	4.4
147.11691	3.5
149.13275	5.3
151.11198	5.1
153.12730	0.4
157.10207	1.0
159.11707	5.7
161.13303	2.3
163.06038	2.4
163.14946	0.5
169.10121	0.5
169.12256	1.0
171.11711	0.6
173.13280	2.6
173.37471	0.4
175.14799	0.7
177.12761	1.4
177.16466	0.5
179.14497	0.8
183.13857	2.2
187.13312	3.2
187.14761	0.8
195.13867	1.2
201.14850	0.9
227.16461	1.4
243.16162	0.6
243.21100	1.2
257.17517	1.3
259.20697	0.7
261.22141	1.9
269.17474	5.2
299.23633	0.6
301.20099	12.1
317.24765	1.0
325.24484	0.4
335.25812	20.9
336.26114	0.5
393.31561	0.6
395.88217	0.4
400.62924	0.5
410.56082	0.4
411.32684	0.7
413.21548	0.6
437.34351	1.0
445.24332	0.9
455.35034	0.6
475.34488	0.4
485.36172	1.3
503.37332	73.5
504.37405	3.2
511.37988	1.0
517.39014	3.4
529.38916	14.7
547.40356	0.9
561.41522	100.0
562.42047	4.4
647.41064	0.6
673.43176	1.0
675.43420	0.4
705.45569	2.4
942.35388	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05512	3.6
68.33594	0.7
69.03442	4.2
70.66074	1.5
70.66422	1.1
71.04999	0.8
72.35958	0.7
72.36344	0.7
73.02935	4.0
79.05504	2.2
81.03428	2.1
81.07062	2.9
83.08685	0.8
85.02908	6.3
91.03976	4.9
91.05489	1.7
91.25738	0.7
93.07047	3.8
95.08603	1.8
97.02886	6.1
99.04462	0.7
101.02395	1.9
105.07073	1.3
107.05006	0.7
107.08610	2.3
109.06574	0.7
109.10175	1.1
119.08609	0.8
121.10268	1.1
127.03954	2.7
131.08603	1.6
135.11667	1.0
145.10165	1.4
173.13364	0.8
176.60068	0.7
203.05310	1.0
243.08484	2.2
265.27618	0.8
283.15552	0.8
305.13660	0.8
325.07162	0.8
347.09711	2.5
365.10611	1.3
397.86963	0.7
405.13809	4.9
413.17566	0.8
422.38000	0.8
467.19083	3.2
470.70880	0.8
485.20108	1.5
519.29248	4.8
629.24506	0.8
647.25073	1.5
681.34320	6.8
728.11456	0.8
745.42053	1.4
755.41815	2.5
907.46625	8.0
925.47540	100.0
926.47791	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	920.5576
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	2.6
66.51376	0.5
67.05505	56.4
69.03428	2.4
69.07067	10.9
70.73284	1.6
70.73642	0.7
71.04993	16.7
71.08646	0.5
73.02917	2.7
77.03946	0.6
79.05495	32.0
79.19193	0.6
81.03418	2.3
81.07056	85.2
83.04986	3.7
83.08624	7.0
85.02911	10.1
85.06547	7.1
87.04502	0.8
91.03961	5.3
91.05479	27.3
93.07045	37.5
95.04955	3.1
95.08607	25.2
95.09226	1.2
97.02888	5.7
97.06543	4.6
97.10177	2.1
99.04439	0.6
99.08110	0.7
103.05475	0.8
103.40784	0.7
105.04516	1.0
105.07027	16.7
107.08597	20.0
109.06520	0.9
109.10159	11.7
111.08091	2.3
116.14117	0.6
117.07018	4.9
119.08572	8.0
121.10146	14.6
123.08047	1.2
123.11707	13.1
125.09628	1.2
127.03927	2.1
128.29166	0.6
129.06978	0.7
131.08562	9.1
133.10127	19.6
135.11691	10.7
135.12680	0.8
137.09612	0.7
139.11194	0.8
143.08595	0.6
145.04982	2.6
145.10114	4.8
147.11716	3.6
149.09677	0.9
149.13261	6.1
151.11177	5.6
153.12794	1.2
157.10172	1.3
159.11667	6.3
161.13197	3.2
163.06055	2.2
163.14836	0.8
165.12802	0.7
169.12262	0.7
171.11638	1.5
173.13271	2.7
174.34378	0.6
175.14896	1.6
177.12749	2.1
183.11742	0.9
183.13837	2.7
185.13370	0.7
187.13333	3.2
187.14856	1.2
195.13788	1.7
199.14883	0.9
199.40268	0.6
227.16399	2.5
243.21109	0.9
253.18037	1.7
257.17526	2.2
259.20758	1.2
261.22192	1.7
269.17389	6.5
271.20660	0.7
299.23837	0.6
301.20071	19.4
317.24789	0.7
335.25800	19.2
393.31674	0.7
411.32626	1.7
419.33008	0.8
429.33896	0.9
437.34204	2.0
445.24969	0.7
485.35907	4.1
503.37317	81.3
504.37482	3.0
511.38174	2.2
517.38751	4.1
529.38934	24.5
530.39087	1.3
547.40173	1.0
561.41504	100.0
562.42047	4.3
579.42224	0.9
705.45740	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.9
69.03432	2.7
69.07066	0.8
70.80245	1.1
70.80559	0.9
71.01342	0.7
71.08640	1.4
73.02923	3.7
81.03431	2.5
81.07075	1.8
83.08650	1.0
85.02899	6.4
85.10194	0.7
91.03980	2.9
91.05487	1.8
93.07033	0.7
95.08597	1.4
97.02895	5.8
101.02373	1.9
105.07085	1.5
109.02899	1.3
109.10162	0.7
119.08590	0.7
121.10144	0.9
127.03961	2.0
147.11711	1.2
182.75746	0.7
185.04337	0.9
193.12335	1.6
203.05321	1.1
243.08499	2.1
341.30783	0.7
347.09723	2.1
365.10629	1.2
382.17026	0.6
399.85947	0.8
405.13675	5.7
440.51382	0.8
469.20563	8.4
493.66708	0.7
525.34052	3.8
631.25897	6.7
687.39539	2.8
753.47607	1.8
915.52844	100.0
916.53308	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	919.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	0.7
69.03442	3.7
69.07085	0.5
71.04999	1.5
71.08620	1.0
73.02918	3.8
77.90749	0.5
79.05508	1.3
81.03425	2.8
81.07053	2.8
85.02904	5.1
85.10200	0.8
91.03958	2.6
91.05496	1.7
93.07045	1.2
95.05007	0.9
95.08625	1.4
97.02898	5.4
97.06532	0.6
97.10124	0.5
101.02388	1.4
105.07032	0.8
107.08596	0.6
109.02885	0.8
109.10143	0.7
115.03935	0.5
115.19668	0.5
119.08596	1.0
121.10187	0.9
127.03960	1.1
131.08630	1.2
132.27890	0.4
133.10182	0.8
149.09657	1.1
185.04263	0.7
193.12299	0.8
201.89940	0.5
217.93132	0.4
243.08458	2.8
267.15924	0.7
283.15338	1.4
313.27441	1.0
339.18033	0.8
347.09412	2.5
363.08832	0.5
365.10724	1.4
405.13574	6.6
405.18271	0.5
497.31055	5.1
501.23099	9.7
516.82220	0.5
595.41998	0.5
659.36023	5.1
663.28186	8.5
680.76080	0.5
757.47052	2.3
919.52374	100.0
920.52539	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	910.5737
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05164	1.1
67.05511	16.3
69.03432	3.4
69.07067	6.3
69.94334	1.4
69.94724	1.8
71.05004	3.4
71.08273	1.2
71.08637	13.8
73.02908	1.9
73.41390	0.6
79.05496	13.3
81.03424	31.3
81.07061	22.0
83.04988	7.6
83.08625	18.0
83.09410	0.7
85.02410	1.4
85.02908	22.2
85.06548	1.7
85.10186	9.9
91.03980	4.7
91.05484	15.5
93.07052	8.6
95.04970	13.3
95.08608	14.9
97.02904	6.4
97.06517	1.7
97.10186	5.3
99.08112	1.2
103.07534	0.6
105.07038	10.6
107.04967	2.7
107.08606	4.4
109.06530	2.2
109.10184	7.8
111.04461	1.2
111.08091	5.1
111.11728	1.6
113.06041	1.6
115.05474	1.0
119.08578	10.1
121.06464	0.9
121.10165	5.9
123.08091	1.4
123.11727	2.8
127.03912	1.9
129.07007	5.8
130.82771	0.6
131.08569	7.2
133.06528	2.0
133.10124	6.2
137.09647	1.5
142.07787	1.3
145.04951	1.9
145.10109	1.3
147.08049	2.0
147.11697	10.5
149.09602	4.1
157.10127	8.6
163.06056	2.7
165.12741	2.3
175.11147	8.2
193.12254	25.8
211.13298	42.2
212.13664	1.1
267.15918	15.6
267.27225	0.8
285.16977	57.2
285.27734	1.1
286.17487	1.3
341.30521	58.9
342.31012	1.5
533.41968	14.7
534.42517	0.8
551.43109	100.0
552.43152	4.3
695.47302	1.2
701.55096	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03891	0.8
65.20583	0.5
67.04369	0.5
67.05505	12.0
69.03406	1.6
69.07072	4.9
71.04960	1.9
71.08633	17.4
73.02926	1.2
79.05492	6.6
79.89825	0.5
81.03419	55.4
81.07059	13.2
83.04976	3.0
83.08621	17.5
85.02914	4.6
85.06534	0.9
85.10186	9.9
89.06014	1.2
91.03967	2.9
91.04955	0.7
91.05479	9.4
93.07041	5.0
95.01339	0.6
95.04354	0.8
95.04971	15.2
95.08054	1.3
95.08610	15.9
97.02904	3.3
97.06491	0.8
97.10186	4.8
99.08068	1.0
103.07570	1.2
105.07040	7.9
107.04966	3.9
107.08585	3.4
109.06509	2.0
109.10155	7.5
111.04393	1.2
111.08090	4.8
111.11699	1.0
115.05433	0.9
117.07007	0.8
119.08588	7.4
121.06469	1.5
121.10159	3.7
123.04427	1.2
123.08039	1.5
123.11696	3.7
125.09663	0.7
127.03924	1.7
129.07010	5.1
131.04893	0.8
131.08568	4.4
133.06445	1.7
133.10097	2.6
137.09593	1.0
137.13237	1.2
142.07750	1.2
145.04913	1.7
145.10101	1.3
147.04422	1.4
147.08040	1.9
147.11690	6.0
149.09607	3.8
157.10129	8.2
163.06010	2.4
163.11108	1.3
165.12770	1.4
175.11182	6.6
181.46609	0.7
193.12247	20.3
211.13277	1.0
235.13235	1.5
239.23624	1.8
249.14893	1.8
257.24774	2.2
259.13348	2.0
267.15924	100.0
268.16251	1.8
268.95032	0.6
273.14798	1.0
301.14331	1.0
309.17007	3.2
313.27368	97.2
314.27719	2.0
333.16846	1.2
393.19461	0.7
459.15204	0.7
505.38882	83.5
506.39337	4.4
523.39404	0.8
547.40015	6.4
565.41125	0.9
589.41101	0.8
601.41284	3.1
613.41083	2.3
631.42273	1.7
649.42712	1.2
785.43243	0.8
914.50854	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	12.4
69.03448	2.3
69.07064	6.0
71.01339	1.4
71.04984	2.9
71.08638	12.1
71.62315	1.9
73.02934	2.2
79.05502	9.0
81.03410	6.1
81.07067	17.2
83.01344	4.1
83.04977	5.5
83.08623	10.8
85.02908	12.3
85.06532	2.1
85.10187	8.3
87.04516	1.4
91.03957	7.4
91.05472	6.3
93.07037	13.2
95.04938	3.8
95.08615	12.4
97.02910	6.7
97.06524	2.4
97.10165	3.5
99.04472	1.6
105.07044	6.4
107.04961	4.9
107.08580	6.6
109.06505	3.1
109.10155	3.8
111.04408	1.3
111.11723	1.8
117.07029	3.1
119.08588	5.7
121.06460	1.2
121.10134	5.5
123.08065	4.8
127.03925	3.4
128.07527	1.3
131.08575	1.7
135.11717	8.0
141.45863	1.2
145.04950	2.3
145.10114	7.4
153.12740	2.3
163.05963	1.9
163.11208	10.7
173.09583	2.1
181.12196	1.8
188.75018	1.3
209.11826	3.4
227.12770	2.9
267.26828	1.5
283.15427	100.0
284.15814	1.6
341.30524	68.1
347.47009	1.3
549.41473	51.3
550.41986	2.0
610.70837	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
65.38234	0.3
67.05508	2.3
69.03431	3.4
69.07070	0.5
71.01360	0.4
71.05016	0.6
73.02914	3.5
77.43798	0.2
79.05500	2.3
80.65919	0.3
81.03414	2.8
81.07056	2.3
83.04996	0.5
83.08634	0.4
85.02917	6.1
87.04475	0.4
91.03964	3.4
91.05494	2.0
93.07057	1.8
94.75417	0.3
95.05000	1.1
95.08610	1.6
97.02908	4.8
98.20704	0.6
99.04445	0.7
105.07065	1.0
105.93425	0.3
106.88400	0.2
107.04978	0.3
107.08623	0.8
109.02880	0.6
109.10148	0.4
111.08133	0.5
113.27437	0.2
115.03983	0.4
117.89218	0.2
119.08604	0.9
121.10187	1.1
127.03944	1.8
129.06993	0.3
131.08627	0.8
133.10172	0.7
135.11708	0.5
136.39020	0.2
145.04988	0.4
147.11775	0.6
149.09683	0.4
155.01846	0.3
157.10150	0.5
175.11221	0.4
185.04239	0.7
188.71854	0.2
189.51482	0.2
193.12331	1.0
203.05283	0.8
211.13290	0.6
229.58704	0.2
230.28864	0.3
243.08472	1.9
251.12624	0.9
307.15359	0.5
335.26059	0.4
347.09491	2.1
363.09152	0.5
365.10782	1.2
405.13705	4.4
453.20343	0.3
469.20416	6.0
470.21097	0.4
519.29199	3.3
631.25775	6.0
632.26471	0.4
681.34320	3.4
747.43378	1.4
909.48212	100.0
910.48468	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	909.4815
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	3.1
69.03435	4.3
69.07070	0.7
71.01376	0.5
71.04995	0.8
72.49310	0.2
73.02920	4.5
79.05501	2.8
81.03419	2.8
81.07065	3.4
83.05003	0.6
83.08643	0.5
85.02908	7.4
85.06538	0.3
87.04477	0.3
91.03960	4.4
91.05490	2.0
93.07038	3.0
95.04958	0.5
95.08605	2.3
97.02277	0.4
97.02896	6.6
97.03497	0.4
97.06533	0.2
99.04470	1.1
103.03977	0.4
105.07076	1.0
107.04958	0.3
107.08606	1.1
109.02869	1.1
109.10206	1.0
111.04460	0.2
111.08099	0.3
115.03925	0.6
117.07031	0.4
119.08617	1.0
121.10182	1.0
127.03931	1.6
131.08624	1.0
133.10172	0.7
135.11732	0.6
145.04996	0.4
145.10193	0.4
147.11696	0.6
149.13364	0.4
157.10162	0.4
161.13297	0.4
177.84676	0.2
185.04285	0.7
193.12302	0.5
196.68944	0.2
203.05362	0.7
229.37848	0.3
243.08415	2.0
251.12621	0.7
259.07870	0.3
270.76227	0.3
335.25922	0.5
347.09457	2.0
363.09152	0.3
365.10559	1.3
403.13019	0.3
405.13693	5.1
469.20557	4.3
519.29266	5.5
631.25763	2.6
681.34546	6.3
747.42737	1.6
909.48199	100.0
910.48608	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	908.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
63.75406	0.7
67.05507	9.5
69.03416	1.4
69.07069	8.1
71.04976	1.4
71.08624	1.3
71.61890	1.2
71.62280	0.8
72.67914	0.8
73.02901	2.0
73.06545	1.6
79.05495	11.4
81.03415	14.7
81.07053	12.7
83.04963	4.3
83.08626	10.5
85.02902	11.9
87.04455	5.8
89.06031	32.3
91.03977	1.5
91.05482	10.0
93.07041	6.2
95.04967	6.8
95.08600	9.2
97.02878	3.1
97.06532	1.3
97.10173	4.8
99.08077	1.0
103.05459	5.7
105.07029	100.0
107.04941	1.4
107.08550	3.9
109.06493	1.5
109.10157	3.1
111.04420	0.8
111.08056	2.5
111.11728	0.9
113.05965	1.3
117.07005	1.1
119.08562	6.0
121.06499	2.9
121.10132	5.1
125.09627	1.1
127.03923	1.6
129.06981	4.1
130.08675	1.2
131.07074	1.7
131.08577	8.6
133.06509	1.1
133.08600	23.9
133.10094	4.0
135.11705	1.7
147.08015	2.7
147.11670	3.4
149.09613	2.9
157.10120	2.8
163.06044	1.6
165.12727	0.9
175.09758	1.5
175.11186	4.0
177.11226	8.6
193.12230	12.7
211.13293	19.6
213.58400	0.9
221.13823	1.4
225.12720	5.9
229.33989	0.8
251.14301	8.8
253.15834	2.1
265.16385	0.9
267.15903	6.6
269.15359	1.9
271.15155	1.0
285.16956	25.5
295.16812	1.0
313.17947	1.6
327.17416	2.5
329.18945	7.6
339.28949	23.2
340.29224	1.6
353.25293	0.9
373.21616	3.9
375.83176	0.8
380.46237	0.9
469.96948	0.8
477.27951	3.2
531.40289	6.5
549.41486	46.6
550.41638	1.7
738.35504	1.1
908.48859	4.3
909.45679	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	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.8
69.03435	4.0
69.07052	0.6
70.84882	0.4
70.85213	0.5
71.01361	0.6
71.04987	0.9
73.02925	4.3
79.05494	2.3
81.03423	2.2
81.03827	0.3
81.07060	2.9
83.04980	0.5
83.08633	0.6
85.02904	7.2
87.04501	0.5
90.76096	0.3
91.03960	4.2
91.05492	1.8
93.07043	2.9
95.04983	0.5
95.08595	1.7
97.02899	7.0
97.03505	0.6
97.04601	0.3
99.04477	0.9
101.02373	2.1
102.68947	0.3
103.03989	0.3
105.07043	1.1
107.08615	1.3
109.02886	0.8
109.06525	0.3
109.10229	0.5
111.04480	0.4
115.03953	0.9
117.07035	0.5
119.08600	0.8
121.10166	1.1
123.08111	0.4
124.10749	0.3
127.03922	1.8
131.08620	0.7
135.11723	1.4
136.17613	0.3
145.04979	0.3
145.10187	1.3
147.11717	0.6
163.11150	1.7
185.04321	1.0
191.10762	0.6
203.05363	0.9
209.11671	0.3
217.08879	0.4
241.41312	0.3
243.08452	2.1
249.11366	0.4
272.11041	0.3
283.15524	0.9
347.09561	2.4
365.10806	1.1
405.13773	6.0
452.19937	0.3
467.18930	7.0
519.29370	3.3
548.40033	0.4
629.24103	6.7
630.24854	0.3
632.24591	0.4
681.34442	3.2
681.69904	0.3
745.41089	1.1
907.46594	100.0
908.46826	5.8
936.24237	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
65.79082	0.6
67.05510	7.6
68.05830	0.6
69.03426	3.7
69.07077	2.0
69.61410	1.9
69.61823	2.1
71.05012	0.8
73.02915	3.7
79.05495	5.8
81.03431	1.7
81.07059	7.9
83.05008	0.8
83.08627	0.9
85.02914	6.1
85.06579	0.6
91.03964	4.3
91.05470	3.3
93.07054	5.8
95.04993	1.8
95.08613	5.7
97.02895	5.5
97.06555	1.2
98.20757	1.3
99.04493	0.8
99.08189	0.6
101.02422	1.6
103.04008	0.9
105.07054	2.4
107.08627	2.5
108.02575	0.6
109.10191	1.2
117.07043	1.0
119.08640	1.4
121.10199	2.0
127.03957	1.7
131.08644	1.1
133.10182	1.6
133.11810	0.6
135.11696	1.3
145.10190	1.1
149.13318	0.8
159.11682	0.6
163.11217	1.8
185.04276	0.9
203.05359	0.8
227.12923	1.4
243.08536	2.7
243.15950	1.9
249.10980	6.4
269.17535	1.0
287.18570	1.9
305.13718	1.2
335.26129	2.4
336.26300	1.9
347.09280	2.7
405.13715	5.5
463.22546	0.8
467.18875	4.7
503.37466	2.4
504.37756	3.5
519.29077	5.6
547.39838	1.7
548.40344	2.4
552.95392	0.6
629.24017	2.6
681.34467	7.2
745.40735	1.5
907.46552	100.0
908.46954	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	907.4657
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.1
69.03436	3.7
69.07067	0.5
70.85464	0.4
71.01353	0.6
71.04998	0.7
73.02917	3.9
79.05486	2.4
81.03419	1.6
81.07050	2.6
83.04977	0.5
83.08627	0.6
85.02906	6.9
87.04478	0.6
91.03956	3.9
91.05470	1.5
93.07051	2.4
95.04974	0.4
95.08602	2.5
97.02895	6.9
97.03500	0.4
99.04471	0.8
101.02386	1.8
103.03938	0.2
105.07054	1.0
107.04990	0.2
107.08588	1.8
109.02883	0.9
109.06539	0.3
109.10167	0.9
111.04420	0.3
115.03992	0.4
117.07032	0.4
119.08619	0.8
121.10114	1.1
123.08067	0.4
127.03905	1.5
131.08560	0.7
133.10181	0.7
135.11719	0.7
143.08615	0.3
144.55283	0.2
145.04930	0.4
145.10153	0.8
163.11215	0.8
185.04298	0.5
201.03700	0.2
203.05388	0.6
221.09514	0.2
243.08426	2.1
249.11208	0.2
257.12509	0.2
282.59732	0.3
283.15839	0.2
289.83997	0.3
335.25803	0.6
347.09418	1.9
363.09091	0.5
365.10699	0.8
405.13708	4.8
415.58521	0.2
453.43292	0.2
467.18835	3.3
519.29309	4.1
629.24353	2.7
681.34570	6.6
745.41376	0.9
907.46570	100.0
908.46783	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	906.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	1.6
67.05506	40.5
69.03419	4.3
69.07060	13.0
70.79313	3.0
71.04988	4.5
73.02905	3.6
79.05109	1.7
79.05496	18.6
81.03421	38.4
81.07060	43.6
82.85869	1.2
83.04995	8.6
83.08625	14.2
85.02907	22.6
85.06506	2.1
91.03966	6.6
91.05484	22.2
93.07050	18.7
93.60308	1.0
95.04974	13.7
95.08604	24.0
97.02918	6.8
97.06526	4.0
97.10172	4.9
99.04476	2.0
99.08054	1.5
105.07032	16.5
107.04944	3.3
107.08591	10.6
109.06475	1.8
109.10168	14.1
109.24790	1.1
111.04471	1.8
111.08067	4.8
113.06019	1.6
113.54208	1.3
117.07013	1.6
119.08579	15.0
121.10152	9.8
123.08088	3.0
123.11699	3.6
127.03915	3.0
129.06984	5.5
131.08586	7.4
133.06458	2.1
133.10158	10.2
135.11668	4.0
137.09569	1.7
137.13240	1.6
142.07776	2.0
144.26312	1.0
145.04950	2.6
145.10146	2.0
147.08058	1.9
147.11707	12.3
149.09590	3.4
149.13283	1.9
157.10139	8.5
159.11668	1.9
161.13295	2.2
163.05962	2.9
165.12752	2.3
173.11778	1.6
175.11192	7.0
184.07413	1.7
190.18520	1.2
193.12251	25.0
197.74564	1.2
211.13310	42.3
263.23676	2.2
267.15961	10.6
269.17368	2.0
285.16965	54.7
287.18512	1.3
335.25757	4.6
336.26236	1.3
337.27371	48.8
376.04089	1.3
437.33926	1.7
453.16605	1.2
460.66870	1.4
489.35773	7.1
529.38934	15.5
547.39966	100.0
548.39893	4.7
906.50885	10.1
907.46863	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	906.5422
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	3.1
67.05506	73.9
69.03412	4.1
69.07072	13.0
69.52493	7.1
69.52924	1.9
71.04997	15.8
73.02899	3.7
79.05052	1.9
79.05494	31.2
81.03395	2.7
81.07059	37.2
83.04958	3.7
83.08620	7.2
85.02913	10.5
85.06528	3.9
91.03954	6.3
91.04952	1.7
91.05482	22.4
93.06459	2.2
93.07043	39.9
95.04951	3.5
95.08039	2.1
95.08607	26.9
97.02872	5.5
97.06516	2.7
97.10137	2.7
99.08116	1.4
105.04507	1.1
105.07034	11.5
107.07959	1.4
107.08601	18.8
109.06528	1.5
109.10155	56.9
111.08060	2.9
114.34981	1.0
117.06996	4.8
119.08581	17.7
121.07481	1.0
121.10149	15.5
123.11713	2.0
127.03919	2.2
131.08569	6.1
133.10117	7.2
135.11700	16.8
137.09601	7.5
143.08527	1.4
145.04982	2.5
145.10124	7.4
147.11697	5.4
149.02373	1.4
149.13237	3.0
155.08290	1.3
155.10672	2.2
157.10080	1.4
159.11658	4.6
161.13200	3.0
163.06108	2.1
163.11186	2.8
163.14766	1.2
169.10078	1.3
173.11694	7.3
173.13126	2.7
184.07318	1.5
185.13254	1.5
193.05026	1.3
201.16371	1.5
229.14313	1.7
243.21176	1.4
255.15828	4.0
261.22183	3.0
269.17545	2.5
285.16989	2.0
287.18463	13.3
335.25815	24.5
337.27307	1.4
379.29529	1.3
471.34647	3.3
489.35760	85.3
490.35703	3.9
497.35986	1.4
503.36960	3.3
515.37292	15.9
516.37427	1.6
529.38586	2.7
547.39948	100.0
548.40106	3.9
767.89307	1.3
906.02716	1.4
906.49365	4.7
939.90417	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5264
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	2.3
67.05504	43.3
69.03416	4.6
69.07069	11.0
71.04983	4.2
73.02914	4.2
77.03937	1.3
79.05492	36.9
81.03417	48.3
81.07056	48.0
83.04982	12.8
83.08616	21.9
85.02904	31.6
85.03419	1.5
85.06522	1.9
91.03953	7.4
91.05479	33.9
91.18946	0.6
93.07044	37.5
95.04967	20.6
95.08604	28.9
95.09228	1.1
97.02894	7.1
97.06533	5.3
97.10178	4.2
99.04428	1.2
99.08109	1.9
105.04502	1.2
105.07030	23.7
107.04962	5.4
107.08594	19.3
107.09178	0.5
109.06502	4.0
109.10149	11.7
111.04446	1.6
111.08091	8.5
113.05994	2.0
115.05435	1.8
117.07029	4.3
119.08582	20.7
121.06520	1.3
121.10145	16.5
123.08099	2.4
123.11688	5.2
125.09632	1.7
127.03912	2.9
127.07565	0.9
129.05464	1.0
129.07005	8.2
131.08569	14.0
133.06511	1.9
133.10133	14.1
135.11713	7.9
137.09573	1.6
142.07758	2.4
143.08539	1.2
145.04980	2.8
145.10135	6.2
147.08060	2.8
147.11687	15.9
149.09605	5.0
149.13271	4.4
157.10136	12.9
159.11699	3.0
161.13249	3.2
163.06038	4.1
163.11197	0.7
163.14839	1.9
165.12767	2.1
171.11687	1.2
173.13225	2.3
175.11174	12.4
175.14798	2.0
177.16338	0.8
184.07375	2.3
185.13246	1.3
187.14810	1.6
189.05945	0.7
193.12236	36.3
197.13293	0.8
211.13293	59.5
227.12822	1.1
243.20975	3.2
261.22119	9.5
267.15918	13.8
285.16965	74.7
286.17331	0.8
288.09875	0.7
301.25412	1.2
303.23315	1.0
317.24826	3.0
329.74951	0.8
335.25800	63.2
336.26273	1.8
339.38635	0.9
435.32642	2.4
453.34018	1.8
471.34897	1.7
509.36084	1.2
527.37299	13.8
545.38367	100.0
546.38715	4.7
583.71906	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.3
67.05505	41.0
67.05853	1.4
69.03434	4.4
69.07066	9.5
71.04992	3.2
73.02914	3.1
77.03874	0.7
79.05492	33.5
81.03418	37.5
81.07056	40.8
82.07377	0.5
83.04981	9.2
83.08620	15.9
85.02906	22.3
85.06493	1.2
86.09669	0.5
91.03963	4.8
91.05479	28.8
92.76558	0.4
93.07046	37.3
95.04972	16.9
95.08607	27.5
97.02894	7.2
97.06522	4.3
97.10160	3.9
99.04414	0.7
99.08080	0.8
103.05414	0.6
105.04465	1.2
105.07028	22.3
107.04960	3.9
107.08593	15.4
109.06522	3.5
109.09454	0.7
109.10157	10.5
111.04440	2.0
111.08076	6.1
113.05963	1.2
113.09623	0.4
115.03942	0.4
115.05402	1.3
116.06219	0.4
117.07027	4.3
119.04951	0.6
119.08578	18.1
121.06480	0.9
121.10143	15.0
123.08073	2.2
123.11702	2.7
125.09605	1.5
126.02484	0.4
127.03948	1.9
129.07004	6.9
131.08560	12.7
133.06523	2.1
133.10133	11.6
135.07983	0.6
135.11693	7.3
137.09637	1.4
137.13187	1.3
139.11139	0.4
142.07726	1.7
143.08514	0.7
145.04921	1.6
145.10117	4.9
147.08040	1.7
147.11688	11.9
149.09634	4.0
149.12354	0.4
149.13281	3.7
151.11147	0.9
155.08533	0.5
157.08919	0.5
157.10127	8.4
159.11716	2.8
161.13284	2.9
163.06029	2.6
163.11163	1.2
163.14783	1.2
163.66393	0.3
165.12766	2.4
169.10057	0.8
171.11632	0.9
173.13235	3.5
175.09717	0.6
175.11162	8.3
175.14778	0.8
177.16321	0.9
180.08904	0.5
183.11594	0.6
183.13957	0.4
184.07317	0.9
185.13264	0.4
187.14775	1.3
189.11227	0.5
189.16388	0.5
193.12250	24.9
201.16290	0.4
211.13290	34.4
212.13622	0.6
227.12762	0.9
232.76941	0.4
233.22551	0.4
240.02664	0.4
243.21072	2.7
249.14687	0.5
252.81720	0.3
256.98911	0.4
261.22141	9.6
267.15924	10.8
279.23248	0.6
283.15323	0.6
285.16959	39.8
286.17365	0.9
301.25229	1.0
303.23163	0.4
317.24774	2.0
335.25803	66.6
336.26172	1.6
381.75232	0.4
417.31888	0.7
418.37009	0.4
421.48380	0.5
435.32690	1.6
453.33719	2.4
471.34860	0.9
509.36493	0.7
527.37341	12.5
528.37927	0.7
545.38379	100.0
546.38782	4.4
563.39453	0.4
689.42487	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.5284
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.4
69.03431	3.5
71.01370	0.8
71.04992	1.9
71.08633	1.3
71.62038	1.5
73.02917	3.0
79.05452	0.9
81.03424	1.7
81.07063	2.5
83.08606	1.0
85.02919	5.3
91.03971	3.6
95.08608	1.9
97.02910	4.9
99.04485	0.9
101.02364	2.0
103.03831	0.8
105.07022	1.3
105.86475	1.0
107.08610	1.1
109.02862	0.9
109.10139	1.1
127.03918	2.3
183.06834	0.8
185.04520	0.8
191.38696	0.7
243.08333	1.7
245.97289	0.8
247.08401	0.7
248.81805	0.8
260.75754	0.8
347.09641	2.4
365.10718	1.3
373.95425	0.8
402.76459	0.9
405.13651	6.1
434.31100	0.8
485.23880	4.0
497.30682	6.4
506.42422	0.9
523.91010	0.9
629.55719	0.9
647.29065	4.2
659.35925	7.7
741.47089	1.6
903.52838	100.0
904.53021	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	902.5109
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.7
67.05506	36.2
69.03429	1.4
69.07072	10.7
71.04989	2.9
71.62276	1.2
73.02927	1.4
79.05050	1.8
79.05497	31.4
81.03400	3.4
81.07057	35.3
83.04977	4.4
83.08637	8.6
85.02915	5.0
85.06546	1.4
89.64472	0.7
89.98198	0.7
91.03933	2.2
91.05481	15.0
93.07049	42.8
95.04977	7.2
95.08608	42.3
97.02897	4.2
97.06544	5.0
97.10163	1.8
97.20926	0.9
99.04458	3.0
99.08083	0.8
103.05460	1.0
105.07022	10.5
107.04972	5.2
107.08598	26.9
109.02930	0.8
109.06518	1.5
109.10152	8.8
111.04436	1.4
111.08070	1.4
115.05454	1.0
117.07024	7.9
119.08589	12.9
121.06517	3.8
121.10153	18.2
123.08076	1.1
123.11712	2.4
125.03935	0.9
125.05987	1.3
125.09632	0.8
127.03948	1.0
130.07755	0.9
131.08569	5.5
133.10155	7.4
135.08121	0.9
135.11703	36.4
139.07536	1.1
143.08580	0.9
145.05043	1.0
145.10124	21.0
147.11668	3.6
149.13258	2.3
159.11737	2.8
161.13307	1.7
163.06050	0.8
163.09816	1.9
163.11188	38.8
163.14827	1.7
173.13205	1.8
181.12234	5.9
187.14896	1.2
227.12790	41.6
243.21156	2.3
244.72853	0.9
261.22098	8.3
283.15411	55.0
284.15729	1.4
317.24704	2.2
335.25809	100.0
336.26123	2.6
543.36847	97.2
544.37103	4.3
561.38135	0.9
754.91748	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	2.2
67.05505	41.1
68.05784	0.8
68.16151	0.7
69.03411	3.3
69.06721	0.8
69.07070	10.2
69.59364	4.1
71.01329	0.7
71.04984	3.4
71.08635	0.9
73.02915	4.9
79.05495	37.1
81.03423	9.8
81.07057	44.9
82.42086	0.6
83.01340	6.0
83.04979	10.3
83.08621	12.1
85.02908	19.9
85.06532	1.1
91.03963	11.6
91.05479	22.6
93.07047	42.2
95.04976	7.7
95.08607	29.0
96.04468	0.9
97.02888	10.0
97.06528	5.1
97.10172	5.3
99.04462	3.5
99.08087	1.1
99.97171	0.7
103.05460	0.9
105.04526	1.2
105.07031	16.9
107.04964	6.3
107.08595	28.1
109.02835	0.7
109.06509	6.7
109.10158	13.2
111.04420	3.0
111.08087	2.9
115.03940	0.7
115.05407	0.9
117.07013	11.4
119.08585	15.5
121.06514	3.3
121.09299	1.2
121.10146	19.2
123.04450	0.7
123.08070	8.6
123.11729	3.7
125.05969	1.2
125.09618	4.6
127.03909	4.3
129.07008	2.7
130.07761	1.6
131.08566	9.7
133.10132	9.1
135.08061	1.8
135.11699	19.1
137.09587	1.4
137.13203	1.0
139.07501	1.1
143.08549	1.7
144.06494	0.8
145.04950	5.0
145.06473	1.2
145.10129	19.5
147.08015	2.3
147.11702	4.6
149.13261	6.0
150.54414	0.7
151.11226	0.9
153.12718	2.9
155.08505	1.5
157.10129	1.4
159.11732	4.8
161.13254	4.1
163.06026	5.1
163.11186	23.1
163.14774	3.4
171.11650	1.3
173.09622	2.8
173.13222	3.9
175.14839	1.4
177.16362	1.4
179.14336	0.9
181.12245	3.7
183.11766	0.7
185.13211	0.9
187.14812	2.7
189.11185	3.0
191.10641	2.9
193.12247	1.8
199.14847	1.2
201.16507	0.8
209.11726	6.6
211.13260	1.0
227.12793	11.5
243.21170	4.7
259.20593	2.1
261.22141	13.7
267.15897	1.3
273.22031	0.8
277.21802	0.8
279.23547	0.9
283.15399	100.0
284.15765	1.9
285.16913	1.0
299.23602	4.9
317.24753	4.9
333.24277	2.1
335.25809	66.0
336.26050	2.0
433.30933	2.4
451.32126	4.1
469.33197	3.2
487.33972	1.6
515.37225	1.0
525.35541	5.4
543.36835	58.1
544.37054	2.5
561.38019	5.2
635.35126	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03939	1.9
67.05506	40.2
67.05867	2.0
69.03446	1.9
69.07068	8.6
71.05006	1.2
71.62115	1.0
72.12071	0.8
73.02924	1.3
79.05493	47.4
81.03407	4.5
81.07059	41.4
83.04980	7.6
83.08616	5.1
85.02902	3.4
85.06540	2.5
91.03958	2.5
91.05479	33.8
93.07045	46.7
95.04967	12.9
95.08607	28.8
97.02901	2.0
97.06512	2.4
97.10165	1.7
105.04530	1.1
105.07037	25.0
106.50379	0.8
107.04951	3.4
107.08583	13.9
109.06499	3.2
109.10159	9.0
111.08118	1.1
115.05495	1.4
117.06992	7.0
119.08589	16.6
121.06477	1.0
121.10147	10.4
123.08083	4.3
123.11740	2.0
127.03909	1.3
129.07005	8.1
131.08571	5.3
133.10129	7.4
135.11708	6.0
141.13815	0.9
143.08595	6.0
145.10133	7.9
147.08020	1.0
147.10608	1.8
147.11693	19.9
149.13292	2.5
159.11649	2.2
161.09613	2.6
161.13284	5.7
163.05995	0.9
163.14853	1.0
171.11685	14.5
173.13263	1.4
181.50763	0.9
189.12741	5.7
206.68394	1.0
207.13809	14.4
243.21022	1.6
261.22180	4.3
279.15936	2.1
281.17490	53.6
317.24805	1.2
335.25806	43.5
335.29855	2.1
336.26294	0.9
541.38916	100.0
542.39197	4.0
559.39612	1.8
701.55420	0.9
789.29419	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03905	2.1
67.05502	46.7
67.06026	1.4
69.03428	4.5
69.07065	12.6
70.95177	0.5
70.95495	0.7
71.01340	1.1
71.04993	3.0
71.08581	0.9
73.02912	4.4
76.32296	0.5
77.03897	0.8
79.05490	44.7
81.03416	10.5
81.07053	53.0
82.07373	0.6
83.01335	7.2
83.04984	10.1
83.08617	13.5
85.02899	21.9
85.06499	1.5
91.03954	11.3
91.05476	26.6
93.07043	51.3
95.04972	8.9
95.08604	37.6
96.04460	0.7
97.02894	12.2
97.06534	4.6
97.10159	5.8
99.04445	3.3
99.08029	0.8
100.85496	0.5
103.05453	0.9
105.04495	1.0
105.07027	20.6
107.04952	7.1
107.08589	29.6
109.02832	1.4
109.06516	7.6
109.10152	16.8
111.04401	2.1
111.08096	3.0
111.11629	0.5
113.09596	0.6
115.03905	0.9
115.05505	0.6
117.06226	0.5
117.07018	10.0
119.06070	0.6
119.08578	14.5
121.06512	2.3
121.10141	22.4
123.07306	0.7
123.08075	7.5
123.11708	4.2
125.05943	1.6
125.09600	3.6
127.03926	4.4
129.06984	2.6
130.07755	0.9
131.04910	0.6
131.08560	12.3
133.10127	11.0
135.04388	0.5
135.08115	2.7
135.11691	21.1
137.09581	1.3
137.13223	1.7
139.07550	0.6
139.11131	0.6
141.06955	0.6
142.95477	0.5
143.08577	2.2
145.04956	5.3
145.06071	0.8
145.06274	0.7
145.10115	21.2
147.08023	2.7
147.11678	5.9
149.05904	0.5
149.09560	1.8
149.13240	7.2
151.11166	1.2
151.14804	0.9
153.12749	3.4
155.08511	2.0
156.09384	0.5
157.06493	0.5
157.10100	2.0
159.11702	5.9
161.13281	4.9
163.06003	6.8
163.11182	21.0
163.14798	4.4
165.12708	0.5
169.10051	0.7
171.11687	1.2
173.09596	3.1
173.13237	4.8
175.11183	0.6
175.14780	1.9
177.16382	1.0
181.12219	3.7
183.11638	0.5
185.13177	0.9
187.14835	3.5
189.11258	2.4
191.10661	3.0
193.12209	1.5
197.13171	0.7
201.16414	1.1
209.11719	6.3
211.13264	2.1
215.17751	0.5
227.12773	11.7
233.22629	0.8
239.48125	0.5
241.19556	1.1
243.21065	5.8
245.13760	0.6
248.98511	0.5
259.20541	2.7
261.22125	20.6
265.14404	0.6
267.15857	1.5
273.22232	0.6
277.21594	1.6
279.22913	0.7
283.15393	100.0
284.15744	1.8
285.16943	1.0
297.22205	1.0
299.23691	5.3
315.23190	0.5
317.24722	6.5
333.24176	2.8
335.25784	98.5
336.26196	3.0
415.29984	0.6
423.32578	0.8
433.30951	2.5
451.32187	5.0
469.33224	3.6
470.86804	0.5
485.32712	0.6
487.34052	1.7
499.34235	0.7
507.34848	0.7
515.37274	1.6
517.34796	0.8
525.35815	8.3
543.36798	99.3
544.37152	4.3
561.37781	5.5
767.81000	0.6
830.62317	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
64.22384	0.6
71.61755	1.0
85.02901	0.8
87.14680	0.6
92.58120	0.6
95.01334	1.0
95.08611	0.9
105.07029	1.0
109.02811	1.0
109.74632	0.7
113.02380	3.0
127.03878	0.7
135.04340	1.2
147.04424	0.8
149.09616	1.1
149.84383	0.6
153.01808	4.8
160.61217	0.6
167.07108	0.8
189.12776	0.8
198.78529	0.6
207.13797	3.3
220.13553	0.7
239.05510	0.8
257.06580	1.5
287.05496	100.0
288.05902	2.0
419.09741	38.0
912.30927	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5733
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	35.9
69.03442	1.0
69.07072	6.2
70.78980	0.7
71.04998	14.9
71.08633	16.4
71.61186	1.1
73.02917	2.5
78.80116	0.7
79.05492	6.6
81.03416	1.0
81.07057	56.1
83.04977	1.8
83.08623	9.7
85.02904	7.0
85.06541	7.8
85.10183	10.5
91.03982	4.3
91.05479	10.8
93.07045	8.7
95.08032	1.2
95.08610	17.9
97.02899	4.8
97.06554	1.5
97.10165	4.8
99.04468	1.1
99.08117	1.0
105.07031	4.5
107.08585	6.3
109.02905	0.8
109.06530	1.0
109.10163	10.5
111.08106	1.0
111.11768	0.9
117.05548	0.7
117.06998	1.6
121.10168	2.7
123.11716	12.3
127.03925	2.0
127.92792	0.8
131.08572	1.8
133.10136	10.6
135.11690	1.3
137.13286	0.9
141.04578	0.8
145.04967	2.4
149.13284	2.7
151.11200	5.3
159.11710	2.0
163.06068	1.7
165.16548	0.7
169.12239	1.1
177.12747	1.1
181.03810	0.8
183.13823	2.3
187.13277	3.8
195.13766	1.1
239.23790	2.0
257.17584	1.5
269.17499	4.8
281.24927	0.9
301.20096	12.7
313.27399	14.1
348.45416	0.7
362.73422	1.0
392.74091	0.7
424.58286	0.7
481.38913	65.3
482.39319	2.1
495.40857	2.4
507.40445	5.6
529.35901	0.8
539.43073	100.0
540.43335	5.1
686.09442	0.9
798.88458	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	0.3
65.36604	0.3
67.05506	3.5
69.03429	3.8
69.07057	0.7
71.01357	0.5
71.04998	0.5
71.65984	0.3
73.02921	3.9
79.05486	2.6
81.03413	1.6
81.07063	3.6
83.08635	0.6
85.02902	6.5
87.04485	0.6
91.03952	3.8
91.04436	0.3
91.05496	1.4
93.07048	3.2
95.08604	2.8
97.02895	6.2
98.21432	0.7
99.04473	1.0
101.02364	1.9
105.07085	1.0
107.08580	1.4
109.02896	1.1
109.10187	0.8
111.08061	0.3
115.03945	0.7
117.07015	0.5
119.08620	0.8
121.10180	1.0
127.03893	1.9
131.08563	0.8
133.10172	1.1
135.11707	0.8
145.04990	0.6
145.10222	0.3
149.13289	0.6
160.49332	0.3
185.04320	0.9
188.33511	0.3
203.05353	1.1
235.13051	0.6
243.08398	1.9
246.00626	0.3
269.17587	0.4
282.31076	0.3
308.34653	0.3
335.25809	0.7
347.09470	2.0
365.10904	1.0
393.42358	0.3
405.13712	5.2
423.18344	0.3
425.21906	0.3
453.21011	3.9
519.29327	4.7
615.26239	3.6
681.34546	6.2
731.43561	1.1
893.48663	100.0
894.48871	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	885.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
62.37396	0.3
65.38561	0.3
67.05501	1.3
69.03434	4.0
69.07079	0.5
71.01355	0.7
71.04996	0.5
71.08641	1.2
73.02913	4.7
79.05480	0.9
81.03437	2.1
81.07069	1.4
83.01323	0.4
83.04979	0.7
83.08627	0.9
85.02908	6.7
85.10197	0.7
87.04491	0.5
88.68988	0.2
91.03965	3.5
91.05478	0.8
93.07051	1.3
95.04942	0.3
95.08608	1.4
97.02893	6.5
99.04453	1.6
101.02371	2.3
103.03935	0.6
105.07008	0.4
107.04953	0.4
107.08607	0.9
109.02882	1.0
109.10194	0.6
115.03962	0.6
119.08608	0.6
121.10126	0.4
127.03910	2.0
135.11684	0.9
145.04962	0.4
145.10129	0.8
163.11234	1.1
166.88600	0.3
173.09575	0.3
182.41682	0.3
185.04317	1.1
203.05408	0.7
243.08394	1.9
248.09261	0.3
249.11064	0.5
265.22461	0.3
297.06979	0.3
313.27408	0.5
347.09497	2.0
363.08997	0.5
365.10706	1.0
405.13687	5.7
467.18845	7.3
497.30838	4.0
561.38068	0.4
629.24213	6.8
629.34515	0.5
659.35999	4.0
723.42957	1.6
885.48120	100.0
886.48309	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	886.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.4
65.16981	0.9
65.37483	0.8
67.05508	16.5
69.03440	4.6
69.07064	4.2
69.38375	7.3
69.38761	1.8
71.04979	3.3
73.02902	1.3
79.05501	17.9
81.03423	76.1
81.07059	18.6
83.04982	7.8
83.08625	20.2
85.02909	11.0
85.06532	1.9
91.03925	2.6
91.05489	19.7
93.07051	13.5
95.04972	24.2
95.08610	8.1
97.02914	4.3
97.06522	3.9
97.10175	6.3
98.20768	1.9
99.08102	1.0
105.07046	17.9
107.04941	7.5
107.08605	6.7
109.06537	4.7
109.10152	2.9
111.04431	2.0
111.08084	7.7
115.05482	1.4
117.07031	3.1
119.04975	1.3
119.08585	14.2
121.06497	4.2
121.10156	7.4
123.04438	1.4
123.08075	2.9
123.11678	1.3
125.09630	4.4
127.03920	1.1
128.06250	1.0
129.07014	11.7
131.04980	1.3
131.08571	9.5
133.06487	3.2
133.10114	7.2
135.08020	2.4
137.05972	1.7
137.09613	1.4
142.07780	1.7
143.08549	1.9
145.06500	5.1
145.10109	3.5
147.08032	3.5
147.11694	10.8
149.09619	5.5
151.11113	1.3
155.08563	1.2
157.06532	1.3
157.10146	12.8
159.08113	1.1
161.05966	1.3
161.09669	1.2
163.11218	1.5
165.12773	2.3
169.10109	1.0
171.08032	1.2
171.11731	1.1
175.11169	11.7
181.04953	1.5
189.11238	1.6
193.12250	32.3
195.11743	1.9
199.11018	0.8
205.12245	1.0
209.50471	0.8
211.13284	13.9
217.29576	0.8
223.13211	1.0
225.12663	1.1
226.10126	0.8
227.12714	1.3
229.14381	2.5
237.12807	1.0
249.14835	1.9
255.13802	1.8
267.15933	100.0
268.16235	2.5
273.14883	6.2
285.16992	12.1
287.16470	1.3
309.16858	1.0
339.23038	1.4
341.20972	2.4
349.21606	3.1
357.24445	0.9
367.22635	8.9
385.23843	10.1
403.24698	3.1
428.88541	0.8
433.25848	16.2
441.26428	7.6
459.27466	80.6
460.27676	2.8
477.28519	46.6
478.28894	1.9
501.28232	1.8
509.31519	1.3
519.29193	3.1
543.29089	1.1
573.29950	1.0
585.30322	1.6
603.31415	1.7
621.32751	1.8
637.19397	0.9
899.73663	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5312
Annotation	Unknow
Peak:m/z	Relative Intensity
63.91500	0.6
64.56626	0.6
65.03933	2.4
67.05506	57.7
69.03417	2.0
69.07070	16.6
71.04986	3.6
71.05602	1.3
71.08624	0.8
73.02916	4.2
77.03926	0.9
79.05492	38.3
80.69681	0.7
81.03428	3.1
81.07057	66.7
83.04989	3.4
83.08617	9.5
85.02912	12.3
85.06544	2.4
85.19691	0.6
87.14471	0.7
91.03954	7.8
91.05482	21.5
93.07048	47.9
95.04985	4.7
95.08608	34.9
97.02896	6.4
97.06525	5.7
97.10176	2.7
99.04444	1.2
99.08067	1.8
105.04533	1.5
105.07020	12.1
107.04957	1.0
107.08599	29.0
109.06517	1.6
109.10153	11.1
111.08067	4.1
117.07024	8.7
119.08587	8.6
121.06499	1.3
121.10152	15.9
123.08038	1.2
123.11710	5.4
127.03933	3.6
129.07092	0.9
131.08588	9.6
133.10133	13.9
135.08061	1.5
135.11690	11.9
137.13269	0.9
143.08566	0.8
145.04976	3.7
145.10110	4.0
147.11688	4.7
149.09756	1.2
149.13268	15.1
151.11163	1.1
157.10101	1.4
159.11684	8.7
161.13280	3.9
163.06029	3.5
163.14799	2.2
169.10165	0.8
171.11624	0.7
173.13260	2.1
175.01978	0.8
175.14886	1.2
177.12721	2.3
177.16455	0.8
179.14461	0.7
183.11699	0.9
185.13303	1.0
187.14830	1.4
195.13777	9.1
213.14883	1.4
215.64386	0.7
243.21165	2.2
251.16368	0.7
253.17928	0.7
261.22131	9.7
267.15948	1.9
269.17484	63.9
270.17969	1.6
317.24802	1.9
333.24301	0.7
335.25800	71.0
336.26065	2.2
419.32996	0.8
421.29224	0.8
437.34018	3.3
455.35413	1.6
511.38034	1.6
529.38904	100.0
530.39288	4.4
547.39691	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	882.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17671	0.7
67.05502	12.5
69.03419	2.3
69.07081	7.4
70.06623	0.7
71.01146	1.6
71.04980	1.7
71.08272	1.3
71.08636	17.4
73.02901	1.6
79.05492	11.0
81.02970	1.5
81.03419	25.3
81.07058	19.8
83.04984	7.0
83.08619	16.8
85.02905	19.0
85.10188	10.2
87.04443	1.4
89.06024	2.1
91.03943	4.3
91.04948	1.2
91.05482	15.0
93.07053	7.9
95.04973	10.3
95.08044	1.2
95.08608	18.3
97.02895	5.2
97.06527	2.2
97.10158	4.6
99.08094	1.1
105.07030	13.3
107.04948	2.8
107.08607	4.1
109.06523	1.3
109.10165	6.1
111.04433	0.9
111.08053	5.6
111.11774	0.9
113.05984	1.4
117.07007	1.0
119.08582	10.3
121.10126	6.1
123.08020	0.9
123.11686	3.2
127.03898	1.4
129.07002	5.8
131.08556	5.3
133.06479	1.5
133.08618	0.9
133.10144	6.5
135.11685	1.3
145.04878	1.7
147.04373	0.9
147.08038	1.9
147.11688	6.2
149.09604	2.9
155.08621	0.9
157.10133	7.5
163.06033	1.2
163.11151	1.0
165.12709	1.1
175.11169	5.8
177.11296	0.9
183.43147	0.7
184.07190	0.8
193.12245	19.3
211.13286	23.1
211.15245	1.4
239.23720	2.3
249.18428	2.1
251.93478	0.8
257.24869	1.6
267.15973	11.2
285.16959	31.5
313.27374	61.9
314.27582	1.4
369.80408	0.9
501.39185	3.0
505.38919	15.1
519.40240	1.1
523.39960	100.0
524.40479	4.0
604.18384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03926	0.7
67.05506	15.8
69.03431	3.9
69.07071	7.3
71.01341	0.4
71.04999	2.8
71.08633	14.3
71.61971	0.4
71.62332	0.5
73.02922	3.1
75.61544	0.4
79.05497	10.9
81.03420	33.5
81.07058	19.7
83.04985	9.6
83.08624	17.7
85.02907	22.0
85.06543	0.9
85.09703	0.5
85.10179	9.1
87.04449	0.9
89.06018	1.0
91.03964	5.9
91.05479	16.7
93.07047	7.8
95.04971	13.0
95.08610	16.3
97.02896	6.8
97.06503	2.1
97.10175	4.7
99.04449	0.6
99.08086	0.8
105.06396	0.7
105.07033	12.2
107.04971	3.4
107.08581	4.1
109.02838	0.5
109.06519	2.3
109.10156	6.8
111.04401	1.7
111.08078	5.8
111.11688	0.5
113.05979	1.7
115.03853	0.5
115.05458	1.2
117.06976	1.2
119.08578	9.8
121.06500	1.0
121.10133	6.3
123.08024	1.4
123.11692	3.5
125.09615	0.9
127.03926	2.5
129.05487	0.6
129.07002	6.3
131.08583	5.7
133.06464	2.0
133.09247	0.6
133.10132	6.6
135.11729	0.6
137.09596	1.1
142.07764	1.4
145.04913	2.6
145.10086	1.2
147.08018	1.7
147.11700	9.5
149.09636	3.3
157.10127	9.3
163.06082	2.6
165.12743	2.0
175.11182	8.5
193.12248	24.9
199.02953	0.5
211.13300	42.5
239.23665	1.6
249.14729	0.5
249.18517	1.6
257.24826	1.3
267.15924	13.8
285.16965	57.8
286.17273	0.7
313.27368	60.2
314.27798	1.3
393.90402	0.5
483.38531	0.6
501.39377	1.8
505.38950	13.1
523.39960	100.0
524.40533	3.7
667.44775	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02673	1.0
61.02926	9.7
65.03906	1.0
67.05167	0.9
67.05503	11.7
69.03434	1.3
69.07072	7.2
71.01347	1.0
71.05013	1.9
71.08269	1.4
71.08630	18.5
71.61053	1.1
73.02915	3.8
76.27705	0.7
79.05499	10.0
81.03441	4.3
81.07059	18.4
83.01331	5.2
83.04977	4.7
83.08621	11.9
85.02908	13.3
85.10175	10.0
91.03956	6.5
91.05482	5.7
93.07052	13.7
95.04968	2.7
95.08609	18.5
97.02905	6.4
97.06511	2.8
97.10180	5.1
99.04458	2.3
103.07576	1.2
105.07049	4.6
107.04953	3.5
107.08601	7.1
109.02928	1.0
109.06518	2.6
109.10149	8.7
111.04435	1.2
111.08113	0.9
111.11665	0.8
115.03921	1.0
117.06996	3.2
119.08578	3.7
121.06504	2.7
121.10160	5.0
123.08056	4.5
123.11689	3.6
125.09568	1.0
127.03920	2.3
127.84212	0.7
129.06990	1.1
131.08574	1.2
135.11723	8.4
145.04967	3.1
145.10124	10.7
147.08054	1.2
149.06027	0.9
153.12701	1.5
155.08516	0.9
163.05998	3.0
163.11180	17.3
173.09659	1.2
175.06819	0.8
181.12233	3.0
184.79079	0.8
191.10666	1.8
209.11728	4.1
227.12837	6.7
239.23755	2.3
257.24652	2.0
283.15396	86.2
284.15689	1.0
313.27368	89.8
314.27646	2.5
521.38385	100.0
522.38727	3.3
623.60785	0.8
650.70135	0.8
668.12042	0.9
735.45520	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5265
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	7.2
67.05508	10.4
69.03423	2.2
69.07075	5.1
69.24252	0.6
71.04990	1.9
71.08637	14.3
71.61322	0.9
73.02903	2.7
75.39530	0.7
79.05490	8.6
81.03435	5.1
81.07063	15.6
83.01340	4.4
83.04984	5.9
83.08624	8.4
85.02910	12.6
85.10189	6.8
89.06042	1.7
91.03960	7.2
91.05507	5.7
93.07047	10.3
95.04939	3.3
95.08611	12.5
97.02895	6.7
97.06532	2.2
97.10164	2.3
99.04429	2.2
100.05998	0.6
105.07056	3.3
107.04959	4.7
107.08608	6.5
109.02845	0.9
109.06516	2.9
109.10158	4.5
111.04427	0.9
115.03959	0.9
117.07007	4.0
119.08589	4.1
121.06528	2.3
121.10147	4.3
123.08067	4.6
123.11751	0.8
125.05930	1.0
125.09563	0.8
127.03925	2.8
131.08517	1.4
133.10127	1.1
135.08052	1.5
135.11705	6.4
145.04964	3.5
145.10135	9.1
147.07991	1.2
153.11438	0.7
153.12726	1.7
163.06046	3.6
163.11194	12.6
173.09650	2.2
181.12234	1.3
209.11682	4.1
227.12842	1.9
239.23730	1.6
257.24802	1.5
283.15417	100.0
313.27380	69.5
314.27603	2.0
332.56799	0.8
521.38397	48.9
522.38629	2.4
880.48254	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	9.1
65.03924	3.0
67.05505	52.6
69.03416	3.5
69.07071	15.9
71.01352	1.7
71.04979	2.9
73.02921	2.0
73.43909	1.1
79.05494	45.2
80.05817	1.0
81.03397	2.7
81.07056	41.4
83.04535	1.7
83.04987	21.9
83.08627	7.0
85.02909	9.8
85.06538	3.8
91.03963	5.4
91.05477	18.6
93.07043	60.0
95.04955	4.0
95.08604	32.4
97.02889	5.7
97.06532	10.8
97.10142	6.2
99.08097	1.6
105.04502	1.9
105.07023	12.8
107.04961	2.1
107.08596	36.2
109.02861	1.1
109.10161	12.6
111.08095	5.4
117.07011	6.5
119.08588	11.4
121.06490	1.1
121.10136	17.3
123.11685	4.4
125.09648	2.4
127.03902	1.4
129.06998	1.2
131.08554	5.7
133.10132	9.3
135.11693	45.8
137.09612	1.1
139.07541	1.1
143.08577	1.4
145.04990	1.8
145.10135	12.5
147.11688	4.3
149.13248	3.8
153.12744	10.4
157.10147	1.2
159.11664	4.5
161.13275	3.4
163.06015	2.2
163.11169	5.4
163.14830	2.5
173.13258	3.9
175.14868	1.7
181.12236	14.6
184.07419	1.4
185.13031	1.0
185.43820	0.9
189.11269	2.2
199.13301	1.4
227.12733	3.0
229.33992	0.9
243.15807	1.0
243.21043	1.9
253.14284	1.0
255.15923	100.0
256.16205	1.9
257.70093	1.1
261.22137	9.5
289.25256	1.4
291.23068	1.4
306.87555	1.1
317.24673	2.9
335.25803	64.3
336.26044	2.2
358.35611	1.0
405.31824	1.8
423.32474	4.2
441.33597	2.0
459.34711	1.4
497.36011	1.7
510.52930	1.0
515.37347	91.6
516.37555	5.0
533.38422	6.2
869.08362	1.3
874.44403	2.8
875.47723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5278
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	3.2
67.05502	4.4
69.03448	2.0
69.07084	1.7
73.02926	3.1
78.60233	0.6
79.05485	4.5
80.67801	0.6
81.03419	1.5
81.07054	4.5
83.08601	0.9
85.02895	3.4
86.09736	2.1
91.03975	2.5
91.05481	5.2
93.07050	3.9
95.04955	0.7
95.08641	2.5
97.02907	2.9
98.20670	0.9
101.02421	1.0
105.07053	2.9
107.08615	3.4
117.07031	1.5
119.08633	2.5
121.10190	0.9
125.00050	1.2
127.03876	1.1
131.08615	1.6
133.10173	1.9
135.11740	1.2
145.10126	1.1
147.11731	1.2
184.07352	4.6
186.04369	0.7
202.66820	0.6
223.46454	0.7
243.08310	3.2
301.09116	1.8
355.14136	0.6
365.22952	3.4
465.22040	0.8
504.86914	0.9
535.28748	4.7
541.22589	1.4
583.31036	5.0
611.30286	0.7
655.33960	0.9
791.42517	2.3
825.61206	0.8
877.52789	100.0
878.53046	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	874.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02935	5.2
61.31516	0.8
65.03944	1.9
67.05508	41.9
69.03419	2.6
69.07077	12.9
71.01352	1.6
71.04986	3.5
71.50885	1.7
73.02907	2.4
79.05500	37.4
81.03423	3.0
81.07061	34.5
83.04987	11.5
83.08630	5.2
83.65564	0.8
85.02915	7.1
85.06552	2.5
91.03959	2.5
91.05484	18.7
93.07050	46.4
95.04996	3.8
95.08612	22.9
96.01384	0.9
97.02903	3.8
97.06535	9.5
97.10168	5.0
99.04443	0.9
99.08124	1.9
105.07038	9.9
107.04969	1.3
107.08597	29.8
109.06536	1.5
109.10168	10.4
111.08080	2.1
116.35508	0.8
117.07046	5.0
119.08603	7.7
121.06499	1.0
121.10153	13.9
123.11702	2.8
125.09604	1.2
127.03890	1.4
129.07037	1.3
130.07791	1.2
131.08572	6.0
133.10165	6.0
135.11703	31.9
137.09637	1.0
137.13297	0.9
145.10141	8.5
147.11664	3.8
149.13289	3.8
153.12775	5.0
155.04225	0.8
159.11726	2.6
161.13283	2.6
163.06056	1.6
163.11255	4.6
163.14859	1.0
173.13271	2.9
175.14841	1.0
181.12199	7.5
183.11534	1.1
184.07426	1.9
187.14821	2.0
227.12903	1.3
243.21181	3.0
253.14314	1.9
255.15932	58.9
261.22217	11.3
317.24884	1.5
326.01370	0.9
335.25830	53.6
336.26154	1.3
423.32632	2.2
441.33524	1.8
515.37366	100.0
516.37927	4.5
533.38116	3.8
576.39673	0.9
675.88702	0.9
874.44519	2.8
875.46362	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	866.5474
Annotation	Unknow
Peak:m/z	Relative Intensity
60.59856	0.7
61.02927	7.5
61.17804	0.8
64.03883	0.8
65.03930	1.5
67.05508	30.8
69.07071	12.7
70.19292	2.5
71.04979	2.6
71.08639	14.6
73.02914	2.7
79.05498	15.0
81.03406	1.3
81.07061	42.8
82.09397	0.7
83.04972	3.2
83.08622	11.4
85.02904	10.1
85.06531	2.4
85.10187	10.6
85.10652	1.4
91.03951	5.5
91.05483	8.5
93.07050	27.2
95.04977	2.5
95.08038	1.3
95.08611	19.4
97.02909	4.4
97.06532	4.3
97.10147	3.4
98.37546	0.9
99.04431	0.9
99.08088	1.6
99.11695	0.8
103.97398	0.8
105.07029	3.4
107.08603	14.5
109.10161	7.0
111.08089	3.2
111.11700	1.3
117.07013	3.6
119.08585	1.7
121.10136	9.0
123.11710	4.6
127.03929	1.8
131.08569	4.2
133.10081	3.9
135.11674	4.7
139.11246	1.1
145.04947	2.0
149.13264	18.9
159.11674	7.3
163.06039	1.9
177.12749	3.5
184.07281	1.9
195.12244	1.0
195.13737	5.1
239.23647	1.0
269.17480	82.3
270.17831	1.8
311.85672	0.9
312.97604	0.8
313.27371	50.1
314.27591	1.2
507.40475	100.0
508.41104	4.4
866.48853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.9
67.05499	0.9
69.07013	0.6
70.51810	0.6
70.88838	1.8
79.05500	3.5
79.24707	0.7
81.03408	1.5
81.07055	1.2
85.02889	1.8
91.05498	3.3
95.04959	2.6
97.02878	0.6
97.06521	0.6
103.05433	3.0
105.07001	1.9
107.04958	7.4
109.02855	0.8
109.06516	1.7
111.04457	0.9
115.05466	2.0
117.06994	1.9
119.04924	1.6
123.04449	1.3
124.05202	1.2
124.39056	0.7
125.05989	1.2
127.05434	0.7
128.06308	1.2
129.06987	4.4
131.04913	2.8
131.08577	1.7
132.05687	1.1
133.06487	1.4
137.05972	3.3
142.02661	0.6
143.04865	0.9
144.05695	1.6
145.06479	3.8
147.04425	2.1
148.05179	0.8
149.06039	0.8
152.04666	0.7
153.05531	1.9
155.06013	0.9
156.05701	1.6
157.06479	2.2
158.07297	2.2
159.04366	1.2
159.08028	2.1
160.05153	0.9
161.05972	1.6
161.09520	0.9
163.03934	0.9
163.07529	1.4
165.05484	1.8
165.06996	1.1
167.07050	18.1
171.06566	1.1
171.08040	1.1
173.05997	4.2
173.09665	0.8
174.06758	4.5
175.07550	1.8
177.05426	2.5
178.07758	0.9
179.07092	1.2
179.08574	1.0
181.04951	27.7
184.05090	0.9
185.05907	1.1
187.07532	2.8
189.07076	2.1
189.09105	5.2
190.06267	1.0
190.07843	0.9
191.07030	5.6
191.08565	2.0
191.10696	0.9
193.04942	0.7
193.08562	0.7
194.07333	1.4
195.06502	2.0
195.08124	1.4
198.06741	1.2
199.07555	1.3
201.09041	1.3
202.06207	2.3
202.07834	1.4
203.06920	1.3
203.08554	2.1
205.06496	6.3
205.08580	2.4
206.07297	4.7
207.06467	1.7
207.08163	3.9
208.05234	0.8
208.07246	1.1
208.08940	1.0
209.07964	1.3
210.06865	1.0
214.06096	0.7
217.06610	1.0
217.08575	10.0
218.07248	4.7
219.08047	9.3
219.10208	1.6
220.05116	1.0
220.08772	1.2
221.06099	3.7
221.09676	1.9
222.06740	3.0
223.07547	1.6
225.07581	2.3
230.07213	0.9
231.08070	5.5
232.08838	2.2
233.06006	6.5
233.09662	2.4
234.06744	12.3
234.08842	1.1
235.07515	10.0
235.09671	2.8
236.08293	2.6
237.09071	4.5
238.06181	1.5
239.06978	0.9
240.07945	0.9
241.08586	3.4
243.08308	0.7
245.06012	1.9
246.06824	4.7
247.07518	8.8
247.09714	1.4
248.04593	0.9
248.08356	6.1
249.05478	7.9
249.09134	10.6
249.11476	1.2
250.06281	10.5
250.08853	1.1
250.09799	0.6
251.06987	4.2
251.10736	1.4
252.07878	1.0
253.04655	0.6
253.08601	1.6
254.09261	0.9
255.06448	1.0
258.06763	1.3
259.07523	3.3
260.04666	0.6
260.08313	2.5
261.05560	2.6
261.08948	4.8
261.90753	0.6
262.06281	6.9
262.09750	2.0
263.06995	12.4
263.10217	0.9
263.10703	0.9
264.07864	6.3
265.08597	16.1
266.05731	1.8
266.08890	0.7
267.06555	1.1
267.10275	1.8
268.07281	0.9
268.10779	0.6
269.08173	1.4
270.08932	0.9
271.06039	1.6
274.06235	1.8
275.06998	6.8
275.10004	1.0
276.07764	12.2
277.05026	4.8
277.08606	17.6
278.05740	1.9
278.09378	3.7
279.06531	6.5
279.10144	6.5
280.07205	2.6
281.08139	5.3
281.11319	1.1
282.08789	2.2
283.09738	0.8
285.07596	1.2
286.08359	2.4
287.06903	1.5
288.07779	2.3
289.08551	2.2
290.05942	1.2
290.09323	1.9
291.06494	5.7
291.10147	3.2
292.07272	5.2
293.08072	20.0
293.11575	1.7
294.08878	7.5
295.06580	0.9
295.09576	3.3
296.06555	0.8
296.10059	0.8
297.07898	1.0
297.11270	2.4
299.05249	0.7
301.10870	1.1
303.06537	1.0
304.07385	5.1
305.08121	7.2
306.08899	7.7
307.06125	1.1
307.09555	10.5
308.06711	1.9
308.10037	0.8
309.07599	7.1
309.11230	4.7
310.08481	3.0
310.11490	0.8
311.09232	1.9
313.10837	0.8
315.08798	0.7
319.06293	0.8
319.09702	3.5
320.06934	1.1
320.10358	1.4
321.07529	2.8
321.11234	5.2
322.08319	4.4
322.11914	1.1
323.09122	4.7
324.10065	3.5
325.10706	11.5
326.11526	1.9
329.10168	10.3
334.08240	2.3
335.09320	3.5
336.10001	1.5
337.06619	1.4
337.10684	26.7
338.11383	3.2
339.12216	2.7
341.14084	1.1
343.11774	0.9
349.10788	4.2
350.11404	2.1
351.08420	1.3
351.12317	3.0
353.10208	5.4
353.14063	1.8
354.10825	1.6
355.11752	73.0
356.12363	3.6
357.13354	4.2
366.10938	0.7
367.11777	3.0
368.12564	2.1
369.13397	9.0
371.14871	2.1
381.13403	8.7
382.13730	1.1
383.15039	1.3
385.12894	4.2
387.14310	5.9
388.14999	1.0
399.14365	100.0
400.14853	7.0
411.14441	0.7
417.15479	2.4
431.17203	1.6
441.15546	6.7
443.17096	1.5
473.18079	9.5
474.18073	0.8
533.18951	0.7
563.19293	0.9
575.19287	1.3
593.20538	0.9
595.21600	5.7
607.21515	2.9
613.22467	6.1
625.22815	7.9
812.56488	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5335
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02638	0.3
61.02933	5.0
67.05512	5.6
69.03436	3.2
69.07071	2.0
71.01360	0.4
71.04997	1.9
71.05679	0.5
71.06013	0.4
73.02922	3.8
73.48009	0.3
77.22446	0.3
79.05492	4.7
81.03424	2.1
81.07053	5.4
83.04997	0.4
83.08635	1.1
85.02910	4.7
87.35468	0.3
91.03958	3.0
91.05491	2.9
93.07051	4.0
95.05014	0.5
95.08613	4.0
97.02895	4.7
97.06546	0.5
97.10165	0.8
99.04480	1.3
99.39609	0.3
100.24892	0.3
101.02402	1.9
103.03934	0.5
105.07039	1.9
107.08610	2.4
109.02874	1.1
109.10167	1.9
115.03965	0.4
117.07031	0.6
119.08575	1.6
121.10164	1.7
123.11762	0.7
125.09670	0.5
126.30170	0.3
127.03940	1.5
131.08571	1.0
133.10178	1.2
135.11707	0.7
145.10161	0.8
147.11713	0.6
149.13258	0.5
185.04259	0.6
188.46596	0.4
203.05322	0.4
243.08473	3.0
288.62613	0.3
335.25931	0.6
336.93124	0.3
365.23013	3.8
413.17807	0.5
421.25446	0.5
513.23267	0.4
519.29364	6.0
583.30933	5.6
747.42737	0.4
861.53345	100.0
862.53638	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	861.4972
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.6
67.05515	8.3
69.03407	3.2
69.07043	1.2
71.21291	1.3
71.21629	1.4
73.02908	4.6
79.05483	3.3
81.03428	1.6
81.07060	6.2
82.81884	0.9
85.02894	5.5
91.03944	4.1
91.05466	2.8
93.07039	3.9
95.08595	3.7
97.02898	6.7
99.04467	2.4
101.02384	1.7
103.47529	0.9
105.07042	1.7
107.08594	2.0
109.02848	1.3
109.10146	5.5
117.05358	1.0
119.08565	1.6
121.10166	1.9
127.03924	2.0
129.05533	1.2
131.77701	0.9
135.11621	1.1
149.13223	1.2
173.11760	1.2
179.24210	1.0
185.04202	1.9
229.13985	1.0
243.08458	3.5
296.02963	0.9
301.08911	2.3
335.25781	1.0
371.16953	1.1
373.10883	1.9
385.18210	2.9
385.40491	1.1
413.17819	6.1
430.99936	1.2
469.20715	1.6
470.31546	1.0
519.29193	12.3
578.30420	3.1
591.31720	1.7
606.92560	1.0
618.75110	1.2
641.68042	1.1
662.40131	1.2
691.40308	100.0
692.40265	3.4
717.41760	1.4
719.43384	3.4
747.42480	2.7
847.59479	1.0
861.50604	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.6
66.08443	0.4
67.05509	6.2
69.03429	3.4
69.07070	2.3
69.08004	0.3
70.04722	1.8
71.01387	0.4
71.04984	1.2
73.02921	3.7
79.05502	3.6
81.03423	1.5
81.07053	5.8
83.08649	0.9
85.02905	4.4
87.04472	0.7
87.66368	0.5
91.03951	2.6
91.05477	2.1
93.07038	4.3
95.04988	0.6
95.08630	4.1
97.02898	4.8
97.06590	0.6
97.10178	0.6
99.04483	1.0
101.02370	2.2
103.00456	0.5
105.07050	1.8
107.08591	2.4
108.81269	0.4
109.02921	1.1
109.06542	0.6
109.10186	1.6
117.82597	0.4
118.27100	0.4
119.08598	0.8
121.10123	2.0
127.03960	1.3
131.08601	0.6
133.10156	1.4
135.11699	1.0
145.10136	0.7
147.11754	0.7
159.11745	0.8
161.13216	0.5
174.26443	0.5
184.07411	0.8
212.00803	0.4
236.89296	0.5
243.08530	1.8
247.97498	0.4
268.65939	0.4
308.07416	0.4
335.25775	0.8
365.23022	4.2
385.84409	0.5
409.79904	0.4
519.29315	7.9
523.13245	0.5
583.31067	3.7
861.53345	100.0
862.53662	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	861.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	5.7
67.05509	5.7
69.03439	3.0
69.07066	2.3
69.42543	1.0
69.42947	4.8
71.04986	1.0
73.02920	4.5
76.87099	0.6
79.05487	6.1
81.03409	3.3
81.07066	6.2
83.04983	1.6
83.08643	1.2
85.02914	6.2
91.03971	4.1
91.05468	3.7
93.07056	5.9
95.08617	5.0
97.02898	5.1
97.06518	0.7
99.04458	1.1
101.02406	2.2
103.03967	0.8
105.07047	2.4
107.08594	2.5
109.02890	0.8
109.10155	2.7
117.07023	0.9
119.08596	1.3
120.25449	0.5
121.10176	1.7
127.03951	2.3
131.08591	1.7
133.10146	1.2
135.11713	1.7
145.10152	1.4
153.12761	0.8
159.11787	0.6
163.11237	1.6
163.15102	0.5
173.11751	0.8
184.07402	0.8
185.04352	1.4
209.11742	1.2
223.09492	1.1
243.08519	2.1
267.12137	2.5
271.33795	0.7
335.25815	1.6
357.24741	0.5
365.19370	1.5
413.17792	0.7
415.66516	0.6
441.17233	4.6
485.19913	4.3
519.29327	10.8
583.27881	1.9
691.40265	7.0
717.41754	1.0
719.39832	1.5
763.42395	5.0
775.40582	0.8
779.10791	0.6
861.49976	100.0
862.50336	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	859.4833
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02930	4.7
67.05515	4.7
69.03430	3.0
69.07076	2.0
71.62121	1.1
73.02928	3.1
79.05485	4.3
81.03443	2.4
81.07054	6.0
83.04986	0.8
83.08634	0.9
85.02888	4.0
86.09703	0.8
87.04491	0.8
91.03961	1.9
91.05458	4.2
93.07050	3.6
95.04964	2.1
95.08638	3.5
97.02911	3.1
97.06570	0.9
100.31850	0.7
101.02393	1.9
105.07054	2.9
107.04996	0.9
107.08596	2.1
109.06561	0.9
116.06666	0.7
117.07075	0.8
119.08630	1.6
127.03914	1.0
131.08617	1.4
133.10178	2.4
135.11690	1.5
175.11255	0.8
181.99353	0.7
184.07370	1.3
185.04283	1.1
185.78102	0.7
186.40617	0.8
193.53885	0.8
218.05707	0.7
243.08476	2.0
259.07861	0.8
308.28870	0.7
313.17889	1.1
331.19012	2.0
333.20438	0.9
407.08594	0.8
439.19559	1.6
451.19373	1.0
531.26080	1.7
549.26715	2.7
551.28381	6.7
569.43939	0.8
694.59680	0.8
761.40698	4.0
807.08148	0.8
841.46979	10.1
844.37140	0.7
859.47870	100.0
860.48090	6.8
866.82660	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4964
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	3.5
67.05505	5.5
69.03434	2.7
69.07074	3.0
70.16058	2.4
71.05013	0.7
73.02930	3.2
79.05506	4.6
79.27117	0.6
81.03426	2.5
81.07060	5.4
83.05004	0.7
83.08626	1.2
85.02914	3.9
85.06577	0.6
86.09723	2.0
91.03973	2.2
91.05470	4.5
93.07052	5.0
95.05000	2.0
95.08608	2.4
97.02900	3.3
97.06535	0.9
99.04491	0.7
101.02393	1.3
105.07039	3.2
107.04971	0.9
107.08601	2.1
109.02937	1.0
109.06516	0.8
109.10197	0.9
112.79066	0.6
115.37247	0.5
115.53610	0.6
117.07063	1.4
119.08615	2.1
121.10190	1.1
125.00034	1.3
127.03925	1.1
131.08629	1.2
133.10204	1.8
135.11748	1.2
143.08592	0.5
145.10228	0.8
147.11716	0.7
184.07339	5.5
184.08768	0.6
185.04192	0.6
243.08485	3.2
259.08087	0.5
333.20380	3.6
389.23248	1.2
439.19473	2.6
453.21121	1.6
469.20563	0.7
551.28326	12.2
763.42773	0.6
861.49725	100.0
862.49951	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	859.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	4.1
67.05505	7.0
67.11591	0.6
69.03430	2.3
69.07076	2.4
71.04991	1.1
73.02924	3.8
79.05492	4.7
80.31015	0.6
81.03430	2.6
81.07060	5.3
83.04988	1.9
83.08620	1.2
85.02890	4.3
86.09709	0.8
91.03963	2.0
91.05461	5.2
93.07040	3.6
95.04985	2.2
95.08620	3.0
97.02901	4.6
97.06558	1.0
98.20668	1.5
99.04454	0.9
101.02406	1.7
105.07053	3.3
107.04967	1.0
107.08600	2.5
109.02895	0.8
109.06578	1.0
109.10162	1.7
117.07053	1.1
119.08595	2.3
121.10208	1.1
123.08109	0.8
123.11774	0.8
127.03960	1.0
129.05518	0.8
131.08612	1.6
133.10167	3.0
135.11728	0.9
144.58255	0.6
147.11707	0.9
159.11726	0.7
163.50163	0.6
173.09612	0.8
175.11203	1.0
184.07425	1.6
187.11064	0.6
193.12253	0.9
203.05228	0.7
207.46320	0.6
243.08432	4.1
313.17999	0.7
331.18872	1.8
333.20547	2.1
339.90970	0.8
341.67078	0.8
439.19720	0.9
451.19363	1.2
453.21082	0.8
503.16901	0.7
531.25793	2.1
549.26910	4.0
551.28357	8.6
623.30566	1.3
761.40326	3.8
790.40906	0.8
841.46948	10.0
859.48126	100.0
860.48517	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	859.4811
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02928	3.2
65.03929	0.5
67.05502	5.5
68.13386	0.5
69.03428	3.0
69.07082	3.1
70.16769	1.2
70.17157	0.9
71.32301	0.4
73.02924	2.7
79.05493	4.6
81.03413	2.5
81.07056	6.1
82.08836	0.4
83.04992	1.2
83.08629	1.5
85.02910	3.3
87.04533	0.5
91.03960	2.0
91.05479	4.1
93.07048	5.1
93.76727	0.4
95.04977	1.5
95.08596	3.3
97.02898	3.9
97.06525	0.6
97.10181	0.9
98.20800	0.7
99.04473	0.6
99.18217	0.4
101.02393	1.6
105.07056	2.6
107.04977	0.8
107.08567	3.2
107.74436	0.4
109.02888	0.6
109.10158	1.9
117.07052	1.0
119.08601	1.7
121.10166	1.2
123.08047	0.8
125.09693	0.7
127.03928	1.1
129.07014	0.6
131.08562	1.3
133.10147	2.3
135.11742	1.2
145.10162	1.1
147.11688	0.8
149.13266	0.6
151.11226	0.6
159.11673	0.7
170.72281	0.4
182.57188	0.4
184.07430	1.4
203.05286	0.6
223.13322	1.5
243.08438	4.8
261.40787	0.5
273.18475	0.6
291.19617	1.4
331.18939	1.5
333.20483	1.2
439.19608	1.3
453.20752	0.8
469.20563	0.6
549.26740	5.9
551.28217	6.2
552.18848	0.5
710.65051	0.5
859.48083	100.0
860.48193	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	859.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87766	0.4
61.02930	3.4
67.05507	5.4
69.03441	2.9
69.07072	3.6
71.04993	0.8
73.02921	2.6
79.05494	5.1
81.03432	2.7
81.07054	5.5
83.05005	1.2
83.08624	1.3
85.02913	3.8
91.03965	2.1
91.05465	3.7
93.07040	3.5
95.00039	0.4
95.05007	1.3
95.08586	2.4
97.02898	4.0
97.06528	0.5
97.10166	1.3
99.04462	1.0
99.64059	0.5
101.02370	1.3
103.05534	0.5
105.07026	2.6
107.04961	0.6
107.08604	2.1
109.02851	0.8
109.10186	1.7
117.07036	0.7
119.08561	2.2
121.06498	0.9
121.10153	1.3
121.14922	0.5
125.09673	1.0
127.03943	1.5
129.07076	0.6
131.08568	1.3
133.10167	0.9
135.08092	0.6
135.11716	0.6
145.10204	0.6
149.13206	0.6
159.11690	0.4
161.13243	0.5
184.07446	1.1
185.04172	0.5
200.68951	0.5
203.05418	0.7
223.13333	1.4
243.08426	4.8
291.19693	1.6
331.19153	1.0
333.20584	1.8
426.01855	0.4
439.19653	1.1
453.21237	0.7
549.26813	5.4
551.28339	6.2
735.94965	0.5
761.40393	0.7
859.48108	100.0
860.48199	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	856.5779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	2.3
65.03936	5.1
67.05509	100.0
69.03428	5.8
69.06709	2.3
69.07071	27.6
69.27555	5.2
69.27973	8.2
69.38492	1.3
71.05002	12.1
71.08627	1.9
79.05502	65.3
81.03429	12.1
81.07061	93.9
83.01298	1.5
83.04974	9.5
83.08617	14.2
85.02898	5.9
85.06549	5.6
91.05482	49.8
93.07048	77.8
95.04981	10.9
95.08613	53.5
97.02894	3.9
97.06528	14.2
97.10175	6.5
99.08092	3.6
105.04537	2.1
105.07028	36.1
107.04976	5.5
107.08598	46.7
109.02886	1.9
109.06516	6.1
109.10162	38.9
111.08092	6.1
113.06021	1.7
113.09689	2.6
117.07013	18.1
119.08588	26.6
121.06526	3.4
121.10147	27.4
123.08051	2.8
123.11719	6.3
125.09634	4.7
127.03916	3.3
129.05544	2.9
129.06995	7.5
131.08571	25.3
133.06546	2.0
133.10130	21.6
135.08051	4.3
135.11684	15.4
137.09619	2.7
137.13313	2.2
143.08565	5.1
145.10130	20.3
147.08058	1.8
147.11690	12.3
149.09598	7.8
149.13252	14.7
151.11205	2.6
155.08492	2.4
157.10159	5.5
159.11716	16.0
161.13261	7.5
163.11183	5.6
163.14876	2.5
165.12717	1.5
169.10150	3.2
171.11665	3.9
173.11743	5.1
173.13289	9.2
177.12770	2.2
179.14310	2.8
181.10141	1.6
183.11684	2.6
185.13287	3.7
187.14894	3.3
189.11143	2.8
189.12756	2.0
189.16473	1.7
193.12386	1.6
195.11809	1.8
195.13777	2.9
197.13272	3.6
211.14883	1.9
215.18184	1.5
227.12784	4.2
229.14330	22.7
229.19424	2.0
243.21051	3.5
257.19037	6.6
259.20609	3.3
261.22156	8.5
267.15936	5.5
269.17462	12.3
275.20126	21.0
293.21255	2.0
317.24704	2.8
331.22745	2.1
335.25818	75.5
336.26248	2.3
339.17905	3.6
349.23685	16.9
381.26266	4.0
413.21677	9.3
437.34155	2.7
471.34891	2.8
489.35742	17.3
511.37393	1.7
527.37262	4.2
529.38934	86.6
530.39075	3.3
545.38379	2.3
569.42169	15.2
609.45154	26.6
627.46167	1.9
641.48010	10.6
673.43158	7.5
691.43634	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
60.10899	1.3
61.02905	3.1
65.03931	3.9
67.05506	100.0
68.05827	1.6
69.03420	2.9
69.07072	16.7
70.85130	3.1
71.04993	3.8
73.02919	2.5
79.05498	43.5
81.03441	9.6
81.07061	62.9
83.04984	6.1
83.08620	14.4
85.02901	12.0
85.06517	3.4
87.04454	4.8
91.05488	27.1
93.07050	43.1
95.04973	7.9
95.08610	36.7
97.02901	4.7
97.06531	6.5
97.10171	17.4
99.08113	2.0
105.04536	1.7
105.07044	13.8
107.04969	4.1
107.08605	22.8
109.06539	4.0
109.10163	57.9
109.10916	3.3
111.04431	1.8
111.08089	4.4
117.07034	7.0
119.08593	13.9
121.10143	16.0
123.08062	4.5
123.11684	4.4
125.09657	16.1
129.05470	3.2
129.06992	2.8
131.08566	11.9
133.10153	9.9
135.11702	10.6
136.53877	1.6
137.09636	2.9
139.06564	1.4
143.08508	2.0
143.10692	2.5
145.06372	1.7
145.10144	11.3
147.11693	5.2
149.13303	7.1
153.12772	3.2
155.10684	4.0
157.10217	1.8
159.11717	4.7
161.13254	4.7
163.11188	7.5
163.14893	2.3
172.16995	1.4
173.09592	2.4
173.11740	12.3
173.13290	3.4
191.10651	3.1
193.12386	1.8
199.13228	4.8
209.11606	7.6
217.14404	2.0
227.12801	7.7
229.14357	45.8
243.21132	4.2
261.22183	11.6
267.15891	2.1
283.01996	1.7
301.16534	12.6
317.24774	2.9
335.25803	75.6
336.26041	3.9
399.23782	13.6
477.35907	3.9
489.35745	15.9
543.37103	1.7
561.37744	5.4
579.38977	2.0
659.45337	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	2.9
65.03926	3.6
67.05506	66.6
69.03430	8.8
69.07069	18.0
71.01348	4.4
71.04970	5.6
71.61346	2.0
73.02914	2.9
79.05045	3.4
79.05494	52.9
81.03423	23.4
81.07058	61.7
83.04983	18.5
83.08621	12.3
85.02441	1.9
85.02887	8.9
85.06545	2.0
91.03986	2.3
91.05482	34.7
93.07048	70.2
93.14115	1.7
95.04979	14.1
95.08605	42.6
97.02905	12.8
97.06538	11.3
97.10173	8.6
99.04462	3.4
105.04515	1.9
105.07030	20.8
107.04952	13.5
107.08598	36.8
109.02890	2.2
109.06502	5.2
109.10164	24.3
111.04424	4.8
111.08075	3.6
117.07021	12.8
119.08583	24.0
121.06511	3.3
121.10135	28.0
123.08107	8.9
123.11674	5.7
125.09615	5.6
127.03943	2.8
129.05463	3.0
129.06989	2.9
131.08574	17.4
133.10118	11.3
134.08714	1.8
135.08049	4.9
135.11699	21.9
137.09674	3.9
143.08560	3.5
145.05019	1.9
145.10149	22.7
147.08064	3.9
147.11725	6.0
149.13248	4.9
153.12781	12.7
155.08531	3.7
157.10109	2.3
159.11702	6.1
161.13226	2.9
163.11198	26.4
171.11650	2.9
173.09634	5.2
173.11775	2.0
173.13217	3.8
175.11235	1.9
181.12282	6.6
185.13312	2.3
187.14978	1.8
189.11301	2.0
191.10643	8.8
193.12109	2.1
209.11736	15.3
227.12767	14.6
229.14290	2.4
243.21036	3.7
258.89368	1.9
260.62924	1.8
261.22195	10.9
265.14349	4.1
267.15845	3.2
283.15421	18.9
299.23447	2.5
301.16464	30.1
335.25842	61.4
336.26141	2.2
445.20670	3.9
451.32162	4.0
469.32962	2.1
503.41626	1.9
525.35651	10.8
529.38873	2.8
543.36829	53.2
561.37891	100.0
562.37903	4.8
577.11786	2.0
641.43976	5.4
654.80920	2.1
687.41534	2.6
705.41119	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02928	2.9
62.76313	1.2
65.03932	5.5
67.05508	76.1
69.03431	10.1
69.07072	42.5
71.04978	6.7
71.62277	2.2
71.66974	1.3
73.02902	2.3
77.03909	2.1
79.05492	67.2
81.03423	17.7
81.07057	100.0
83.04980	15.7
83.08621	18.2
83.33090	1.2
85.02923	8.6
85.06530	5.3
86.09734	1.9
87.04456	1.6
88.21976	1.4
91.05482	63.7
93.07047	75.3
95.04971	16.2
95.08038	2.8
95.08607	41.0
97.02877	7.1
97.06532	22.7
97.10155	4.6
99.04434	3.2
99.08087	5.3
103.05476	2.9
105.04490	1.6
105.07037	50.5
107.04965	11.0
107.08593	47.5
107.29411	1.7
109.02873	2.0
109.06525	8.4
109.10162	16.6
111.04424	1.8
111.08077	6.7
113.09648	2.6
115.05421	2.6
115.43259	1.3
116.06233	1.6
117.07022	23.9
119.07781	2.1
119.08586	37.4
121.06531	7.1
121.10147	21.6
123.08056	8.5
123.11707	5.4
125.09624	6.6
127.03896	5.1
128.06224	1.8
129.07004	11.2
131.08568	30.2
133.06485	3.5
133.10121	28.7
135.08054	4.6
135.11685	23.0
137.09599	5.0
141.06967	4.3
142.07823	1.7
143.08572	8.8
144.09401	1.4
145.06519	1.9
145.10124	24.7
147.08075	2.0
147.11678	14.7
149.09627	18.7
149.13239	15.4
151.11203	2.5
155.08565	7.4
157.10136	7.1
159.08072	1.9
159.11673	19.5
161.09592	2.5
161.13290	8.0
163.11183	12.9
165.12810	2.7
169.10144	6.8
171.11687	8.1
173.04443	3.8
173.13240	10.0
175.11208	3.5
177.12749	5.9
179.14310	2.9
181.12283	2.1
183.11679	5.9
184.07343	9.4
185.13281	2.9
187.11145	3.0
187.14804	1.9
189.11185	3.5
191.14360	1.7
195.12122	1.6
195.13863	9.9
197.13260	3.8
199.14931	1.7
205.12279	1.5
211.14780	2.9
213.16472	1.9
215.18036	2.2
219.13861	1.6
227.12756	6.6
229.14226	2.2
229.19429	1.7
239.17943	4.6
245.13550	1.6
247.20561	3.4
253.14252	2.2
255.15836	14.9
257.19028	14.1
267.15869	3.9
269.17474	40.3
275.20053	45.4
293.21225	4.1
331.22818	3.3
349.23788	37.7
367.24728	6.0
375.25684	1.7
396.47559	1.5
431.27811	2.2
433.31168	2.3
435.27237	5.9
445.29532	1.7
449.29047	21.4
451.32101	2.3
463.30560	28.8
515.37360	2.5
525.35461	6.4
529.35236	9.0
543.36932	28.6
547.35938	1.7
561.37695	6.5
573.71436	1.4
623.42609	6.6
641.43494	2.1
687.39844	1.9
718.79950	1.6
857.45972	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	856.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73867	1.8
63.39000	2.3
63.44472	2.1
65.03944	5.8
67.05507	90.9
68.12959	2.0
69.03419	9.1
69.07072	45.6
71.04997	6.3
71.61442	3.5
72.36278	2.2
73.02915	3.1
77.03954	2.5
79.05044	4.4
79.05495	74.1
81.03417	18.1
81.07061	100.0
83.04990	14.8
83.08625	19.1
85.02885	4.5
85.06532	2.7
86.09731	3.7
91.05483	72.6
93.07047	89.6
95.04983	15.4
95.08611	41.4
97.02897	8.8
97.06538	19.2
97.10172	9.0
99.04465	2.5
99.08121	3.0
105.07034	53.6
107.04962	14.6
107.08600	47.3
109.02892	2.7
109.06542	9.9
109.10147	19.9
111.08075	8.0
113.09635	3.1
117.07006	24.3
119.04920	2.2
119.08585	38.0
121.06496	5.7
121.10155	24.9
123.08093	6.1
123.11724	5.8
125.09644	7.0
127.03896	4.5
128.06245	3.2
129.07018	10.0
130.07825	3.7
131.08575	28.0
133.06508	2.6
133.10132	35.9
135.08080	8.3
135.11707	26.5
137.09647	4.8
141.06998	3.9
142.07790	2.5
143.08609	9.6
145.06581	2.8
145.10136	24.4
147.08032	4.2
147.11685	16.9
149.09622	16.3
149.13271	15.2
151.11182	4.6
155.08571	6.4
157.10100	10.7
159.11729	22.9
161.09669	3.1
161.13298	7.2
163.11180	14.7
169.10103	6.1
171.11708	6.8
173.04428	2.7
173.09731	2.1
173.13280	6.9
175.11150	2.9
177.12776	7.8
179.14433	5.0
183.11697	4.4
184.07350	9.1
187.14789	2.9
189.11166	2.8
189.12753	2.5
190.03351	1.9
193.24081	2.1
195.13770	9.6
197.13217	3.9
199.14864	4.8
203.14424	3.1
213.12782	2.0
227.12767	6.7
229.19624	3.5
239.17960	4.7
248.60220	2.0
251.16502	2.4
255.15839	15.0
257.19037	15.2
267.15848	4.0
269.17471	53.2
270.17786	2.3
275.20068	42.3
331.22766	2.2
349.23737	38.6
367.24643	5.8
435.27161	3.8
445.29456	3.3
449.29034	30.6
463.30508	42.5
515.36908	3.1
525.35962	4.9
529.35162	7.3
543.36859	34.3
544.37036	3.3
561.37592	5.4
607.34814	2.4
623.42780	5.9
641.43774	3.3
847.40204	2.4
856.45288	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	854.5261
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	3.3
65.03937	4.9
67.05160	3.4
67.05508	56.3
69.03430	13.3
69.07069	36.4
71.04989	6.5
71.62229	2.5
77.03919	1.9
79.05499	47.9
81.03426	9.3
81.07059	66.6
83.04985	11.1
83.08632	12.5
85.02905	6.8
85.06538	4.7
91.05481	44.5
93.07048	50.1
95.04965	14.6
95.08610	25.4
97.02889	10.2
97.06525	11.0
97.10169	14.4
105.07034	35.4
107.04952	10.1
107.07938	2.8
107.08607	31.3
109.02857	1.7
109.06519	7.2
109.10159	17.9
111.08086	5.5
115.05424	2.9
117.07003	16.7
119.08586	20.3
121.06473	5.9
121.10147	11.6
123.08051	5.2
123.11691	2.1
125.09654	9.4
127.03957	3.4
128.06242	2.3
129.07010	9.4
131.08568	16.2
133.06488	3.7
133.10135	20.4
135.08069	7.9
135.11682	12.2
143.08572	7.0
145.10097	13.3
147.08064	5.6
147.11650	8.3
149.09647	5.8
149.13258	8.4
150.65295	1.8
151.11185	7.2
157.10081	3.3
159.11703	11.2
161.09601	4.0
161.13240	2.4
163.11165	6.4
169.10223	2.7
171.11728	2.8
171.42303	1.6
173.04500	2.4
173.13252	4.4
175.11232	3.1
177.12758	3.7
179.14301	2.7
181.12279	1.6
183.11720	2.3
184.07352	2.1
185.13297	1.9
189.11240	5.5
189.12807	2.1
195.11877	1.8
195.13857	5.1
223.13307	14.6
227.12807	7.9
239.18182	2.2
245.18970	2.7
249.14853	3.7
253.14406	10.0
255.15939	5.4
257.19006	5.6
263.20096	2.0
269.17465	26.6
273.18503	16.5
275.20026	15.6
289.17844	2.1
291.19543	100.0
347.22119	3.7
349.23737	12.7
365.23224	41.9
367.24783	2.1
402.08578	1.8
456.56009	2.2
541.35260	4.2
545.34967	10.5
559.36328	59.2
560.36810	2.5
639.42645	13.7
657.42993	2.2
682.34607	3.7
854.30878	2.5
854.45795	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	854.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	1.5
65.03938	2.6
67.05507	48.2
69.03431	12.5
69.07072	37.5
71.04992	4.0
71.08655	1.3
71.61880	1.8
73.02915	1.5
79.05493	43.5
81.03425	12.1
81.07059	53.9
83.04985	7.6
83.08620	13.1
85.02902	4.4
85.06548	4.5
91.05479	36.2
93.07048	37.4
95.04980	11.2
95.08606	20.8
97.02908	11.1
97.06551	10.5
97.10180	16.1
99.04484	1.6
99.08122	2.7
105.04507	1.2
105.07035	34.7
107.04955	11.1
107.08597	27.1
109.02879	1.7
109.06525	5.9
109.10161	14.1
110.48277	1.2
111.04501	2.2
111.08106	3.8
113.19235	1.3
115.05462	2.5
117.07020	16.4
118.23686	1.4
119.08580	23.2
121.06515	4.0
121.10139	11.6
123.08096	7.0
123.11702	2.0
125.09612	9.6
127.03903	2.1
129.07018	5.8
131.08565	16.1
133.06500	3.0
133.10147	18.9
135.08072	4.8
135.11713	11.3
137.09618	3.5
143.08560	4.3
145.10103	12.8
147.08035	4.7
147.11664	7.1
149.09641	11.2
149.13266	7.2
151.11157	2.9
153.09186	1.7
155.08566	2.3
157.10161	5.6
159.08105	3.2
159.11688	11.9
161.09633	3.8
161.13290	4.2
163.11147	9.2
169.10162	2.8
171.10164	1.4
171.11702	2.9
173.13245	2.6
175.11171	2.8
175.14766	1.4
177.12741	5.6
179.14343	1.9
184.07385	1.5
185.09517	1.6
187.11127	1.8
189.11264	6.3
189.12787	2.0
195.13867	3.6
197.13321	2.1
205.12204	2.7
216.07867	1.4
223.13274	20.0
227.12744	7.9
227.17929	1.6
239.18100	2.1
245.19041	3.1
249.14886	2.5
253.14378	4.6
255.15909	5.1
255.53770	1.2
257.19019	4.4
263.19891	1.7
267.15952	2.3
269.17520	18.1
273.18558	14.0
275.20068	17.8
291.19550	100.0
347.22043	3.0
349.23813	13.9
365.23254	36.7
380.50333	1.4
458.23245	1.3
461.29034	2.0
541.35175	1.9
543.36603	1.6
545.34631	17.9
559.36310	46.7
560.36432	1.8
639.42639	17.8
657.42926	1.9
854.45447	8.4
855.45782	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	854.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	5.1
65.03937	1.0
67.05508	39.9
69.03416	1.5
69.06712	0.7
69.07072	9.7
71.04636	0.8
71.05000	11.2
71.05389	0.6
71.61374	0.8
73.02938	1.3
79.05042	1.1
79.05495	17.7
79.05955	1.1
81.03419	3.0
81.07060	61.3
83.04990	4.1
83.08624	7.8
85.02911	6.2
85.06544	5.2
91.03984	3.2
91.05486	13.8
91.53166	0.5
93.07050	26.0
94.53226	0.5
95.04969	3.5
95.08613	10.9
97.02895	3.6
97.06548	6.1
97.10171	1.9
99.04461	1.2
99.08104	1.2
101.55692	0.5
105.04523	1.0
105.07040	6.3
107.04961	0.9
107.08601	16.7
109.06541	1.3
109.10170	6.0
111.04408	0.8
111.08099	3.2
111.11740	0.7
117.07018	4.7
119.08587	2.2
121.06522	1.4
121.10157	10.0
123.08072	0.8
123.11708	7.1
125.09627	1.0
127.03905	1.9
129.05443	0.7
129.07013	0.8
131.08572	5.4
133.10132	11.8
135.08080	1.0
135.11688	4.8
139.11177	1.0
143.08669	0.7
145.04956	1.4
145.10133	0.8
147.11748	1.2
149.09642	0.6
149.13269	16.5
151.11215	4.2
153.12651	0.6
154.04230	0.5
159.11688	9.1
163.06056	1.5
173.11719	0.9
177.12695	3.1
183.13823	0.8
187.13377	2.5
195.13835	5.2
225.14850	1.3
229.14305	2.5
241.59688	0.6
247.40994	0.5
251.16409	1.2
259.16150	0.6
267.15958	1.1
269.17490	13.7
301.16956	0.9
301.20053	4.5
423.27457	2.2
437.29031	31.7
438.29480	1.1
445.24121	0.9
451.30487	3.7
463.30579	100.0
464.31097	3.6
495.33316	36.1
496.33496	1.9
607.34698	1.4
639.37054	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	854.4741
Annotation	Unknow
Peak:m/z	Relative Intensity
60.75682	1.3
61.02929	6.7
65.03918	1.6
67.05507	51.1
69.03427	2.1
69.07071	11.8
70.65124	3.2
71.05003	13.4
72.71168	1.1
73.02893	2.7
79.05495	21.0
81.03424	4.4
81.07060	76.3
83.04980	4.2
83.08627	10.5
85.02922	8.8
85.06546	7.0
85.06998	1.1
91.03955	4.3
91.05486	21.3
93.07051	34.4
95.04956	3.2
95.08612	13.3
97.02897	4.6
97.06529	8.9
97.10161	2.4
98.64249	1.2
99.08076	2.6
100.73171	1.2
103.14996	1.0
105.07007	7.4
107.08600	21.2
109.06534	3.2
109.10160	9.5
111.08077	5.1
112.88914	1.1
117.07024	4.7
119.08560	4.0
119.89102	1.3
121.10144	13.2
122.98335	1.1
123.11688	10.5
125.09625	1.5
127.03910	1.6
131.08575	4.6
133.10124	12.0
135.08080	1.5
135.11687	6.7
145.04930	1.8
145.10056	1.3
149.13280	15.9
151.11194	3.8
154.72186	1.2
159.11720	7.5
163.06078	1.8
163.11140	1.7
177.12770	3.9
183.13794	1.4
187.13316	1.1
195.13768	6.2
202.23170	1.1
209.11729	1.2
229.14310	4.9
267.15884	2.7
269.17477	18.8
301.16623	1.9
301.20099	4.7
313.23737	1.2
411.27020	1.1
423.27441	6.2
437.29001	33.3
451.30417	4.2
463.30591	100.0
464.30832	5.4
495.33398	42.6
496.33224	2.0
502.52081	1.3
513.30383	1.4
607.34406	1.7
639.37842	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02926	7.2
67.05505	9.1
69.03428	4.8
69.07073	1.3
71.05006	1.3
71.61487	1.3
73.02921	5.5
79.05501	3.3
81.03427	2.3
81.07056	4.2
85.02912	7.6
86.09705	1.1
91.03941	4.6
91.05498	3.2
93.07030	3.7
95.04998	0.8
95.08630	3.1
97.02902	8.1
99.04478	1.5
101.02384	2.3
105.07055	2.2
107.08617	1.4
109.02910	1.6
109.10160	6.3
112.61315	0.7
119.08617	1.6
121.10145	1.4
122.63883	0.8
127.03943	2.8
132.13788	0.7
133.10158	0.9
135.11832	0.8
136.78549	0.7
159.11795	1.0
173.11742	1.7
185.04305	1.5
227.64780	0.9
229.14432	2.1
236.85429	0.8
243.08588	2.6
261.04855	0.7
298.00873	0.8
347.09677	2.2
405.13821	6.8
413.17923	9.7
449.32437	0.9
519.29407	5.2
553.26337	0.9
575.23010	8.8
597.89893	0.8
665.23615	0.9
681.34802	4.8
691.40961	2.1
743.10492	0.9
745.71893	0.8
792.05353	0.7
853.45563	100.0
854.46069	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	853.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02923	7.5
67.05506	6.9
69.03438	4.3
69.07069	0.9
71.04971	1.1
73.02926	3.9
76.03271	0.5
79.05498	2.6
81.03422	2.2
81.07059	3.8
83.08642	1.0
85.02905	7.6
86.92760	0.5
87.04438	0.7
91.03960	3.8
91.05492	2.0
93.07043	3.2
95.04958	0.9
95.08604	2.9
97.02898	7.2
99.04479	1.3
101.02405	2.1
102.79417	0.5
105.07042	1.4
107.08604	1.7
109.02914	1.1
109.10176	3.6
115.03970	0.7
117.07001	0.9
119.08604	1.4
121.10169	1.9
127.03951	2.2
131.08530	0.5
133.10168	0.8
135.11678	0.5
145.10133	0.5
146.74457	0.4
170.36758	0.5
173.11821	1.1
175.11252	0.5
185.04213	1.4
195.10007	0.8
203.05363	0.6
229.14487	0.6
243.08549	1.8
260.90128	0.5
291.19565	1.0
335.25952	0.8
347.09564	1.8
363.09427	0.6
365.10663	1.1
365.23163	0.6
393.18646	0.5
405.13718	5.5
413.17816	5.6
519.29230	5.9
519.45233	0.5
559.36761	0.7
575.23218	4.9
681.34448	6.3
691.40302	2.4
853.45508	100.0
854.45990	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	854.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47796	1.0
61.02921	7.9
65.03943	1.7
67.05508	22.7
69.03442	5.5
69.07068	7.1
71.04998	6.4
71.61928	0.9
73.02909	2.8
79.05046	1.6
79.05498	25.8
81.03420	77.7
81.07060	26.9
83.04987	17.7
83.08622	27.5
85.02907	34.3
85.06573	2.6
91.03963	5.9
91.05484	37.1
93.07047	19.9
95.04974	27.3
95.08614	10.0
97.02885	8.3
97.06529	4.1
97.10165	3.3
99.08070	1.3
103.05491	1.2
105.07038	27.9
107.04963	9.2
107.08586	7.7
109.02895	1.3
109.06519	4.9
109.10152	5.1
109.69847	1.0
111.04430	3.1
111.08083	13.7
113.05997	2.6
115.05498	1.6
117.07038	2.5
119.08580	23.2
121.06508	1.5
121.10159	11.5
123.04386	1.2
123.08052	3.0
123.11732	2.9
125.06071	0.9
125.09605	2.5
127.03908	2.7
129.07022	13.3
131.04915	1.2
131.08571	13.1
133.06496	3.6
133.10150	13.7
137.09598	2.4
142.07776	3.4
145.04982	2.2
145.10103	2.3
147.08046	3.2
147.11694	19.0
149.09630	9.1
157.10133	17.1
161.09642	1.2
163.05975	2.6
163.11227	2.2
165.12740	3.1
167.06989	3.0
173.09435	1.0
175.11191	19.4
181.04953	1.7
191.06982	1.7
193.12250	56.9
194.12622	1.2
211.13301	87.9
212.13625	1.4
249.15004	1.2
267.15915	46.1
268.16174	2.1
273.14954	1.7
285.16977	87.9
286.17291	1.1
367.22803	2.2
385.23535	4.7
403.24765	1.5
433.25778	2.0
441.26370	2.3
459.27487	37.8
460.27176	1.6
477.28476	35.0
478.28522	1.3
495.29572	100.0
496.29846	3.7
522.04395	1.1
576.55542	1.1
639.33508	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.423
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	7.1
61.74088	0.8
67.05511	14.3
69.03416	2.7
69.07055	3.0
69.93790	3.3
71.04985	3.0
73.02900	3.1
79.05059	0.9
79.05497	16.0
81.03423	33.3
81.03903	1.7
81.07057	18.8
83.01346	3.4
83.04980	10.3
83.08624	14.3
85.02422	0.9
85.02915	17.3
91.03964	4.1
91.05487	18.0
93.07050	17.2
95.04975	12.3
95.08603	6.1
97.02909	6.7
97.06533	3.6
97.10144	3.3
98.20872	1.2
99.04453	1.9
105.07040	13.6
107.04961	7.7
107.08600	8.6
109.02847	1.0
109.06525	3.9
109.10134	2.0
111.04411	2.5
111.08085	5.5
113.05951	1.2
115.05432	1.1
117.07029	4.1
119.08591	11.8
121.06490	3.3
121.10136	6.1
123.08070	5.1
123.11691	0.9
125.09616	2.1
127.03919	1.4
129.06989	5.2
131.08588	6.8
133.06468	2.3
133.10138	5.5
135.08040	1.5
135.11673	4.9
137.05965	1.4
137.09567	0.9
139.07436	1.0
142.07771	1.1
145.04965	1.4
145.06462	0.9
145.10135	7.7
147.08107	2.1
147.11693	7.3
149.09602	3.0
151.11432	0.9
153.12721	1.3
155.08542	1.4
157.10135	5.8
161.05928	1.0
162.65445	0.8
163.06032	2.7
163.11209	10.2
165.12718	1.3
167.07034	2.7
173.09630	1.6
175.11188	6.8
176.36427	0.8
181.04970	1.7
181.12250	1.7
191.07007	1.6
193.12239	20.4
207.50871	0.7
209.07928	1.1
209.11740	2.3
211.13304	31.6
226.63965	0.8
227.12759	1.9
249.14920	0.9
267.15948	8.0
283.15430	33.5
284.15677	1.2
285.16974	26.4
286.17395	1.1
307.11395	0.8
383.22119	2.0
401.23022	1.1
410.85541	0.9
457.25778	3.5
460.33115	0.8
473.70471	0.9
475.26987	15.2
493.28000	100.0
494.28488	4.7
620.36920	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5007
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05001	3.3
61.02924	10.1
63.73722	0.6
65.03959	2.1
67.05506	100.0
68.05842	1.0
69.03426	3.2
69.07072	8.8
70.16010	2.6
71.04997	3.7
73.02917	3.5
77.03912	0.7
79.05493	20.2
81.03421	1.4
81.07059	41.7
83.04988	1.2
83.08621	8.8
85.02914	13.0
85.06567	3.0
86.09711	0.8
91.03958	8.4
91.04932	1.3
91.05479	13.7
93.07047	27.0
94.07356	0.6
95.04977	1.9
95.08606	26.4
96.04469	0.6
97.02889	9.0
97.06554	1.1
97.10164	2.8
98.20704	0.7
99.04473	1.1
99.08109	1.1
105.04501	0.7
105.07039	7.8
107.08604	17.1
109.06560	0.9
109.10159	76.6
110.10479	0.7
111.08071	3.0
113.09665	0.9
115.03932	0.8
117.06995	3.0
119.08578	12.2
121.10150	13.4
123.11700	3.9
125.09629	1.8
127.03924	3.1
129.07013	0.8
131.08575	6.2
133.10132	6.1
135.11699	8.4
135.86502	0.6
137.09654	3.8
137.13300	1.4
143.08585	0.6
145.04965	3.9
145.10136	4.3
147.11696	4.6
149.13266	6.0
155.10649	4.8
159.10497	0.8
159.11673	4.5
161.13277	2.9
163.06044	3.5
163.07199	0.5
163.14795	3.6
173.11777	19.1
173.13284	4.2
175.14842	1.0
177.16382	1.5
179.14226	0.5
180.68272	0.6
184.07341	1.4
187.14871	2.2
189.11264	0.7
202.23665	0.6
215.18137	0.6
227.12799	6.1
229.14357	90.2
230.14728	1.5
233.11082	0.6
243.21106	6.2
261.22156	22.6
279.23349	0.6
317.24820	4.1
321.29239	0.6
326.14758	0.7
335.25806	75.8
336.26117	2.6
379.29944	1.6
397.30984	1.8
415.31918	0.7
471.34531	2.2
489.35767	73.6
490.36115	3.4
507.36847	5.3
838.58856	0.7
848.49835	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05003	2.8
61.02931	8.8
65.03943	2.8
67.05508	89.5
68.05838	0.7
68.09682	0.7
69.03439	3.9
69.07069	7.8
70.85409	1.8
71.05006	3.1
73.02921	3.7
77.28694	0.6
79.05498	17.7
81.03439	1.8
81.07059	33.7
83.04987	1.5
83.08624	6.8
85.02905	13.1
85.06545	3.3
87.04446	0.8
91.03966	8.9
91.05489	11.8
93.06458	1.1
93.07047	19.5
93.07954	0.8
95.04958	1.1
95.08611	23.2
97.02892	6.9
97.06525	1.0
97.10167	1.9
99.04477	0.8
102.86901	0.7
105.07036	6.6
106.32784	0.7
107.08590	13.0
109.06531	0.9
109.10160	70.8
110.10584	0.6
111.08080	3.2
117.07023	3.2
119.08578	9.8
121.10154	10.0
122.00110	0.6
123.11706	3.8
125.09588	1.0
127.03931	3.1
127.11278	0.7
131.08580	5.4
133.10130	5.5
135.11711	8.5
137.09627	3.2
137.13252	1.2
145.05008	3.2
145.10143	4.1
147.11684	3.3
149.13255	5.1
155.10664	5.6
159.11723	4.5
161.13268	3.1
163.06020	4.8
163.14827	2.0
173.11768	20.9
173.13264	3.8
175.14780	1.4
177.16374	0.8
184.07278	1.4
187.14790	1.6
189.11307	1.0
210.90601	0.7
227.12779	8.0
229.14360	100.0
230.14731	1.9
233.22575	1.4
243.21074	5.4
261.22165	18.0
317.24710	2.8
335.25803	66.5
336.26044	2.4
337.45062	0.7
379.29745	1.4
397.30865	2.2
415.31824	2.0
453.17535	0.7
471.34552	2.9
489.35806	48.7
490.36084	1.7
507.36938	6.4
784.84894	0.7
848.51038	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5177
Annotation	Unknow
Peak:m/z	Relative Intensity
60.76395	1.1
61.02926	7.0
67.05499	7.6
69.03423	3.2
69.07069	4.8
69.51005	2.7
69.51418	5.9
73.02924	4.5
79.05502	5.2
81.03418	1.6
81.07072	7.1
85.02909	6.1
91.03972	3.1
91.05492	4.4
93.07053	4.2
95.08629	4.0
97.02905	4.1
101.02390	2.9
105.07047	6.3
107.08591	3.4
109.10184	2.9
119.08631	2.2
121.10201	1.4
125.09635	1.1
127.03961	1.3
128.87770	1.1
131.08577	1.7
184.07437	3.4
243.08418	2.8
263.09283	1.4
286.73425	1.2
295.77191	1.3
300.05524	1.2
335.25888	1.4
351.21231	2.6
519.29163	6.7
569.29315	8.0
599.76056	1.3
617.79028	1.4
741.00934	1.3
743.58026	1.3
847.51758	100.0
848.52570	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	847.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05025	1.6
65.03941	4.3
69.07049	2.0
71.30724	4.2
78.23173	1.7
79.05512	4.4
81.07040	3.6
86.09669	2.2
91.05482	11.3
93.03434	8.1
93.07045	2.2
95.04969	2.0
95.08624	1.6
105.07056	11.0
107.04958	3.4
107.08586	2.8
108.05743	3.0
109.06544	2.4
109.10161	2.2
109.20246	2.0
111.04435	12.0
117.06979	2.0
119.04951	6.2
119.08582	2.7
121.06498	2.8
121.10180	1.8
122.03632	3.4
124.05203	6.3
125.06013	12.9
128.06227	4.2
133.06493	5.6
136.05212	9.9
137.05989	69.8
139.07545	28.0
143.08559	7.2
145.06483	7.1
145.10110	1.8
150.06778	5.7
151.03944	4.1
151.07549	100.0
153.05478	32.7
159.11748	2.7
162.06804	3.2
163.07562	4.3
164.08318	3.0
165.05484	2.2
165.09123	38.4
167.07051	29.0
171.08026	12.5
173.13358	2.2
177.09094	4.1
179.10670	17.5
181.08560	3.6
186.10411	4.4
187.07465	3.6
187.14714	2.3
188.08282	10.1
191.10782	3.0
195.37172	1.7
202.09892	16.4
203.10675	49.7
205.12294	2.7
215.17757	2.0
217.12262	49.1
221.11739	29.3
235.13278	22.0
263.18042	1.8
269.10468	2.1
332.93579	1.9
341.17508	51.0
359.18433	10.9
431.13547	1.8
503.89389	1.9
595.09540	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.502
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08182	2.4
61.02925	5.6
63.17307	0.4
67.05505	6.9
69.03433	3.1
69.07069	1.5
71.01347	0.7
71.04991	0.9
71.07368	1.3
72.86810	0.6
73.02924	4.2
79.05492	4.0
81.03425	2.2
81.07060	4.7
83.04958	0.5
84.84811	0.5
85.02911	4.2
86.09711	9.8
87.10071	0.9
91.03957	2.3
91.05483	3.1
93.07037	5.6
95.04969	1.1
95.08607	3.8
97.02903	4.7
97.06525	1.7
98.21487	1.5
98.98463	1.1
99.04452	0.9
101.02392	2.5
105.07059	1.9
107.08600	2.4
109.02918	0.8
109.10156	2.1
111.08121	0.7
117.07038	0.6
119.08642	1.4
121.10139	1.3
125.00002	5.7
126.00393	0.5
127.03926	1.3
131.08597	1.3
133.10118	1.2
135.11719	0.8
145.10107	0.7
149.13249	0.6
175.95517	0.5
184.07350	28.9
185.04318	0.6
185.07677	3.1
243.08463	2.0
319.19049	0.6
349.19867	5.4
349.23752	0.5
439.19464	1.1
519.29468	4.9
567.27740	5.3
729.49689	0.8
731.44318	0.6
845.50153	100.0
846.50525	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	3.9
65.03934	0.7
67.05505	4.4
69.03430	2.8
69.07069	1.8
71.04987	1.1
73.02921	3.3
75.48784	0.3
79.05496	5.2
81.03423	1.8
81.07059	4.9
83.04978	0.7
83.08623	0.6
85.02910	4.8
91.03957	2.0
91.05497	4.2
93.07046	5.5
95.04977	0.9
95.08614	2.1
97.02902	3.7
97.06503	0.6
97.10252	0.4
98.11686	0.4
99.04474	0.5
101.02384	1.2
105.07043	3.1
107.08593	2.4
107.81257	0.4
109.02858	0.5
109.10181	0.9
117.07047	1.2
119.08585	2.6
119.13408	0.4
121.10172	1.1
125.00021	0.6
127.03967	1.1
129.05527	0.6
129.07034	0.6
131.08591	1.2
133.10188	1.5
133.83603	0.4
135.11736	1.5
143.08624	0.8
145.10158	1.1
147.11754	1.6
149.13190	0.4
157.10208	0.5
159.11760	0.5
161.13206	0.6
173.13190	0.5
184.07401	1.5
185.04321	1.1
185.57187	0.4
215.17815	0.3
241.06921	0.6
243.08456	2.8
301.09103	1.6
315.10544	0.6
333.20322	2.8
373.11429	0.5
373.23636	0.6
397.18671	0.4
439.19553	0.8
453.21078	0.8
465.21320	0.8
489.95096	0.5
535.28772	6.6
551.28314	4.8
845.50201	100.0
846.50647	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	845.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08171	1.5
61.02932	7.3
65.03924	0.5
67.05505	6.3
69.03426	3.8
69.07079	2.1
69.30420	4.5
71.04996	1.0
71.07391	0.5
73.02922	5.1
79.05494	5.6
81.03456	2.3
81.07065	5.9
83.04996	0.8
83.08630	1.1
85.02912	6.4
86.09711	6.3
87.04444	0.6
87.10055	0.6
90.98922	0.4
91.03954	3.3
91.05476	3.4
93.07053	4.9
95.04972	0.8
95.08611	4.2
97.02895	5.4
97.06545	1.4
98.98450	0.6
99.04482	1.1
101.02390	2.1
105.07048	1.6
107.08581	2.6
107.63294	0.5
109.02876	1.1
109.10191	1.7
117.07075	0.8
119.08596	1.6
121.10142	2.0
123.08086	0.5
125.00000	3.6
127.03960	1.8
131.08589	0.8
133.10159	1.5
135.11722	1.4
137.05826	0.6
145.10164	1.0
153.13177	0.4
162.81422	0.5
184.07361	17.4
185.04175	0.5
185.07735	1.8
243.08469	2.3
312.87076	0.4
349.19858	10.0
349.23700	0.7
439.19409	0.6
519.29309	5.9
567.27734	3.0
731.43335	0.6
747.42578	0.9
748.43518	0.7
845.50232	100.0
846.50555	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	843.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.9
67.05501	4.9
69.03430	2.6
69.07077	2.5
71.07359	0.5
73.02924	3.6
79.05495	4.8
81.03418	1.7
81.07060	5.3
83.05010	0.7
83.08623	1.2
85.02909	3.9
85.06574	0.9
86.09706	1.7
89.27557	0.5
91.03964	2.1
91.05489	5.7
93.07047	5.2
95.04981	1.5
95.08604	3.8
97.02898	4.4
97.06496	0.5
99.04483	1.0
101.02405	1.2
105.07034	4.0
107.04940	0.7
107.08624	3.0
109.02911	1.1
109.10189	1.3
117.07002	0.9
119.08600	1.9
121.10172	1.4
123.11700	0.5
125.00014	1.2
127.03954	1.7
129.05440	0.7
129.07010	0.6
131.08588	1.9
133.10138	3.2
135.08035	0.6
135.11685	1.2
143.08591	0.8
143.52670	0.5
145.10124	1.1
147.11722	1.0
149.78818	0.5
157.10144	0.7
161.13322	0.6
171.11768	0.6
184.07352	5.7
185.04196	0.8
200.08339	0.5
241.69641	0.5
243.08408	3.3
301.09113	1.0
313.17844	1.4
315.10559	1.0
331.15442	0.6
331.18625	2.6
373.11255	0.7
385.18579	0.6
429.17386	0.6
451.19305	0.8
531.25842	2.1
535.28821	8.6
549.26648	3.5
603.27844	0.6
607.31451	1.0
745.41180	3.7
746.41022	0.6
825.47638	10.1
843.48627	100.0
844.49243	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	845.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.4
69.26479	9.2
69.26885	2.6
79.05466	1.5
85.02889	1.4
86.09711	1.7
97.02879	1.2
109.10141	1.7
120.67159	1.1
126.67083	1.1
144.18661	1.2
184.07440	3.8
235.05640	1.2
262.57825	1.1
266.03073	1.1
277.23410	1.2
519.29431	2.7
535.26862	1.4
678.51208	1.1
717.42499	1.4
759.42950	1.9
845.48169	100.0
846.48700	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	845.5018
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.0
65.21072	0.5
67.05516	5.6
69.03439	2.9
69.07077	2.5
69.44224	4.4
71.05029	0.5
71.24364	0.6
73.02916	3.7
73.70343	0.5
79.05479	4.9
81.03422	2.3
81.07059	6.0
83.04971	0.7
83.08632	1.1
85.02906	4.8
86.09700	1.8
91.03947	2.6
91.05474	5.3
93.07043	5.8
95.04987	1.9
95.08598	3.7
97.02905	4.6
97.06571	0.7
98.59190	0.6
99.04460	0.8
101.02399	2.2
105.07026	3.7
107.08607	2.9
109.02927	0.6
109.10155	1.4
117.07046	1.5
119.08617	2.1
121.10173	1.6
125.00030	1.0
127.03902	1.2
129.07036	0.7
131.08592	0.9
133.10136	2.9
135.11726	1.4
143.08643	0.8
145.10178	1.1
147.11732	1.0
159.11679	1.0
166.25229	0.6
177.37071	0.6
184.07338	4.2
184.08684	0.5
185.04205	1.0
243.08412	4.2
259.20615	0.6
268.09692	0.7
301.09094	1.8
313.09042	0.8
315.10587	0.9
325.95734	0.6
333.20566	1.7
341.11963	0.7
439.19540	1.2
441.20697	0.6
453.20941	1.4
465.21051	0.8
535.28717	5.6
551.28357	8.2
623.30804	1.2
845.50146	100.0
846.50610	6.7
847.29169	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	843.4853
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	1.0
61.02928	2.8
61.65821	0.6
67.05504	5.5
67.96877	0.5
68.62551	0.5
69.03443	3.0
69.07069	3.8
71.01347	0.6
71.04993	0.8
71.62524	0.8
73.02920	3.4
79.05499	4.0
81.03426	1.9
81.07060	5.2
83.04969	0.7
83.08616	0.9
85.02911	2.7
86.09689	3.1
87.04475	1.3
89.06036	1.3
91.03952	1.7
91.05483	4.2
93.07038	4.3
95.04978	1.2
95.08623	3.0
97.02882	2.8
97.06557	1.2
97.10177	1.0
99.04448	0.8
101.02376	1.8
105.07027	7.1
106.96341	0.5
107.05005	0.8
107.08604	1.6
109.06459	0.7
109.10143	1.1
117.07047	1.7
119.08541	3.0
121.10162	1.8
125.00032	2.8
127.03950	1.0
129.07051	0.7
131.08586	2.3
133.08578	0.7
133.10139	2.3
135.11745	0.9
137.09605	0.7
145.10138	0.9
147.11760	1.2
149.09677	1.0
159.11696	0.8
160.21666	0.6
167.79062	0.5
177.11292	0.8
179.14307	0.8
184.07344	10.3
185.04218	1.1
185.07736	0.9
243.08429	3.3
288.67117	0.6
301.09268	0.6
315.19421	1.9
331.18607	0.7
333.20346	0.7
352.73688	0.5
453.20905	0.9
533.27264	8.5
535.28955	1.7
549.26672	1.6
551.28125	3.9
843.48621	100.0
844.48798	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	843.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02932	4.6
67.05511	5.3
69.03428	3.5
69.07068	3.7
71.05029	0.6
71.61847	0.7
73.02912	2.7
79.05489	5.1
81.03421	2.1
81.07051	6.5
83.04988	1.2
83.08634	0.9
85.02902	4.1
86.09718	1.3
91.03957	1.9
91.05468	4.4
93.07047	4.1
94.14832	0.5
95.01380	0.7
95.04987	1.5
95.08586	2.8
97.02911	3.2
97.06546	1.3
99.04479	0.7
101.02406	1.3
105.07023	4.3
107.04967	1.0
107.08605	2.6
109.10148	0.5
117.07057	1.3
119.08596	3.3
121.10172	1.7
121.86823	0.5
125.00016	0.7
127.03933	1.0
131.08586	2.0
133.10127	2.7
135.11758	1.6
137.74730	0.6
145.10144	1.4
147.11726	1.1
149.09560	1.2
159.11703	0.8
161.13313	0.7
163.11256	0.6
169.82443	0.5
173.13229	0.6
179.14235	0.6
184.07318	3.7
203.05220	0.5
225.54309	0.5
243.08377	3.8
250.55234	0.5
305.70813	0.5
315.19232	3.2
333.20578	1.7
371.22079	1.0
439.19467	1.0
453.20935	1.0
533.27325	8.4
551.28369	7.0
843.48621	100.0
844.49127	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	843.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02569	1.5
61.02921	3.1
67.05503	5.6
69.03408	2.4
69.07070	4.3
70.05775	1.2
71.21851	3.3
72.02502	1.2
73.02922	3.7
79.05503	5.8
81.03448	2.4
81.07065	7.4
85.02912	4.3
86.09712	9.9
87.09241	3.2
89.06029	4.0
91.03948	3.2
91.05491	6.3
93.07056	5.6
95.01423	1.4
95.04933	1.6
95.08616	3.2
97.02905	4.3
98.98492	1.4
101.02351	1.7
105.07027	9.6
106.07333	1.5
107.05004	1.9
107.08613	4.6
114.59724	1.2
117.07042	1.4
119.08594	2.2
121.10235	1.6
125.00041	8.0
131.08557	1.6
133.08649	1.7
133.10130	2.2
157.06967	1.4
184.07344	27.2
185.04301	1.9
185.07790	2.8
229.90131	1.4
243.08566	3.5
293.57794	1.3
306.36853	1.4
315.19293	3.2
343.00500	1.4
405.07736	1.3
453.20627	1.6
533.27484	6.4
551.28748	6.5
646.48779	1.4
842.97467	3.9
843.48578	100.0
844.48828	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	842.5616
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04974	1.1
60.08173	7.1
61.02916	3.3
65.03942	1.2
67.05506	44.8
68.41143	1.1
69.03430	2.5
69.07063	13.6
71.04992	1.9
71.07361	4.0
71.61433	1.7
73.02911	2.0
79.05048	1.6
79.05496	28.6
81.03406	2.5
81.07061	40.7
83.04981	2.9
83.08608	7.2
85.02894	3.1
85.06546	1.9
85.07651	1.1
86.09712	34.1
91.03970	1.2
91.05486	16.4
93.06458	1.6
93.07047	28.5
95.04950	4.6
95.08613	25.4
97.02893	2.6
97.06512	4.5
97.10146	3.8
98.98466	5.1
101.02361	1.0
104.10785	2.2
105.04483	1.1
105.07037	16.4
107.04954	2.4
107.08604	19.7
109.02863	1.2
109.06497	3.2
109.10156	16.2
111.08072	3.2
117.06998	4.7
119.08584	12.0
121.06447	1.5
121.10166	11.3
123.08042	2.3
123.11687	3.5
124.99179	1.8
125.00014	23.4
125.09634	1.1
127.17976	0.9
129.06969	1.4
131.08568	10.5
133.10143	9.5
135.08038	1.9
135.11700	6.6
137.09624	1.1
143.08563	1.5
145.10114	5.4
147.11688	4.9
149.09608	3.8
149.13277	6.2
157.10161	2.0
159.11658	5.3
161.13234	2.8
163.11235	1.7
163.14835	2.0
171.11725	1.6
173.11745	2.1
173.13266	3.3
178.15971	0.9
183.11723	1.5
184.07349	100.0
189.11160	1.5
195.13783	1.9
213.16315	1.1
227.12701	1.9
229.14389	7.5
243.08206	1.7
243.21011	1.4
257.19064	2.3
261.22220	4.9
269.17459	9.6
275.20056	10.3
293.21106	2.5
335.25842	39.2
349.23734	8.0
367.24811	5.5
401.28653	1.3
437.34015	1.4
489.35913	7.9
529.38843	21.8
609.45087	12.8
627.46051	9.5
682.70966	1.3
842.47302	10.1
843.48767	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	843.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	7.4
67.05507	4.1
69.03439	5.6
69.07079	1.3
69.25364	10.5
70.06593	1.2
71.04985	1.3
73.02927	4.4
79.05496	3.3
81.03413	5.7
81.07058	6.3
83.08604	1.2
85.02921	8.6
91.03961	5.1
91.05499	4.5
93.07062	4.2
95.04966	1.3
95.08612	1.5
97.02892	9.2
98.20702	1.9
99.04465	1.2
101.02374	2.7
105.07043	3.8
107.04971	1.3
107.08578	1.1
107.48151	1.0
109.02901	2.9
110.41392	1.0
111.08175	1.3
119.08615	2.7
121.10210	1.4
127.03922	2.0
129.06970	1.1
131.04924	1.1
131.08557	2.0
133.10165	3.3
147.08023	1.6
157.10197	1.2
177.05511	1.2
185.04184	1.3
243.08475	3.0
268.99280	1.1
347.09625	2.7
405.13693	6.9
453.21097	7.7
466.83243	1.1
469.20679	9.9
473.24185	1.3
615.25909	5.3
631.25861	7.0
681.35181	2.8
843.39801	100.0
844.40546	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	841.4705
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02909	4.4
67.05521	7.7
69.03440	4.7
69.07072	6.0
73.02916	4.4
79.05489	5.4
81.03422	3.1
81.07050	6.1
83.04991	1.3
83.08621	1.7
85.02903	3.0
85.07686	1.0
91.03963	2.0
91.05463	5.9
93.07028	4.5
95.04978	1.9
95.08609	3.9
97.02895	4.0
97.06559	1.3
97.10200	2.3
99.04453	1.0
101.02392	1.6
104.10787	0.9
105.07023	5.9
107.04913	1.2
107.08591	4.1
109.02869	1.0
109.10170	2.0
117.07009	2.1
119.08588	3.6
121.10170	1.8
125.09631	1.5
127.03948	1.6
131.08565	1.3
133.10164	3.0
145.10139	2.2
147.11690	1.3
149.09608	1.2
184.07320	5.4
223.13394	2.6
236.81383	1.1
243.08427	4.5
291.19604	2.6
315.19287	3.8
331.18771	1.5
335.25745	1.4
395.60840	1.2
455.22983	0.9
468.06677	1.1
515.22345	0.9
533.27167	9.0
549.26703	8.6
841.47021	100.0
842.47375	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	841.4704
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02914	4.2
67.05505	9.7
68.28986	0.9
69.03422	3.8
69.07059	6.1
69.32359	9.0
72.09348	0.9
73.02919	3.8
79.05490	6.5
81.03423	3.4
81.07052	10.3
83.04990	2.1
83.08618	2.1
85.02899	3.1
85.06570	0.8
91.03949	1.9
91.05473	7.5
93.07053	6.8
94.01477	0.9
95.04978	2.9
95.08606	6.1
97.02918	2.5
97.06528	3.1
105.07006	7.6
107.04938	2.0
107.08614	3.2
109.06533	2.0
109.10156	1.6
117.07043	2.4
119.08620	3.1
121.10195	1.8
123.08169	1.1
129.07170	1.1
131.08568	1.7
133.10126	4.6
135.11722	1.1
137.68642	0.9
145.10170	2.0
147.11678	1.5
157.10138	1.5
159.11687	1.6
171.11838	0.9
184.07338	2.4
195.13898	0.9
243.08522	3.2
267.90216	1.0
291.45200	1.0
315.19412	3.4
331.18823	1.2
335.26031	1.7
371.22122	1.1
377.47614	1.0
451.19556	1.1
469.18799	1.1
531.25580	1.9
533.27228	11.8
549.27130	6.3
743.39783	4.2
775.18494	1.0
823.45685	11.7
841.47015	100.0
842.47687	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	840.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85628	5.1
67.05510	85.2
69.03416	12.4
69.07072	39.8
69.47068	36.9
78.68833	3.9
79.05494	79.3
81.03420	12.6
81.07060	100.0
83.04975	15.7
83.08611	16.2
85.02897	5.5
85.06567	7.2
86.09690	12.3
91.05487	89.9
91.38982	4.1
93.07052	87.9
95.04985	13.0
95.08614	59.4
97.06522	13.9
97.10184	12.6
99.08083	8.5
105.07033	74.6
107.04973	9.6
107.08588	57.3
108.36000	4.3
109.06497	10.6
109.10205	21.8
111.08087	6.1
117.07035	41.8
119.08576	67.1
121.10143	32.3
123.08064	7.9
123.11702	7.9
125.00016	4.8
125.09645	7.0
125.58324	4.3
128.06210	5.3
129.07011	19.9
131.08580	44.1
133.06497	5.4
133.10132	54.8
135.11687	21.0
141.07002	8.1
143.08557	21.7
145.06462	4.9
145.10127	35.6
147.11679	36.1
149.09625	10.9
149.13248	10.3
153.85345	4.4
155.08569	13.1
157.10103	28.3
159.11676	33.6
161.09612	5.0
161.13284	17.7
163.11215	10.5
165.12906	4.7
167.08612	6.7
169.10086	12.5
171.11731	23.6
173.13261	20.8
175.14845	10.9
179.08595	4.2
181.10107	7.1
183.11732	11.2
184.07336	28.8
185.13295	12.7
187.14786	7.3
195.11771	7.6
197.13290	6.4
209.13367	5.6
211.85931	4.7
213.16487	8.0
241.19470	23.6
249.93765	4.6
255.15932	14.2
257.19019	6.9
259.20596	49.5
269.17505	20.0
273.18219	5.4
275.20114	24.3
297.22205	5.3
333.24222	35.0
349.23758	8.9
414.30902	4.6
435.32404	9.1
446.82919	4.5
509.35721	6.0
513.35693	13.6
525.35651	5.8
527.37323	37.8
545.37970	12.3
607.43817	25.7
625.44379	24.4
856.14832	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	840.5468
Annotation	Unknow
Peak:m/z	Relative Intensity
60.46811	1.5
61.02893	2.9
65.03941	4.4
67.05505	80.4
68.05832	1.7
68.82969	1.5
69.03428	16.0
69.06709	3.1
69.07069	50.5
69.63548	3.4
69.63960	8.7
71.01398	1.7
71.04707	1.4
71.04997	17.2
73.02898	4.7
77.03949	1.9
79.05492	74.3
80.05851	1.9
81.03417	15.6
81.07056	83.7
83.04980	13.3
83.08625	11.7
85.02898	9.5
85.06532	5.3
86.09737	1.9
91.03968	2.1
91.05486	51.9
93.07041	65.9
95.04971	14.4
95.08607	50.0
97.02888	13.2
97.06534	77.4
97.10171	5.0
99.04476	3.6
99.08083	4.9
105.04508	1.6
105.07025	30.4
107.04928	6.3
107.08595	33.4
109.02850	6.0
109.06526	20.4
109.10161	20.0
111.08092	7.5
113.05993	2.7
114.10300	3.1
115.07570	26.8
117.07019	20.6
119.08581	27.0
121.06485	6.4
121.10142	26.0
123.08072	6.9
123.11692	4.9
125.09622	3.1
127.03922	6.3
127.07598	3.0
129.05519	2.6
129.07008	9.0
131.08575	23.6
133.06485	5.6
133.10132	21.8
135.08051	8.1
135.11679	14.7
137.09616	2.6
141.06972	3.1
143.08553	7.4
145.06516	3.4
145.10152	17.2
147.08022	4.9
147.11694	12.8
149.09634	5.8
149.13257	13.1
151.11099	4.2
155.08568	3.4
157.10155	8.5
159.08031	3.7
159.11739	12.6
161.09627	6.2
161.13246	6.3
163.11203	4.6
163.14806	3.0
169.10149	3.7
171.11658	6.1
173.04422	7.1
173.09689	3.1
173.13318	6.7
174.37764	1.9
175.11168	3.1
175.14818	2.4
177.12787	3.7
184.07356	4.7
185.13258	4.6
187.11128	2.2
187.14897	2.6
189.12720	2.1
189.16312	2.6
195.11667	2.5
195.13837	2.9
199.14844	2.6
201.16481	2.7
203.14320	1.8
205.12361	2.1
217.15851	9.0
227.17839	1.7
232.02415	1.7
233.15443	2.8
243.21001	2.3
245.19003	3.4
253.14264	4.6
255.17603	3.2
259.20679	1.9
261.22153	7.0
263.20093	2.2
269.17426	11.4
273.18494	30.2
291.19574	13.6
297.16730	2.7
304.66092	1.6
307.19040	4.8
335.25806	100.0
336.26141	3.4
347.22202	13.2
365.23184	10.0
526.99677	1.7
529.38812	23.0
531.36609	2.8
538.42432	1.7
567.40320	3.0
607.43286	7.3
625.44525	16.0
643.44971	5.4
667.44958	1.8
787.48529	2.9
841.46637	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	839.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
69.95071	78.8
81.03445	22.7
85.02911	24.5
87.33092	16.0
98.20741	24.3
104.87862	17.9
109.02903	19.4
119.00217	13.8
119.01935	28.8
124.41456	14.7
153.01869	17.3
160.01540	14.6
245.05298	20.7
259.02228	28.5
277.03436	69.3
303.01364	22.8
651.30914	19.5
839.03259	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	5.2
61.07991	3.6
65.03928	3.0
67.05505	100.0
69.03429	23.0
69.07071	65.7
69.34473	26.3
71.05000	26.2
73.02911	6.1
74.44951	2.7
79.05045	6.3
79.05495	99.4
81.03417	22.6
81.07059	94.4
83.04977	11.5
83.08616	10.4
85.02908	13.2
85.06577	4.5
89.96915	3.0
91.05488	63.4
93.07048	96.4
95.04988	15.6
95.08614	57.2
97.02872	8.9
97.06532	99.3
97.10177	4.3
99.04446	7.4
99.08112	6.1
105.04502	3.1
105.07032	39.6
107.04955	11.5
107.08606	39.8
109.02904	6.0
109.06534	21.0
109.10130	20.7
111.08064	10.1
115.07572	34.5
117.07025	24.9
119.08585	33.0
121.06517	7.6
121.10139	24.7
123.08053	7.7
123.11709	5.9
125.09585	3.8
127.03917	7.8
128.06230	4.1
129.07005	12.4
131.08572	31.8
133.06519	5.1
133.10126	30.9
135.08075	11.2
135.11725	16.6
137.09608	6.0
141.07010	3.4
143.08607	4.8
145.10167	26.0
147.08069	10.1
147.11707	12.2
149.09627	7.7
149.13283	12.0
151.11157	8.0
155.08531	5.0
157.10126	7.9
159.11682	21.6
161.09619	10.4
161.13301	6.1
163.11205	5.4
169.10144	4.9
171.11693	5.9
173.04471	7.6
173.13274	6.4
175.11211	6.2
175.14850	4.0
182.88121	3.0
183.11670	3.7
184.07304	4.6
185.13210	3.7
187.11198	4.1
195.13785	4.3
199.14796	5.0
201.16443	3.5
217.15919	9.1
237.16580	3.0
245.18977	5.1
253.14384	9.2
255.17580	4.4
259.20703	3.4
261.22137	11.1
269.17462	24.1
273.18500	38.2
291.19553	22.3
307.19168	4.9
333.24435	5.0
335.25836	93.8
347.22107	17.7
365.23221	9.3
389.15546	3.3
444.06989	3.1
515.37311	5.3
529.38867	33.5
555.40167	4.7
607.43500	4.4
614.47668	3.7
625.44354	15.3
640.25281	3.8
643.45154	3.9
728.98834	3.9
841.44342	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	838.5309
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	68.1
69.03426	9.3
69.07067	34.8
71.62298	4.7
71.62666	3.6
79.05492	57.4
81.03408	6.7
81.07052	49.1
83.04977	7.4
83.08613	18.4
85.06550	5.2
86.09724	4.1
87.04472	13.0
89.06036	4.7
91.05477	53.3
92.70630	3.1
93.07051	49.8
95.04958	16.4
95.08608	33.2
97.02882	6.5
97.06519	9.9
97.10184	16.8
105.07025	84.8
106.07368	6.1
107.04940	9.4
107.08607	36.2
109.06524	4.1
109.10154	16.0
111.08125	4.4
115.05458	3.9
117.07021	18.8
118.31639	3.5
119.08587	44.2
120.45814	3.3
121.06447	4.1
121.10165	20.6
123.08107	4.1
125.09623	14.9
128.06218	4.4
129.07001	14.4
131.08574	25.7
133.08592	4.3
133.10136	31.5
135.08107	6.2
135.11700	11.8
143.08549	14.3
145.10104	22.6
147.08063	11.5
147.11681	23.5
149.09589	5.2
149.13277	8.4
155.08575	7.1
157.10147	14.1
159.11678	11.1
161.09653	3.9
161.13263	20.4
163.11208	4.1
165.95320	3.4
169.10143	7.7
171.11719	10.7
173.13254	10.7
175.11143	4.0
175.14867	9.9
183.11700	6.7
184.07321	12.6
185.13290	10.2
187.14841	5.9
189.11168	12.2
199.14854	5.0
215.17932	4.2
223.13091	16.5
227.12839	11.1
231.21071	6.1
241.19557	14.7
249.14835	4.2
259.20605	38.6
273.18579	7.8
275.20090	8.7
291.19540	100.0
315.23279	9.7
333.24265	39.2
349.23712	6.1
365.23199	38.0
525.35614	10.9
529.35657	4.0
543.36530	12.1
549.39313	5.7
605.42163	5.2
623.42944	51.4
624.42871	4.7
641.43622	6.7
780.44897	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	838.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03941	4.5
65.18995	2.5
67.05163	4.3
67.05508	78.9
69.03429	5.9
69.07072	30.7
70.19188	5.0
70.19583	6.0
71.04996	5.6
76.06185	2.8
79.05052	3.7
79.05495	64.1
81.03411	7.4
81.07059	73.6
83.04993	13.3
83.08634	13.9
85.02902	6.4
85.06522	6.6
87.04461	4.6
88.73517	2.8
91.05482	100.0
93.07048	69.6
95.04974	17.8
95.08611	48.1
97.06506	10.5
97.10153	7.9
105.07036	96.1
107.04968	10.1
107.07941	4.3
107.08604	51.9
109.06501	8.9
109.10162	49.5
111.08082	5.5
113.65289	2.4
117.07024	21.2
119.08597	43.3
121.06492	10.1
121.10158	20.4
123.08097	4.8
123.11686	11.4
125.09616	5.9
127.07603	3.0
128.06227	4.9
129.06985	11.6
131.08577	33.1
133.10129	81.1
135.08029	9.6
135.11662	14.5
137.09550	4.1
141.06937	5.0
142.07780	3.6
143.08585	15.5
143.13622	2.9
145.10130	21.2
147.08080	5.3
147.11687	30.0
149.09599	4.0
149.13231	5.0
151.11166	30.2
157.10155	12.8
159.11723	18.1
161.09607	7.4
161.13304	17.9
169.10109	5.5
169.12239	4.0
171.11687	10.4
173.13232	8.3
175.11143	4.5
175.14859	6.3
184.07372	4.9
185.13254	7.8
187.14793	4.0
189.12714	2.7
195.11713	3.3
199.14868	6.1
207.11845	3.3
227.18129	3.2
231.20975	4.7
241.19508	17.0
245.19046	4.7
253.14371	62.5
257.18973	3.9
259.20554	35.0
263.20193	3.0
271.15302	4.4
273.18472	15.8
283.15543	3.2
289.18076	5.6
291.19510	15.9
315.23227	7.7
333.24319	39.4
335.25735	10.9
347.22198	3.5
363.21625	4.4
365.23120	25.0
391.30075	2.6
472.71490	2.7
501.35379	4.5
511.33926	11.0
527.42377	3.4
529.35144	15.9
531.37646	3.8
605.41620	5.9
623.43018	34.1
624.44208	3.0
641.43402	5.8
727.88000	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	836.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04988	1.1
61.02677	0.6
61.02929	6.1
65.03911	0.8
65.67046	0.5
67.05506	18.5
69.03425	1.8
69.07073	6.1
71.01350	0.8
71.04983	2.1
73.02900	2.5
79.05493	15.8
81.03414	5.8
81.07056	28.5
82.07377	0.5
83.01344	2.6
83.04980	5.8
83.08620	7.9
85.02904	8.0
85.06548	1.4
91.03960	3.6
91.05477	8.5
93.07043	22.6
95.04961	3.8
95.08616	7.1
97.02892	4.2
97.06542	3.9
97.10163	1.2
98.21537	0.7
99.04457	1.6
99.08105	0.8
105.07039	5.7
107.04973	2.9
107.08595	12.5
109.02872	0.9
109.06518	3.5
109.10154	1.4
111.04459	1.6
111.08079	1.7
113.34092	0.6
117.07006	5.0
119.08570	3.7
121.06513	1.9
121.10149	6.4
123.04464	0.5
123.08074	3.1
123.11744	1.5
125.05983	1.2
125.09677	0.7
127.03899	1.1
129.07011	0.7
130.07770	0.6
131.04945	0.5
131.08560	4.2
133.10130	5.5
135.08083	1.0
135.11687	8.7
137.09618	0.9
143.08540	0.6
145.04990	1.3
145.10106	6.5
147.08043	1.4
149.09496	0.5
149.13263	5.5
150.24158	0.5
153.12759	0.7
159.11687	2.0
163.06001	1.6
163.11174	9.5
173.09650	1.2
177.12721	1.1
178.23421	0.5
181.12283	0.9
191.10744	0.7
195.13812	4.8
209.11789	2.5
213.14929	0.8
227.12755	1.3
251.16463	0.9
267.15887	0.9
269.17480	19.2
283.15399	24.0
360.93784	0.5
459.27505	2.1
468.82074	0.5
477.28482	100.0
478.28879	2.8
621.32379	1.0
862.98792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4432
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	1.0
61.02926	6.9
65.03945	2.4
67.05505	36.2
69.03445	4.9
69.07058	11.2
69.44057	4.6
69.44466	2.2
71.04981	5.6
71.08646	0.9
73.02917	2.5
79.05492	29.2
81.03419	46.7
81.07056	52.9
83.04984	10.5
83.08618	21.8
85.02901	22.6
85.06537	3.2
87.43994	0.9
91.03954	3.9
91.05476	26.4
93.07041	36.5
93.86990	0.9
95.04972	17.1
95.08606	13.7
97.02895	7.1
97.06517	6.1
97.10175	2.1
99.04459	1.9
99.08080	2.0
105.04497	1.0
105.07027	21.5
107.04952	4.4
107.08604	19.7
109.06499	4.3
109.10154	4.1
111.04465	1.7
111.08073	7.8
113.05989	2.2
115.05459	1.0
117.06995	4.5
119.04964	1.1
119.08574	12.7
121.06467	2.1
121.10148	14.6
123.11703	2.5
125.09689	1.1
127.03899	2.9
129.06996	7.1
131.08574	14.9
133.06483	3.0
133.10133	14.3
135.08038	1.7
135.11690	5.3
137.05948	1.0
137.09618	2.5
142.07767	1.7
145.04932	2.1
145.10124	2.0
147.04416	1.1
147.08060	2.1
147.11678	9.0
149.09604	3.3
149.13266	10.6
151.11212	1.5
157.10117	10.7
159.11696	5.1
161.09631	3.1
163.06027	2.0
163.11195	1.6
165.12703	2.2
167.07028	2.0
175.11189	9.9
177.12802	2.4
181.04915	0.9
189.09126	1.2
193.12247	22.8
195.13821	5.4
211.13307	27.0
212.13647	1.4
251.16420	1.0
263.72748	0.9
267.15906	21.9
269.17471	46.1
271.62079	0.9
285.16953	26.4
328.72678	0.9
351.14172	1.7
435.27332	1.8
443.27805	2.5
461.28995	49.0
462.29120	1.4
479.30042	100.0
480.30099	4.4
522.00891	0.9
623.34076	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	829.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	6.5
66.01868	0.3
67.05505	7.5
69.03434	4.0
69.07086	2.0
69.21980	0.4
69.27271	3.0
69.27692	1.0
71.01347	0.5
71.04993	0.5
73.02927	4.3
73.03306	0.6
77.47085	0.3
79.05492	4.6
81.03431	2.2
81.07053	6.5
83.04980	0.5
83.08630	1.0
85.02907	5.4
87.04501	0.6
87.54772	0.3
91.03975	2.6
91.05480	3.4
93.07045	5.0
95.04996	0.8
95.08609	4.3
97.02893	5.0
97.06574	0.5
99.04483	1.1
101.02381	1.8
105.07050	2.5
107.08602	2.5
109.02884	0.4
109.10178	1.3
115.03934	0.5
117.07057	0.8
119.08601	1.3
121.10152	2.4
127.03923	1.5
131.08574	1.3
133.10149	1.3
135.11714	1.1
145.10146	1.1
147.11656	0.7
149.13280	0.5
184.07422	0.6
185.04279	0.8
243.08447	2.7
333.20465	2.6
339.34949	0.4
439.19455	0.6
453.20947	1.0
519.29358	7.1
551.28284	4.5
731.43091	0.7
780.16132	0.4
807.84326	0.4
829.50720	100.0
830.50861	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	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	4.3
65.03938	0.5
67.05502	3.7
69.03427	3.1
69.07074	2.1
71.04970	0.4
73.02907	3.5
79.05493	5.8
81.03417	2.1
81.07059	4.7
83.05000	0.7
83.08630	0.6
85.02913	5.0
86.09717	0.7
87.04477	0.4
91.03964	3.5
91.05485	5.5
93.07039	6.4
93.07606	0.4
95.04975	0.7
95.08603	2.7
97.02897	4.0
97.06563	0.5
97.10204	0.6
97.32617	0.4
99.04470	0.8
101.02361	1.9
103.05476	0.5
105.07030	5.1
107.08601	2.5
107.54783	0.4
109.02896	0.8
109.06510	0.5
109.10183	0.7
115.03938	0.4
117.07036	1.6
119.08573	3.6
121.10142	2.3
122.59526	0.3
123.11723	0.4
125.00047	0.8
127.03939	1.5
129.05473	0.5
129.07025	0.9
131.08598	1.5
133.10146	2.6
135.11725	1.2
137.05988	0.4
138.04558	0.4
139.13385	0.4
143.08582	0.8
145.10167	0.8
147.11691	1.8
148.43047	0.4
149.13274	0.6
157.10097	0.6
159.11768	1.3
161.13258	0.8
171.11719	0.6
173.13330	0.6
184.07404	2.4
185.04250	1.3
185.13365	0.4
201.03833	0.7
203.05289	0.4
243.08449	4.1
259.20670	0.8
301.08908	2.0
313.09009	0.8
315.10245	1.7
317.20993	1.7
373.10858	0.6
373.23331	0.4
385.18301	0.7
423.19760	0.4
429.17581	0.7
439.23599	0.4
465.21143	1.9
477.05203	0.4
495.22055	0.5
525.23260	1.9
535.28754	15.7
536.29230	0.5
607.31256	2.2
621.32465	0.7
635.33948	0.6
829.50696	100.0
830.50879	9.6
839.79077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.507
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73019	0.4
61.02930	5.1
67.05508	6.2
69.03436	4.2
69.07078	1.9
71.01371	0.5
71.11752	1.0
71.41112	0.4
73.02927	3.4
79.05505	4.4
81.03432	2.1
81.07059	6.8
83.08645	0.6
85.02908	5.5
87.04492	0.5
91.03955	2.8
91.05487	3.3
93.07055	5.4
95.04984	0.6
95.08611	4.5
97.02892	4.5
99.04474	1.0
101.02398	3.0
105.04520	0.5
105.07048	2.7
107.08609	2.4
109.02902	0.9
109.10168	1.2
117.07008	0.9
119.08609	2.0
119.76007	0.5
121.10168	1.7
127.03944	1.2
131.08589	1.0
133.10170	1.3
135.11699	0.8
145.10153	0.8
147.11742	0.7
149.13278	0.6
176.39230	0.5
184.07469	0.7
185.04214	0.8
187.14943	0.5
243.08553	2.0
333.20419	4.6
334.02380	0.5
335.26022	0.6
439.19061	0.5
465.21277	2.0
519.29346	8.0
551.28210	3.5
743.43829	1.3
829.50745	100.0
830.51086	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	829.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05514	4.0
71.61887	3.1
81.07059	4.8
91.05503	3.5
95.08626	3.6
105.07072	3.5
106.73368	1.7
107.08601	1.9
109.10157	2.4
120.96291	1.6
124.24238	1.7
140.16563	1.5
176.35898	1.7
217.11349	1.7
479.61795	1.7
728.60217	2.2
811.48871	3.7
829.49084	100.0
830.49225	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	5.6
62.75130	0.4
67.05511	8.5
69.03438	4.2
69.07070	1.5
71.01366	1.0
71.04980	0.7
73.02920	4.5
79.05499	4.6
81.03435	2.0
81.07066	6.9
83.04979	1.6
83.08639	1.0
85.02910	6.2
91.03958	2.9
91.05484	4.8
93.07048	5.9
95.04992	1.2
95.08621	3.3
97.02911	4.6
97.06569	0.6
98.21506	1.0
99.04449	0.4
99.08130	0.5
101.02403	2.1
105.07023	4.2
105.07658	0.4
106.07390	0.5
107.04969	0.7
107.08620	3.0
109.02879	0.9
109.06531	0.5
109.10165	3.0
119.08579	1.9
120.08822	0.4
121.10169	2.0
123.08105	0.5
123.11726	0.5
125.00048	0.5
127.03939	0.9
131.08604	1.3
132.83060	0.4
133.10159	2.4
135.08081	0.7
135.11694	1.3
137.13345	0.4
145.10109	0.9
145.97061	0.4
151.11217	0.5
159.11734	0.8
173.13531	0.7
184.07397	1.2
185.04256	0.7
185.13371	0.4
193.12213	0.5
195.01289	0.4
222.34709	0.5
229.18846	0.5
243.08430	3.1
247.65251	0.4
331.18851	3.8
335.25992	0.6
387.21518	0.4
444.59006	0.4
519.29291	6.8
523.19849	0.4
531.25482	0.5
549.26715	6.1
729.41901	0.6
743.10596	0.5
809.47876	2.0
827.49188	100.0
828.49634	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	827.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58912	0.4
61.02929	6.8
67.05502	8.1
69.03423	4.0
69.07079	2.1
69.32753	4.4
71.01353	0.8
71.04991	0.8
73.02924	4.5
79.05492	5.0
81.03422	2.3
81.07061	7.8
83.04976	0.9
83.08624	1.1
84.23674	0.5
85.02908	6.5
86.09745	0.8
87.04439	0.5
91.03962	3.8
91.05484	3.9
93.07037	5.6
95.04978	1.4
95.08607	6.0
97.02895	6.1
97.06540	0.7
99.04464	1.0
101.02383	2.3
102.68528	0.4
105.07015	2.5
107.08593	3.4
109.02879	0.9
109.10170	2.0
117.07066	0.9
117.60777	0.4
119.08619	1.6
120.13661	0.4
121.06499	0.5
121.10178	2.2
123.11759	0.7
127.03931	1.3
129.06990	0.7
131.08583	1.3
133.10152	1.8
135.11729	1.3
145.05061	0.7
145.10130	0.8
147.11736	1.1
149.13280	0.8
159.11700	0.7
161.13226	0.6
184.07457	1.9
243.08446	2.1
249.18672	0.5
313.17838	1.6
331.18802	5.5
335.25851	0.8
337.27530	1.3
338.27985	0.6
451.19598	0.8
518.39313	0.5
519.29309	12.1
531.25684	1.1
532.40948	0.8
549.26917	1.4
729.42114	3.1
809.47980	12.0
827.49146	100.0
828.49402	7.4
841.86816	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06121	0.6
61.02930	4.4
64.71823	0.3
67.05511	3.7
69.03429	2.7
69.07069	2.7
69.23236	2.5
69.23651	0.6
71.01392	0.5
71.05012	0.6
73.02916	3.0
79.05494	5.3
81.03410	1.8
81.07066	4.1
83.08624	0.5
85.02903	3.4
86.09711	0.7
91.03960	2.8
91.05482	3.8
93.07046	4.2
95.01319	0.5
95.04995	1.0
95.08607	3.3
97.02901	3.6
97.06557	0.9
97.10160	0.3
99.04464	0.7
101.02354	1.5
105.07029	5.1
107.04943	0.9
107.08589	2.6
109.02853	0.6
109.10194	1.0
117.07008	0.8
119.08591	3.4
121.06489	0.4
121.10170	0.9
127.03978	1.0
129.05530	0.3
129.06998	0.6
131.08598	1.6
133.10115	2.7
135.08047	0.3
135.11703	1.1
145.10139	1.2
147.11711	1.7
149.09657	0.7
149.13312	0.4
157.10181	0.6
159.11729	1.0
161.13330	0.9
171.11629	0.4
179.14317	0.6
184.07372	1.5
185.04280	0.7
203.05295	0.5
214.86760	0.3
243.08408	2.9
261.80627	0.3
265.66437	0.3
275.20160	0.6
278.17889	0.3
301.09116	1.0
310.75754	0.3
313.08771	0.4
315.10660	0.7
315.19272	3.8
341.12198	0.4
352.62503	0.3
355.13553	0.3
369.15295	0.4
371.17249	0.6
371.21945	1.3
373.11319	0.5
465.20956	0.6
495.22443	0.5
505.28375	0.3
509.24213	0.3
517.26776	0.3
533.27289	9.9
533.35175	0.7
534.28192	0.4
535.28802	7.1
605.29578	0.9
633.32758	0.7
794.74506	0.3
827.49164	100.0
828.49487	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	827.4917
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.8
67.05507	5.3
69.03433	3.8
69.07061	1.8
71.01349	0.6
71.05006	0.7
71.05907	0.8
73.02917	3.9
79.05490	3.0
81.03427	1.5
81.07059	4.9
83.08613	0.7
84.92284	0.3
85.02912	4.8
87.04482	0.4
91.03955	3.2
91.05500	2.2
91.61793	0.3
93.07040	3.8
95.04952	0.8
95.08609	3.8
97.02895	5.5
97.03493	0.4
97.10177	0.6
99.04457	1.0
101.02392	1.2
104.91084	0.4
105.07040	1.5
107.08621	1.8
109.02908	0.6
109.10154	1.7
115.03954	0.6
117.07061	0.5
119.08590	1.3
121.10153	1.7
123.11740	0.5
125.09673	0.8
127.03958	1.3
131.08603	0.8
133.10146	0.5
135.11739	0.8
145.10207	0.7
147.11763	0.5
184.07382	0.6
185.04222	0.4
209.74352	0.3
215.62515	0.4
221.86349	0.3
223.13400	0.9
243.08476	2.6
291.19769	0.9
331.15442	0.4
331.18735	1.8
519.29309	9.9
549.26740	2.6
827.49176	100.0
828.49127	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	827.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.8
65.03936	0.6
66.78221	0.5
67.05503	4.2
69.03428	4.7
69.07060	1.5
71.01349	0.5
71.04985	0.7
71.31651	0.6
71.31980	0.8
73.02920	5.1
79.05494	3.5
81.03425	2.2
81.07064	7.7
83.08610	1.4
85.02913	7.3
91.03967	4.7
91.05481	2.4
93.07056	4.5
95.04978	0.7
95.08613	2.0
97.02901	8.1
97.06538	1.2
99.04502	1.1
101.02390	2.0
105.07082	0.7
107.08606	2.4
109.02880	0.9
109.10153	0.6
115.03919	0.8
117.07042	1.0
121.10126	1.6
127.03897	2.7
131.08585	0.8
133.10123	1.4
135.11703	1.4
149.13260	3.6
159.11700	1.4
177.12782	0.8
185.04245	1.0
186.33925	0.5
195.13863	1.1
203.05325	0.7
212.32378	0.5
232.67612	0.5
235.13129	1.8
243.08409	2.4
269.17496	1.0
291.15775	1.3
302.64929	0.5
347.09491	2.6
363.09335	0.6
365.10626	1.1
405.13736	6.4
453.20956	16.3
463.66470	0.5
601.39783	0.6
615.26306	12.5
665.34552	2.5
827.40417	100.0
828.40643	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	827.4041
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02933	7.9
65.03918	0.5
67.05511	5.2
69.03432	5.7
69.07072	2.0
71.04982	1.0
71.61137	0.8
73.02926	6.2
79.05499	1.9
81.03429	1.9
81.07072	6.3
81.07529	0.9
83.05001	0.6
83.08633	1.8
85.02909	7.6
87.04480	0.8
91.03954	4.5
91.05476	2.5
93.07055	4.7
95.04980	0.7
95.08631	1.8
97.02904	8.3
97.06523	0.7
99.04472	1.6
101.02375	3.4
103.04005	0.6
105.07054	1.1
107.08626	2.7
109.02901	1.4
115.03905	0.6
117.07053	0.6
121.10126	1.2
127.03934	2.7
127.74087	0.5
131.08594	1.2
133.06488	0.6
133.10161	1.5
135.08041	0.5
135.11751	0.8
149.13249	2.6
159.11748	1.5
185.04277	1.4
195.13889	1.9
203.05328	1.1
214.57217	0.4
217.13692	0.5
235.13139	1.8
243.08528	2.0
269.17557	1.0
291.15649	0.8
341.50400	0.5
347.09570	2.6
365.10635	0.9
405.13733	6.0
449.65463	0.6
453.20978	16.6
454.21353	0.8
596.66010	0.6
615.26288	13.0
616.26587	0.7
665.34906	2.5
723.39465	0.8
827.40442	100.0
828.40790	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	825.4759
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.2
62.93377	0.6
67.05518	4.6
69.03433	2.6
69.07073	4.9
71.61295	0.8
73.02924	2.7
79.05481	4.9
81.03428	2.9
81.07060	4.9
85.02921	2.6
86.09720	1.0
91.03960	2.7
91.05495	5.6
93.07050	4.2
95.01340	1.1
95.04976	2.3
95.08607	4.8
96.16906	0.5
97.02907	2.8
97.06528	1.3
99.04478	0.8
101.02394	1.7
103.72869	0.7
104.77831	0.7
105.07034	5.6
107.04967	2.4
107.08598	2.4
109.06543	0.7
109.10168	1.9
113.09634	0.7
115.26058	0.7
117.07029	1.6
119.08585	3.9
121.06471	0.7
121.10130	1.4
123.08060	0.8
124.21703	0.6
125.00026	0.9
127.03953	0.9
129.42055	0.7
131.08591	2.5
133.10153	3.4
135.11655	0.7
137.09648	0.7
145.10190	2.3
147.11664	1.3
149.09645	1.1
159.11740	1.4
161.13304	1.2
163.11293	1.1
179.14323	2.2
184.07404	1.9
243.08398	3.8
267.39349	0.6
275.20105	1.6
285.66830	0.7
315.19312	5.6
327.97055	0.7
371.22073	2.2
399.23416	0.8
533.27283	19.3
533.35132	1.1
534.28961	0.7
825.47534	100.0
826.47424	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	827.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	6.9
65.03925	0.8
67.05516	6.6
68.05869	0.7
69.03426	3.8
69.07063	1.4
71.01355	1.0
71.05006	1.0
71.61594	1.6
73.02915	3.8
79.05505	2.8
81.03416	2.6
81.07056	7.4
83.04961	0.7
83.08641	1.0
85.02911	9.9
87.04456	0.9
91.03971	5.4
91.05486	2.9
93.07047	5.0
95.04974	1.4
95.08608	2.6
97.02902	7.3
97.06602	0.7
99.04463	1.0
99.08079	0.9
101.02394	2.7
105.07025	1.2
107.08601	3.1
109.02872	1.6
109.10217	0.9
115.03942	0.9
117.07051	1.3
119.08644	1.0
121.10174	1.6
127.03948	2.8
131.08575	1.2
133.10139	1.9
135.11723	1.4
149.13306	3.1
158.04369	0.6
184.07458	1.0
185.04216	0.9
202.07040	0.7
203.05374	0.9
235.13126	2.2
243.08400	2.3
269.17563	1.0
271.14081	1.4
291.15765	1.4
335.60858	0.7
345.50076	0.8
347.09592	2.6
394.65936	0.9
405.13757	5.7
453.20981	18.0
522.71252	0.8
615.26202	12.6
665.34943	2.5
690.45953	0.8
827.40393	100.0
828.40436	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05207	2.3
65.03936	5.7
66.65399	2.1
67.05508	100.0
69.03429	12.0
69.07066	29.3
71.04980	3.9
79.05056	5.3
79.05498	88.7
80.05763	2.7
81.03423	9.4
81.07056	84.5
83.04967	9.9
83.08627	28.2
85.02892	5.3
85.06531	3.4
87.04476	3.4
91.04951	4.6
91.05484	59.6
93.07049	75.8
95.04951	10.2
95.08607	58.7
97.02863	3.7
97.06519	11.0
97.10173	60.0
99.08092	2.9
105.06364	4.7
105.07026	64.2
105.74197	2.5
107.04950	6.9
107.08595	96.1
109.06512	6.9
109.10154	33.4
111.08089	4.0
116.07061	5.2
117.07022	18.2
119.08586	35.1
121.06541	3.0
121.10152	30.8
123.08041	4.0
123.11690	10.8
125.09634	51.5
127.03928	3.7
129.07033	3.9
131.08569	25.4
133.10133	32.6
135.08043	10.9
135.11707	17.9
143.08565	5.5
145.10133	35.8
147.11702	18.2
149.09601	15.0
149.13251	7.1
151.11234	4.4
153.09056	4.2
155.08685	2.6
157.10069	7.5
159.11754	17.4
161.13275	6.9
163.11229	3.6
163.14822	3.9
169.10162	3.2
171.10225	4.0
171.11630	6.4
173.13321	11.9
175.14767	5.2
181.12289	3.3
183.11685	5.5
184.07338	4.3
185.13264	5.2
187.14742	5.8
189.11209	33.4
197.13269	5.4
209.13292	4.0
220.75934	2.6
227.12788	91.2
239.17879	3.1
241.19408	3.0
243.21071	3.4
245.13847	4.4
257.18909	16.6
259.20493	6.8
261.22156	17.7
264.55151	3.4
275.20053	65.9
293.21063	3.6
317.24692	3.2
329.17273	2.4
331.22647	9.7
333.24106	6.0
335.25812	94.9
337.27115	2.7
349.23761	67.9
350.23880	3.5
351.25323	3.5
389.17743	3.8
487.34116	4.4
505.35129	12.8
517.40192	2.9
531.32562	2.7
535.41400	3.1
591.43402	3.2
594.45520	2.9
609.45148	85.7
610.45276	5.7
627.46417	16.1
649.39807	2.8
825.47284	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05508	72.4
69.07051	26.9
79.05497	59.8
81.07063	71.5
83.08614	6.8
86.09692	12.9
89.05992	5.6
91.05473	61.8
93.07056	62.8
95.04958	8.0
95.08606	44.7
97.10188	7.3
101.07156	6.7
105.07037	76.5
107.08601	36.7
109.06500	8.8
109.10152	19.7
117.07020	31.2
118.95580	5.8
119.08585	50.9
121.10138	28.0
123.11688	8.9
125.00039	7.7
129.06990	24.2
131.08562	46.1
133.10092	40.7
135.11650	12.5
141.06982	12.3
143.08560	24.6
145.10147	45.3
147.11638	18.1
149.13199	9.0
155.08522	14.6
157.10110	28.0
159.11708	29.6
161.13263	13.4
165.30292	6.6
167.08549	9.4
169.10114	21.9
171.11644	17.1
173.13283	17.6
179.08655	7.5
183.11679	18.4
184.07362	46.1
185.13269	13.3
195.11761	7.3
197.13141	10.8
199.14925	10.7
209.13246	10.7
211.14664	8.4
215.89212	5.8
223.14912	9.1
227.18134	6.9
257.18976	8.3
326.66580	7.4
333.24185	6.5
347.26080	5.8
517.40186	14.2
527.63220	6.7
535.41309	9.3
541.37512	6.4
568.53784	8.2
591.43787	15.6
609.45160	100.0
627.86993	6.2
714.74536	6.4
825.45007	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	3.9
65.03934	4.8
67.05507	93.3
68.59697	1.3
69.03427	8.6
69.07074	29.1
71.04990	6.0
73.02889	1.9
79.05495	76.1
81.03440	11.1
81.07061	100.0
83.04985	8.8
83.08613	13.1
85.02922	7.2
85.06541	3.4
87.91700	1.4
91.05483	56.2
93.07049	82.0
95.04973	11.7
95.08611	55.2
97.02883	6.9
97.06526	14.7
97.10175	5.5
99.08080	4.9
105.04525	2.5
105.07030	46.6
107.04955	5.6
107.08603	42.9
109.06527	6.1
109.10155	20.9
111.08088	5.2
113.12494	1.4
115.05431	1.6
117.07026	17.5
119.08591	27.0
121.06510	2.7
121.10151	29.3
123.04456	1.4
123.08053	4.2
123.11739	6.8
125.09647	2.4
125.92145	1.5
127.03915	2.4
128.06195	1.8
129.07018	6.2
131.07695	1.1
131.08571	26.2
133.06499	1.6
133.10133	25.9
135.08060	4.0
135.11694	22.6
137.09613	3.1
137.13269	2.2
141.06987	2.3
143.08549	3.9
145.06462	1.9
145.10129	17.3
147.11690	11.7
149.09633	9.1
149.13258	15.0
151.11160	2.8
155.08496	2.3
157.10141	3.9
159.08078	1.6
159.11714	18.2
161.09668	2.8
161.13254	7.2
163.11220	6.6
163.14845	3.4
165.12764	2.9
169.07803	1.4
169.10165	1.9
171.11668	3.8
173.04497	3.2
173.13245	8.8
175.14803	3.8
177.12767	3.5
179.14357	2.0
183.11678	2.0
184.07324	2.7
185.13278	2.7
187.14853	4.2
195.13754	6.6
197.13303	2.3
199.14708	1.5
201.12874	1.6
201.16348	1.4
229.14346	3.3
239.18021	2.6
243.20886	2.4
251.16325	1.7
255.15839	8.4
257.18951	7.8
259.20432	1.8
261.22098	9.9
267.15900	2.9
269.17477	32.1
275.20078	19.5
293.21094	2.1
309.20819	1.7
317.24963	1.9
323.13367	1.5
331.22562	2.2
335.25806	81.6
336.25900	2.1
349.23782	18.4
367.24738	5.8
383.91776	1.5
413.21576	2.8
428.58859	1.6
515.37323	19.9
529.38916	71.7
530.39209	3.4
569.41547	6.1
609.44983	19.4
627.46136	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	824.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
57.44675	0.8
59.46898	0.8
65.03934	3.5
67.05502	0.9
69.03429	1.9
71.61800	1.1
75.04472	2.0
78.04718	1.3
79.05479	3.0
81.03421	2.6
85.02894	4.5
91.05485	6.6
93.03397	6.4
93.07049	3.5
95.04959	2.3
97.02895	1.0
97.06526	1.5
103.05460	10.1
105.03388	1.7
105.04568	1.3
105.07030	5.1
106.04176	12.0
107.04967	6.5
109.02822	0.9
109.06529	0.9
115.05463	3.8
117.07005	2.5
118.04160	2.2
119.04946	2.6
119.08648	1.5
121.06511	15.8
123.04434	3.1
124.05228	1.8
124.11237	0.8
125.06000	7.0
127.03934	1.3
129.06975	0.9
130.04089	1.0
131.04947	12.0
131.08604	1.1
132.05736	0.9
133.06506	4.9
134.03654	2.0
135.04388	1.6
135.76717	0.8
137.06026	4.0
145.06488	3.4
147.04408	1.9
147.08043	1.5
148.05196	5.9
149.05988	24.9
151.03932	2.0
151.07549	1.8
153.01816	1.2
153.05466	3.2
153.09093	6.0
159.04459	0.9
159.08078	1.4
161.05930	5.1
163.04018	1.0
163.07535	12.0
165.05434	1.3
166.02618	0.8
167.05602	1.6
167.07045	32.1
171.06523	1.5
173.05972	4.5
175.07529	2.3
175.20004	0.8
176.04709	1.0
177.05455	16.9
178.06175	1.1
179.07066	1.6
181.04964	49.5
181.08519	12.9
187.07491	2.8
191.07028	49.7
192.07686	1.6
193.05026	1.4
193.08559	1.9
195.06540	3.5
201.05403	1.8
203.07022	2.7
205.08632	3.6
207.06508	1.2
207.10170	2.0
209.08089	100.0
210.08490	1.4
217.08640	1.2
219.08286	1.3
219.10194	3.1
233.08144	3.5
235.07603	1.5
235.09578	4.1
240.48045	0.8
245.08096	1.8
252.07838	1.0
263.09140	17.0
267.10416	0.9
295.09564	1.2
297.11349	0.9
307.09583	1.3
325.10712	1.4
337.10818	1.0
357.13351	3.7
359.15024	1.1
360.15100	0.9
367.11749	1.6
370.58878	0.9
385.12686	6.0
399.14410	3.7
417.15414	20.6
418.16058	1.0
597.70709	0.9
739.44916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03619	0.6
65.03938	3.5
69.03436	0.7
70.02829	1.5
70.03221	1.3
71.04971	0.6
75.04472	1.7
78.04706	2.2
79.05492	2.9
81.03408	2.4
82.04193	0.8
85.02901	4.4
91.05470	6.8
93.03412	6.5
93.07063	3.1
93.07549	0.5
95.04969	3.2
97.02905	1.4
97.06514	2.2
98.21393	1.1
103.05473	11.6
105.03372	1.7
105.04511	0.6
105.07050	4.9
106.04176	11.8
107.04949	6.3
109.06458	0.7
110.03669	1.2
111.04473	0.9
115.05452	2.8
117.06999	2.1
118.04148	2.0
118.06509	0.7
118.22096	0.6
119.04963	1.2
120.05650	0.6
121.06515	14.5
123.04468	3.7
124.05190	1.0
124.11256	0.8
125.05997	6.3
128.06145	0.9
129.06999	0.9
130.04117	1.0
131.04938	13.9
133.06468	3.7
134.03635	1.9
135.04401	1.0
135.08015	1.3
137.05984	4.4
139.07558	1.3
142.02557	0.9
144.05672	0.8
145.02908	0.9
145.06534	3.4
146.03618	0.9
147.04413	1.8
147.08102	1.7
148.05177	7.8
149.05989	27.3
151.03912	2.2
151.07549	2.0
152.04640	0.8
153.05470	3.5
153.09113	7.5
158.03679	0.8
158.22272	0.6
159.08038	1.8
160.05154	1.2
161.06015	5.7
163.03944	1.5
163.07541	11.0
165.05428	1.2
167.07045	35.3
171.06552	1.4
173.06035	4.2
175.07558	2.7
176.04640	1.8
177.04010	1.2
177.05489	15.8
179.07008	0.7
181.04970	46.5
181.08566	14.7
187.07553	2.2
189.05385	0.9
190.06248	1.3
191.07034	51.7
192.07535	1.4
193.08669	3.1
195.06483	2.1
201.05391	1.1
203.07021	2.0
205.08612	3.4
207.06435	1.4
207.10147	1.8
209.08093	100.0
210.08441	1.7
217.08635	1.8
219.10141	3.0
221.07985	0.8
222.06818	0.6
224.08330	0.6
225.07701	0.7
233.08099	3.5
235.07556	1.2
235.09674	3.6
245.08034	1.1
247.07771	0.6
253.08545	0.8
263.06580	1.0
263.09155	13.8
267.10165	1.6
293.08188	0.8
297.11105	1.4
307.09561	0.9
325.10831	2.0
327.12213	0.7
337.10483	0.8
339.12146	0.8
357.13232	3.5
359.14944	0.8
367.11844	1.7
371.15030	0.9
381.13000	0.7
385.12720	5.9
387.14499	1.3
399.14304	2.2
417.15445	18.4
418.15665	1.1
577.19666	0.6
610.09839	0.8
616.25037	0.8
648.25714	0.7
732.27203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	7.7
57.07070	1.8
59.04984	1.0
60.08161	1.1
61.02901	0.8
65.03928	3.0
67.05508	49.1
69.03431	7.6
69.06718	1.5
69.07072	27.9
69.58908	6.2
71.04977	2.4
75.89443	0.7
76.65028	0.8
77.03934	1.1
79.05495	40.8
81.03418	4.5
81.07059	43.5
82.89190	0.9
83.04974	4.5
83.08620	10.7
85.02921	1.3
85.06573	0.8
86.09702	5.5
91.05481	25.2
93.07046	33.4
95.04974	10.0
95.08612	29.9
95.09216	1.7
97.02896	9.3
97.06548	4.0
97.10175	12.9
98.21481	1.6
99.08076	1.0
105.03385	0.8
105.04552	1.5
105.06371	1.3
105.07027	16.4
107.04945	6.0
107.08590	20.1
109.02830	1.0
109.06521	4.1
109.10153	14.0
111.08078	2.5
115.05437	1.1
117.07028	10.6
119.04917	1.8
119.08581	13.5
121.06492	3.0
121.10148	15.4
123.08035	3.2
123.11693	3.9
124.99982	3.4
125.09628	8.6
129.07068	4.1
130.07747	1.6
131.08568	9.7
133.06493	3.0
133.10150	7.2
134.07242	0.9
135.08076	1.8
135.11674	6.1
137.09590	2.9
143.08533	2.8
145.06442	1.1
145.10097	8.3
147.08032	6.3
147.11702	6.6
149.09660	1.4
149.13275	4.0
153.09125	0.9
157.10141	3.0
159.11687	6.6
161.09592	3.3
161.13260	2.6
163.11148	1.3
165.09140	1.6
171.11597	1.7
173.11861	0.9
173.13216	3.9
175.11186	2.8
177.12689	1.3
184.07355	14.1
187.14810	1.4
189.11281	4.6
189.12692	1.1
195.13596	0.9
199.11201	1.1
205.12352	2.0
211.13168	1.3
223.13275	19.7
227.12778	3.5
243.21088	2.2
245.19017	2.2
249.14803	2.3
255.17630	1.2
261.22104	6.0
273.18488	12.7
291.19543	100.0
292.19965	3.0
317.24777	2.7
335.25800	75.0
336.26077	1.8
347.22098	1.5
347.25784	3.0
365.23236	48.8
366.23514	1.8
391.89554	0.9
517.53333	0.9
545.38190	3.6
607.43115	1.9
625.44629	62.1
626.44843	2.9
681.50031	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	824.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03619	0.6
65.03938	3.5
69.03436	0.7
70.02829	1.5
70.03221	1.3
71.04971	0.6
75.04472	1.7
78.04706	2.2
79.05492	2.9
81.03408	2.4
82.04193	0.8
85.02901	4.4
91.05470	6.8
93.03412	6.5
93.07063	3.1
93.07549	0.5
95.04969	3.2
97.02905	1.4
97.06514	2.2
98.21393	1.1
103.05473	11.6
105.03372	1.7
105.04511	0.6
105.07050	4.9
106.04176	11.8
107.04949	6.3
109.06458	0.7
110.03669	1.2
111.04473	0.9
115.05452	2.8
117.06999	2.1
118.04148	2.0
118.06509	0.7
118.22096	0.6
119.04963	1.2
120.05650	0.6
121.06515	14.5
123.04468	3.7
124.05190	1.0
124.11256	0.8
125.05997	6.3
128.06145	0.9
129.06999	0.9
130.04117	1.0
131.04938	13.9
133.06468	3.7
134.03635	1.9
135.04401	1.0
135.08015	1.3
137.05984	4.4
139.07558	1.3
142.02557	0.9
144.05672	0.8
145.02908	0.9
145.06534	3.4
146.03618	0.9
147.04413	1.8
147.08102	1.7
148.05177	7.8
149.05989	27.3
151.03912	2.2
151.07549	2.0
152.04640	0.8
153.05470	3.5
153.09113	7.5
158.03679	0.8
158.22272	0.6
159.08038	1.8
160.05154	1.2
161.06015	5.7
163.03944	1.5
163.07541	11.0
165.05428	1.2
167.07045	35.3
171.06552	1.4
173.06035	4.2
175.07558	2.7
176.04640	1.8
177.04010	1.2
177.05489	15.8
179.07008	0.7
181.04970	46.5
181.08566	14.7
187.07553	2.2
189.05385	0.9
190.06248	1.3
191.07034	51.7
192.07535	1.4
193.08669	3.1
195.06483	2.1
201.05391	1.1
203.07021	2.0
205.08612	3.4
207.06435	1.4
207.10147	1.8
209.08093	100.0
210.08441	1.7
217.08635	1.8
219.10141	3.0
221.07985	0.8
222.06818	0.6
224.08330	0.6
225.07701	0.7
233.08099	3.5
235.07556	1.2
235.09674	3.6
245.08034	1.1
247.07771	0.6
253.08545	0.8
263.06580	1.0
263.09155	13.8
267.10165	1.6
293.08188	0.8
297.11105	1.4
307.09561	0.9
325.10831	2.0
327.12213	0.7
337.10483	0.8
339.12146	0.8
357.13232	3.5
359.14944	0.8
367.11844	1.7
371.15030	0.9
381.13000	0.7
385.12720	5.9
387.14499	1.3
399.14304	2.2
417.15445	18.4
418.15665	1.1
577.19666	0.6
610.09839	0.8
616.25037	0.8
648.25714	0.7
732.27203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	9.8
57.07072	3.0
60.08127	1.2
65.03937	5.4
67.05506	100.0
69.03418	6.2
69.07070	26.6
71.04987	4.9
79.05495	67.7
81.03415	9.0
81.07058	93.7
83.04980	20.4
83.08617	13.3
85.02888	1.8
85.06538	7.3
86.09700	5.5
91.05480	73.6
93.07047	76.3
95.04974	14.4
95.08609	53.5
95.09228	2.2
97.02914	3.1
97.06538	7.9
97.10159	5.3
98.21519	2.6
99.04426	2.7
103.05466	3.8
105.07032	61.4
107.04951	9.8
107.07853	1.8
107.08599	50.9
109.06517	11.5
109.10159	59.1
109.10906	3.2
110.31596	1.3
111.04446	1.8
111.08077	4.3
111.87794	1.1
113.06025	2.3
115.05437	1.8
117.07014	14.3
119.04887	1.4
119.08578	29.0
121.06547	6.9
121.10150	22.2
123.04420	1.2
123.08023	6.9
123.11710	10.8
125.00002	4.1
125.09624	3.2
127.07542	2.3
128.06248	2.2
129.07014	5.5
130.07735	1.8
131.08572	21.7
133.06479	6.6
133.10132	67.6
135.08049	10.8
135.11696	15.0
137.09654	2.8
142.07852	1.8
143.08548	7.4
145.10104	12.8
147.08023	5.3
147.11676	10.7
149.09631	8.6
149.13254	5.3
151.11183	29.9
154.62257	1.6
155.08575	1.8
157.10149	6.1
159.08061	3.8
159.11710	8.4
161.09625	8.0
161.13304	6.8
163.11169	4.9
163.14796	1.7
165.52837	1.2
169.10106	2.6
169.12241	5.4
171.11707	4.9
173.09698	1.7
173.13266	5.9
175.11182	4.7
176.96545	1.2
177.09123	4.3
177.12735	2.5
179.10684	2.6
181.10304	1.5
183.11668	1.9
184.07361	15.3
184.23021	1.4
185.13290	2.0
187.14824	2.2
189.12741	2.4
195.11809	2.6
195.13687	1.3
203.14314	2.1
207.13663	1.8
215.12766	4.3
217.19463	1.4
223.13289	2.4
226.72708	1.4
227.18077	1.5
237.16466	1.4
241.19638	1.8
243.21092	3.6
245.18997	7.8
251.12846	2.7
253.14340	78.5
255.17384	2.6
259.20557	1.5
261.22125	12.4
263.20078	4.9
271.15598	1.5
273.18497	37.3
275.20035	2.6
291.19550	41.7
309.20816	2.8
317.24789	2.9
329.21216	1.6
335.25812	71.5
347.22208	10.0
365.23248	55.0
365.27884	3.0
366.23734	1.5
384.95566	1.6
439.31946	1.5
480.94705	1.3
513.35638	4.6
529.35223	3.2
531.36798	14.5
576.59149	1.3
602.62299	1.5
607.43671	7.9
625.44647	71.0
626.45258	3.2
681.50317	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	4.1
57.07058	3.4
65.03927	4.3
67.05161	3.0
67.05508	44.6
69.03423	2.8
69.07075	31.8
71.04964	2.3
71.34727	3.4
78.20816	1.8
79.05058	2.2
79.05496	43.2
81.03419	3.9
81.07058	58.6
83.04973	6.9
83.08620	7.9
85.06511	2.6
91.05488	76.7
93.07047	48.6
95.01331	7.9
95.04970	7.2
95.08611	37.4
97.06545	17.0
103.05437	4.3
105.07037	100.0
107.04985	14.3
107.08604	24.1
109.06526	5.4
109.10161	9.4
111.08086	2.4
112.64408	1.9
117.07029	17.5
119.08586	56.1
121.06524	2.0
121.10122	15.5
123.04443	2.1
123.08071	4.5
123.11694	3.1
125.09643	3.3
129.07031	8.4
131.08583	29.3
133.10135	47.9
135.08055	4.9
135.11674	10.2
139.07559	2.1
141.06927	2.7
143.08548	7.7
145.06442	2.6
145.10123	20.7
147.07964	2.6
147.11708	22.0
149.09636	4.2
149.13232	7.9
149.38803	1.9
155.08551	2.5
157.10138	7.1
159.11684	16.7
161.09612	2.3
161.13254	16.2
163.11218	4.6
165.09174	2.2
171.11673	6.9
173.13228	6.7
175.14815	8.0
177.73853	1.7
179.14287	8.6
183.11763	3.4
184.07431	3.4
185.13297	6.2
187.11182	3.5
197.13275	2.7
199.14877	2.2
239.18010	2.8
241.19531	16.2
243.17276	2.1
257.18985	4.8
259.20612	23.9
275.20081	52.4
277.21811	2.0
293.21072	2.4
315.23288	9.4
331.22888	2.0
333.24274	55.2
349.23776	43.9
349.28006	2.4
513.35272	2.6
607.43530	83.1
608.43677	2.9
625.44696	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	822.5359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	8.2
60.24548	1.4
61.02930	2.0
63.83136	1.4
65.03960	2.5
67.05507	83.7
69.03420	4.9
69.07071	17.8
69.59561	11.5
71.04991	7.6
79.05496	54.3
81.03418	7.0
81.07058	81.0
83.04974	12.9
83.08630	7.4
85.02930	1.7
85.06538	5.2
86.09734	1.8
91.05482	63.1
92.21134	1.3
93.07051	62.3
95.04967	12.2
95.08611	40.7
95.09220	2.5
97.02892	1.7
97.06534	5.6
97.10173	1.8
97.80686	1.5
99.08083	1.7
105.04528	1.5
105.07032	53.7
107.04955	7.7
107.08601	45.2
109.06503	7.5
109.10159	52.7
111.08076	3.5
113.05984	2.4
115.05482	2.4
117.07003	11.9
119.08580	20.5
120.61334	2.0
121.06522	6.2
121.10130	19.0
123.08067	4.9
123.11707	13.1
128.06171	2.1
129.06998	3.4
131.08580	17.5
133.06499	3.8
133.10136	62.0
135.08064	7.3
135.11699	13.3
137.09618	2.7
143.08556	5.6
145.10143	11.6
147.08089	5.0
147.11687	9.3
149.09615	5.4
149.13252	4.7
151.11191	29.4
157.10179	4.0
157.37444	1.6
159.08194	2.1
159.11621	7.3
161.09605	5.9
161.13242	5.9
163.11185	2.1
163.14783	2.5
169.10139	1.7
169.12219	5.0
171.11749	4.2
173.13280	4.6
175.11122	3.2
175.14720	2.0
179.10686	1.8
184.07339	4.7
199.11147	2.1
215.12726	3.1
243.21152	2.1
245.19051	3.4
251.12724	2.4
253.14366	100.0
254.14667	2.2
257.18927	1.7
259.20590	2.5
261.22110	12.9
262.41760	1.5
263.20044	4.2
273.18488	21.7
274.27734	1.8
275.20093	1.9
291.19507	24.3
309.20633	1.9
333.24274	4.7
335.25803	70.0
347.22238	7.6
365.23251	32.8
439.32007	2.2
457.32898	2.0
498.94965	1.6
513.35559	5.5
531.36646	15.1
587.47058	1.8
607.43335	6.1
611.46106	2.2
625.44702	52.8
626.44226	2.6
722.06677	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	822.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03185	0.4
57.03442	5.6
57.07067	1.0
61.02930	4.9
62.31610	0.4
65.03953	1.1
67.05507	30.5
69.03420	1.2
69.06714	0.7
69.07072	10.5
70.65784	0.5
70.66129	1.5
71.05000	3.3
71.08620	0.6
73.02913	1.2
79.05497	19.2
81.03427	2.5
81.07059	40.1
83.04993	2.7
83.08626	8.8
85.02899	5.5
85.06537	1.8
91.03960	3.1
91.05487	11.0
91.06066	0.9
93.07047	30.0
95.04976	2.7
95.08027	0.8
95.08611	9.2
96.04501	0.5
97.02893	2.5
97.06538	6.0
97.10154	0.8
99.04468	0.7
99.08073	1.1
105.04585	0.5
105.07024	3.9
107.05016	0.7
107.08599	16.9
109.02872	0.5
109.06512	2.0
109.10165	2.2
111.08088	3.7
111.11782	0.4
113.09644	0.8
117.07020	5.3
119.08582	1.3
120.08212	0.4
121.06483	1.2
121.10143	8.4
123.08099	0.6
123.11711	1.5
125.09639	0.6
127.03885	1.0
129.06985	0.5
131.08580	5.7
133.10138	6.3
134.85320	0.5
135.08092	0.7
135.11699	5.2
139.11169	0.8
145.04968	1.0
145.10202	0.5
147.11667	1.2
149.09689	1.0
149.13261	15.3
151.11177	1.2
159.11710	5.5
163.06001	0.7
165.12781	0.5
177.12714	3.2
184.07321	0.6
195.13815	7.2
213.14912	1.0
251.16495	1.0
267.15826	0.5
269.17490	32.6
349.24026	0.5
445.29572	1.3
463.30560	100.0
464.30786	3.5
607.34912	2.8
720.37329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	4.5
57.07069	0.7
61.02929	5.7
65.03938	1.2
67.05506	31.3
69.03426	0.6
69.07071	8.9
69.10130	0.4
71.04989	2.9
73.02919	2.9
79.05046	0.9
79.05495	18.3
80.05827	0.5
81.03417	4.3
81.07059	44.1
83.04984	3.1
83.08625	9.9
85.02910	7.6
85.06555	2.4
91.03960	4.1
91.05483	13.0
93.07044	27.1
95.04978	2.8
95.08025	1.0
95.08604	11.7
97.02888	4.9
97.06523	5.0
97.10151	0.9
99.04422	0.7
99.08096	1.2
105.04533	0.9
105.07053	5.1
107.08593	16.2
109.06519	1.5
109.10168	2.0
111.08090	3.5
117.07036	5.9
119.08579	1.8
121.06521	1.5
121.10147	7.1
123.08088	0.8
123.11703	3.0
123.46722	0.5
125.09778	0.5
127.03922	1.5
131.08577	5.2
133.10130	11.0
133.11058	1.0
135.08064	1.0
135.11703	5.3
138.16824	0.7
145.04956	1.9
147.11688	0.8
149.13260	9.8
150.13626	0.5
151.11203	0.9
153.09085	0.5
157.10133	0.6
159.11684	6.9
163.06012	1.9
177.12822	2.3
184.07333	0.8
195.13791	8.7
213.14850	0.9
251.16460	2.5
269.17480	37.2
312.99173	0.5
413.21835	1.1
445.29266	3.1
463.30566	100.0
464.30978	3.7
607.34998	3.6
658.59088	0.6
735.49170	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
88.47484	0.9
95.08584	1.1
106.21661	0.9
109.10138	2.2
119.08574	1.4
128.12930	0.8
135.04468	1.8
135.11668	1.6
153.01883	4.8
182.82365	1.2
186.44839	0.9
193.15880	2.8
211.16911	3.6
222.43529	0.9
264.03690	1.0
287.05502	100.0
288.05972	1.1
392.18927	1.0
449.10815	42.7
450.10745	1.7
626.26477	1.1
674.60675	1.1
769.88837	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	3.9
57.07059	0.8
61.02925	3.0
61.96069	0.3
65.03925	0.7
66.59209	0.2
67.05506	24.9
68.05807	0.4
69.03398	0.9
69.07069	8.0
71.04996	1.9
71.08604	0.4
71.61349	0.4
72.33246	0.3
73.02888	1.3
76.86169	0.3
79.05496	14.2
81.03417	1.7
81.07058	34.3
82.07382	0.5
83.04979	2.4
83.08141	0.5
83.08619	7.4
85.02898	2.8
85.06546	2.0
89.53862	0.4
91.03959	2.2
91.04973	0.5
91.05484	8.7
93.07046	25.2
94.07341	0.4
95.04966	2.0
95.08046	0.4
95.08605	7.5
97.02882	1.8
97.06525	4.9
97.10165	0.8
99.04440	1.0
99.08070	1.2
105.07025	2.8
107.04913	0.4
107.08596	13.9
109.06492	1.2
109.10160	1.4
111.08086	3.3
111.11751	0.3
113.06003	0.4
113.09653	0.3
117.07018	4.4
117.97626	0.3
119.08535	1.3
121.06485	0.8
121.09294	0.5
121.10144	8.0
123.08035	0.5
123.11710	1.7
125.09624	0.3
127.03899	0.9
127.07535	0.5
129.06987	0.6
131.08559	4.7
133.10115	4.4
135.08055	0.8
135.11690	4.2
139.11143	0.8
145.04916	0.8
147.11655	1.4
149.09618	0.6
149.13261	16.4
151.11195	0.5
157.10127	0.5
159.11688	6.9
163.05975	0.6
165.12724	0.4
167.14333	0.6
177.12738	3.0
195.11984	0.4
195.13797	6.3
211.13367	0.4
213.14873	0.7
251.16492	0.7
269.17477	44.7
270.17786	1.3
299.57285	0.3
316.11938	0.3
440.69888	0.3
445.29544	0.8
463.30557	100.0
464.31000	4.4
473.60010	0.3
607.34650	1.1
645.41876	0.3
754.24280	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.69028	13.5
66.97883	15.4
67.05493	40.2
69.26631	63.0
69.27060	100.0
69.75502	16.6
79.05511	27.3
81.07070	36.3
93.07033	17.9
97.83223	16.2
107.08580	23.9
184.07306	36.5
261.22281	24.6
335.25717	94.3
337.26877	24.0
598.17206	19.7
705.99786	17.4
820.59583	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	819.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
61.49440	1.3
69.03423	1.8
70.06585	5.8
71.05780	3.3
72.08150	1.3
76.94452	1.3
79.05483	2.9
81.03420	2.1
81.07040	1.2
82.06567	3.5
84.08132	3.5
85.02905	2.1
86.09682	2.0
89.03920	1.7
91.05473	4.3
93.07052	3.5
94.06577	10.1
95.04935	1.2
95.07391	3.0
96.08144	10.0
97.02809	1.3
105.07013	2.7
106.06548	4.3
108.04484	4.9
108.07415	1.8
108.08128	28.2
110.06045	1.4
110.09679	13.3
116.04992	3.4
119.05005	1.6
120.04449	4.6
120.08107	13.0
121.06476	1.3
122.06020	7.9
124.07590	12.8
127.03935	3.0
129.10252	1.8
131.04907	1.7
133.10092	1.4
134.06029	7.1
136.07584	21.8
137.06010	1.7
138.09149	14.0
144.04437	10.6
146.06038	5.0
147.04402	4.0
148.07541	6.1
152.07089	4.7
153.01845	2.0
160.03899	3.7
160.07591	1.7
162.05533	10.5
163.06276	2.5
164.07043	4.7
166.08643	13.5
167.07098	2.0
170.08269	1.7
172.03938	52.7
172.05408	3.0
172.07556	3.2
174.05534	1.6
176.07083	9.1
182.04475	1.6
182.09737	2.0
183.06728	1.5
183.09126	2.0
184.09984	2.0
185.10745	1.8
186.09158	3.0
187.08664	1.7
190.05023	21.5
197.10744	4.2
199.08685	2.7
199.12318	5.2
201.10281	1.8
204.06577	83.4
210.09151	4.1
211.08588	12.8
211.12483	1.8
212.09467	5.0
213.10228	2.3
223.08580	2.4
223.12172	2.1
225.10217	13.6
226.10925	2.8
227.11798	47.4
229.81534	1.4
236.09427	2.5
237.10228	6.9
238.10976	3.5
239.08232	2.5
239.11888	6.9
241.09697	2.9
241.13416	4.9
243.11247	1.9
245.12874	2.5
249.10168	3.2
250.11124	2.5
251.08263	3.0
251.11842	9.0
252.08798	2.3
253.09700	13.6
254.10408	2.0
255.11340	4.4
257.12888	2.7
263.08044	1.3
263.11777	3.5
264.08972	3.5
265.09598	6.7
265.13589	1.6
266.10553	5.4
267.11349	8.6
269.12875	22.1
270.10956	1.5
270.13589	4.3
271.10696	7.3
273.12311	5.9
277.03387	2.6
277.09671	3.6
278.03714	1.7
278.10358	3.3
279.11246	9.5
280.11926	1.5
281.09427	2.5
281.12637	1.6
283.10764	11.5
284.11560	11.0
285.12357	11.2
286.13177	5.7
287.05563	6.9
287.13910	83.9
288.14520	4.2
293.12646	2.1
295.10721	3.9
296.11615	2.9
297.12399	15.4
298.13251	3.5
299.13962	9.2
301.12372	2.3
302.12811	2.2
307.10437	2.4
309.12332	3.6
312.14896	1.4
313.11899	1.4
315.13629	2.4
316.10965	1.5
316.14496	7.0
318.16150	1.9
323.10416	6.4
325.11829	29.2
326.12653	5.6
327.13474	8.9
328.10934	2.2
328.14520	2.7
329.15103	2.9
330.12488	3.2
330.15976	6.0
331.16852	8.1
332.17560	1.6
339.13434	2.6
340.14392	2.9
341.12589	2.1
342.12418	3.8
342.16107	2.9
343.13159	8.5
344.13791	3.9
344.17615	5.1
346.15640	2.8
354.12341	1.9
355.13809	3.2
356.13940	4.1
356.17743	1.9
357.14438	19.7
358.15451	13.7
359.16022	3.7
360.17136	1.5
367.12686	1.6
369.10944	1.6
370.11694	3.5
370.15485	4.5
371.12320	1.9
371.16479	2.1
372.13312	4.8
372.17197	5.4
373.14276	2.5
374.14661	2.1
376.16620	3.2
378.18182	3.5
383.12469	2.0
384.13235	14.0
384.17212	1.6
385.13989	4.1
386.14932	30.0
386.19388	3.0
387.15775	6.6
388.16528	7.5
390.18048	9.3
394.15683	1.9
396.17261	1.7
398.14847	10.1
399.15738	16.7
400.16592	72.0
401.16977	4.5
402.18021	5.4
403.48132	1.4
404.15955	10.4
412.16473	2.2
413.17493	2.0
414.18295	9.3
415.18472	2.0
416.15976	9.1
417.16714	2.9
418.17725	10.3
428.16022	3.7
430.17737	2.0
431.18436	2.4
440.15860	4.8
444.15225	2.4
445.16022	9.5
446.17160	13.9
447.18088	11.1
448.18600	5.4
458.17090	15.3
459.18082	18.1
460.18723	6.8
463.17114	74.9
464.17578	1.4
476.17700	1.8
477.18671	1.5
490.19760	5.0
491.20813	7.7
501.15012	9.5
511.23206	1.5
520.19025	2.2
521.21442	2.6
523.23444	1.4
524.24500	1.7
525.24731	2.3
553.24414	2.9
565.24109	3.3
583.25580	10.5
593.23505	4.3
594.24677	2.0
611.25031	100.0
612.25800	36.9
613.26471	11.1
622.20612	7.0
624.22302	1.9
634.20416	15.7
634.30341	2.3
643.27643	13.9
644.28571	14.3
654.22882	2.0
666.22693	14.3
667.22742	1.8
769.26935	5.0
787.28198	74.2
788.27802	4.8
819.30475	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	819.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.7
67.05486	1.9
70.25712	4.5
77.54829	1.1
79.05500	2.2
81.03409	1.5
82.06587	1.2
93.05788	1.5
93.07028	3.4
94.06570	8.9
95.01015	1.3
95.07321	3.4
96.08135	8.4
98.21846	1.2
103.05497	1.4
105.07016	4.0
106.06562	2.8
107.07305	1.2
108.04460	2.9
108.08121	27.8
110.09679	11.9
116.04977	3.8
120.04446	5.6
120.08109	11.2
122.06009	9.5
124.07607	14.6
127.03906	3.6
133.10074	1.5
134.06012	8.9
135.06798	1.7
136.07581	18.3
137.05891	1.5
138.09146	15.4
144.04472	7.9
146.06036	6.2
147.06818	1.8
148.07541	5.7
152.07088	5.5
158.06020	1.3
158.09583	1.5
160.03912	3.1
161.09680	1.8
162.05522	8.8
163.03908	2.0
163.06213	1.7
164.07062	5.3
166.08664	13.7
172.03929	36.0
172.07480	2.3
176.07063	9.4
182.09654	2.0
183.09181	1.8
184.09882	1.8
185.10793	2.8
186.09242	1.9
190.04993	21.3
195.09232	1.6
196.09834	1.8
197.06976	1.3
197.10757	2.1
199.08722	2.4
199.12315	4.6
204.06564	52.2
209.10722	1.5
210.09279	2.8
210.11446	2.2
211.08691	10.8
211.12041	1.7
212.09419	2.9
213.10205	4.3
215.11748	1.7
223.08580	3.0
223.12260	2.0
225.10262	12.6
226.10997	3.8
226.60297	1.4
227.11795	40.7
228.12187	2.0
229.13379	1.7
236.09361	1.9
237.10216	10.7
238.11008	3.2
239.11716	9.4
241.09737	3.6
241.13359	5.4
243.11273	2.4
245.12915	1.5
249.10190	3.1
251.08244	2.2
251.11726	6.9
252.08905	3.0
252.12712	1.5
253.09669	12.7
253.13290	1.8
254.10388	1.4
255.11226	4.5
257.12735	2.3
259.02377	1.3
259.14539	2.2
263.08099	2.7
264.08932	2.0
265.09698	8.7
266.10535	2.7
267.11258	6.2
269.12854	27.4
270.10486	1.3
270.13593	3.4
271.06271	1.2
271.10730	11.5
273.12372	4.6
277.09512	2.3
278.10608	2.3
279.11243	9.5
280.12082	2.0
281.09436	1.7
281.12784	2.5
283.10660	8.6
284.11536	11.2
285.12305	11.7
286.13065	5.7
287.05399	1.9
287.13904	80.4
288.14560	3.8
295.10751	3.3
296.11417	3.5
297.12375	18.2
298.13126	2.4
299.05307	1.6
299.13977	10.8
301.12180	3.2
307.10709	4.1
309.12387	3.0
311.14362	2.0
313.12112	1.5
314.13065	1.7
315.13776	2.5
316.11081	2.0
316.14468	6.1
317.15271	2.4
323.10178	7.3
325.11844	30.1
326.12445	3.8
326.16406	1.4
327.13281	9.4
328.10883	2.3
328.14508	3.8
329.11972	2.2
329.15329	3.4
330.12390	3.6
330.16052	4.6
331.16803	5.3
332.13837	1.7
337.11844	1.7
339.13242	2.6
340.14532	2.6
342.12332	4.0
342.15997	3.0
343.13281	8.5
344.13837	5.6
344.17615	5.1
345.14218	1.4
346.15454	3.7
354.16122	2.5
355.13538	1.5
356.13947	4.6
357.14520	13.8
358.15454	13.1
359.15918	2.7
360.17197	2.7
367.13297	1.5
368.13647	2.6
370.11731	5.6
370.15677	4.1
371.16653	2.6
372.13290	4.0
372.17468	6.1
374.14874	3.0
376.16483	2.1
383.12766	2.4
384.13193	14.1
385.14328	3.7
386.14902	25.7
386.89423	1.7
387.15717	8.3
388.16492	6.9
390.18323	8.8
396.17200	1.7
398.14899	10.4
399.15778	14.0
400.16602	73.7
401.16895	5.4
402.18008	4.5
404.15903	10.7
412.16647	1.9
413.16534	1.4
414.18326	6.9
416.15866	8.3
417.16705	2.2
418.17618	10.9
419.18411	2.1
422.17538	1.4
428.16077	4.9
430.17566	3.8
431.18158	3.8
432.19009	1.8
440.16083	8.5
441.16513	2.0
444.15817	1.6
445.16034	10.9
446.17053	12.4
447.18103	12.7
448.18579	6.1
449.19788	1.7
458.17178	20.6
459.17923	14.8
460.18811	7.2
463.17126	62.0
464.17484	1.8
476.17816	1.6
479.20392	2.2
490.19275	3.6
491.20270	6.3
501.15027	11.6
507.23813	2.0
521.22235	1.9
535.23792	1.4
553.24664	2.4
565.24341	2.2
583.25775	8.5
593.24200	6.5
594.24298	1.7
611.25012	100.0
612.25684	45.0
613.26471	11.1
622.20038	5.4
624.21655	1.7
634.20422	16.3
643.27698	10.0
644.28308	14.8
654.23053	3.3
666.23016	13.6
759.28113	2.1
769.26544	3.9
787.28168	70.9
788.27771	4.9
819.31073	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	819.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.57628	0.8
65.03935	1.0
67.05477	1.2
69.41300	8.1
71.50665	0.9
79.05500	1.2
80.05016	1.2
81.03410	1.2
82.06578	0.9
88.87782	0.8
91.05450	2.9
93.05772	1.8
93.07035	4.0
94.06564	7.8
95.07335	3.2
96.08131	10.6
103.05477	1.5
106.06547	2.7
108.04495	3.2
108.08131	22.7
110.09690	11.1
116.04980	4.0
120.04469	6.1
120.08106	10.4
122.06032	7.6
124.01492	1.1
124.07595	12.7
132.04440	1.4
134.06012	5.6
135.06787	1.2
136.07584	16.7
138.09128	16.2
144.04474	5.7
144.08102	1.1
146.06003	6.1
147.06802	1.1
148.07585	4.3
150.05463	1.0
152.07167	4.9
160.03952	2.7
161.07129	1.2
162.05521	7.2
163.06281	2.0
164.07048	4.6
166.08650	13.6
167.07077	1.8
172.03940	23.8
172.07571	1.8
174.05510	1.7
176.07086	6.9
182.09787	1.2
183.09135	1.4
184.09891	1.8
185.10683	1.2
186.09053	2.0
190.05002	23.1
190.06720	1.5
197.10762	2.7
198.09056	0.9
199.08597	2.7
199.12270	5.2
201.10205	1.0
204.06557	34.0
205.16205	0.9
209.10680	1.6
210.09151	2.7
211.08641	7.0
211.12256	2.1
212.09299	4.3
213.10245	3.8
214.08607	1.1
221.10825	1.3
223.08667	1.6
223.12292	2.0
224.09167	1.2
225.10228	12.6
226.11072	3.5
227.11797	35.1
229.13477	1.5
235.12241	1.1
236.09464	1.6
237.10146	5.7
238.07222	1.2
238.10930	3.0
239.08167	1.0
239.11815	6.0
240.12450	1.7
241.09685	1.9
241.13353	3.7
243.11269	1.1
245.12964	1.2
249.10219	3.7
250.10951	2.2
251.08186	3.3
251.11880	6.8
252.08904	2.3
253.09714	12.2
253.12373	1.1
253.13345	0.9
255.11253	4.1
257.12869	1.9
263.08182	1.4
264.08926	2.5
265.09735	6.4
265.12592	1.5
266.10382	3.2
267.11261	7.2
269.09915	1.8
269.12848	24.0
270.13544	4.1
271.10733	9.9
271.14606	1.2
273.12335	5.2
277.09714	2.9
278.10547	1.8
279.11279	8.2
281.09116	2.3
281.12839	2.4
283.10745	7.5
284.11533	11.1
285.12405	12.2
286.13092	5.1
287.13910	75.2
288.14392	2.7
291.11160	1.5
293.09415	1.8
293.12579	1.6
295.10635	4.7
296.11612	2.3
297.12305	14.5
298.13297	1.1
299.05408	3.4
299.14026	8.6
301.12463	1.4
302.13077	2.0
305.09100	1.0
307.10727	3.3
309.12363	1.5
311.10379	1.6
312.14935	1.4
313.12296	2.9
314.13013	2.1
315.13715	1.9
316.11139	1.7
316.14465	5.1
317.15234	2.5
318.16025	1.5
321.12125	2.1
323.10251	8.9
324.10986	1.5
325.11829	42.8
326.12521	3.7
326.16342	1.1
327.13388	8.8
328.14417	2.4
329.11728	1.6
329.15186	2.1
330.12207	3.3
330.16013	4.2
331.13147	1.6
331.16678	5.0
334.22632	1.1
337.11734	2.2
338.12839	1.5
339.13443	1.8
340.14499	2.3
341.11874	1.5
342.12363	3.2
342.16006	1.7
343.12994	8.4
344.13812	4.7
344.17709	4.1
346.15506	3.0
346.19409	1.1
352.14676	1.0
354.12317	1.1
354.16211	1.4
355.13763	1.2
356.13846	4.9
357.14542	11.9
358.11887	1.3
358.15500	11.0
359.15982	2.5
365.11414	1.8
367.13303	1.8
368.13797	2.3
369.10986	1.2
369.15262	1.4
370.11572	4.7
370.15491	4.1
371.12463	1.5
371.16611	1.6
372.13232	4.0
372.17383	4.4
374.14905	1.9
376.16983	1.1
378.18124	2.1
380.13754	1.9
382.15619	1.5
383.12317	1.6
384.13385	12.5
385.14026	4.4
386.14951	23.1
386.19534	1.8
387.15793	7.7
388.16708	5.4
389.16666	1.0
390.18213	6.5
391.18893	1.1
397.17883	1.0
398.14935	11.6
399.15833	14.1
400.16568	60.8
401.16928	3.0
402.18152	3.5
404.16055	11.2
405.16824	1.9
410.14883	1.2
412.16513	3.0
413.17178	1.8
414.18185	8.3
416.15826	6.9
417.17017	2.3
418.17630	7.8
419.18311	2.0
420.19440	1.1
422.16248	1.2
427.15268	1.8
428.16034	6.4
429.16751	1.4
430.17566	3.8
431.18402	2.2
440.16068	7.9
441.16293	2.1
442.17691	1.3
444.15433	1.4
445.16068	11.4
446.17050	11.9
447.18134	8.5
448.18768	5.5
449.18875	1.2
458.17084	18.4
459.17865	13.7
460.18369	6.3
461.18994	1.2
463.17102	56.5
464.17404	1.5
472.18869	1.0
473.15289	1.4
475.17007	1.0
476.18033	1.5
490.19751	4.7
491.20544	5.5
501.15152	10.2
511.23499	1.1
520.21161	1.1
521.22156	1.3
523.23389	2.3
524.23975	1.4
525.24701	2.0
551.22827	1.5
552.23840	1.2
553.24182	2.3
563.22327	1.2
565.24316	2.4
567.25800	1.9
569.23743	2.5
583.25629	9.7
593.23523	3.8
594.24750	1.9
611.25018	100.0
612.25739	33.9
613.26398	8.8
622.20673	6.4
624.21716	2.9
634.20355	13.1
643.27667	11.1
644.28485	10.9
654.23035	2.3
664.21661	1.2
666.23010	8.7
723.24701	1.2
757.07532	1.2
759.27423	1.4
769.27472	4.3
787.28235	64.3
788.28345	4.6
819.30634	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	813.512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	3.4
58.20496	2.0
61.02923	8.4
67.05513	11.3
67.43052	1.9
69.03432	5.4
69.07048	3.0
71.05006	1.9
71.33917	4.7
72.83047	1.8
73.02911	4.6
79.05499	7.0
81.07063	10.6
85.02915	8.1
86.09734	5.5
91.03977	3.4
91.05495	3.8
93.07055	9.5
95.08624	5.8
96.64233	2.1
97.02914	6.1
101.02371	2.8
105.07050	5.8
107.08620	5.1
109.10192	4.1
111.72996	1.9
119.08568	3.4
119.18503	1.9
124.99998	3.4
131.08649	2.4
133.10136	3.7
159.11710	2.3
184.07336	10.4
268.47922	2.1
288.47806	2.0
453.22812	3.2
481.51706	2.3
519.29572	8.3
535.29102	8.7
576.22516	2.2
638.43750	2.4
813.51263	100.0
814.51483	5.9
832.68646	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	815.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	1.2
69.03429	25.6
69.46229	5.6
71.01342	1.2
71.04973	2.2
73.02914	1.4
79.01839	1.5
79.05487	0.8
81.03419	39.8
83.01328	0.8
85.02908	8.3
87.00833	0.8
89.03922	1.4
91.05447	1.7
95.04951	0.8
97.02898	6.0
99.04443	5.9
101.02391	1.1
103.05436	1.0
105.03416	0.9
107.04972	2.0
109.02880	17.3
111.00806	1.9
117.03375	1.9
119.04965	1.3
125.02355	0.9
127.03912	9.3
129.00970	1.1
129.01848	10.8
133.02855	2.1
135.04366	1.0
136.01559	1.3
139.00217	0.9
139.03882	2.3
139.08493	0.7
145.02849	2.3
145.04979	1.6
146.03590	0.8
147.04407	4.5
151.03853	0.8
153.01808	3.0
157.02858	2.1
161.02327	2.6
162.03046	0.8
163.03903	13.2
165.01886	1.9
167.03363	2.7
173.02371	3.3
175.03883	2.9
177.01831	1.1
179.03362	1.9
181.01308	14.4
182.02060	0.7
185.02348	2.2
187.03868	3.8
189.01831	5.4
190.02576	1.3
191.03401	16.3
192.00540	9.6
192.03995	0.7
193.01352	5.1
193.04871	0.7
195.02882	1.6
196.03609	0.9
201.01822	3.7
202.02687	0.7
203.03392	4.5
206.02109	0.9
207.02911	5.4
209.00800	2.3
213.01910	3.1
215.03397	3.5
217.01343	11.3
218.02107	2.0
219.02896	32.1
220.03282	0.8
221.04480	4.7
223.02354	8.5
229.01334	5.9
231.02890	16.9
233.04424	0.8
234.01617	1.1
235.02390	20.9
241.01372	3.8
244.98477	1.1
245.00844	12.0
247.02379	10.4
249.03961	36.5
257.00784	9.5
258.01495	0.8
259.00299	0.8
259.02390	30.3
263.01898	12.0
273.00305	6.4
275.01877	11.6
276.02661	8.6
277.03439	92.8
278.03683	1.8
285.00400	6.5
291.01379	20.8
302.00388	0.8
303.01358	100.0
304.01651	1.6
305.02878	1.9
309.02454	8.3
319.00842	8.8
321.02460	2.0
323.03964	6.9
337.01913	12.9
351.03537	4.0
363.03510	1.0
447.05667	5.2
465.06812	1.1
495.07654	1.6
513.08734	2.9
677.47247	0.8
755.50836	0.7
815.09467	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	813.5121
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	1.9
61.02929	6.8
67.05514	5.2
69.03437	3.5
69.07069	1.7
71.01328	0.7
71.05021	0.6
71.53109	0.9
73.02925	4.1
79.05505	6.1
81.03434	1.2
81.07068	6.7
85.02908	5.7
86.09718	2.0
91.03963	3.9
91.05477	4.0
93.07047	5.7
95.04971	0.6
95.08600	3.7
97.02898	5.0
99.04467	0.6
101.02394	2.0
105.07057	2.3
105.11901	0.5
107.08598	2.4
109.02874	1.1
109.10168	2.7
117.07013	0.7
119.08636	1.7
121.10178	2.3
125.00047	1.4
127.03960	1.9
131.08606	1.4
133.10181	1.5
135.11726	1.4
143.08571	0.7
145.10107	0.5
147.11714	1.2
171.20364	0.5
184.07310	5.9
184.08673	0.5
185.04256	1.5
185.07802	0.6
185.13274	0.6
201.48366	0.5
203.05370	0.8
243.08461	2.6
301.08856	0.8
310.88498	0.5
335.25812	0.7
404.37708	0.6
447.68948	0.6
519.29327	10.6
520.29413	0.6
530.72467	0.5
534.63354	0.6
535.28741	4.2
555.22681	0.5
591.30908	0.7
813.51239	100.0
814.51398	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	813.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	2.0
57.07069	3.6
61.02910	3.8
67.05501	12.1
69.03429	10.0
69.07068	13.5
69.54752	6.9
69.55165	7.3
71.83206	2.1
73.02884	1.8
79.05485	13.6
81.03410	4.1
81.07059	32.9
83.04974	4.2
83.08624	5.1
85.02908	41.0
91.03919	2.0
91.05474	18.6
93.07051	47.0
95.04980	3.5
95.08041	4.0
95.08612	57.9
97.02894	10.9
97.06505	2.9
97.10146	4.8
98.21529	2.2
99.04436	3.8
105.07038	36.6
107.08598	69.6
109.02876	4.5
109.06498	3.0
109.10157	35.1
111.08073	14.5
117.07047	5.2
119.07778	3.4
119.08581	57.6
121.10139	38.3
123.08048	4.0
123.11703	13.6
124.75998	1.8
125.08717	3.6
125.09626	49.9
126.91924	1.8
127.03896	7.3
129.07039	3.3
130.07785	2.1
131.08575	25.1
133.10124	50.7
135.11687	17.4
137.09608	2.9
137.13261	2.6
143.08551	9.0
145.04938	13.0
145.10123	46.8
147.11687	23.6
149.13268	15.3
151.11157	4.7
153.09090	3.7
157.10133	11.0
159.11688	41.7
161.13274	15.3
163.06033	7.7
163.14836	14.5
169.10077	4.0
171.11707	8.3
173.13248	31.5
175.14821	26.8
177.09012	3.2
177.16402	18.0
183.11751	3.8
185.13240	6.7
187.14825	56.3
189.16380	42.5
191.14351	8.6
191.17921	12.3
193.15831	3.6
197.13263	4.7
199.14822	15.1
201.16383	67.9
203.14238	2.9
203.17970	18.5
205.15822	18.8
207.17522	2.9
211.14801	2.4
213.16393	32.7
215.17952	39.2
217.02722	2.1
217.15866	6.9
217.19398	3.4
219.17415	22.9
221.15417	2.0
227.17830	4.1
229.19565	4.5
231.17482	3.1
233.18971	5.1
235.16936	14.9
239.17978	2.8
241.19496	7.2
243.17316	3.0
243.21124	3.6
247.16959	19.3
249.18527	4.0
253.19603	2.6
255.21056	4.6
261.18436	16.6
267.21082	6.1
269.22604	4.7
281.22720	4.5
283.24130	3.0
287.19897	2.3
341.24731	10.6
343.26456	3.1
389.32071	20.2
391.33490	2.7
395.29187	2.8
407.33102	89.3
408.33228	4.4
409.34952	4.8
423.32635	13.0
425.34241	8.1
431.54800	2.4
435.32648	48.9
436.33209	2.3
453.33636	100.0
454.33508	2.5
471.34689	2.7
482.92786	2.4
551.87524	2.4
615.38959	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	811.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.7
61.02930	6.0
67.05508	6.5
69.03437	4.6
69.07066	1.9
71.01372	0.6
71.04018	0.6
71.04996	0.6
73.02927	5.0
77.03896	0.4
79.05492	5.2
81.03419	2.3
81.07056	7.0
83.05001	0.7
83.08645	1.0
85.02905	6.2
86.09719	0.5
86.37816	0.3
87.04493	0.6
91.03968	3.4
91.05485	4.4
93.07052	6.2
95.04996	0.8
95.08608	5.1
97.02901	5.1
97.06530	0.7
97.10184	0.6
99.04478	1.1
101.02392	1.6
103.03993	0.6
105.07038	2.7
107.04971	0.7
107.08589	3.0
109.02905	1.2
109.10186	1.6
117.07063	0.9
119.08550	2.1
121.10163	1.5
123.11748	0.4
127.03955	1.7
131.08556	1.9
133.10178	1.5
135.11717	1.3
137.09692	0.4
145.10152	1.0
147.11682	0.6
149.13292	0.8
159.11736	0.5
173.13385	0.3
184.07399	1.5
185.04288	0.8
203.05185	0.4
221.32091	0.4
243.08423	2.1
275.20261	0.4
277.79129	0.4
278.85159	0.4
315.19336	5.9
315.22446	0.5
331.65582	0.4
335.25732	0.5
359.77649	0.4
371.21982	0.8
453.00021	0.4
519.29346	9.4
520.29309	0.4
533.27197	4.7
811.49664	100.0
812.49933	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	811.4449
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96589	0.7
57.03440	2.4
59.04996	1.1
61.02936	4.9
61.60389	0.6
67.05508	6.0
69.03442	4.4
69.07064	2.2
69.94568	1.2
69.94958	1.0
71.05009	1.6
73.02912	3.5
79.05492	4.8
81.03423	5.2
81.07058	5.2
83.05000	1.6
83.08622	1.3
85.02905	5.3
86.09730	1.4
91.03963	2.7
91.05482	5.4
93.07052	3.8
95.04971	2.8
95.08625	2.5
97.02905	5.6
97.06541	1.1
97.10235	0.7
98.20788	0.7
99.04459	0.9
101.02413	1.4
105.07047	4.5
107.05023	0.8
107.08607	2.9
109.02923	0.6
109.06556	1.2
109.10213	0.9
109.12035	0.5
117.07044	0.8
119.08601	3.1
121.06493	0.5
121.10134	2.6
125.00050	0.8
127.03941	1.1
129.07002	1.4
129.86832	0.6
131.08594	2.2
133.06555	0.9
133.10165	2.0
135.11693	1.3
136.94283	0.5
139.10231	0.6
145.10156	0.7
147.11729	2.3
149.09686	2.2
149.13326	0.5
157.10181	1.8
175.11194	0.9
177.12949	0.6
181.12331	0.5
184.07372	5.4
185.04289	0.9
193.12302	1.8
225.14906	0.8
243.08408	4.3
267.16086	1.2
276.07977	0.6
283.15192	4.1
333.20529	2.3
339.17944	1.0
389.23184	1.0
439.19708	0.9
453.20590	1.1
469.20596	0.8
501.15891	1.2
501.23099	16.8
501.30292	1.0
551.28223	9.3
656.96411	0.5
721.38104	0.9
811.44525	100.0
812.44861	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	809.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
61.02929	5.3
67.05493	5.6
69.03435	4.4
69.07080	2.1
71.05000	2.9
71.61644	1.2
72.24571	1.0
73.02916	4.4
76.68552	1.0
79.05499	7.0
81.03426	5.8
81.07053	7.3
83.08634	1.7
85.02917	6.0
91.03957	2.3
91.05479	9.0
93.07048	4.3
95.04976	2.6
95.08613	3.6
97.02903	4.7
97.06520	2.0
101.02392	2.8
105.07040	4.9
107.04948	1.2
107.08585	1.6
109.02884	1.5
109.06545	2.1
109.10179	2.5
111.08116	1.1
117.46404	0.9
119.08585	2.6
121.10168	2.5
127.03947	1.5
129.07036	1.2
130.80846	1.0
131.08566	2.1
133.10181	4.5
145.10155	1.6
147.11755	2.3
149.09653	3.5
151.11188	1.7
157.10126	1.7
184.07471	1.8
193.12276	2.7
243.08444	4.0
248.68924	1.2
279.79547	1.0
283.15219	3.2
331.18823	1.5
339.18082	2.0
451.19479	1.5
501.22961	16.1
531.25537	2.4
549.26855	3.7
573.25073	2.1
637.03534	1.3
639.30151	1.2
711.35791	2.7
791.41791	12.9
809.42761	100.0
810.43005	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	809.429
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.9
57.03424	2.3
59.05006	1.2
61.02931	5.8
61.37957	0.6
62.63605	0.6
67.05507	4.6
69.03423	4.4
69.07076	2.9
69.52980	0.5
71.04978	1.8
73.02924	3.5
79.05493	5.5
81.03416	5.5
81.07052	5.1
83.04977	1.5
83.08611	1.9
85.02914	5.5
87.04479	0.8
91.03963	2.9
91.05473	4.5
93.07033	4.2
95.04980	2.3
95.08611	2.5
97.02890	4.8
97.06531	1.3
97.10172	1.5
97.82303	0.6
99.04453	1.2
101.02398	1.2
105.07028	3.8
107.04948	0.9
107.08601	3.8
109.02893	1.1
109.10200	1.6
111.08050	1.2
115.77622	0.6
119.08577	2.2
120.52509	0.7
121.06457	0.7
121.10152	2.1
123.07962	0.6
125.09628	1.1
127.03912	1.7
129.07034	0.8
131.08598	2.1
131.10870	0.7
133.10149	1.9
147.08072	0.6
147.11702	2.1
149.09618	2.2
157.10094	0.7
158.54478	0.6
175.11258	0.6
184.07408	0.7
191.48773	0.6
193.12212	0.7
194.36580	0.5
223.06281	0.5
223.13304	1.3
231.68349	0.6
243.08447	3.9
267.15726	0.7
269.10660	1.7
283.15195	3.0
285.10178	0.7
291.19617	1.9
296.58060	0.6
316.11877	1.4
323.10831	0.8
331.18878	1.5
339.17645	1.4
365.15500	0.8
381.19211	0.8
422.18863	1.4
441.20807	0.8
451.19449	1.0
461.21289	1.5
461.71530	0.8
471.22125	1.2
501.23093	11.7
549.26605	5.8
567.41156	0.7
573.25171	0.9
647.37878	0.6
809.42889	100.0
810.43097	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	808.557
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03440	14.7
57.07075	2.3
61.02919	3.5
65.03927	3.4
67.05508	59.0
69.03416	2.6
69.07074	15.4
71.04987	3.8
71.21635	2.1
74.21002	0.9
77.03923	1.0
79.05495	51.3
81.03400	2.9
81.07059	64.6
83.04970	3.8
83.08630	8.6
85.02901	3.0
85.06541	3.0
90.16698	1.0
91.05483	38.2
93.07049	56.9
94.09016	0.9
95.04970	5.3
95.08612	52.5
97.02882	3.3
97.06524	4.9
97.10160	4.1
99.08125	1.7
101.93768	0.9
105.07040	32.0
107.08602	34.2
109.06499	4.0
109.09440	1.6
109.10155	21.1
111.08064	2.8
117.07031	12.1
119.07767	1.8
119.08588	24.8
121.06498	1.2
121.10143	28.5
123.08070	3.3
123.11731	5.6
125.09612	3.0
129.07010	6.0
130.07771	1.5
131.08569	19.0
133.10139	24.1
135.08014	1.4
135.11713	16.3
137.09621	1.2
137.13229	1.2
139.11212	1.1
143.08563	5.9
145.10121	14.8
147.11699	15.2
149.09616	1.5
149.13254	9.6
151.11205	2.0
157.10121	3.3
159.11707	13.9
161.13251	9.4
163.11250	1.5
163.14810	3.0
165.12753	1.1
169.10016	1.3
171.11691	4.7
173.13225	8.6
175.14835	4.5
177.12718	2.1
177.16359	1.7
179.14362	2.1
185.13252	4.7
187.14836	6.2
197.13220	1.0
199.14835	3.3
201.16364	2.0
203.17967	1.8
205.15858	3.3
215.17944	1.6
239.17950	1.0
241.19508	9.0
243.21262	2.2
257.18991	2.9
259.20587	18.0
261.22195	8.5
263.23706	1.0
277.21625	15.1
293.20975	1.6
317.24805	1.6
331.22556	1.5
333.24301	13.3
335.25803	100.0
336.26303	2.2
337.27356	2.6
351.21005	1.9
351.25311	26.7
433.43500	1.0
519.42120	1.7
529.38879	2.9
553.42120	1.6
571.43799	1.2
593.45337	2.2
611.46698	31.1
612.47974	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.5569
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	14.8
57.07071	5.8
65.03918	6.2
65.58830	4.2
67.05508	94.5
69.07085	28.2
79.05055	5.0
79.05496	92.3
81.07058	100.0
83.08622	14.5
91.04951	7.3
91.05480	88.8
93.07050	98.2
95.04935	6.4
95.08035	6.3
95.08611	80.0
97.06544	6.7
98.01138	4.4
105.04558	5.1
105.07034	80.2
107.08604	49.3
109.06528	5.7
109.10164	23.6
116.06227	4.5
117.07014	19.5
119.08589	57.8
121.10142	38.0
123.08053	5.4
123.11700	9.8
129.06979	12.3
131.08574	31.3
133.10121	51.1
135.11717	25.3
143.08539	13.1
145.10130	28.0
147.10713	6.0
147.11699	42.2
149.13280	14.0
155.91959	4.5
157.10104	12.7
159.11681	29.6
161.13248	30.0
163.14796	5.8
165.11787	5.1
169.10127	7.3
171.11661	13.8
173.13269	18.3
175.14839	8.3
185.13303	12.5
199.14926	6.0
213.16345	5.9
229.12692	5.4
231.20961	6.2
241.19507	23.2
257.19040	8.4
257.41580	4.5
259.20547	68.2
261.22064	10.6
262.82056	4.1
315.23053	5.0
333.24210	57.0
335.25821	78.0
561.05133	5.6
593.45776	9.4
611.46820	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	807.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	0.9
67.05489	1.7
68.05007	1.2
69.07066	5.2
69.77527	4.6
79.05492	1.2
81.94960	0.9
91.05484	1.2
94.06564	10.6
94.86059	0.9
95.04977	2.0
98.20732	2.0
105.05836	0.9
106.06560	1.3
108.08134	3.2
110.06019	1.6
112.07606	1.6
116.05023	2.1
118.06532	3.2
119.50128	0.8
120.08085	2.4
121.05254	0.9
122.05138	2.1
122.06024	35.4
124.07626	1.5
134.06012	4.4
136.07561	3.4
140.07066	35.2
144.04443	3.7
146.05994	22.5
147.04428	1.5
148.07530	8.9
152.07047	3.2
162.05496	2.2
166.08653	2.0
172.03938	18.5
172.07552	1.3
173.04735	2.8
174.05502	42.8
174.07797	1.8
176.07054	23.4
186.09138	2.3
190.05017	2.8
191.05766	1.9
192.06538	6.6
196.09949	1.1
197.10786	4.0
199.08694	2.4
199.12309	3.1
201.10210	1.5
204.06548	26.4
206.08138	7.6
209.10811	1.8
210.09216	2.9
210.11395	1.3
211.08719	5.0
211.12268	1.7
212.09462	3.7
213.10208	3.0
214.10930	1.3
215.11818	1.8
223.08466	1.3
223.12317	1.5
224.09258	1.5
225.10233	13.4
226.08621	1.3
226.11034	3.4
227.08322	2.0
227.11772	36.1
237.10202	4.4
238.11029	3.6
239.11783	6.4
241.09766	2.9
241.13414	3.7
241.63268	1.0
243.11328	2.1
249.10207	1.3
251.08087	1.2
251.11861	5.7
253.09709	11.3
253.13339	1.0
255.11246	2.9
261.12155	2.1
263.08426	1.0
263.11755	1.6
264.08942	1.1
265.09714	8.3
266.10516	3.1
267.11349	6.0
269.09875	1.4
269.12839	29.1
270.13593	1.8
271.10760	19.0
273.12350	1.3
275.11493	1.2
277.09814	1.7
278.10446	1.1
279.11279	5.8
283.10730	10.9
284.11545	8.2
285.12292	15.1
286.13116	3.7
287.13889	64.6
288.14499	4.6
297.12311	22.0
298.13040	3.4
299.13849	2.6
300.12103	1.6
302.12997	1.2
307.10773	1.5
309.12436	1.7
311.13531	1.0
313.11816	26.7
314.13043	1.9
315.13687	3.3
316.11194	1.2
316.14304	5.5
317.15237	2.2
318.15961	1.6
319.10782	1.4
321.12207	1.7
323.10321	2.9
324.11075	1.2
325.11819	4.6
328.14459	1.0
329.12122	1.3
329.15518	1.2
330.12326	13.3
330.16071	3.8
331.12881	5.2
331.16843	6.1
332.17490	2.4
337.11835	1.8
339.13367	1.5
340.14590	2.6
341.15771	1.5
342.12549	2.1
342.16284	2.2
343.12973	4.7
344.13885	7.3
344.17719	3.5
345.14474	12.2
346.14969	1.5
350.08887	1.5
354.16064	2.3
356.13998	3.1
357.14877	5.0
358.15540	8.8
359.16516	2.3
365.11041	1.2
368.13739	1.3
370.11642	2.3
370.15625	2.5
371.16519	2.8
372.13419	2.0
372.17093	7.6
373.17831	1.3
380.13736	1.2
382.15735	2.6
383.12659	1.3
384.13309	10.1
384.17386	1.7
385.14056	6.3
386.14880	9.6
387.15714	4.9
388.16498	2.5
390.18176	5.2
391.18912	1.4
392.19855	8.7
396.17093	1.9
398.14722	8.4
399.15735	9.3
400.16537	71.2
401.17328	13.1
402.13937	1.8
402.18555	1.4
403.14810	1.6
412.16415	2.1
414.18176	7.6
416.19904	7.2
417.16727	3.9
418.17627	44.0
419.18033	1.9
430.17410	1.6
431.18298	3.0
432.19208	2.4
440.15875	5.9
441.16708	4.2
442.17584	14.0
443.17722	1.8
444.15442	2.0
445.16098	5.4
458.17093	14.6
459.17920	12.2
460.18652	55.0
461.19122	3.7
463.17084	75.5
464.18100	1.6
478.19699	1.1
479.17010	1.5
489.14902	7.8
490.19815	1.8
492.21252	21.2
555.25909	1.6
581.23932	1.8
599.24982	100.0
600.25604	19.0
601.26648	12.2
613.26129	1.8
631.27679	11.8
632.28436	9.5
633.28760	1.8
634.20294	7.1
635.20715	2.9
636.21979	8.6
666.22693	2.3
757.26874	1.9
775.28156	65.7
776.28302	3.1
807.30865	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	807.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	1.7
69.07062	3.3
69.77655	6.8
79.05492	1.5
85.02840	1.3
91.05483	1.8
94.06550	7.9
95.04954	1.8
97.02881	1.2
105.07020	2.3
108.08127	3.1
118.06554	1.5
120.04456	1.5
122.06036	39.4
127.03920	4.7
134.05992	4.5
136.07568	3.7
140.07065	36.7
144.04402	3.0
146.06004	23.5
148.07574	8.6
152.07140	3.2
161.09637	1.4
162.05444	2.7
162.09108	1.4
167.07071	3.7
172.03961	14.5
172.07532	2.9
173.04660	2.4
174.05510	44.7
176.07071	27.5
176.08502	2.6
181.05002	2.1
186.09132	1.3
190.05022	5.6
191.05656	1.5
192.06560	6.3
197.10750	2.9
199.08615	1.7
199.12384	2.3
201.10214	2.3
204.06558	21.0
206.08167	8.0
209.10843	2.2
210.09366	2.4
211.08653	7.8
212.09494	3.0
213.10239	3.2
215.11720	1.8
216.10219	1.8
224.09450	1.8
225.10231	13.2
226.10980	2.8
227.11792	35.2
228.10095	1.5
235.12239	1.7
237.10213	5.1
238.07466	1.5
238.10991	5.7
239.11819	6.2
241.09805	2.3
241.13345	4.8
242.11940	1.7
243.11348	4.3
251.11797	6.5
253.09702	11.5
259.10828	1.3
261.12604	2.1
263.11789	1.4
265.09677	7.5
266.10550	2.3
267.11325	4.1
269.12848	30.1
270.10486	1.3
270.13498	2.4
271.10779	19.6
277.09695	2.2
278.10657	1.9
279.11288	5.2
280.12134	2.0
283.10788	10.6
284.11560	8.1
285.12347	16.6
286.13062	4.2
287.13882	65.6
288.14615	3.4
291.11316	1.5
293.12949	1.4
295.10687	2.5
296.11469	2.7
297.12354	21.0
298.13141	5.1
299.13992	2.1
300.12085	2.1
301.12271	1.3
305.09052	1.7
309.12357	1.8
313.11798	31.6
314.12582	1.7
316.10840	1.3
316.14392	4.0
318.15826	2.1
321.12222	1.4
323.10199	2.7
324.10904	1.7
325.11990	3.5
329.11417	1.7
329.15286	2.1
330.12347	10.5
330.16129	4.4
331.12854	5.0
331.16809	3.6
332.17542	2.3
339.13989	1.7
340.14398	1.8
342.12430	3.0
342.16177	2.9
343.13318	4.4
344.13916	7.6
344.17664	3.4
345.14523	9.3
346.15112	1.4
350.08640	1.8
353.15256	1.6
354.16455	1.8
355.13748	2.3
356.13834	2.8
357.14822	4.6
358.15573	9.0
360.17029	1.4
365.11230	2.6
369.14700	2.1
370.11548	1.6
370.15567	3.1
372.13245	3.2
372.17358	7.9
373.17896	2.5
380.14035	2.0
382.15619	3.1
384.13242	11.9
385.14038	8.1
386.14810	12.0
386.18958	2.2
387.15665	3.2
388.16458	3.4
390.18088	6.0
392.19730	10.5
398.14655	8.2
399.15671	7.9
400.16559	68.7
401.17334	15.4
412.16739	2.8
414.18182	9.0
415.19284	1.6
416.20206	8.0
417.16791	4.8
418.17657	42.9
424.16486	1.4
430.17340	3.4
431.18207	2.3
432.19003	2.6
440.15973	8.9
441.16620	3.1
442.17615	12.1
444.15283	1.8
445.16159	6.7
458.17114	17.9
459.17871	14.0
460.18716	49.1
461.19406	2.6
463.17102	62.3
464.17670	2.6
479.16470	3.1
489.14905	7.8
492.21252	18.3
565.80634	1.5
581.23419	3.6
589.21271	1.5
599.25031	100.0
600.25665	20.2
601.26196	12.0
631.27563	12.7
632.28192	8.9
634.20129	7.0
635.20734	4.0
636.21796	6.6
757.26343	2.9
775.28198	70.7
776.28369	2.4
807.30194	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	806.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	4.1
58.19826	2.2
60.29057	2.5
61.02959	2.9
67.05506	31.4
69.07062	8.5
71.30063	4.4
79.05508	22.7
81.07058	29.0
83.08622	4.9
85.02913	3.2
87.49500	2.3
88.55613	2.5
91.05509	13.5
93.07054	23.1
95.08608	27.1
104.77879	3.1
105.07041	11.1
107.08591	12.1
109.10149	8.5
117.06994	3.1
119.08582	7.2
121.10140	11.5
123.11707	4.1
128.63000	2.6
131.08556	8.8
133.10159	8.2
135.11662	6.5
137.13228	2.8
145.10144	4.7
147.11702	6.1
148.51660	2.5
159.11647	4.7
161.13326	4.5
163.68848	2.4
173.13251	2.8
179.14455	2.3
243.21138	4.0
259.20566	4.0
261.22153	14.3
275.01901	2.6
304.26352	2.7
331.26645	2.9
335.25815	100.0
336.26181	3.0
337.27493	5.2
387.28860	4.3
396.98190	2.8
516.72516	2.6
535.83850	2.5
595.46930	15.8
613.47040	3.1
665.50903	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	806.4897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	1.9
57.03438	22.2
65.03931	4.8
66.27724	1.7
67.05157	3.6
67.05509	60.4
69.03429	9.5
69.06706	2.6
69.07069	32.6
70.27086	3.3
70.27472	3.9
71.04990	12.8
73.02889	1.9
76.65746	1.8
79.05496	59.6
81.03420	89.1
81.07059	68.8
83.04990	13.7
83.08628	29.7
85.02905	5.5
85.06563	4.1
86.09722	2.5
88.35557	1.8
91.05482	61.0
93.07050	55.2
95.04972	36.5
95.08609	28.7
97.02909	5.5
97.06539	15.6
97.10172	14.3
105.04527	2.0
105.07031	44.6
107.04972	14.2
107.08602	33.8
109.02854	2.0
109.06525	8.2
109.10173	13.4
111.04485	2.9
111.08124	11.9
113.88860	1.7
115.05470	3.0
117.07018	15.9
119.04966	2.2
119.08592	35.7
121.06520	9.4
121.10140	22.3
123.04442	2.4
123.08064	6.1
123.10261	1.7
123.11725	3.7
124.99982	1.7
125.09613	9.5
127.03908	3.5
128.06198	2.8
129.07002	15.2
131.04962	2.3
131.08572	26.4
133.06512	4.6
133.10143	25.8
135.08109	3.9
135.11700	10.3
137.09590	4.3
141.06972	5.3
142.07748	2.5
143.08560	6.7
145.06450	5.2
145.10127	13.4
147.08052	5.9
147.11685	13.5
149.09645	12.3
149.13300	8.9
151.11188	4.9
153.01865	2.3
153.09148	2.2
155.08524	3.0
157.10126	15.7
159.08009	2.7
159.11720	11.7
161.09694	4.2
161.13272	3.7
163.11166	8.9
165.12779	2.3
169.10114	4.2
171.08038	2.2
171.11668	5.1
173.11858	2.0
173.13312	4.9
175.11197	8.2
177.12747	4.3
183.11714	4.2
184.07387	7.6
185.13271	3.9
187.14828	2.1
189.11266	4.4
193.12225	24.2
195.11749	2.1
195.13817	4.4
199.15001	2.1
203.14362	2.5
205.12299	2.6
209.11687	2.1
211.13161	2.6
217.15863	2.6
223.13295	2.7
227.12790	8.3
229.14346	2.3
239.18011	2.2
245.30894	1.9
247.20604	2.3
255.15881	12.1
257.19061	2.8
267.15933	87.1
269.17477	27.9
273.18472	3.3
275.20102	17.8
291.19604	4.3
293.21188	3.0
324.06250	2.0
331.22678	2.9
349.23819	19.8
351.23184	2.4
365.23334	2.4
367.24969	4.6
369.23929	4.2
387.25220	3.8
421.25894	4.9
431.29266	2.2
435.27689	3.1
437.29755	2.6
443.28021	13.3
447.27438	29.5
449.30621	2.8
459.38663	1.8
461.29013	100.0
462.29407	3.6
467.31644	2.4
493.31628	14.9
501.32266	4.3
523.33966	3.4
541.35333	40.2
559.36249	17.2
591.38538	2.3
761.41351	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	804.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	11.7
60.45444	3.4
65.03934	6.9
67.05507	62.2
67.82117	3.4
69.03439	9.8
69.07095	16.9
69.51225	20.0
71.04990	7.1
79.05498	38.8
81.03423	79.2
81.07062	63.7
83.04982	15.2
83.08638	19.0
85.06546	7.4
87.64163	4.0
91.05486	66.2
93.07054	41.0
95.04974	37.3
95.08611	23.7
97.02876	6.3
97.06544	10.7
97.10165	8.0
99.04425	4.6
105.07042	54.5
107.04954	15.2
107.08604	41.1
109.06501	17.5
109.10166	48.4
111.04416	3.9
111.08066	9.6
116.84741	4.5
117.07030	11.7
119.08567	30.1
121.06519	9.5
121.10146	13.9
123.08117	6.9
123.11695	6.8
125.09663	6.1
129.07024	10.7
131.08543	19.8
133.06503	5.8
133.10135	81.5
135.08112	5.5
135.11702	6.4
137.09642	8.0
141.06918	5.1
142.95122	3.7
143.08533	4.6
145.10143	9.2
147.08034	9.1
147.11685	10.9
149.09642	7.6
151.11232	28.5
157.10147	10.5
161.09633	7.9
163.11194	4.8
169.12247	7.8
173.13353	5.1
175.11192	12.8
184.07341	7.5
193.10664	4.4
193.12231	26.1
205.12315	4.4
251.12614	3.7
253.14377	100.0
263.20093	3.8
267.15936	71.9
273.18527	19.2
277.03470	6.2
287.19992	4.7
291.19537	22.4
295.90976	3.6
347.22256	8.4
365.23203	34.7
445.26001	21.0
463.27029	21.8
483.30884	4.4
539.33441	14.0
557.34778	91.3
558.34344	3.7
575.35492	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	805.3251
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	1.1
67.05505	1.6
68.37442	1.5
71.05002	1.3
71.61794	2.1
81.07051	1.7
91.05505	2.3
93.07043	1.1
105.07059	2.9
107.08537	1.6
120.86916	1.1
127.03959	1.6
131.04987	1.3
133.10202	1.5
137.06047	1.7
149.02116	1.8
159.37425	1.2
161.09682	1.4
163.11180	1.3
167.03212	1.5
167.07066	3.6
177.01611	1.6
181.05016	1.4
189.12991	1.2
195.06905	1.1
195.10019	2.5
253.88168	1.2
284.11356	1.4
287.05618	3.2
295.22928	1.2
311.14569	2.2
314.75827	1.2
329.15820	8.9
447.20203	2.6
462.22278	1.7
535.25177	11.8
621.70972	1.6
679.29303	9.7
805.32520	100.0
806.33014	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	801.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03432	5.4
71.52779	0.4
76.46248	0.2
77.03934	0.2
81.03422	8.6
85.02916	0.3
91.05486	0.5
97.02892	1.1
99.04466	0.3
101.03928	0.3
103.05466	1.0
105.03386	0.2
107.04938	0.3
109.02882	2.1
119.04922	0.7
123.04470	0.3
127.03929	2.6
129.03377	0.5
131.04921	0.8
136.16417	0.2
147.04396	1.5
157.02846	1.6
159.04420	0.3
161.02339	0.5
163.03928	1.5
173.02319	0.5
175.03908	2.9
179.03455	0.5
185.02295	2.1
187.03908	4.8
189.01842	1.4
191.03374	1.6
201.01855	1.2
203.03397	3.9
207.02882	1.8
213.01857	4.2
213.91774	0.2
215.03372	3.8
217.01260	1.8
219.02890	2.2
221.00739	0.3
229.01328	0.7
230.02179	0.4
231.02888	19.2
232.03426	0.5
235.02367	3.0
241.01303	3.5
245.00838	1.6
247.02370	2.9
257.00754	1.1
259.02386	29.5
260.02890	1.0
263.01819	1.2
273.00290	1.8
275.01889	2.6
276.02570	0.8
277.03439	100.0
278.03757	1.5
285.00262	0.7
289.03348	0.3
291.01346	0.6
300.99921	0.6
302.00592	0.3
303.01352	18.8
304.01614	0.8
319.00757	2.2
321.02438	2.4
328.99216	0.3
337.01917	9.8
385.05606	0.3
401.05133	0.5
445.04068	1.2
447.05280	0.4
463.05231	3.9
481.06104	0.5
510.23233	0.3
678.52661	0.3
757.76587	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	9.4
61.02934	2.2
63.40324	1.9
67.05507	42.5
69.03397	2.5
69.07079	11.9
69.59354	13.0
71.05009	3.9
73.02930	2.7
79.05493	33.6
81.03422	56.1
81.07061	42.8
83.04971	3.7
83.08631	14.6
85.02891	2.3
85.06537	2.9
85.22742	1.9
86.09713	2.1
89.00993	2.2
91.05489	30.7
93.07049	42.5
95.04974	20.8
95.08604	31.4
97.06490	2.3
97.10145	4.7
105.07042	26.3
107.04957	6.1
107.08609	17.7
109.06510	2.9
109.10160	13.9
111.08081	6.9
117.07003	7.3
118.28049	2.2
119.08578	17.3
121.10150	18.8
123.11701	6.2
125.09647	4.1
129.06979	5.6
131.08553	17.7
133.10117	9.4
135.11699	10.5
145.10112	8.3
147.11658	9.5
149.09605	5.7
149.13278	5.9
157.10146	8.7
159.11655	6.9
161.13226	4.4
171.11742	2.5
173.09702	2.3
173.13255	5.8
175.11217	6.9
175.14809	2.8
184.07329	2.9
187.14822	2.6
190.08629	4.7
193.12245	17.4
193.22282	2.4
227.12840	4.0
243.21158	3.9
258.51587	2.0
261.22165	23.0
267.15924	100.0
268.16165	3.7
277.30267	2.6
288.06485	4.4
301.25244	4.1
329.81424	2.2
335.25812	81.4
435.32529	2.9
453.33746	6.4
471.34689	2.7
476.41663	2.3
479.29199	2.1
527.37317	58.7
532.25714	2.3
545.38416	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	797.5172
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.2
61.02926	6.5
65.03926	0.5
67.05505	5.8
69.03436	4.4
69.07067	1.3
69.66808	0.9
69.67224	1.0
71.01357	0.7
71.04997	0.9
73.02919	5.5
79.05497	5.2
81.03419	1.8
81.07063	6.5
83.08636	0.8
85.02911	6.2
85.03421	0.5
85.06564	0.4
87.04475	0.5
91.03957	4.5
91.05481	1.9
93.07053	4.5
95.04946	0.7
95.08614	4.4
97.02897	6.0
97.10160	0.5
99.04459	1.1
101.02398	2.0
105.07053	1.5
107.08569	2.4
109.02908	1.0
109.10172	1.7
115.03935	0.5
117.07033	0.5
119.08591	1.1
121.10158	2.5
123.11695	0.6
127.03902	1.8
131.08603	1.2
133.10152	0.8
135.11717	1.5
135.68530	0.4
145.05046	0.6
145.10117	0.6
147.11696	0.5
159.11771	0.3
173.13379	0.6
174.57784	0.3
184.07402	0.8
185.04314	0.5
203.05446	0.5
243.08380	1.5
254.11098	0.3
335.25778	0.7
423.82452	0.4
428.33716	0.3
497.31033	0.5
519.29272	14.7
568.77014	0.3
786.85291	0.4
797.51758	100.0
798.52161	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	798.5633
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
56.17582	0.3
58.06597	0.5
59.07386	0.3
60.08168	7.0
67.05497	0.8
69.07057	0.6
71.07018	0.3
71.07378	3.7
71.61589	0.4
79.05495	0.3
81.07053	0.8
86.09705	32.3
87.10051	0.6
93.07056	0.5
95.08620	0.8
95.98325	0.2
98.98468	3.9
104.10746	2.0
105.07037	0.4
107.08575	0.4
109.10155	0.3
125.00006	23.4
131.08554	0.3
143.01109	0.4
184.07343	100.0
185.07663	1.3
212.71794	0.3
332.75784	0.3
376.26041	0.2
693.01782	0.3
780.55377	2.8
798.52075	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	2.4
58.95423	0.9
61.02927	6.0
67.05500	5.8
69.03433	2.9
69.07055	1.8
70.90847	2.0
73.02922	4.3
79.05501	3.0
81.07064	6.4
82.28295	0.8
83.08613	2.1
85.02914	6.7
89.30843	0.7
91.03956	5.1
91.05484	2.2
93.07049	3.6
93.69043	0.8
95.08621	5.2
97.02911	5.1
99.04451	1.0
101.02389	2.4
105.07043	1.0
107.08586	2.0
109.02910	1.3
109.10168	2.2
119.08553	2.1
121.10134	1.0
127.03909	1.6
133.10187	1.0
243.08420	1.6
395.01251	0.9
411.44595	0.8
519.29279	6.3
521.30908	5.1
549.90259	0.9
726.90686	0.9
799.53253	100.0
800.53027	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	797.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01864	0.7
68.99754	1.4
69.03432	26.5
69.48939	5.4
71.01307	2.3
71.04957	2.4
79.05486	1.0
81.03420	58.5
83.01311	1.3
85.02917	5.2
89.03895	1.2
91.05444	0.9
95.04973	0.8
97.02848	3.2
98.21490	0.8
99.04451	3.7
101.02343	0.7
103.05412	1.9
105.03341	2.0
107.04968	0.8
109.02885	19.5
115.05460	0.6
115.46486	0.7
117.03352	1.7
126.73746	0.7
127.03905	9.6
131.04930	1.4
133.02797	2.9
135.04384	1.4
137.02266	0.8
145.02789	2.7
145.04861	0.7
147.04417	2.3
147.45006	0.7
149.02321	0.7
151.03941	1.2
153.01729	0.8
160.80617	0.8
161.02345	7.4
162.03061	2.4
163.03923	9.4
165.01797	2.0
173.02333	4.6
175.03859	2.6
177.01891	1.0
177.05594	0.8
179.03426	3.7
181.01262	1.1
185.02348	2.5
185.41190	0.8
187.03955	3.6
189.01819	12.8
190.02521	2.5
191.03392	10.7
192.04147	0.7
193.01237	1.2
201.01831	10.7
202.02554	1.3
203.03395	5.6
205.01419	0.6
206.02069	0.9
207.02873	8.2
213.01758	3.1
213.03687	0.8
215.03333	3.1
217.01338	25.7
218.02083	6.5
219.02881	12.0
221.00769	2.7
221.04454	1.7
229.01328	7.9
230.01990	1.1
231.02875	14.4
233.04460	1.7
234.01649	1.3
235.02383	21.5
236.02760	0.9
241.01294	2.7
243.02879	0.8
245.00826	19.6
246.01591	2.2
247.02379	13.6
249.03934	4.7
253.03314	1.1
255.02647	0.7
257.00827	9.8
259.02393	18.3
260.02728	0.7
261.03906	3.2
262.00989	1.8
263.01883	8.5
273.00330	19.2
273.03711	1.2
274.01035	3.3
274.99081	1.2
275.01886	18.4
276.02667	13.4
277.03445	53.9
278.03653	1.2
285.00388	6.6
285.03558	1.2
287.01855	2.9
289.03467	2.5
291.01352	4.1
291.04785	1.5
300.99783	8.3
302.00543	1.8
303.01361	100.0
304.01740	2.5
305.02878	2.9
313.03458	1.2
319.00769	9.3
321.02386	1.3
333.02307	5.3
351.03491	47.8
352.03815	1.5
354.06448	0.9
421.03958	2.2
445.04160	2.3
447.05469	1.3
459.05313	1.1
463.05222	3.5
477.06653	9.3
495.07831	5.6
531.20135	0.8
668.33832	0.8
797.08252	29.5
798.08667	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	2.4
57.07065	0.5
61.02930	6.9
67.05505	9.4
69.03432	3.1
69.07072	1.1
71.04970	0.8
73.02927	4.3
78.98027	0.5
79.05505	3.2
81.03425	1.9
81.07057	3.9
81.62696	0.4
83.08646	0.7
85.02905	6.9
87.04470	1.3
91.03969	4.4
91.05484	2.2
93.07062	2.9
95.04961	0.8
95.08612	3.5
97.02892	5.0
99.04438	1.4
101.02399	2.3
103.03902	0.7
105.07047	2.2
107.08593	2.0
109.02914	1.0
109.10159	6.0
115.03960	0.6
119.08599	1.8
119.21597	0.6
121.10201	1.3
127.03928	2.2
131.08580	0.9
133.10144	0.8
135.11714	1.2
146.52628	0.5
147.11687	0.6
168.39249	0.4
173.11705	1.0
184.07410	0.9
185.04315	0.9
195.09923	1.4
229.14352	1.3
243.08521	1.9
263.09341	0.6
335.25983	1.1
392.56451	0.5
399.03989	0.6
413.17844	7.7
519.29266	9.2
520.29529	0.8
691.40277	100.0
692.40546	5.2
749.44360	0.8
777.44104	1.4
795.45099	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	795.4283
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.6
63.77473	0.6
67.05495	1.1
68.96965	0.5
71.05947	1.3
79.05494	0.6
86.09720	1.1
87.04497	0.9
89.06035	1.9
105.07031	8.0
106.07375	1.6
115.65993	0.6
121.10209	0.7
122.77280	0.6
133.07716	0.6
184.07408	2.0
195.66716	0.7
253.20015	0.7
267.09125	1.2
291.13467	0.6
517.20190	0.8
691.40259	8.0
706.64709	0.8
747.19586	0.7
795.42926	100.0
796.43488	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	795.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	2.6
61.02931	5.2
65.11985	0.6
67.05504	4.2
69.03444	3.9
69.07081	1.2
69.33535	4.3
69.33936	1.6
71.01357	0.8
71.05006	1.8
73.02917	4.9
79.05491	5.5
81.03407	4.7
81.07058	5.0
83.08626	1.1
85.02908	4.9
85.06574	0.9
86.09743	1.0
87.04501	0.8
91.03957	3.1
91.05487	5.9
93.07043	5.4
95.05003	2.2
95.08612	2.4
97.02889	4.5
97.06581	1.3
99.04460	0.8
99.08105	0.9
101.02387	1.4
105.07030	3.9
107.08612	2.6
109.02921	1.0
109.06568	0.8
109.10206	1.4
111.08054	0.8
117.07070	0.7
119.08583	3.6
121.10164	2.8
122.24208	0.6
123.08063	0.6
125.09712	0.8
127.03928	1.3
129.06956	1.1
131.08580	2.1
133.10103	3.0
135.11745	0.8
140.25769	0.6
147.11752	2.5
149.09647	1.2
149.13359	0.7
157.10158	1.0
170.89793	0.8
175.11237	0.8
184.07378	1.2
184.30830	0.6
185.04251	1.3
193.12274	1.2
243.08379	4.5
267.15796	0.7
283.15207	3.9
301.09000	2.4
333.24329	0.6
339.17975	1.5
385.17670	0.7
465.21710	0.8
485.23413	0.9
501.23145	10.8
535.28943	8.6
573.25159	2.0
601.29034	0.6
655.56232	0.6
705.38361	1.0
745.75458	0.8
795.45093	100.0
796.45441	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	795.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	1.6
57.03446	2.5
61.02925	9.3
67.05503	5.3
69.03422	4.8
69.07076	1.9
71.62102	1.9
73.02932	4.7
79.05488	5.9
81.03420	5.0
81.07056	5.6
83.04949	1.7
83.08644	1.4
85.02903	10.1
86.09696	1.8
91.03963	5.0
91.05502	6.2
93.07058	6.4
95.04977	2.2
95.08596	1.6
97.02916	7.1
97.06496	1.4
97.10239	1.6
99.04452	1.7
101.02396	3.1
105.07037	3.6
107.08595	2.5
109.02847	1.6
109.10168	2.1
119.08579	3.2
121.10141	2.4
122.26875	1.7
127.03915	2.9
131.08485	1.7
133.10130	2.9
135.11746	1.5
137.73083	1.3
145.10114	1.6
147.11671	2.0
151.19063	1.2
159.11710	1.4
175.11240	1.3
184.07407	4.7
185.04289	3.9
193.12308	1.4
197.72694	1.5
200.20242	1.5
223.13132	1.8
226.12662	1.2
243.08357	6.6
251.12619	2.1
265.41907	1.5
277.14261	2.8
301.08939	8.7
315.10608	2.9
349.16367	2.0
369.15295	1.6
373.10931	3.2
383.16782	2.2
385.18539	5.5
395.17139	1.7
413.17731	1.4
429.17487	2.1
439.19409	6.1
443.19217	3.4
469.20413	19.2
481.20728	3.3
485.19803	2.4
509.06857	1.4
528.21741	2.3
534.94995	1.6
541.22845	5.2
583.29730	1.7
611.30322	2.8
623.34332	1.6
625.31763	1.5
667.32922	19.2
709.33966	24.6
749.40869	5.1
777.39978	7.2
795.41327	100.0
796.41876	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	794.5777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	16.0
57.07080	7.1
61.02919	4.0
65.03933	4.8
65.33728	1.1
67.05507	100.0
68.05835	1.3
69.03384	1.1
69.06710	2.0
69.07072	33.3
71.04980	3.0
71.08646	2.6
71.17217	1.9
73.02905	1.2
79.05496	47.6
81.07059	97.2
83.04970	2.8
83.08622	16.1
85.02903	3.4
85.06531	1.9
85.63744	1.3
87.04472	4.3
91.04951	2.3
91.05488	29.7
93.06463	2.8
93.07051	53.1
95.04977	3.4
95.08610	77.4
95.78384	1.1
96.08948	1.9
97.02912	2.2
97.06517	4.2
97.10175	8.3
99.08096	1.9
105.04556	1.8
105.07031	21.5
107.08601	29.2
109.06478	1.4
109.10158	31.2
111.08079	4.5
111.11698	1.6
113.09618	1.5
117.07016	7.0
119.08592	15.9
121.10149	26.8
123.08083	1.8
123.11706	13.6
125.09663	2.3
129.06987	1.5
131.08585	13.1
133.10144	16.2
135.11687	17.1
137.09633	1.8
137.13268	5.2
145.10118	9.4
147.11691	13.8
149.09645	1.6
149.13274	11.5
151.14799	2.0
153.12717	1.2
157.10152	1.1
159.11653	6.3
161.13274	11.0
163.14809	7.5
165.12875	1.3
171.11734	1.3
173.13268	5.9
175.14861	4.7
177.16391	2.4
184.07346	1.7
187.14883	2.3
189.16417	2.4
201.16269	2.0
203.18054	1.2
210.74968	1.2
217.19402	1.2
222.45187	1.2
231.25290	1.3
241.19595	2.4
243.21048	5.8
245.22702	3.4
259.20639	4.0
261.22141	24.8
263.23651	5.1
314.03989	1.2
314.44452	1.6
317.24823	4.3
333.24313	3.2
335.25803	78.3
336.26193	3.7
337.27377	85.2
338.27533	2.0
339.28992	4.5
464.82065	1.3
523.44977	2.2
541.46112	1.6
557.44965	1.4
597.48779	28.9
598.49420	1.8
615.49829	17.1
618.23822	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	2.1
61.02930	6.1
66.90969	1.3
67.05514	7.2
69.03439	2.6
69.07065	2.9
69.44678	2.9
69.45081	7.5
73.02915	3.8
76.60127	1.2
79.05512	6.3
81.03432	3.8
81.07053	6.8
83.08649	2.4
85.02917	4.6
87.04479	1.4
87.10994	1.3
91.03985	2.8
91.05501	4.0
91.81794	1.2
93.07053	6.1
95.04980	2.4
95.08589	6.5
97.02908	5.7
101.02401	3.0
105.07066	3.3
107.08582	2.5
109.10176	2.1
119.08596	2.3
121.10159	3.1
123.11627	1.3
124.40676	1.2
127.03978	1.4
131.08563	2.8
133.10136	1.5
136.69904	1.3
149.09621	2.9
222.09962	1.4
243.08592	1.8
267.15805	1.9
297.16748	13.5
336.26306	1.9
353.19147	1.8
515.24622	8.3
519.29138	4.0
639.46582	1.4
793.47046	100.0
794.47345	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	794.533
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	1.0
57.07050	0.3
58.06604	0.4
59.37395	0.3
60.08166	6.1
67.05492	1.3
68.33598	0.3
69.07080	0.5
71.07376	4.0
79.05506	0.8
81.07064	1.5
83.08603	0.3
86.09708	32.3
87.04492	1.7
91.05471	0.6
93.07030	1.1
95.08595	1.1
98.98473	3.9
104.10729	2.2
105.07014	0.7
107.08596	0.6
109.10132	0.5
119.08557	0.4
121.10129	0.7
125.00005	21.2
127.37860	0.3
129.06973	0.4
131.08549	0.5
133.10117	0.6
135.11702	0.4
184.07343	100.0
185.07739	0.5
187.14847	0.3
223.35312	0.4
335.25891	0.4
794.53156	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	793.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.0
60.08156	0.6
61.02928	6.2
67.05502	4.8
69.03439	3.6
69.07072	1.5
71.00907	0.9
71.01319	0.9
71.05003	2.7
72.70033	0.5
73.02908	4.9
79.05495	5.2
81.03416	3.2
81.07058	8.3
81.89754	0.5
83.04999	0.7
83.08615	0.7
85.02911	5.0
86.09702	1.5
87.04476	1.1
89.06051	2.0
91.03962	3.6
91.05473	4.1
93.07059	4.4
95.04974	1.3
95.08604	4.6
97.02901	5.2
97.06532	0.6
99.04461	1.2
101.02393	1.7
103.05482	0.7
105.07040	8.5
107.08604	2.5
109.02884	0.9
109.10165	1.7
111.04462	0.7
113.95409	0.6
117.07054	0.7
119.08620	2.6
121.10168	1.7
123.11705	1.0
127.03915	1.3
131.08589	1.0
133.08649	1.0
133.10155	1.1
135.11685	0.7
147.08029	0.6
147.11740	1.9
149.13379	0.5
157.10188	0.7
184.07318	4.8
243.08586	1.9
265.14175	1.5
280.84259	0.5
335.25830	1.3
483.22388	0.9
515.24664	2.8
519.29327	9.4
534.79565	0.6
567.36560	0.8
652.15009	0.6
761.44537	1.1
793.47070	100.0
794.47467	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	793.4702
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	2.2
58.14730	0.6
59.04976	0.8
61.02938	4.4
67.05505	5.4
69.03438	3.4
69.07069	1.1
71.01340	0.7
71.04995	2.8
71.62163	0.8
73.02912	3.6
79.05499	5.1
81.03407	4.3
81.07045	5.0
83.04965	0.8
83.08598	1.4
85.02917	5.5
87.04488	1.3
91.03960	2.5
91.05478	4.4
91.71937	0.6
93.07053	2.9
95.04960	1.4
95.08605	3.2
97.02909	3.7
100.67935	0.7
101.02383	1.7
105.07029	6.3
107.08575	1.7
109.02914	0.8
109.10130	1.7
119.08570	2.5
121.10145	1.9
127.03916	1.6
131.08597	1.6
133.10141	1.2
136.78860	0.6
147.11684	3.1
157.10147	1.1
165.12869	0.7
175.11105	0.8
184.07257	1.1
193.12201	1.1
243.08463	1.7
335.25818	1.1
480.00845	0.6
483.22330	1.3
515.24683	8.5
519.29358	3.8
567.36121	0.8
793.47333	100.0
794.47418	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	793.4346
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	1.8
57.07096	0.5
61.02933	6.9
66.14692	0.6
67.05505	7.3
69.03432	4.8
69.07079	1.4
69.31466	3.0
69.31893	2.6
71.05003	1.0
73.02921	4.9
79.05495	5.4
81.03431	4.0
81.07053	6.9
83.04974	1.0
83.08611	1.5
85.02912	7.6
86.09700	0.7
91.03964	4.3
91.05472	4.0
93.07059	6.2
95.04962	1.6
95.08591	4.3
97.02901	6.0
99.04465	0.8
101.02367	3.2
101.84721	0.6
105.07046	2.6
107.04981	0.6
107.08580	2.9
109.02918	1.0
109.10155	1.8
109.16861	0.5
115.03944	0.8
117.07027	1.0
119.08576	2.8
121.10136	3.4
125.48053	0.6
127.03956	2.0
129.07025	0.7
131.08588	1.0
133.10143	1.2
135.11742	1.6
147.11714	1.2
149.09593	0.7
161.13234	0.7
173.13148	0.6
175.11325	0.7
176.59616	0.5
184.07333	1.5
193.12344	1.5
243.08502	2.6
251.12579	1.4
297.13126	1.1
335.25845	1.6
469.20691	2.7
500.47528	0.6
515.21204	2.5
519.29346	10.6
567.36951	1.3
747.42786	3.2
793.43433	100.0
794.43707	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	793.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.8
59.05005	0.8
61.02928	4.3
67.05508	4.0
69.03439	3.2
69.06762	0.5
69.07069	2.8
69.99788	2.3
71.01369	1.1
71.04994	1.6
73.02914	3.1
74.70233	0.5
79.05484	4.0
81.03430	4.3
81.07059	6.2
83.05016	1.3
83.08633	1.4
85.02902	4.2
87.04492	0.6
91.03977	2.3
91.05489	5.1
93.07069	4.0
95.01353	0.5
95.04984	1.8
95.08609	3.7
97.02904	3.5
97.06561	1.7
98.20762	1.0
99.04459	0.8
101.02403	1.9
103.03999	0.6
105.07040	5.7
107.04958	1.2
107.08598	2.5
109.02878	1.0
109.06513	0.9
109.10177	1.2
111.08104	0.5
115.05550	0.5
117.07043	0.7
119.08587	3.0
121.06530	1.0
121.10175	2.3
123.08118	0.7
127.03942	1.0
129.07027	0.9
131.08607	1.9
133.10123	2.8
135.11731	1.0
145.10156	0.8
147.11705	2.5
149.09676	2.2
157.10155	0.7
159.11742	0.7
163.11281	0.9
167.20703	0.5
175.11226	0.9
184.07414	1.0
185.04312	0.6
186.43848	0.5
193.12283	1.1
225.14923	0.7
243.08401	3.3
267.16068	0.9
283.15170	3.3
293.13278	0.5
315.19366	3.1
371.22156	1.3
440.01059	0.6
469.20282	0.6
501.23083	10.9
502.23801	0.6
533.27271	8.8
533.34845	0.6
534.27795	0.6
539.21143	0.6
576.35382	0.5
580.10370	0.6
623.30457	0.6
716.89905	0.6
793.43549	100.0
794.43878	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	792.5617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05518	20.7
57.03445	14.6
57.07073	3.5
59.21797	0.9
61.02927	4.1
65.03942	3.8
66.10522	1.0
67.05510	78.3
68.05812	1.0
69.03448	1.2
69.06712	1.3
69.07073	19.8
71.04985	2.2
73.02904	1.2
79.05499	51.3
81.03425	1.2
81.07063	75.1
83.04961	1.5
83.08627	9.2
85.02908	4.1
85.06550	2.0
91.04984	0.9
91.05486	31.5
93.07052	59.2
95.04967	4.5
95.08612	58.2
97.02895	2.3
97.06538	3.0
97.10178	3.3
105.04540	1.5
105.07033	25.8
107.08604	31.7
109.06528	2.4
109.10159	28.3
111.08073	2.7
117.07037	7.6
119.08585	19.6
119.09441	1.3
121.10155	28.3
123.08073	2.2
123.11721	10.5
125.09630	1.2
129.07094	1.1
130.07796	1.2
131.08563	16.3
133.10138	16.1
135.11708	18.0
137.09630	1.6
137.13269	3.0
143.08606	2.6
145.10126	12.3
147.11699	11.7
149.13284	10.3
157.10139	2.5
159.11719	11.4
160.59708	0.9
161.13301	8.0
163.14789	7.3
169.10138	1.0
171.11766	2.6
173.13278	8.0
175.14809	3.1
177.16382	1.9
179.14287	1.2
183.11806	1.3
185.13251	2.4
187.14830	4.6
189.16356	1.6
199.14897	1.8
201.16331	2.3
215.14644	1.1
216.12444	1.0
229.16325	1.1
241.19531	1.6
243.21078	6.6
259.20670	8.0
261.22144	21.0
261.24780	1.8
263.23743	1.4
317.24728	4.1
333.24225	5.7
335.25824	100.0
336.26230	4.7
337.27383	10.6
381.35788	1.0
395.07169	1.2
521.43335	2.3
586.34662	1.2
595.47198	14.2
613.48309	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	791.4551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.6
55.05509	1.7
57.03437	2.1
57.07075	0.6
61.02931	7.0
64.87940	0.4
65.03940	0.6
67.05511	6.4
69.03438	4.1
69.07068	1.4
70.84875	1.0
71.01356	0.6
71.04993	3.2
73.02921	5.3
79.05503	5.2
81.03425	3.0
81.07066	5.8
83.05004	0.5
83.08620	0.7
85.02905	6.2
85.90514	0.4
87.04478	0.7
89.06045	1.7
91.03966	4.1
91.05494	3.9
93.07056	4.4
95.05000	0.8
95.08616	4.7
97.02896	6.9
97.06546	0.5
99.04477	1.2
101.02407	2.6
103.03951	0.5
105.07033	2.1
107.04939	0.7
107.08588	2.9
109.02908	0.9
109.06497	0.5
109.10184	2.0
113.13612	0.4
115.03954	0.7
117.07060	0.9
119.08623	1.9
121.10161	2.0
123.08084	0.4
123.11690	0.6
127.03938	1.9
131.08601	0.7
133.08612	0.7
133.10179	0.7
135.11713	1.2
145.10150	1.6
145.85564	0.4
147.07961	0.5
149.13268	0.6
163.11232	0.6
173.09695	0.5
185.04260	0.6
203.05399	0.5
206.30008	0.4
243.08406	3.7
263.12677	0.6
295.15131	3.3
310.33942	0.5
335.25964	0.4
384.82532	0.5
397.04544	0.4
513.23035	3.9
519.29358	10.2
520.29633	0.5
641.78723	0.4
687.39636	0.4
791.45526	100.0
792.45868	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	791.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.7
56.34013	0.5
57.03437	1.9
59.04997	1.4
61.02928	6.0
62.74180	0.4
67.05510	6.4
69.03429	3.9
69.07087	1.4
71.01383	0.7
71.04981	0.9
71.48881	0.5
73.02921	4.1
79.05512	4.2
81.03439	1.9
81.07061	6.0
83.08619	0.8
85.02912	6.1
86.09721	0.4
87.04465	1.1
88.21259	0.4
89.06039	1.7
91.03965	3.1
91.05479	3.5
93.07056	3.7
95.08622	4.4
97.02901	5.1
99.04449	0.9
101.02398	2.2
105.06453	0.5
105.07042	2.3
107.04974	0.4
107.08578	2.2
109.02893	1.1
109.06549	0.8
109.10163	1.5
117.07005	0.9
119.08609	1.4
121.10159	1.4
127.03957	1.5
129.05516	0.5
131.08621	1.3
133.08644	0.7
133.10127	0.8
135.11731	0.9
145.05058	0.5
145.10213	0.5
149.13150	0.4
154.32799	0.5
159.11708	0.6
171.78128	0.5
173.11848	0.5
174.79283	0.5
184.07430	1.4
185.04376	0.6
243.08473	2.8
295.15091	4.8
307.09906	0.5
317.48752	0.5
335.26010	0.8
351.17734	0.5
427.19571	0.5
500.46634	0.5
513.23297	6.4
519.29297	5.2
610.85883	0.5
791.45508	100.0
792.45721	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	790.4946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	7.1
55.05519	29.6
57.03426	11.6
61.02920	4.9
63.43571	3.2
65.03944	4.3
67.05506	67.5
69.03422	7.3
69.07083	22.1
71.04989	14.3
73.02895	5.4
78.38665	4.2
79.05048	4.8
79.05498	58.2
80.05817	3.0
80.72553	3.1
81.03417	49.6
81.07056	65.1
83.04977	11.9
83.08629	23.3
85.02898	9.4
85.06548	4.9
86.09698	9.0
91.05485	61.9
93.07051	67.9
95.04974	21.6
95.08613	38.8
97.02895	5.6
97.06506	6.3
97.10168	14.9
105.07037	59.7
107.04906	7.7
107.08601	36.0
108.63290	3.5
109.06548	6.4
109.10153	22.2
111.08077	4.1
117.06999	19.2
119.08592	41.6
121.06525	7.1
121.10162	30.9
123.08063	9.1
123.11666	4.0
125.00001	4.6
125.05954	3.7
125.09611	7.1
129.06993	19.0
131.08583	27.8
133.06465	5.5
133.10144	32.9
135.08046	6.3
135.11714	18.5
141.06987	4.8
143.08543	14.9
145.10150	21.2
147.07988	6.2
147.11681	21.9
149.09613	6.7
149.13251	5.7
151.11145	4.1
155.08562	8.3
157.10170	19.3
159.11703	19.5
161.09671	4.7
161.13248	10.0
163.11198	7.6
169.10144	10.9
171.11697	12.0
173.13206	7.8
175.11259	4.1
175.14851	5.5
181.10040	4.8
183.11661	9.1
184.07368	13.8
185.13264	6.7
189.11205	4.4
193.12329	3.5
195.11812	4.8
197.13420	4.6
199.14809	6.4
227.12801	6.4
259.20575	20.3
267.15952	22.9
275.20010	6.4
299.23718	6.8
301.20053	3.6
333.24185	7.9
387.14105	3.9
421.25674	8.1
425.46021	3.8
433.30960	13.5
435.27414	6.3
449.29221	5.2
450.11105	4.1
451.32092	12.4
469.33157	7.3
470.31659	3.5
507.34637	7.0
517.34961	10.2
525.35895	52.7
543.36877	100.0
544.37030	6.9
557.38049	9.9
575.39252	13.9
791.40985	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	790.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.4
56.05033	0.7
57.07060	0.2
58.06376	0.2
58.06628	0.4
60.08163	6.3
62.97293	0.2
67.05504	0.5
69.07063	0.3
71.07378	3.5
71.46323	0.2
73.11167	0.2
73.12084	0.2
78.81171	0.1
79.05492	0.6
79.05899	0.1
81.07059	0.7
83.08613	0.2
86.09705	30.6
87.10009	0.3
91.05478	0.3
93.07059	0.3
95.08605	0.5
98.98470	3.3
104.10742	2.9
105.07043	0.4
107.08597	0.3
109.10179	0.2
119.08626	0.3
121.10170	0.2
125.00006	21.8
131.08594	0.3
133.10130	0.4
135.73662	0.2
147.11752	0.2
184.07339	100.0
185.07712	0.8
234.57219	0.2
275.19861	0.2
276.20395	0.2
410.59457	0.2
444.62479	0.2
496.33566	0.3
610.45020	0.3
690.47052	1.4
772.53894	0.7
790.55908	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	790.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.3
55.05513	33.2
57.03441	17.9
61.02940	4.6
65.03919	6.0
67.05505	100.0
69.03428	17.8
69.07080	30.5
69.44009	24.2
71.01379	3.6
71.04990	11.0
79.05496	81.5
81.03401	19.9
81.07059	86.9
83.04982	16.6
83.05437	3.6
83.08623	14.2
85.02909	9.0
85.06551	8.2
86.09713	8.8
87.04488	3.8
91.05485	60.7
93.07049	86.5
95.04967	13.9
95.08614	57.5
97.02905	17.0
97.06533	16.9
97.10166	10.0
98.20786	8.2
99.04434	5.6
103.05518	4.3
105.04550	4.2
105.07037	41.1
107.04943	11.6
107.08590	47.8
109.02902	6.6
109.06522	12.3
109.10159	35.6
110.23857	3.8
111.04428	14.0
111.08054	4.3
117.07011	16.7
119.08578	34.9
121.06499	6.6
121.10152	50.2
123.08087	7.1
123.11660	5.1
124.69910	3.6
125.00007	7.3
125.09649	6.8
129.07048	12.8
131.08569	29.5
133.06526	4.6
133.10133	19.1
135.08057	7.3
135.11674	25.8
139.11201	12.6
143.08536	5.1
145.10123	25.7
147.07967	5.6
147.11696	12.2
149.09633	12.7
149.13263	11.4
151.11263	5.2
155.08585	6.1
157.10135	7.2
159.11685	13.2
161.09637	5.0
161.13226	6.6
163.11188	12.3
171.11693	5.2
173.04466	8.0
173.09653	5.7
173.11841	5.6
173.13306	12.8
181.12241	5.2
184.07375	29.2
187.14809	4.2
191.10652	6.2
209.11752	34.6
213.14789	4.4
227.12816	11.5
229.14336	7.1
241.14339	12.8
261.22153	14.0
283.15424	16.8
301.16428	23.1
315.18179	7.9
315.23093	4.4
335.25824	59.8
408.23624	4.2
451.31918	8.8
467.65887	4.7
469.33554	5.1
489.35715	4.9
501.35620	9.9
525.35895	7.2
543.36865	37.4
561.37573	22.8
575.39478	7.8
579.39117	5.6
790.43591	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	790.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.4
55.05516	35.0
57.03177	1.5
57.03439	18.1
57.07067	4.6
57.30341	1.1
59.05004	27.6
59.74268	1.2
61.02915	3.2
65.03934	4.0
67.05505	100.0
68.05832	1.6
69.03429	4.8
69.07068	13.4
71.04988	9.9
71.08620	2.6
71.61433	1.2
79.05495	48.2
81.03433	8.7
81.07059	54.7
82.07394	2.3
83.04990	6.1
83.08631	16.0
85.02898	5.6
85.06537	3.5
86.09710	3.6
87.04469	42.6
89.06021	3.3
91.05485	28.2
93.07047	37.5
95.04959	7.2
95.08607	39.1
97.02869	3.5
97.06516	4.0
97.10172	12.7
99.04450	10.8
99.08089	3.1
103.05532	1.5
105.07035	17.6
107.04951	2.7
107.08589	24.5
109.06546	3.2
109.10159	52.2
109.10910	2.5
111.04459	1.9
111.08080	4.5
117.07019	4.4
119.08573	15.0
121.10158	18.9
122.10498	1.5
123.11722	3.1
125.00005	3.1
125.09638	12.2
129.07010	1.8
131.08548	13.1
133.08574	2.0
133.10143	9.9
135.11690	11.6
137.09676	3.0
143.08582	2.1
143.10701	2.0
145.10138	8.6
147.11656	7.1
149.09601	2.8
149.13289	5.5
153.12770	2.1
155.10617	2.3
157.10136	2.7
159.11716	6.6
161.13303	4.0
163.11166	4.9
163.14844	2.1
171.11761	1.6
173.11729	13.8
173.13261	4.6
175.11273	1.7
179.14430	1.6
184.07372	13.7
185.13135	1.5
187.14799	1.8
189.11298	2.3
191.10695	1.9
193.12308	2.2
195.13699	1.3
199.13290	7.8
209.89551	1.3
213.86421	1.3
217.14326	1.3
223.13324	1.4
227.12784	5.4
229.14362	35.1
241.14467	2.3
243.21021	3.1
257.13962	2.6
261.22214	10.0
267.15988	8.4
275.19830	1.7
277.21649	1.6
283.15533	1.7
315.18103	4.2
315.23596	1.3
330.51407	1.5
333.19113	1.3
335.25806	49.2
336.26111	2.3
337.26993	2.7
363.25266	2.0
477.35727	11.5
489.28754	2.2
489.35721	34.9
490.36047	1.9
491.36798	2.3
529.38068	1.6
531.40582	8.9
543.37109	2.4
575.38794	1.5
593.40002	1.7
613.48212	5.7
631.48901	2.7
815.11462	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.4
55.05261	2.2
55.05513	38.7
57.03439	19.3
57.07061	5.9
59.04740	2.0
59.05002	30.8
61.02914	3.8
65.03928	4.1
67.05506	100.0
67.07383	1.3
69.03415	5.4
69.07072	21.0
69.41785	12.0
71.04989	11.5
71.08620	2.5
79.05058	2.9
79.05494	51.1
80.05811	1.7
81.03418	10.3
81.07057	65.9
83.04968	6.2
83.08616	16.4
85.02902	7.0
85.06528	4.1
86.09702	3.5
87.04469	46.9
89.05992	3.2
91.03957	1.3
91.05481	32.2
93.07044	42.4
95.04965	6.4
95.08604	43.0
97.02871	5.7
97.06526	6.4
97.10168	19.0
97.78897	1.4
99.04462	17.0
99.08109	2.2
105.07036	17.0
107.04972	3.1
107.08589	28.8
109.06512	3.2
109.10156	55.7
110.10474	1.4
111.04443	2.0
111.08064	5.3
115.03973	1.9
117.07027	7.4
119.08570	16.5
121.06501	2.5
121.10144	19.6
123.08051	1.8
123.11702	6.2
125.00014	1.7
125.09618	15.3
127.03930	2.9
129.06934	2.2
131.08548	10.3
133.08580	3.3
133.10127	9.7
135.08124	1.6
135.11671	12.1
137.09615	2.8
137.13181	2.3
143.08536	2.4
143.10722	1.9
145.10146	9.5
147.11737	7.1
149.09570	3.1
149.13309	3.1
155.08553	1.7
155.10710	2.1
159.11688	8.0
161.13210	3.2
163.11159	6.3
163.14883	1.8
171.11661	2.1
173.11720	13.8
173.13260	5.5
175.11143	1.5
175.14842	3.3
177.11282	1.6
184.07381	9.3
185.13188	2.1
187.14822	2.5
193.12263	2.0
199.13251	10.6
201.16539	1.9
209.11617	2.5
223.13284	1.6
227.12744	6.6
229.14368	35.4
240.71153	1.6
241.14386	3.6
243.21068	3.6
259.20551	2.4
261.22137	13.8
267.15891	8.4
275.19934	3.1
315.18024	6.2
317.24631	1.6
324.68527	1.8
335.25797	53.0
336.26172	3.6
345.24506	1.5
363.25314	3.8
433.29233	1.3
459.35056	2.1
477.35742	14.9
489.28806	2.0
489.35718	34.6
525.34833	1.8
529.37915	1.8
531.40173	6.2
543.36560	3.5
561.38049	2.2
575.39252	2.9
593.40375	1.7
610.45288	2.2
613.47791	3.8
631.49725	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4586
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	17.1
55.05293	3.4
55.05515	40.8
55.57474	3.0
57.03444	24.8
57.07059	3.0
59.04973	4.1
60.08158	3.3
61.02921	6.0
61.84979	3.5
65.03942	6.6
67.05167	5.6
67.05506	100.0
69.03423	13.9
69.06721	3.7
69.07072	50.7
70.22132	11.2
71.01358	3.6
71.05014	7.3
73.02911	6.0
76.40593	2.7
79.05498	72.3
81.03425	75.6
81.07060	97.1
83.04980	30.3
83.08611	33.9
85.02895	22.7
85.06555	7.6
86.09694	9.3
91.03922	3.4
91.05482	84.8
93.07053	68.6
95.04976	39.8
95.08121	3.6
95.08610	38.9
97.02888	10.3
97.06542	25.7
97.10159	12.8
98.61611	3.4
99.04430	3.2
100.69607	3.1
101.35648	2.9
105.04521	4.6
105.07039	63.9
107.04971	23.0
107.08597	33.9
109.02875	4.2
109.06548	16.1
109.10162	36.8
111.04490	4.4
111.08071	19.6
115.05389	4.8
117.07053	21.2
119.08597	41.4
121.06525	8.4
121.10146	25.6
123.08076	15.8
123.11729	5.3
125.00004	7.6
125.06012	3.8
125.09631	7.7
127.03906	5.1
129.05437	9.1
129.07011	19.5
131.08578	36.6
133.06523	7.0
133.10136	40.2
135.08075	9.0
135.11739	18.2
137.09636	16.9
139.11147	3.2
143.08531	6.9
145.10121	18.8
147.08044	9.2
147.11699	30.4
149.09612	26.4
149.13333	4.4
151.11244	6.4
155.08502	4.0
157.08827	3.0
157.10136	18.3
159.11687	9.3
161.13329	4.5
163.11159	11.4
165.12697	5.9
171.11624	5.8
173.11751	5.4
173.13206	4.0
175.11209	16.9
177.12669	5.2
179.14384	4.5
182.43660	3.1
183.11642	4.0
184.07356	31.4
185.09561	3.3
185.13239	3.3
189.11205	3.4
193.12239	55.5
197.13306	5.5
205.12123	3.8
211.13307	57.5
227.12785	6.2
229.14395	6.5
249.14816	3.9
251.45789	3.2
253.14418	7.0
255.15874	6.0
267.15948	29.5
269.17490	10.2
273.18558	5.8
275.20099	32.0
283.15329	4.3
285.16943	41.3
291.19586	3.8
301.16501	10.6
324.13437	3.1
349.23749	35.7
365.23206	3.9
367.24698	3.8
423.27640	4.3
439.26700	8.4
463.30222	9.2
477.28049	4.0
495.29367	6.9
541.34961	9.8
557.34540	6.2
559.36230	28.2
575.35785	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	789.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	8.8
55.05510	20.4
57.03453	12.4
57.07066	3.0
57.40103	1.8
60.08145	3.0
65.03951	4.7
67.05511	58.3
67.92997	2.3
69.06759	2.7
69.07076	29.4
71.04982	3.6
71.07361	2.3
71.37039	2.1
71.47457	3.4
79.05499	41.4
81.03429	7.2
81.07065	68.9
83.04983	5.4
83.08617	12.1
83.36983	2.2
85.06542	2.2
86.09699	9.0
91.05489	54.2
93.07048	44.5
95.01334	6.8
95.04962	8.4
95.08614	40.3
97.06538	23.7
97.10148	2.7
105.07037	59.6
105.07745	3.1
107.04973	12.4
107.08598	20.8
109.06529	5.7
109.10144	14.7
115.05451	3.1
115.16462	1.8
117.06992	10.6
119.08593	33.9
121.06559	2.8
121.10146	16.6
123.08074	4.0
123.11710	4.6
124.50405	2.1
125.00018	7.4
129.07069	3.0
131.08586	18.0
133.10141	29.8
135.11674	8.9
137.09637	2.7
145.10110	13.6
147.11713	10.5
149.09634	5.0
149.13335	2.6
150.46169	2.2
151.11217	3.5
159.11732	12.8
161.13255	6.2
173.13271	2.6
179.14331	7.8
184.07324	29.4
197.13310	3.1
219.17415	24.8
257.19061	4.3
261.22235	2.5
275.20111	67.6
293.21060	6.5
335.21954	4.7
335.25830	83.6
349.23724	20.0
453.39813	2.6
593.19482	2.5
609.45148	100.0
610.45172	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	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	12.0
55.05513	38.6
56.96576	3.5
57.03440	26.0
57.07077	3.4
59.03812	2.7
61.02916	6.7
65.03946	7.2
67.05508	88.6
69.03428	18.8
69.07069	52.2
71.04999	25.7
71.07323	3.1
71.61175	3.0
71.66753	2.8
73.02914	10.2
74.61956	2.8
77.51740	2.7
79.05494	100.0
81.03414	64.6
81.07059	90.8
83.01344	3.5
83.04990	27.1
83.08621	31.8
85.02895	35.2
85.06556	5.9
86.09721	4.5
91.03967	3.9
91.05481	83.7
93.06467	3.8
93.07049	76.1
95.04964	37.6
95.08605	42.1
97.02883	16.2
97.06532	79.6
97.10171	11.2
99.08088	7.2
105.07029	56.7
107.04955	22.7
107.08598	52.2
108.90794	3.1
109.02886	6.7
109.06514	29.3
109.10148	29.1
111.04530	6.7
111.08076	16.4
115.05473	6.0
115.07571	17.7
117.07016	23.5
119.08578	41.8
121.06504	11.3
121.10123	27.1
123.08051	15.2
123.11687	7.1
124.11272	3.3
124.99945	3.1
125.05978	5.1
125.09671	7.9
127.03905	10.6
129.07002	18.6
131.08568	34.0
133.06468	10.5
133.10126	31.7
135.08057	14.4
135.11705	15.1
137.06004	4.7
137.09621	7.3
142.07736	5.6
143.08574	10.3
145.10147	25.9
147.08075	9.3
147.11676	23.6
149.09589	12.9
149.13281	13.7
153.12772	3.7
155.08540	5.0
157.10112	20.1
159.08035	3.5
159.11694	11.6
163.11183	18.9
165.09198	3.3
165.12733	4.5
169.10153	3.9
173.04529	4.8
173.11789	5.2
173.13234	4.0
175.11194	14.3
177.12776	4.5
181.12219	4.7
184.07379	14.0
185.13290	4.8
189.11285	3.4
191.10667	3.8
193.12213	36.1
195.13719	6.9
199.14966	3.6
209.13676	2.9
211.13261	47.8
211.15167	3.0
214.36070	2.9
217.15862	9.7
224.10622	3.0
227.12776	11.2
229.14375	11.9
245.19156	3.5
246.28252	3.3
257.18872	4.2
263.20169	2.9
267.15921	21.3
269.17484	23.9
273.18515	24.7
275.20071	11.5
283.15414	37.1
285.16971	45.4
285.34909	3.2
291.19583	15.9
307.19238	4.8
347.22229	8.8
349.23776	8.9
365.23221	8.3
367.24878	5.4
435.59061	3.5
437.25253	23.0
457.72632	3.1
461.29007	10.5
477.28452	47.3
479.30008	20.3
557.35004	24.3
575.36053	20.9
593.36237	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	788.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.9
57.07071	0.3
58.06612	0.6
58.38098	0.2
60.03530	0.2
60.08166	6.4
67.05492	0.4
71.07377	4.4
71.08644	0.3
81.07077	0.5
86.09708	32.9
87.10059	0.3
89.06023	0.3
93.38480	0.2
95.08610	0.3
98.98470	4.5
104.10738	2.7
107.08604	0.3
119.87912	0.2
123.99229	0.3
125.00008	21.7
166.02693	0.2
175.27325	0.2
180.61043	0.2
184.07341	100.0
185.07680	1.0
229.61113	0.4
278.21832	0.2
307.65845	0.2
328.95181	0.2
574.26123	0.3
600.31805	0.3
672.70453	0.3
690.46991	1.1
770.52808	0.7
788.54486	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	788.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05520	11.0
57.03437	6.1
57.07066	2.1
61.02881	1.2
67.05510	31.5
67.80719	1.2
69.03423	3.7
69.07064	9.0
69.59394	2.3
69.59803	6.0
71.05000	4.0
79.05499	29.6
81.03420	39.0
81.07060	31.4
83.05002	8.6
83.08636	14.6
85.02913	10.9
85.06566	2.0
86.09720	2.8
91.05487	21.4
93.07053	29.8
95.04979	15.7
95.08620	18.2
97.02902	3.8
97.06527	3.9
97.10213	2.6
98.21553	1.9
105.07026	22.6
107.04983	2.4
107.08604	14.0
109.06509	1.6
109.10179	8.1
111.08086	6.3
113.06023	1.2
114.18997	1.1
117.07022	3.9
119.08579	13.9
121.06490	1.7
121.10140	14.7
123.08052	1.9
123.11710	2.3
124.42918	1.1
127.03931	1.7
128.17737	1.1
129.06982	5.9
131.08568	9.1
133.06522	1.7
133.10115	7.3
135.08080	1.3
135.11702	5.1
142.07797	1.4
145.10117	2.9
147.08066	1.4
147.11725	8.4
149.09642	3.4
149.13301	1.8
157.10110	5.5
159.11725	1.8
161.13237	1.5
163.14737	1.2
164.87190	1.1
165.12729	1.8
168.21834	1.0
173.13196	1.9
175.11212	6.9
181.12273	1.2
184.07378	6.9
193.12257	17.9
211.13309	20.8
227.12729	2.1
243.20970	1.8
249.14812	1.4
261.22137	3.7
267.15939	13.1
273.90402	1.1
285.17114	5.3
285.62772	1.2
335.25827	22.5
336.25934	1.8
355.17288	1.5
429.21161	5.8
449.18411	1.3
476.30780	1.4
527.03418	1.3
527.37451	9.1
545.38409	100.0
546.38568	3.6
653.40295	1.4
689.42273	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	788.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05514	15.0
57.03441	6.6
57.07075	1.9
65.03937	2.0
67.05508	38.0
69.03429	5.5
69.07073	10.8
71.04991	3.5
79.05496	39.1
81.03425	42.1
81.07062	37.5
83.04989	7.9
83.08627	12.4
85.02915	10.4
85.06561	1.6
86.09718	2.7
91.05479	26.4
93.07050	34.1
95.04974	15.3
95.08615	24.3
97.02879	4.7
97.06534	4.0
97.10172	2.5
99.04440	1.2
99.08122	1.3
105.07034	21.4
107.04956	3.3
107.08602	16.2
109.02874	1.6
109.06530	3.5
109.10159	9.1
111.04452	2.5
111.08089	4.7
113.06035	1.3
116.06284	0.9
117.07010	4.5
119.08588	16.2
121.06511	1.4
121.10150	18.0
123.08057	2.7
123.11716	2.1
124.99989	1.6
125.06005	1.1
125.09640	1.9
127.03939	2.3
129.07014	4.9
131.08562	11.9
133.06502	2.1
133.10139	8.3
135.07986	0.9
135.11703	6.0
137.09608	1.2
137.13274	1.2
142.07808	1.4
145.10114	6.5
147.08083	2.4
147.11696	11.9
149.09618	2.4
149.13287	3.5
157.10129	7.0
159.11699	3.6
161.13287	3.3
163.11212	1.0
163.14796	1.5
165.12772	2.7
171.00935	0.9
173.13271	1.7
175.11174	6.3
184.07407	5.7
187.14902	1.3
193.12245	19.1
211.13295	16.3
227.12889	1.5
229.14194	0.9
229.62651	1.0
238.54050	1.0
241.64395	0.9
243.21074	2.2
249.14851	1.8
261.22098	5.4
267.15921	18.6
285.16928	5.7
301.25064	0.9
317.24664	1.2
335.25812	34.4
336.26166	1.6
355.17459	1.3
402.27161	0.9
411.20392	1.6
415.71191	0.9
429.21417	5.8
453.33893	1.3
527.37402	10.3
545.38403	100.0
546.38702	4.8
670.19110	0.9
689.42487	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	788.478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	6.8
55.05518	10.8
57.03435	5.5
57.69577	0.9
60.97970	0.9
62.15085	0.9
64.61904	0.9
65.03934	1.9
67.05505	20.7
69.03425	2.2
69.07065	15.0
70.22124	2.9
70.22552	1.8
71.04990	1.6
76.55319	1.1
79.05495	17.0
81.03422	33.9
81.07056	30.7
83.04976	5.4
83.08619	8.4
85.02895	1.9
85.06515	1.7
86.09687	1.6
91.05485	32.0
93.07049	18.9
95.01323	3.7
95.04973	12.5
95.08608	13.9
97.02898	1.8
97.06532	9.7
97.10165	2.4
99.08092	1.5
105.07031	39.8
107.04962	9.1
107.08599	10.3
109.06503	3.0
109.10150	7.2
111.08083	3.3
113.09621	1.0
113.27548	1.0
114.41163	1.1
117.07031	5.6
119.08585	21.2
121.06481	1.8
121.10140	7.3
123.04349	1.2
123.08050	2.4
123.11714	1.6
125.09638	2.3
129.06999	3.6
131.08591	10.7
133.06496	1.8
133.10124	19.7
133.11081	1.9
135.07997	1.7
135.11684	4.0
136.76956	1.1
137.09644	1.5
141.06964	1.2
142.07837	1.3
143.08566	2.9
145.10126	7.5
147.08089	1.7
147.11682	8.1
149.09628	3.9
149.13225	2.4
151.11191	2.7
155.08524	1.5
157.10149	6.4
159.11699	5.4
161.13274	3.5
163.11198	2.7
165.12843	1.3
169.10179	1.8
171.11726	2.6
173.13226	1.8
175.11191	3.3
177.12811	2.3
179.14256	4.9
184.07399	3.4
187.11147	1.9
193.12253	7.4
197.98228	1.1
253.14275	2.9
257.18994	3.7
267.15921	33.7
273.18552	1.7
275.20065	25.4
283.15305	1.2
285.16986	1.1
291.19586	2.0
349.23758	19.2
446.31970	1.1
529.38373	1.6
541.35284	100.0
542.35748	5.8
559.36401	2.9
626.44659	1.4
664.49036	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.7
55.05283	2.0
55.05515	20.0
56.29150	1.6
57.03441	16.4
57.07078	2.1
61.02914	3.5
63.01054	1.6
65.03940	3.3
67.05505	67.3
69.03426	4.8
69.07072	15.5
69.55111	6.0
69.55536	6.5
71.04980	3.5
79.05043	3.0
79.05495	46.2
81.03419	79.6
81.07059	63.8
83.04980	8.4
83.08627	23.4
85.02913	2.6
85.06538	4.0
86.09705	2.7
91.05482	39.0
93.07048	49.0
95.04975	26.4
95.08035	3.1
95.08610	44.4
97.02879	5.2
97.06533	4.9
97.10172	7.1
99.02697	1.7
99.08120	2.5
105.07031	30.3
105.07671	3.0
106.07362	1.5
107.04955	6.6
107.08601	29.4
109.06515	5.6
109.10168	19.4
111.04477	2.7
111.08056	7.6
117.07013	8.1
119.08583	26.6
119.46881	1.5
121.06483	5.1
121.10137	23.2
123.08063	2.3
123.11716	7.9
125.00018	3.8
125.09646	5.9
129.07007	12.5
131.08577	21.1
133.06503	3.1
133.10139	18.4
135.08047	2.2
135.11679	15.1
137.09576	2.8
137.13240	1.8
142.07822	3.8
143.08548	3.6
145.10112	10.9
147.08081	3.1
147.11694	12.3
149.09625	7.1
149.13290	7.0
151.11154	2.1
157.10127	11.8
159.11674	8.1
161.13275	5.4
163.14783	4.8
165.12819	2.4
171.11807	2.1
173.11777	1.8
173.13219	5.0
175.11176	5.5
177.12627	1.7
184.07344	17.2
185.13303	2.1
187.14867	3.0
189.11153	3.3
193.12256	23.3
199.14825	1.8
211.13234	3.4
227.12721	5.3
243.21185	7.5
246.60269	1.4
249.14819	3.8
259.20535	2.0
261.22208	21.0
267.15921	100.0
268.16260	2.3
279.23376	2.2
301.25156	6.2
309.61307	1.6
317.24567	3.3
331.04532	1.5
331.17279	3.2
335.25790	95.1
336.26019	3.0
386.69257	1.6
435.32388	4.3
453.33807	7.7
466.20474	1.5
471.34714	3.6
489.35693	3.5
527.37311	57.1
528.37500	4.4
529.38660	5.2
545.38379	35.2
569.38593	3.3
573.37231	1.9
591.38434	3.7
611.46826	2.5
652.42230	1.8
752.09760	1.6
793.74280	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.6
55.62872	1.2
69.03430	23.5
69.07067	1.3
70.06569	2.2
71.04990	2.3
71.10313	1.8
71.10660	2.8
78.40595	1.1
79.05489	1.5
81.02966	2.2
81.03416	30.0
84.89845	1.3
85.02909	9.9
86.09705	1.4
89.03905	1.7
91.05469	3.5
93.07012	1.6
97.02884	5.2
98.97646	1.7
99.04455	7.1
103.05473	1.6
105.06973	1.5
107.08580	1.3
109.02880	17.9
109.10154	2.9
117.03383	1.8
119.04982	2.7
123.26083	1.2
127.03917	10.0
131.04875	2.1
133.10199	2.9
135.04428	2.4
135.11647	3.1
135.60591	1.5
137.09581	2.4
145.02861	2.3
145.04942	1.5
147.04399	8.3
153.01804	5.6
157.02998	1.5
161.02327	1.9
163.03891	7.0
165.01895	1.6
167.03345	1.8
167.19882	1.2
173.02303	2.3
175.03954	3.8
179.03441	3.0
181.01358	9.4
187.03946	4.4
189.01840	2.4
190.02702	1.6
191.01733	1.0
191.03407	27.6
193.01294	3.4
193.06540	1.3
193.08282	1.4
193.15816	1.5
201.01857	4.8
203.03391	4.5
207.02884	3.7
211.17000	2.1
213.01799	2.8
215.03481	4.1
217.01343	10.0
219.02899	26.5
221.04417	3.3
223.02403	1.4
229.01363	4.9
231.02885	17.0
234.01479	2.1
235.02408	28.2
241.01321	3.8
245.00848	4.7
247.02393	7.1
249.03940	27.1
249.06516	1.5
257.00903	6.5
257.03201	1.3
259.02402	29.8
263.01837	12.2
275.01950	11.4
275.76642	1.2
276.02719	6.4
276.05649	1.3
277.03439	100.0
278.03802	2.7
285.00296	6.2
287.05441	17.2
291.01401	19.7
295.04456	3.9
303.01364	74.2
304.01755	2.7
304.40967	1.3
305.02759	2.3
309.02359	19.8
321.02298	2.9
323.04062	4.8
359.23480	2.0
359.73520	2.0
392.19528	2.5
392.69873	1.5
447.05453	5.8
467.08331	2.8
613.19647	1.2
787.10663	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	786.4993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	6.3
55.05511	25.9
56.79012	1.6
57.03435	13.9
57.07074	1.7
59.04999	2.7
59.06121	1.8
61.02890	1.4
63.78552	1.5
65.03919	5.7
67.05507	65.6
69.03432	16.4
69.07069	18.0
69.45071	5.9
69.45493	5.2
71.04993	13.3
77.03976	2.2
79.05495	61.0
81.03419	49.1
81.07057	67.1
81.19154	1.6
83.01332	4.4
83.04982	19.8
83.08621	18.0
85.02888	5.7
85.06536	2.3
85.96609	1.4
86.09694	1.9
91.05483	39.1
93.07048	70.7
95.04975	14.7
95.08029	2.8
95.08610	45.3
97.02888	11.3
97.06530	9.4
97.10143	6.3
99.04433	8.2
105.06374	2.0
105.07033	28.7
107.04959	17.7
107.08599	36.4
109.02890	10.1
109.06502	6.3
109.10165	17.4
111.04444	10.9
111.08070	6.8
115.05434	2.2
117.07024	19.6
118.17983	1.5
119.08587	23.7
121.06465	4.4
121.10143	26.9
123.04424	2.4
123.08039	6.9
123.11700	1.6
125.06001	1.9
125.09612	6.0
127.03917	14.5
129.05547	1.7
129.06966	7.7
130.07768	1.7
131.08572	16.9
133.10162	10.9
135.08063	4.6
135.11699	21.3
137.09633	3.0
143.08551	5.1
145.06458	2.0
145.10127	21.4
147.08015	2.4
147.11676	6.8
149.09554	3.8
149.13225	5.3
150.09282	1.6
153.12755	16.3
155.08542	3.7
157.10123	5.0
159.11629	9.0
161.13237	5.6
163.11188	19.1
163.14722	3.4
169.10121	3.3
171.11691	3.4
173.04414	2.5
173.09613	6.0
173.11746	1.8
173.13216	4.8
175.11121	1.9
175.14818	2.9
181.12241	12.7
183.11678	2.8
184.07304	3.2
185.13228	2.8
187.84433	1.5
189.11145	3.5
191.10629	10.3
195.11717	2.2
201.16406	1.5
208.79910	1.5
209.11682	3.6
212.90001	1.6
224.05490	1.5
227.12761	28.1
243.21219	2.4
259.20596	3.3
261.22095	6.5
265.14404	5.1
283.15436	16.6
299.23734	4.1
301.16531	1.8
301.21786	1.7
317.24716	3.3
333.24252	2.8
335.25812	100.0
336.26172	4.9
351.23199	2.2
353.16049	9.6
353.36435	1.6
369.24377	2.9
379.48654	1.6
409.18735	1.9
427.14157	3.2
427.19666	43.9
433.30646	3.2
451.32190	3.5
469.33096	1.7
525.35553	9.9
543.36865	71.0
544.37073	3.4
561.37115	4.6
669.39441	2.4
687.40997	53.4
688.41724	3.2
705.42090	12.0
786.48206	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	786.4996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.4
55.05513	21.0
57.03440	14.9
57.07064	2.4
59.05002	1.9
59.84436	1.1
61.02921	2.5
65.03931	3.4
67.05507	100.0
69.03420	3.3
69.07072	15.6
69.59643	2.6
69.60059	4.4
71.04995	6.5
71.08614	1.0
75.88248	0.9
79.05494	44.8
80.01012	1.1
80.24976	1.1
81.03426	13.6
81.07060	55.5
83.04980	4.8
83.08621	9.9
85.02911	9.3
85.06544	4.4
86.09721	1.7
87.04477	1.3
90.57261	0.9
91.03983	1.3
91.05482	31.6
92.54700	1.0
93.07049	41.7
95.04978	9.2
95.08614	41.0
97.02893	3.6
97.06548	7.3
97.10175	4.0
98.06008	1.2
98.21522	1.9
103.05471	2.0
105.06347	2.0
105.07030	20.1
107.04961	9.3
107.08599	24.1
109.06512	6.2
109.10160	67.3
111.04457	2.7
111.08094	5.2
115.05453	1.3
117.07030	11.0
119.08589	19.3
121.06522	5.5
121.10148	19.4
123.04453	1.7
123.08051	1.9
123.11707	5.4
125.00063	1.0
125.09611	3.1
129.06985	2.6
131.04941	1.4
131.08585	13.6
133.10156	14.0
135.08066	1.2
135.11714	12.1
137.09621	4.6
137.13258	1.6
139.11220	1.4
141.07021	2.3
143.08562	3.9
145.06464	1.4
145.10121	10.6
147.11679	6.7
149.09607	2.4
149.13264	6.9
151.11192	1.3
154.07805	1.3
155.10661	3.0
157.10187	1.7
159.08026	1.1
159.11707	10.3
161.13319	5.1
163.11211	1.6
163.14874	3.7
165.12726	1.0
169.10115	4.1
171.11646	2.3
173.11729	17.7
173.13258	5.0
175.14856	2.2
177.12746	3.7
177.16264	1.4
179.10719	1.3
183.11754	1.2
184.07297	4.6
185.13216	1.0
187.11217	4.2
187.14763	2.2
189.11186	2.1
201.16463	1.6
205.12218	3.8
223.13266	14.5
227.12775	4.4
229.14360	76.4
230.14748	1.4
237.14925	1.7
243.21080	5.3
259.20493	1.6
261.22153	18.3
275.20062	2.1
279.15854	3.1
297.16983	23.9
317.24719	4.4
329.24896	1.7
333.24243	2.3
335.25827	83.0
336.26093	2.4
344.44992	1.0
345.99561	1.0
465.33679	1.8
489.35757	36.3
507.36206	1.2
539.37256	4.5
557.38458	15.2
575.39746	2.9
603.42480	1.0
607.43585	2.5
701.00641	1.1
786.48639	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.5331
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05043	0.7
68.05058	0.2
69.07071	0.9
71.08617	1.2
74.10899	0.2
81.07058	0.4
84.08144	0.3
86.09708	100.0
87.10042	0.9
91.05466	0.5
93.07050	0.5
94.86266	0.2
95.08600	0.5
98.09687	1.7
98.51955	0.2
103.05445	1.2
105.07027	1.7
110.09663	0.4
112.11248	6.8
112.73478	0.2
117.07024	0.3
120.08108	43.4
121.08449	0.4
128.80685	0.2
129.07069	0.2
132.08090	0.5
134.28667	0.2
134.88757	0.2
140.10759	0.2
146.09662	2.3
154.15907	19.6
155.16159	0.2
157.13370	10.8
167.11781	0.5
185.12857	12.2
186.13177	0.4
188.14345	7.3
191.11766	0.6
199.18059	15.4
200.14310	0.3
200.18405	0.4
209.16472	0.6
219.11317	1.1
225.19621	6.6
227.17546	13.3
228.17897	0.2
229.19810	0.2
233.16481	15.2
234.16815	0.3
235.17986	0.4
237.16020	0.3
241.16797	0.2
243.14900	0.5
253.19116	6.6
259.18103	2.5
261.15988	13.3
267.24323	6.8
268.24643	0.3
269.16498	0.2
277.22748	0.6
280.20157	0.3
287.17484	2.5
295.23795	3.8
298.21265	7.5
301.22742	7.5
302.23080	0.3
311.21030	0.3
322.25006	0.5
323.23407	0.3
329.22244	4.0
332.19693	5.1
340.26007	2.6
356.23239	0.4
366.27521	2.0
374.24411	4.4
375.24219	0.3
383.30038	1.7
400.26016	2.5
402.23746	0.4
408.32236	0.6
411.29697	4.2
417.28635	1.4
425.34729	0.5
439.29333	0.3
442.30762	1.9
445.28067	4.5
451.36435	0.3
453.34161	0.7
455.26587	0.2
459.33636	1.4
473.27460	0.4
479.35995	2.1
487.32803	2.0
496.38348	0.8
497.31052	0.3
513.34393	3.8
524.38025	3.5
527.39325	0.3
530.36755	2.4
555.39038	1.7
558.36572	9.5
559.35779	0.5
568.35059	0.5
572.41589	0.5
586.36377	0.5
592.44299	1.4
598.43201	0.3
600.41125	1.3
609.46936	0.3
626.42859	5.8
636.41498	0.3
637.46149	1.7
643.45374	4.1
653.43256	0.6
668.46826	0.7
671.44916	13.1
672.44836	0.8
685.49542	0.3
713.48926	0.5
739.51239	2.4
756.53760	4.5
757.53564	0.4
766.52637	1.4
784.53296	4.8
785.52429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.0672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.8
57.03429	1.4
63.52401	0.7
67.17825	0.8
68.99796	1.3
69.03432	31.7
71.01358	1.9
71.04990	1.8
73.02924	1.3
79.05492	1.3
81.03419	63.6
83.01362	1.7
83.04992	0.8
85.02915	5.4
89.03920	2.1
91.05495	1.7
97.02911	5.0
99.04480	2.4
101.14864	0.9
105.03403	1.4
107.04963	2.2
109.02878	18.9
109.03575	1.5
110.12383	0.8
117.03417	2.2
119.04944	0.9
127.03912	8.2
129.01831	1.1
133.02861	4.3
135.04463	2.1
137.02371	1.1
145.02882	2.3
145.04956	1.3
147.04439	3.7
148.07166	0.8
149.02333	1.0
151.03998	1.2
153.01834	1.3
157.02921	1.5
161.02373	5.7
163.03900	13.7
165.01871	2.7
173.02359	5.9
175.03870	4.8
177.01930	1.6
179.03458	3.0
185.02431	1.5
187.03970	3.0
189.01825	12.4
191.03383	13.6
193.01427	1.7
195.02844	0.9
201.01819	10.3
202.02631	1.5
203.03462	5.2
205.01488	1.1
207.02861	13.5
213.01889	4.1
215.03510	3.2
217.01318	22.2
218.02164	2.6
219.02896	16.8
221.00877	3.3
221.04567	1.3
229.01341	9.9
231.02893	16.0
235.02380	22.3
235.04578	1.3
239.01846	1.1
241.01395	3.0
241.04945	1.0
245.00822	20.5
247.02373	19.1
249.04051	1.1
257.00812	11.4
258.01633	1.3
259.02362	21.3
263.01791	9.4
273.00308	17.4
273.03128	1.1
275.01862	26.7
276.02673	11.0
277.03445	58.8
278.03928	1.4
285.00348	7.1
287.02142	1.1
291.01257	4.3
300.99808	7.3
302.00806	2.3
303.01352	100.0
304.01846	2.5
319.00815	7.7
321.02628	2.4
337.01904	53.0
379.03091	1.7
380.70850	0.9
407.02460	3.4
417.04272	1.1
445.04160	2.8
447.05746	2.1
463.05170	13.8
463.11319	1.1
481.06140	5.1
783.06793	33.7
784.07269	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	783.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.1
55.05492	1.8
57.03427	2.5
61.02901	1.0
65.03918	0.9
67.05499	4.0
69.03426	13.5
70.66131	2.6
71.04994	24.5
73.02899	1.3
75.02641	0.9
75.08330	0.7
75.39478	0.8
79.05490	6.7
81.03416	21.7
81.07074	4.1
83.01337	1.0
83.04999	1.2
83.12593	0.9
85.02919	7.0
87.19757	0.8
91.05479	12.1
93.07050	8.9
93.82090	0.9
95.04962	2.6
95.08592	2.8
97.02903	10.2
99.04453	19.6
103.05458	3.4
105.07032	100.0
106.07333	1.0
106.79101	0.9
107.04953	3.2
107.08609	6.5
109.02882	12.8
109.06536	1.4
109.10120	1.5
111.04423	2.8
111.08113	1.0
115.05418	1.6
117.07013	3.8
119.04938	2.1
119.08579	9.2
121.06505	3.4
121.10150	2.9
123.04364	1.2
123.08075	3.6
127.03918	94.6
127.11197	55.1
128.06221	3.1
128.11530	1.1
129.07001	1.7
130.07790	1.2
131.04933	1.4
131.08566	5.0
133.06512	8.3
133.10132	63.1
135.08078	1.1
135.11685	1.7
137.05910	1.7
143.08549	7.6
145.05000	1.3
145.06514	1.6
145.10146	6.4
145.12225	12.0
146.07272	3.0
147.04510	1.1
147.08026	2.4
147.11702	1.5
149.09627	1.0
151.07532	4.7
151.11227	1.2
155.08536	1.9
155.63319	0.9
157.06439	1.1
157.10115	2.6
159.08098	4.0
159.11737	1.8
161.09619	73.0
162.10106	0.9
163.11198	22.9
169.10106	1.2
169.26242	1.0
171.08035	4.7
171.11661	1.0
173.09641	1.4
175.11194	2.2
177.09177	1.4
179.10663	15.1
184.07303	1.4
185.09666	2.4
189.01849	1.2
189.09109	26.7
191.03421	1.2
191.10704	1.0
195.08017	0.9
199.11212	1.0
201.09100	2.0
201.12772	1.0
203.10683	1.0
205.08632	0.9
207.10143	11.7
213.09143	1.3
215.10715	1.0
217.01247	1.6
219.02907	1.4
219.10019	1.3
221.00812	0.9
221.11726	3.6
225.11258	2.6
227.06902	0.9
231.02850	2.2
231.10211	2.1
235.02295	2.4
241.08533	1.2
241.12241	1.8
245.00780	1.2
247.02339	1.5
249.11223	2.8
257.11786	1.4
259.02377	2.2
259.13358	1.3
267.12314	1.0
269.11661	4.4
271.05991	1.1
271.13440	0.9
275.01791	2.2
277.03421	7.5
277.14383	0.8
283.06003	2.1
287.12851	5.7
303.01309	8.3
305.13849	5.1
305.16867	1.2
315.12326	6.0
323.14890	12.0
331.11725	1.3
333.13388	10.2
337.01804	3.4
351.14410	49.2
352.14487	2.0
363.11151	0.9
369.15256	1.0
441.15320	1.0
459.16476	1.3
463.05084	1.5
477.17450	2.3
495.18411	2.5
513.19769	5.2
604.20850	1.0
652.11414	1.1
773.00043	0.9
783.07294	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	781.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.05918	0.5
57.03436	1.9
61.02929	6.1
61.54468	0.6
67.05509	8.5
69.03420	2.8
69.07076	1.2
71.01355	0.7
71.04978	1.1
71.61596	0.8
73.02929	4.8
79.05507	3.2
81.03426	2.1
81.07042	4.6
83.08659	0.9
85.02897	6.8
86.09715	1.7
91.03954	3.5
91.05503	2.3
93.07042	4.0
95.04993	1.1
95.08598	3.3
97.02905	5.7
99.04447	0.8
101.02389	2.7
101.23130	0.6
103.03983	0.9
105.07034	1.4
107.08630	2.5
109.02886	1.0
109.10149	5.5
113.28027	0.5
115.03837	0.6
119.08577	1.4
121.10162	1.7
125.46031	0.7
127.03931	1.5
131.08597	1.5
133.10129	1.0
135.11723	0.8
145.04962	1.0
145.10228	0.9
149.13289	0.7
173.11821	1.4
184.07368	4.6
195.09993	0.9
243.08444	2.7
249.18942	0.7
261.47491	0.7
277.08121	0.6
413.17886	8.5
413.23044	1.0
485.19833	0.8
519.29401	8.0
691.40265	100.0
692.40466	6.7
717.41241	0.9
763.41425	2.2
781.42053	33.2
782.42480	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.7
55.05518	1.7
57.03439	2.4
59.05002	0.5
59.06124	0.5
61.02929	6.4
67.05511	5.9
69.03436	3.7
69.07063	2.3
69.69131	1.0
69.69564	1.4
71.05000	1.4
71.08666	0.5
73.02913	3.7
79.05489	3.2
81.03427	3.0
81.06622	0.7
81.07064	6.5
83.04985	0.7
83.08643	2.0
85.02906	6.2
86.09708	3.0
87.04482	0.5
89.95946	0.4
91.03939	3.2
91.05476	3.0
93.07050	2.7
95.05009	0.5
95.08607	4.6
97.02903	5.2
97.06526	0.9
97.10184	0.7
98.10686	0.5
98.98473	0.5
99.04472	1.2
101.02399	2.4
103.03951	0.5
105.07050	1.5
107.08575	1.9
109.02914	1.0
109.06557	0.5
109.10188	1.6
111.08127	0.6
113.96371	0.3
115.03918	0.5
119.08619	1.6
121.10137	2.2
123.08080	0.5
123.11719	0.9
125.00022	2.0
127.03946	1.6
129.07085	0.4
131.08582	1.2
133.10173	1.3
135.11768	0.5
145.05077	0.5
146.16382	0.5
147.11726	1.5
149.09676	1.4
155.68852	0.5
157.10179	0.8
161.13264	0.6
165.38332	0.4
175.11256	0.4
184.07344	9.2
184.08920	0.5
185.07780	1.2
193.12265	0.7
203.05374	0.6
214.17209	0.4
225.14977	0.6
243.08363	2.4
283.15201	4.0
337.27496	0.8
339.17981	1.0
347.26324	0.5
379.15488	0.5
422.75424	0.4
501.23117	9.8
519.29761	0.4
521.31055	6.8
521.38470	0.8
522.31213	0.5
619.41626	0.4
654.57300	0.4
763.45990	0.8
772.71216	0.4
781.47101	100.0
782.47473	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	781.4354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.0
55.05515	2.2
56.96566	1.8
57.03439	2.5
59.07809	0.6
61.02933	7.0
67.05501	5.7
69.03439	3.9
69.07066	1.4
71.01366	0.7
71.04992	1.4
71.61828	0.6
73.02916	4.5
74.61790	0.6
79.05503	5.8
81.03445	2.9
81.07060	5.9
83.04984	0.9
83.08646	1.1
85.02911	6.6
86.09730	3.4
87.04576	0.5
91.03961	3.8
91.05499	3.0
93.07043	5.3
95.04958	0.8
95.08595	3.5
95.16574	0.5
97.02908	6.3
97.06534	0.6
98.97634	0.8
99.04475	0.8
101.02379	2.6
103.03984	0.7
105.07063	2.2
107.08637	2.1
109.02901	1.5
109.10178	1.5
117.07077	1.0
119.08600	1.5
121.10137	2.8
123.11697	0.8
125.00043	2.0
127.03959	1.9
128.63550	0.6
131.08604	1.4
132.88853	0.5
133.10196	1.3
135.11703	1.3
139.11313	0.7
145.10152	0.6
147.11736	0.8
149.09694	0.6
149.13300	0.6
159.11661	0.6
184.07352	9.8
185.07755	1.7
243.08647	2.6
249.08113	1.0
267.09137	5.4
267.11951	1.1
285.10190	9.0
285.13226	2.3
286.10626	0.8
317.17969	0.9
324.11514	8.8
324.15030	0.7
324.61636	1.2
335.25925	1.1
382.70541	0.9
427.19141	0.7
443.19098	1.2
463.22650	3.1
463.73245	1.9
485.19681	3.4
503.21011	3.2
519.29236	6.2
522.53003	0.8
721.40533	0.8
763.42426	7.4
781.43176	100.0
782.43384	5.7
800.81647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.6
55.05505	1.9
57.03427	3.0
61.02928	6.9
67.05508	6.9
69.03426	5.0
69.07067	2.2
71.01363	1.1
71.04989	1.0
73.02921	5.7
77.03934	0.6
79.05491	5.1
81.03436	2.6
81.07064	6.4
83.05005	0.6
83.08628	0.9
85.02910	7.3
86.09712	1.8
91.03960	4.9
91.05481	4.2
93.07047	4.9
95.04976	0.6
95.08611	4.8
97.02900	6.8
97.10188	0.7
97.23220	0.4
99.04469	1.0
100.21601	0.6
101.02402	2.7
103.03971	0.8
105.07047	2.2
105.98253	0.5
107.08595	3.1
109.02890	1.4
109.10160	2.0
119.08594	2.0
121.10143	3.5
123.11769	0.6
125.00009	1.3
127.03948	2.2
131.08540	1.1
133.10156	1.5
135.11690	1.6
136.80049	0.5
145.10158	1.0
159.11780	0.9
162.41125	0.6
184.07368	3.8
185.04259	0.9
185.07809	0.6
187.59532	0.5
203.05528	0.5
243.08467	2.5
267.09164	1.4
267.12125	1.6
285.10175	2.9
285.13248	2.5
308.11868	0.6
324.11737	1.1
335.26035	1.5
396.39743	0.5
443.19553	0.7
463.22733	1.1
463.73035	0.9
483.00388	0.5
485.20157	2.2
503.21182	1.7
519.29327	8.7
721.41406	0.9
763.42511	8.2
781.43420	100.0
782.43658	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	781.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.72369	0.9
56.91821	1.0
57.03436	1.9
61.02927	5.8
67.05510	7.5
69.03420	3.2
69.07095	1.0
71.62116	1.4
73.02914	3.5
79.05508	4.3
81.03416	3.3
81.07072	5.2
83.88703	0.9
85.02907	6.1
86.09718	2.3
91.03973	4.7
91.05485	1.9
93.07048	3.9
95.08615	3.5
97.02902	4.8
99.04443	1.0
101.02409	1.6
102.04900	0.8
105.07036	1.0
107.08592	1.8
109.02896	1.4
109.10180	4.1
117.07032	0.9
119.08601	1.7
121.10151	2.1
124.99966	2.5
127.03908	1.1
131.08549	1.3
135.11646	1.0
145.10089	1.1
147.11620	0.9
149.13295	1.5
153.96620	0.8
159.11548	1.2
173.11659	1.0
184.07347	7.7
212.55070	0.8
243.08519	2.0
335.25958	0.9
360.14783	1.0
413.17966	4.3
444.57147	0.8
519.29565	10.7
691.40308	100.0
692.40765	5.0
735.42310	1.3
781.43042	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	779.4545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.1
57.03426	1.7
61.02930	4.6
67.05499	4.9
69.03420	3.5
69.07053	1.4
71.04990	4.4
71.62481	1.0
73.02917	4.5
79.05495	3.5
81.03405	1.9
81.07063	6.2
83.08629	1.2
85.02897	4.4
86.09689	1.7
91.03944	3.1
91.05482	6.2
93.07044	5.8
95.08582	2.2
97.02896	5.0
97.10171	0.9
101.02370	2.2
105.07016	3.8
107.08573	4.0
109.10167	1.3
114.76376	0.9
117.07035	1.9
119.08582	2.8
121.06577	0.9
121.10154	2.4
123.11697	1.9
125.00022	1.0
127.03938	1.4
131.08578	1.6
133.10144	3.6
135.11656	0.8
147.11734	1.3
149.13329	0.9
151.11205	1.1
159.11703	1.5
177.38148	0.7
184.07336	3.8
185.04164	1.2
207.19092	0.7
213.23688	0.8
233.02252	0.8
243.08328	2.6
257.17288	0.9
267.15781	2.3
301.08951	1.5
381.51016	1.0
395.19052	0.8
454.51532	0.9
485.23511	10.9
535.28955	6.7
557.25507	1.2
707.38007	1.1
733.41425	1.1
779.45697	100.0
780.45825	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	780.5536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.2
56.05035	1.0
58.06377	0.2
58.06626	0.4
60.08165	6.3
67.05502	0.6
69.07068	0.2
69.53185	0.3
69.53592	0.7
71.07374	3.9
79.05497	0.4
81.07058	0.8
86.09705	32.0
87.10063	0.2
89.68754	0.1
91.05478	0.2
93.07060	0.5
95.08598	0.7
98.21494	0.2
98.98466	3.7
104.10745	2.1
105.07031	0.3
107.08604	0.3
109.10155	0.2
119.08595	0.2
123.11691	0.2
125.00004	21.4
131.08517	0.2
135.11711	0.1
135.82083	0.2
143.01031	0.2
145.10167	0.1
151.07516	0.3
153.53743	0.1
161.09567	0.1
181.99969	0.1
184.07338	100.0
185.07681	0.8
293.92157	0.2
305.51660	0.2
358.08655	0.1
707.42639	0.1
780.55432	1.8
781.54950	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05511	0.7
57.03442	2.0
60.44882	0.4
61.02929	5.3
67.05508	3.3
69.03438	2.5
69.07069	0.7
69.29811	3.8
71.01355	0.6
71.05012	1.1
73.02924	3.5
79.05509	2.8
81.03413	2.1
81.07062	4.5
83.08636	0.6
85.02897	4.3
87.04455	0.5
91.03969	3.1
91.05485	2.7
93.07051	2.8
95.04977	1.0
95.08601	2.7
97.02888	3.8
97.10247	0.4
99.04463	0.9
101.02397	1.4
105.07033	1.2
107.08617	1.4
109.02882	0.9
109.10183	1.1
119.08583	0.9
121.10178	1.6
127.03924	0.8
129.07040	0.5
131.08582	0.7
133.10159	1.3
135.11729	0.6
147.11650	0.5
149.09641	0.9
155.38391	0.4
157.10141	0.6
166.89481	0.4
173.18457	0.4
175.11316	0.6
184.07312	1.2
233.11743	0.4
243.08527	1.8
246.85011	0.4
267.16193	0.7
283.15164	4.9
283.17569	0.4
335.26001	0.8
360.04553	0.5
372.62540	0.4
380.25671	0.4
501.23053	5.9
519.29248	7.2
634.60040	0.5
779.45502	100.0
780.45862	5.6
801.00702	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4335
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08173	1.5
67.05510	0.9
69.41163	2.0
69.41583	2.6
86.09702	7.2
87.10027	0.6
95.08607	0.7
98.98436	0.7
100.97269	0.5
104.10793	0.5
109.10162	0.5
123.91689	0.6
124.99994	4.2
128.04300	0.6
146.98135	0.6
162.90686	0.6
184.07346	22.1
185.07690	2.2
263.16141	0.5
497.73346	0.6
535.26392	1.3
766.09729	0.6
779.43414	100.0
780.43817	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	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.5
55.05505	1.5
57.03440	2.0
61.02930	6.4
67.05505	5.5
69.03423	3.2
69.07082	1.1
69.50994	0.5
69.51402	2.4
71.01335	0.5
71.04993	1.3
73.02921	5.2
79.05489	3.8
81.03410	2.9
81.07057	5.4
83.04945	0.5
83.08624	1.2
85.02902	5.7
87.04472	0.8
91.03960	3.7
91.05466	3.3
93.07043	4.2
95.04939	0.4
95.08620	4.3
97.02897	4.7
98.20696	0.7
99.04446	0.9
101.02393	1.9
105.07011	2.2
107.08613	2.1
107.54108	0.3
109.02913	1.2
109.10146	0.9
115.03957	0.5
117.06999	0.5
119.08601	1.6
121.10130	2.1
123.11716	0.5
127.03885	1.8
129.07076	0.3
131.08600	1.1
133.10158	1.1
135.11682	0.7
145.10260	0.4
147.11700	1.4
149.09654	0.7
157.10165	0.4
162.45667	0.4
175.11247	0.4
183.06715	0.4
184.07431	1.4
185.04221	0.7
193.12378	0.6
222.83531	0.4
225.14848	0.6
243.08376	2.4
283.15161	4.8
335.25851	0.8
354.62186	0.4
404.96808	0.4
501.23184	6.1
519.29321	9.0
779.45465	100.0
780.45740	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	779.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05518	2.0
56.51566	0.3
57.03440	2.2
61.02929	3.9
62.42733	0.3
65.03932	0.5
67.05504	4.2
69.03434	3.0
69.07075	1.8
70.21585	1.0
71.01353	0.5
71.04992	0.7
73.02916	3.2
78.12701	0.3
79.05496	4.3
81.03426	4.7
81.07060	4.7
82.30033	0.3
82.67731	0.3
83.04987	1.2
83.08633	1.0
83.95909	0.3
85.02908	5.9
85.06541	0.4
86.09725	1.3
87.04476	0.7
91.03970	2.9
91.05486	4.4
93.07047	3.5
95.05000	1.5
95.08620	1.9
97.02895	4.0
97.06529	0.8
99.04456	0.7
101.02378	1.6
105.07043	2.5
107.05000	0.5
107.08612	1.8
109.02855	0.7
109.06539	0.7
109.10197	0.6
115.03941	0.3
116.33247	0.3
117.07044	0.6
119.08591	2.2
121.10172	1.0
123.08053	0.3
123.11736	0.4
125.00013	0.9
127.03968	1.4
129.07094	0.9
131.08597	1.3
133.10185	1.4
133.55072	0.4
135.08107	0.3
135.11714	0.9
142.07835	0.3
145.10168	0.5
147.11726	1.0
149.09612	0.7
157.10126	0.7
175.11243	0.8
184.07376	3.8
185.04305	0.6
193.12291	1.1
203.05293	0.4
205.29616	0.3
207.63406	0.3
211.13332	0.4
221.11751	0.3
243.08394	2.7
248.38654	0.3
251.12750	1.0
262.23630	0.3
276.20874	0.3
307.15231	0.8
322.33078	0.4
333.20352	1.6
438.54486	0.4
439.19955	0.9
453.21097	1.1
469.20480	9.3
470.21082	0.5
551.28101	4.3
681.34454	0.7
715.57788	0.4
779.41895	100.0
780.42126	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	779.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	4.2
56.96568	3.5
56.98762	2.2
57.03428	3.0
61.02930	11.5
67.05504	10.7
69.03431	5.8
69.07058	3.6
71.04994	3.2
71.61846	3.0
71.62202	2.7
73.02917	5.3
79.05489	7.0
79.88272	1.8
81.03416	5.2
81.07053	11.2
85.02910	11.9
86.09704	3.6
91.03957	8.4
91.05492	9.4
93.07040	9.5
94.81671	2.4
95.08584	7.7
97.02888	7.8
98.63908	2.5
101.02375	3.1
105.07016	6.5
107.08585	7.1
109.10147	6.3
119.08572	6.7
121.10136	6.7
123.34232	2.3
127.03935	2.6
129.05516	4.5
133.10135	5.2
135.11662	5.5
145.10098	3.8
147.11716	2.8
149.02382	9.3
158.25243	2.3
161.13275	2.3
180.23611	2.4
184.07349	11.7
184.91011	2.0
185.04320	3.8
185.07713	2.2
187.14951	2.5
193.05028	5.6
201.03703	3.2
214.84544	2.5
221.11635	3.2
224.47490	2.4
243.08597	5.9
301.08994	8.5
315.10492	7.9
369.15216	5.0
371.16772	9.8
389.23221	2.7
425.21472	6.9
429.17496	5.1
439.19565	14.2
443.18817	3.1
443.28061	3.3
453.20850	3.1
455.18799	2.9
471.22220	5.7
471.34573	14.5
472.35022	5.6
489.28140	3.6
497.23578	9.0
499.24796	2.3
511.21487	11.5
519.29114	3.2
525.22821	5.4
545.31573	4.4
549.26849	3.1
553.29962	4.9
567.27734	7.1
579.31244	3.7
594.33691	3.9
618.01849	2.4
622.33398	20.4
626.33002	2.9
654.31830	7.8
733.41321	72.4
734.41406	4.9
761.40741	9.3
777.40271	4.0
779.41687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.4
55.05513	1.3
57.03444	2.3
61.02927	4.6
67.05511	5.0
69.03431	3.1
69.07076	2.2
71.05006	0.5
71.37423	0.8
73.02919	3.4
73.72269	0.3
79.05503	3.5
81.03416	3.3
81.07056	5.2
83.04999	1.0
83.08633	1.1
85.02910	5.9
86.09711	1.2
91.03960	2.9
91.05492	4.4
93.07056	3.5
93.22406	0.4
95.04971	1.6
95.08607	2.5
97.02883	3.5
97.06537	1.2
97.10170	0.5
99.04460	0.7
101.02390	1.5
105.07038	2.9
107.04964	0.6
107.08591	2.2
109.02901	0.7
109.06538	0.9
109.10166	1.4
111.08076	0.4
115.03957	0.4
117.07024	0.8
119.08596	2.0
121.10185	1.4
124.99921	0.5
127.03933	1.3
129.07039	0.4
131.08572	1.4
133.10089	1.9
135.11725	1.1
145.10083	0.7
147.11678	1.2
149.09584	0.5
149.13316	0.4
151.11139	0.4
157.10162	0.7
159.11664	0.6
175.11224	0.6
184.07353	3.2
185.04268	0.4
189.30788	0.4
193.12318	1.1
243.08342	2.7
245.21565	0.5
251.12640	1.2
267.68039	0.4
276.17340	0.4
333.20395	1.8
389.22849	0.5
439.19498	1.0
453.21152	1.2
469.20447	6.2
470.20956	0.5
551.28418	7.3
681.34283	0.8
779.41870	100.0
780.42163	6.5
799.74377	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	3.1
55.05502	3.5
57.03439	6.9
58.64175	2.6
61.02932	14.2
63.83987	2.7
67.05497	13.9
68.28034	2.3
69.03425	9.5
69.07074	3.2
73.02911	11.6
79.05490	6.7
81.03414	8.1
81.07072	14.0
81.07462	2.1
82.92496	2.3
83.04960	2.2
83.08619	5.2
85.02914	18.3
86.09724	6.4
88.73830	2.5
91.03944	10.9
91.05507	7.4
93.07050	7.6
95.04967	3.6
95.08610	7.4
97.02901	12.3
97.06544	3.2
98.21452	8.7
101.02382	4.6
103.03978	2.5
105.07037	5.2
107.08628	7.9
109.02812	3.2
117.07060	4.6
119.08571	6.2
121.06575	3.6
121.10110	3.9
125.00040	5.1
127.03933	8.2
129.05504	6.8
133.10135	4.7
135.11621	3.0
147.11615	3.2
149.13342	2.4
175.14700	2.5
184.07402	13.0
185.04219	12.3
189.76950	2.6
201.03787	4.0
229.41614	2.5
235.13094	3.3
243.08322	13.4
301.08914	19.5
315.10645	9.9
327.10718	4.1
343.13861	3.6
369.15430	4.9
371.16806	10.3
373.11176	13.2
377.47281	2.9
381.07312	2.8
385.18423	9.9
413.17981	4.1
425.21463	10.5
429.17264	7.7
439.19437	22.8
443.19144	4.8
453.20779	21.7
457.20334	3.9
469.20441	9.8
471.22128	3.8
481.20517	9.7
483.22153	6.7
485.19525	2.6
490.60086	2.7
497.23654	7.4
511.21780	7.5
525.23053	5.9
553.22198	3.1
553.29919	3.4
567.31555	100.0
568.31598	6.7
579.31873	3.1
581.30090	3.5
596.31091	3.2
609.29144	5.1
622.33191	13.2
625.32184	5.4
635.34302	6.1
651.33539	40.1
652.33777	3.7
693.34583	25.8
733.41272	53.7
761.40833	9.0
777.40125	10.5
779.41797	96.9
780.42017	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	778.5376
Annotation	PC(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
Peak:m/z	Relative Intensity
55.05516	0.1
56.05039	0.7
58.06632	0.4
59.07390	0.2
60.08167	5.9
62.50684	0.1
67.05515	0.1
69.33727	0.3
69.34119	1.1
70.06589	0.2
71.07376	3.7
81.07069	0.2
86.09708	28.9
87.10020	0.1
93.07069	0.2
95.08588	0.2
98.21441	0.2
98.98470	3.7
104.10748	1.7
105.07044	0.2
106.64556	0.1
120.07528	0.1
121.10189	0.1
125.00006	21.2
134.91138	0.1
135.16417	0.1
162.92186	0.1
166.02649	0.2
184.07343	100.0
185.07713	0.7
187.78951	0.1
192.16483	0.1
224.08582	0.1
238.84634	0.1
304.33743	0.1
305.34378	0.1
518.32288	0.4
595.83417	0.1
771.22260	0.2
778.54010	1.4
779.53802	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	777.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.6
55.05509	2.0
56.60783	0.5
57.03439	1.9
61.02931	6.7
67.05505	6.6
69.03439	4.3
69.07066	0.8
71.01356	0.7
73.02922	5.1
73.04431	0.4
79.05499	4.9
81.03408	2.9
81.07063	6.8
82.78561	0.5
83.04984	0.9
83.08604	0.9
85.02910	7.0
91.03954	3.2
91.05482	3.7
93.07059	5.0
95.04971	1.3
95.08604	4.6
97.02907	6.2
97.06503	0.4
99.04454	1.0
101.02370	3.0
105.07066	2.4
107.08598	2.9
109.02873	0.7
109.10176	2.7
111.04430	1.1
111.08125	0.7
117.07024	1.2
119.08598	1.9
121.06483	0.5
121.10162	2.5
125.00003	0.6
127.03923	1.4
131.08568	1.2
133.10188	0.9
135.08145	0.4
135.11711	1.7
145.10109	1.6
149.13353	0.5
159.11739	0.5
163.11217	2.3
173.09653	0.5
181.12291	0.5
184.07399	2.1
185.04128	0.6
203.05251	0.5
223.13324	0.7
232.54799	0.5
243.08380	2.7
250.93782	0.5
251.12347	0.5
258.08057	0.6
261.03409	0.5
281.13611	6.0
335.25986	0.9
346.01202	0.6
358.86597	0.5
499.21481	4.8
519.29358	8.2
750.76404	0.5
777.43958	100.0
778.44275	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	778.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	7.3
57.03435	3.7
57.07063	3.4
60.08174	7.9
67.05499	10.1
69.07080	10.0
69.12527	1.1
71.07351	4.2
71.08624	3.6
71.62053	2.2
78.94646	1.0
79.05495	4.9
81.02963	1.9
81.03417	24.4
81.07057	12.0
83.08631	10.5
86.09707	33.7
91.05487	6.0
93.07043	5.2
93.60921	1.3
95.04978	6.9
95.08607	7.6
97.06566	1.5
97.10159	4.6
98.98463	4.8
104.10747	2.0
105.07027	5.2
107.04963	1.2
107.08582	4.3
109.10146	3.0
111.08057	2.3
114.85574	1.2
119.08588	4.0
121.10152	4.6
125.00012	23.4
129.07033	3.0
131.08546	2.3
133.10190	2.0
135.11719	2.4
146.98160	1.4
147.08147	1.4
147.11658	2.6
157.10153	2.2
175.11133	1.6
184.07349	100.0
188.49756	1.0
193.12238	6.6
205.26825	1.3
208.41966	1.2
267.15921	34.4
268.16217	1.3
339.28909	30.9
531.40472	31.3
532.40558	2.0
549.41235	3.3
595.47339	1.3
778.53674	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	777.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.0
55.05508	1.6
57.03440	1.6
61.02925	5.8
64.32126	0.5
67.05513	5.5
69.03437	3.7
69.07070	1.5
70.17933	2.2
71.04998	0.9
73.02924	3.6
79.05489	4.2
79.05821	0.4
81.03413	3.1
81.07060	4.2
83.04994	1.0
85.02905	6.3
86.09735	0.7
89.06045	0.6
91.03958	2.9
91.05482	3.1
93.07059	5.0
95.05029	0.6
95.08611	3.1
97.02905	5.3
97.06557	0.7
99.04504	0.7
101.02367	2.4
105.07020	2.6
107.04937	0.9
107.08616	2.6
109.02882	1.1
109.06524	0.7
109.10175	1.6
111.04432	1.2
117.07025	1.4
119.08590	1.7
121.06525	0.6
121.10143	2.4
123.08020	0.5
125.00062	0.5
127.03979	1.2
131.08549	0.9
135.11684	1.2
138.67169	0.5
145.10155	1.8
147.11777	0.6
153.12785	0.9
160.27075	0.5
163.11232	2.5
173.09615	0.7
184.07399	1.8
185.04227	0.8
209.11780	0.6
214.50333	0.5
223.13396	1.5
241.14355	0.7
243.08496	2.0
281.13541	5.0
337.16293	1.2
338.08762	0.5
460.47592	0.6
499.21701	9.4
519.29498	6.1
704.66309	0.5
777.43921	100.0
778.44305	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	777.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.9
55.05502	1.4
57.03443	2.9
61.02926	5.1
67.05506	4.0
69.03416	3.1
69.07059	1.8
70.78307	0.9
71.01340	0.6
71.04992	1.2
73.02925	3.3
79.05499	3.8
81.03421	4.5
81.07053	4.5
83.04973	1.4
83.08606	1.7
85.02906	5.9
85.06432	0.6
86.09716	0.7
91.03945	2.9
91.05497	3.8
93.07052	3.2
93.07545	0.6
95.04983	1.9
95.08617	2.3
97.02883	4.5
101.02354	1.2
105.07027	3.7
107.04966	1.3
107.08595	1.7
109.02843	0.7
109.06544	1.2
109.07282	0.5
109.10170	1.2
111.08129	0.7
117.07034	1.0
119.08607	2.7
121.10109	1.1
127.03928	1.2
129.06989	0.8
131.08594	1.2
133.10149	2.5
145.10092	0.7
147.11720	1.3
157.10159	2.0
161.09546	0.6
175.11285	1.1
184.07399	2.9
193.12245	1.2
203.05177	0.6
211.13194	0.7
231.11617	0.6
243.08418	3.1
251.12532	1.1
307.15106	0.8
313.17783	1.3
331.18930	2.4
451.19315	0.8
459.60855	0.6
469.20508	12.9
531.25787	0.8
534.25708	0.6
541.22418	0.9
549.26678	2.6
679.32990	2.9
759.39386	11.2
777.39984	100.0
778.40173	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	777.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.9
55.05512	2.3
56.53380	0.4
57.03432	2.3
61.02930	5.5
61.75688	0.4
67.05509	5.7
69.03432	3.7
69.07077	2.4
70.13846	0.9
70.14240	1.0
71.04997	0.9
73.02920	3.3
74.55920	0.4
77.45477	0.4
78.47772	0.4
79.05498	4.2
81.03426	4.9
81.07074	3.6
83.04998	1.1
83.08627	1.8
85.02914	6.1
86.09721	1.6
91.03968	2.7
91.05484	3.9
93.07046	4.1
95.04967	2.5
95.08620	2.1
97.02893	5.4
97.06558	0.8
97.10162	1.1
98.21612	0.5
99.04477	1.1
101.02393	1.4
105.07030	2.7
107.04983	0.9
107.08622	1.8
109.02885	0.9
109.06530	0.7
109.10153	0.9
111.08141	0.5
115.05490	0.5
117.07031	1.0
119.08574	2.5
121.10170	1.3
123.08062	1.0
125.00004	1.2
125.09657	1.1
127.03934	1.7
129.07098	0.9
131.08586	1.2
132.79579	0.5
133.10162	2.0
135.11711	1.1
143.08565	0.5
145.10179	1.0
147.11737	0.8
149.02431	1.2
157.10143	0.9
159.11742	0.6
163.11189	0.8
184.07335	4.8
185.04234	1.1
189.91975	0.5
193.12282	0.9
211.13434	0.5
219.40973	0.5
223.13358	0.8
228.23247	0.8
243.08464	4.0
313.87057	0.5
331.18851	0.7
467.19043	2.1
469.20410	5.7
549.26581	3.0
551.28503	1.7
653.67340	0.5
704.11823	0.5
777.40314	100.0
778.41040	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	777.4033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.0
55.05508	1.8
56.35008	0.4
56.96574	0.8
57.03436	1.5
60.08179	0.7
61.02931	4.2
67.05507	3.8
69.03432	3.0
69.07082	2.1
69.07417	0.5
69.59889	1.1
69.60316	1.9
71.01340	0.6
71.05006	0.8
73.02913	3.5
79.05489	3.5
81.03406	2.8
81.07063	5.6
83.04963	1.0
83.08618	1.4
84.38909	0.4
85.02912	5.1
85.06544	0.4
86.09726	2.9
91.03972	3.0
91.05481	2.9
93.07053	3.3
95.05004	1.5
95.08622	2.5
97.02895	4.5
97.06557	0.9
98.20784	0.8
98.97575	1.9
99.04482	1.1
101.02411	1.5
104.10749	0.5
105.07004	2.4
105.40457	0.4
107.04986	1.1
107.08596	2.4
109.02906	1.0
109.06541	0.6
109.10175	1.1
110.35278	0.4
110.97584	0.7
111.08067	0.6
112.99143	0.8
116.88438	0.4
117.07025	0.8
119.08594	2.0
121.10162	1.1
123.08092	0.8
125.00050	1.3
127.03944	1.2
128.98648	0.9
129.06975	0.4
131.00174	1.0
131.08588	0.9
133.10168	1.9
135.08142	0.4
135.11711	1.8
145.10167	1.3
147.11717	0.8
149.01230	0.8
149.09608	0.6
149.13342	0.4
158.99692	0.8
163.11218	1.4
164.55547	0.5
167.72417	0.4
170.99684	0.8
175.11215	0.7
177.00737	0.8
184.07352	9.2
189.00780	1.1
191.93892	0.5
209.11707	0.6
243.08392	3.0
249.01807	0.4
261.02823	0.5
293.05496	0.8
321.05124	1.6
323.05453	0.5
331.18628	0.5
333.20609	0.7
365.64429	0.4
437.10107	0.6
439.19342	1.3
467.18924	6.9
469.20670	1.9
502.96997	0.4
549.26550	1.2
551.28156	3.7
679.33118	1.1
717.32770	1.3
777.40326	100.0
778.40717	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	2.1
55.05259	2.3
55.05512	42.5
57.03441	18.6
59.04999	2.6
61.02940	5.2
61.32161	1.9
62.12915	2.0
65.03940	4.2
67.05505	100.0
69.03426	3.4
69.07072	19.3
70.65220	4.2
70.65618	3.8
71.04999	4.6
73.02962	2.2
79.05045	3.8
79.05490	52.1
81.03412	6.3
81.06577	3.1
81.07058	65.2
82.07417	2.3
82.85330	1.9
83.04971	8.3
83.08611	17.6
85.02914	15.7
85.06524	3.9
86.09696	9.4
87.04453	6.0
91.05483	29.4
93.07047	50.1
95.04946	5.3
95.08608	44.1
97.02895	3.9
97.06531	5.3
97.10184	20.4
99.04537	2.2
105.07049	20.1
107.08595	26.9
109.06528	4.2
109.10153	44.6
111.04456	4.3
111.08116	4.6
117.07018	9.9
119.08578	20.9
121.10139	24.6
123.08056	5.2
123.11741	3.4
124.99979	6.0
125.09638	19.0
129.06972	3.2
131.08557	14.1
133.10141	12.2
135.07898	2.1
135.11736	13.5
137.09557	3.2
139.11206	2.5
143.08627	2.7
143.10727	3.5
145.10100	11.0
147.11705	6.9
149.09569	3.2
149.13264	6.8
153.12700	3.0
155.10635	4.0
157.10083	4.0
159.11682	6.0
161.13258	5.2
163.11147	6.0
169.87373	2.2
171.11685	3.2
173.11723	10.0
173.13210	4.9
181.12259	4.4
183.11658	3.1
184.07352	29.6
187.14769	3.1
193.12218	4.5
199.13319	8.2
209.11736	6.3
227.12764	7.0
229.14320	27.4
243.21092	3.8
259.20618	2.4
261.22186	11.7
274.80432	2.0
277.21664	2.8
283.15466	3.3
301.16409	19.2
335.25775	63.0
336.26135	3.2
451.32520	2.7
477.35599	8.5
489.35611	9.9
491.85919	2.4
543.37207	6.4
561.37769	10.4
579.38446	4.3
777.43481	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	776.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
67.05508	1.2
71.61365	0.4
73.02921	0.6
73.06562	0.5
79.05495	6.2
80.86803	0.4
81.03421	1.1
81.07053	1.2
85.88990	0.4
86.09726	0.8
87.04474	5.3
89.06037	30.6
91.05480	3.1
93.07024	1.9
95.04990	2.1
95.08608	1.1
103.05475	4.3
105.04552	1.0
105.07036	100.0
106.07343	1.0
107.07088	0.8
107.08588	0.6
109.10137	0.9
117.07019	0.4
119.04950	0.7
119.08598	0.8
121.06506	6.9
129.07016	1.0
130.08618	0.6
131.07051	1.4
131.08563	3.8
133.08607	22.4
133.10202	0.9
145.06548	0.6
147.08017	2.3
149.09627	0.7
165.07053	0.6
165.09180	1.1
166.07816	0.6
175.09698	0.8
177.11235	8.5
184.07333	2.0
193.12204	0.6
209.11707	0.5
221.13942	1.7
223.11177	0.8
225.12769	6.3
227.12953	0.5
235.13187	0.4
238.24712	0.5
251.14330	6.1
251.16705	0.7
253.15984	1.6
255.16049	0.6
265.16516	0.5
267.13617	0.4
269.15314	3.6
271.15512	0.4
287.18680	0.4
287.89407	0.4
295.16946	0.6
300.21390	0.4
313.18005	1.7
318.16556	0.4
326.76996	0.4
327.17429	0.9
329.19098	4.6
335.25699	0.7
359.20779	0.5
371.20010	0.5
373.21689	3.2
403.23340	0.5
414.67401	0.5
447.26144	2.0
463.27139	0.8
477.27808	1.2
507.29614	0.8
551.32294	5.9
552.33130	0.5
655.38269	1.5
717.37146	1.1
745.09442	0.5
776.43896	2.5
777.44043	2.2
787.78333	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.7
55.05502	3.9
56.96567	1.0
57.03443	2.8
61.02933	6.6
65.03944	1.2
65.26160	0.7
66.55135	0.6
67.05506	10.5
69.03425	5.6
69.07083	3.0
70.15311	3.1
71.01405	0.7
71.04998	1.2
73.02921	5.9
79.05493	9.3
81.03423	3.8
81.07057	10.0
82.07407	1.0
83.05000	3.0
83.08624	1.4
85.02898	6.5
91.03966	3.7
91.05487	8.0
93.07050	7.8
95.04984	3.0
95.08600	4.7
97.02897	6.4
97.06537	1.0
97.10207	0.8
99.04503	1.6
101.02420	2.4
105.07037	6.1
107.04991	1.9
107.08597	5.0
109.02914	1.2
109.06529	1.6
109.10187	2.3
117.07036	2.3
119.08585	3.4
121.06590	1.3
121.10194	1.6
123.08097	0.9
127.03955	1.8
129.06998	1.3
131.08612	2.6
133.10120	3.8
135.11728	2.0
145.10190	2.2
147.08147	0.8
147.11754	2.5
149.09697	0.9
163.11269	1.1
171.11803	2.3
184.07393	1.3
189.12698	0.7
194.80742	0.8
243.08476	4.0
247.13187	1.5
257.03217	0.8
269.17599	1.3
301.08783	0.8
313.18021	1.0
333.20560	1.2
349.38098	0.7
453.20773	0.9
465.20947	6.7
467.18997	5.0
488.89685	0.8
531.25598	1.7
549.26251	3.5
551.28302	5.0
643.18054	0.7
677.32037	1.8
757.37683	8.6
775.41302	100.0
776.41760	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	775.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.2
55.05510	2.0
57.03435	2.0
61.02933	3.8
65.03955	0.7
67.05505	7.3
69.03414	2.7
69.07081	3.5
69.89395	1.1
69.89789	1.5
71.01344	0.5
71.04996	1.1
73.02917	3.2
79.05493	8.7
81.03418	3.6
81.07062	8.3
83.04991	1.6
83.08640	1.3
85.02907	5.2
86.09731	0.7
91.03978	2.4
91.05489	6.4
93.07053	7.5
95.04996	2.4
95.08609	3.7
97.02902	4.3
97.06545	1.5
99.04427	0.9
101.02393	1.2
105.07037	4.8
105.54802	0.5
107.04941	0.7
107.08582	2.7
109.02883	1.1
109.06520	0.9
109.10162	1.7
111.08087	0.5
117.07048	1.6
119.08587	2.1
121.10152	1.8
123.08183	0.6
127.03941	1.9
129.07036	1.7
131.08604	1.2
133.10176	2.0
135.11792	1.1
143.08565	1.0
145.10165	1.5
147.11732	2.0
159.11841	0.7
161.13356	1.1
163.11302	0.7
171.11707	1.5
184.07347	2.6
185.04161	0.6
218.47235	0.5
243.08424	2.6
247.12978	1.1
333.20493	2.3
371.16779	0.6
380.07727	0.6
439.19653	0.9
453.21024	1.0
465.20944	10.6
519.32990	0.6
551.28333	5.9
552.28815	0.6
775.42365	100.0
776.42755	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	775.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	2.8
57.03440	2.3
61.02932	5.1
67.05511	9.2
69.03445	3.5
69.07063	3.8
71.05013	1.3
73.02922	3.8
79.05506	7.2
80.05869	0.7
81.03427	3.2
81.07068	8.3
83.05015	1.4
83.08649	1.1
85.02924	5.5
85.06586	0.7
91.03960	3.3
91.05485	8.4
93.07059	8.9
95.04977	3.0
95.08602	4.5
97.02892	5.1
97.06554	1.8
97.10207	0.9
98.21535	1.1
99.04453	1.4
101.02409	2.2
105.07037	5.2
107.04974	1.0
107.08604	3.5
109.06517	1.4
109.10169	1.7
111.08018	0.8
117.07005	1.9
119.08552	3.3
121.06488	0.8
121.10155	1.6
123.08102	1.0
127.03963	1.4
129.07048	0.9
131.08609	1.7
133.10146	3.8
134.10583	0.8
135.11772	1.8
143.08594	0.9
145.10135	1.6
147.11745	2.6
149.13286	1.1
157.89482	0.6
159.11743	1.2
161.09676	0.9
161.13292	0.9
163.11179	0.8
171.11758	1.2
184.07368	1.3
195.13882	0.8
243.08382	2.9
247.13231	1.5
269.17352	1.4
270.17816	0.9
302.23907	0.6
333.20624	1.2
453.21310	0.8
465.21063	8.5
549.28040	0.7
551.28394	4.6
584.39362	0.8
594.67645	0.7
734.37445	0.7
752.38000	1.4
757.38434	1.8
772.85504	0.7
775.42297	100.0
776.42456	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	775.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.9
55.05507	0.8
57.03455	2.0
59.04999	1.4
61.02661	0.8
61.02925	4.2
65.03966	1.0
67.05505	4.0
69.03429	3.8
69.07060	1.1
71.01360	0.9
71.04998	4.6
71.27554	1.3
73.02931	2.8
79.05483	3.4
81.03426	7.4
81.07062	4.9
83.04992	1.5
83.08635	2.4
84.21925	0.7
85.02922	5.7
91.03975	2.0
91.05483	5.9
93.07071	3.2
95.04996	3.2
95.08620	2.8
97.02903	4.9
97.06534	1.1
99.04479	1.7
101.02409	1.8
103.05505	0.8
105.07043	5.6
107.05000	1.1
107.08657	1.8
109.06535	0.8
111.08099	1.3
115.05479	0.9
117.07053	0.9
119.08565	3.6
121.06479	1.0
121.10188	3.3
123.08111	1.0
123.11695	0.9
127.03941	3.6
129.07033	2.0
131.08601	2.6
133.10164	3.1
137.06020	2.1
147.11761	3.2
149.09692	2.5
151.03978	1.1
151.11227	0.8
153.05464	0.8
157.10193	2.5
161.06046	1.1
161.09737	0.8
165.12764	1.1
167.07138	1.7
175.11273	1.7
178.17799	0.7
181.05107	0.7
184.07410	1.1
187.41832	0.8
191.07306	0.9
193.12332	3.1
234.73346	0.7
242.39374	0.7
243.08516	2.9
265.14276	1.6
267.16150	1.1
280.95737	0.7
283.15268	3.2
382.70187	0.8
483.22333	1.5
501.23096	12.4
515.24603	7.6
640.77124	0.9
775.40930	100.0
776.41254	4.6
778.07922	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.8
55.05512	3.0
57.03430	2.5
61.02928	5.4
67.05508	5.4
68.05871	0.7
69.03431	5.4
69.07069	3.0
69.18784	0.7
70.39776	2.6
71.01341	0.7
71.04999	1.5
73.02923	4.1
79.05493	6.0
81.03416	3.7
81.07043	5.2
83.04975	1.7
83.08633	1.3
85.02905	5.0
85.03341	0.7
86.09706	0.7
91.03989	3.2
91.05484	4.6
93.07054	6.3
95.04969	1.8
95.08616	2.6
97.02911	4.8
97.06561	1.7
97.10174	2.2
98.21407	0.7
99.04479	1.0
100.91852	0.7
101.02394	1.8
105.07047	3.2
107.04984	1.2
107.08618	2.8
109.06512	1.0
109.10199	1.2
115.03928	0.7
117.07052	1.6
119.08604	2.7
121.10170	1.9
123.08089	0.9
125.09656	1.6
127.03938	1.7
131.08580	1.5
133.10094	0.9
135.08069	1.0
135.11716	1.3
145.10159	1.9
163.11197	2.7
184.07422	2.3
218.80943	0.6
223.13335	1.1
243.08443	4.3
270.43268	0.7
281.54065	0.7
291.19568	1.7
331.18954	2.3
360.15967	0.7
387.21469	0.6
465.21176	1.2
467.18921	10.5
486.23267	0.8
549.26782	5.4
775.38794	100.0
776.39038	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	775.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.9
55.05517	4.3
56.96565	0.9
57.03429	3.4
60.91563	0.7
61.02935	6.4
65.03952	1.0
67.05508	11.4
69.03434	6.0
69.07069	6.3
70.27290	1.5
70.27682	1.7
71.01362	1.1
71.05013	1.3
73.02933	4.0
73.06619	0.8
79.05504	9.0
81.03413	5.3
81.07062	11.2
83.01367	0.8
83.04984	2.4
83.08611	2.2
85.02914	6.4
85.06556	0.9
91.03957	3.5
91.05483	8.5
93.07033	9.2
95.04975	3.5
95.08614	6.0
97.02888	6.4
97.06541	1.9
99.04471	0.8
101.02391	2.5
105.07047	6.8
107.04985	2.4
107.08610	4.5
107.09830	0.8
109.02866	1.5
109.06516	1.7
109.10160	3.0
117.07034	1.6
119.08592	4.8
119.23549	0.8
121.10176	2.2
123.08082	0.9
127.03940	1.4
131.08604	2.3
133.10123	4.3
135.11710	1.5
143.08475	0.9
145.10130	2.3
147.11757	2.2
149.09625	0.9
149.13202	1.1
151.11191	1.0
157.10228	1.1
163.11182	4.0
175.11194	0.9
184.07361	1.6
185.04355	0.7
193.12202	1.1
239.02116	1.0
243.08380	3.9
247.13185	0.9
269.17569	2.0
284.15271	0.9
299.17941	0.8
313.17746	0.9
331.18790	2.0
349.24344	0.9
451.19290	1.2
465.21033	3.4
467.18982	8.6
531.25708	1.9
539.21082	1.1
544.37201	1.4
549.26648	2.6
551.28302	3.5
560.36328	1.0
595.32587	1.2
664.82532	0.9
677.31952	3.0
706.31384	0.9
752.37866	1.0
757.37756	10.5
775.39844	100.0
776.40070	5.9
789.12469	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.6
55.05513	22.6
57.03437	19.7
67.05508	66.9
68.10602	1.4
69.03418	3.5
69.07073	16.1
71.04988	2.3
79.05061	2.2
79.05499	43.2
81.03422	88.7
81.07062	60.7
83.04979	4.9
83.08620	22.1
85.06535	2.3
91.04960	2.4
91.05486	34.0
93.07053	44.3
95.04975	29.4
95.08613	44.7
97.02888	1.6
97.06530	4.6
97.10158	6.7
105.07037	33.5
107.04955	4.4
107.07950	2.2
107.08605	29.3
109.06510	4.9
109.10154	20.5
111.04433	2.3
111.08047	8.7
115.05418	1.8
117.07003	7.6
119.08595	22.3
121.06487	4.1
121.10155	21.7
123.08042	4.1
123.11687	6.8
125.09634	4.9
129.07024	12.6
131.08574	21.1
133.06555	3.3
133.10143	14.8
135.11720	12.9
137.09647	2.1
137.13249	2.8
142.07780	4.2
143.08539	1.6
145.10126	9.2
147.08035	2.4
147.11696	11.7
149.09601	5.3
149.13242	8.9
157.10138	12.7
159.11682	6.8
161.13237	6.8
163.11180	2.4
163.14799	2.4
165.12721	1.7
173.13237	6.7
175.11201	8.6
175.14778	2.1
187.14787	4.2
189.11185	3.5
193.10605	2.3
193.12277	23.4
197.13423	1.3
227.12790	6.7
243.21071	5.3
249.14841	2.5
261.22098	21.8
267.15936	100.0
268.16187	2.4
301.25250	4.5
309.17032	1.9
317.24768	3.8
335.25815	94.6
336.26120	2.9
417.31317	1.7
421.25928	2.1
425.32941	1.6
435.27258	1.7
435.32605	3.9
453.33621	10.1
461.28787	1.8
471.34451	3.6
527.37329	61.6
545.38422	40.9
546.38556	3.4
569.38385	3.8
577.40863	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	774.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61691	1.7
55.01862	2.6
55.05519	19.7
57.03438	18.8
57.07067	2.3
65.03940	4.3
67.05508	65.8
68.97727	1.5
69.03438	2.2
69.07076	12.5
70.85751	4.1
71.04991	4.1
79.05496	49.2
80.00740	1.7
81.03423	85.3
81.07059	61.4
83.04984	5.9
83.08622	18.9
85.06546	3.5
89.05995	1.7
91.04954	2.8
91.05486	34.7
93.07054	46.8
95.04965	27.3
95.08041	2.6
95.08613	40.4
97.02875	3.0
97.06522	4.0
97.10164	8.5
105.07039	29.8
107.04955	8.0
107.08604	27.3
109.06509	6.0
109.10157	19.8
111.08083	6.4
115.05446	1.9
117.07020	6.4
119.08585	25.7
121.06498	5.7
121.10134	21.1
123.08092	2.3
123.11697	7.5
125.09625	5.4
129.06998	7.3
131.08583	21.7
133.06485	2.3
133.10139	13.5
135.11725	15.2
137.09613	2.7
137.13222	3.2
142.07794	2.5
145.10144	10.0
147.08080	2.6
147.11684	15.7
149.09630	4.7
149.13260	7.8
151.11113	1.6
157.10127	7.5
159.11713	10.0
161.13266	5.5
163.11203	2.5
163.14818	3.6
165.12794	3.1
173.13274	7.7
175.11217	8.5
175.14786	2.2
187.14874	3.4
189.11185	4.2
193.12263	23.7
211.13310	2.8
227.12801	7.7
235.13359	3.3
243.21181	8.2
249.14622	2.8
261.22128	24.6
267.15933	100.0
279.23318	2.1
301.14545	1.9
301.25293	5.8
301.69870	1.9
309.16803	3.3
317.24716	5.1
335.25809	98.6
417.26111	2.3
435.32501	5.3
453.33499	9.1
471.34592	5.6
509.35709	3.1
527.37366	58.0
528.37634	2.5
545.38385	42.5
569.37927	3.8
681.82440	2.0
748.89514	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	7.4
55.05511	35.2
57.03439	25.0
57.07066	3.1
59.04993	1.7
61.02915	5.3
65.03938	4.7
67.05505	80.6
67.05866	3.8
67.88586	1.7
69.03426	13.9
69.07074	31.9
70.73198	5.5
71.01375	2.0
71.04992	10.9
73.02897	2.8
79.05495	75.8
81.03419	80.7
81.07058	100.0
83.04977	28.1
83.08620	36.3
83.50854	1.6
85.02905	29.8
85.06546	6.3
88.11760	1.8
91.05481	75.4
92.05804	1.7
93.06458	3.5
93.07047	66.6
95.04975	43.2
95.08599	33.8
97.02906	8.5
97.06539	15.4
97.10159	10.8
98.20739	1.9
99.08076	4.7
105.04527	1.8
105.07030	52.9
107.04976	15.0
107.08595	33.1
109.06530	11.9
109.10175	11.7
111.04426	4.0
111.08089	14.5
113.06017	4.2
115.05447	5.5
117.07011	15.8
119.07764	3.4
119.08588	48.1
121.06538	9.1
121.10146	25.6
123.08048	7.2
123.11705	5.8
124.99991	2.3
125.09665	4.9
127.03909	4.6
129.07014	17.4
131.08571	30.9
133.06499	4.1
133.10130	32.5
135.08049	3.8
135.11719	14.9
137.05963	1.9
137.09619	2.7
142.07788	3.7
143.08560	3.6
145.10112	13.5
147.08066	3.4
147.11696	25.9
149.09641	16.1
149.13272	11.9
151.11206	4.1
157.10123	23.3
159.11685	14.2
161.13269	2.4
163.11150	5.5
165.12778	8.1
171.11710	3.1
173.04459	3.4
173.13254	5.1
175.11154	16.5
177.12773	5.8
183.11639	2.1
184.07320	5.4
189.11220	2.2
193.12250	54.2
194.85091	1.7
195.13797	8.0
197.13194	1.7
201.12904	1.9
211.13298	70.4
212.13583	2.3
215.14357	2.2
221.56137	1.9
227.12799	2.8
229.14296	2.1
239.17743	1.8
255.15970	14.5
257.19000	6.2
267.15927	33.8
269.17474	44.6
272.49500	1.7
273.18353	1.8
275.19992	20.8
285.16971	65.5
293.21017	1.9
349.23727	20.0
367.24762	2.4
413.22180	2.0
439.26730	2.8
443.28223	2.7
447.27390	9.5
461.28952	32.5
465.28546	20.8
479.30081	89.0
480.30057	2.4
541.34784	8.6
559.36310	20.5
568.74280	1.9
577.37097	5.8
623.34119	2.4
774.46710	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	774.4639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	12.4
55.05255	2.2
55.05513	34.2
57.03441	23.3
57.07066	2.0
57.72029	1.8
61.02918	6.1
65.03939	4.2
67.05509	85.5
69.03439	12.1
69.03744	2.0
69.07070	37.0
71.05006	10.1
71.38181	2.7
73.02926	2.4
77.03886	2.7
79.05498	80.1
81.03420	80.2
81.07059	100.0
83.04982	24.9
83.08622	32.0
85.02912	31.3
85.06538	5.9
86.09728	3.9
87.04453	2.9
88.31640	1.6
91.03937	2.1
91.05481	72.2
93.07049	77.6
95.04979	35.7
95.08610	42.3
97.02913	11.2
97.06532	22.9
97.10176	9.9
99.04474	3.7
99.08101	6.2
103.05441	2.5
105.07037	59.1
107.04969	16.1
107.07865	2.0
107.08598	35.6
109.02924	2.3
109.06530	13.5
109.10148	15.2
111.04423	2.7
111.08089	15.3
113.06026	4.3
113.09669	2.8
115.05484	2.9
117.07023	21.3
119.07771	3.2
119.08590	43.9
121.06489	8.9
121.10149	27.2
123.08056	5.3
123.11703	5.7
125.09657	5.2
127.03944	7.3
128.06255	3.4
129.05484	3.3
129.07019	19.6
131.08577	28.8
133.06499	4.7
133.10135	35.1
135.08063	8.3
135.11690	15.1
137.09618	5.0
141.06976	2.4
142.07690	4.3
143.08556	5.1
145.10144	22.2
147.08025	6.9
147.11703	27.4
149.09624	21.8
149.13252	12.9
153.86888	2.3
155.08511	3.9
157.10132	18.6
159.11667	12.5
161.09650	4.0
161.13242	5.5
163.11194	10.9
165.12769	5.6
169.10158	4.5
170.20361	1.9
171.11720	3.4
171.13750	3.1
173.04512	3.4
173.09431	1.9
173.13297	4.6
175.11198	18.3
177.12747	3.8
179.14308	3.4
181.12253	2.0
183.11703	2.9
183.28789	2.2
184.07333	7.5
185.13263	3.7
193.12244	49.6
195.13812	10.5
197.13309	3.4
199.14783	2.3
211.11284	4.1
211.13295	72.4
224.06775	1.9
227.12766	5.6
229.19449	2.8
239.18034	4.7
255.15891	14.7
257.18982	7.1
267.15936	38.4
269.17477	36.8
275.20032	35.1
285.14001	3.2
285.16992	62.4
315.90240	2.5
349.23727	31.0
367.24533	5.5
369.24466	2.1
413.21875	3.5
447.27371	8.1
454.11786	2.2
461.28979	32.4
465.28543	24.0
479.30118	81.7
480.30402	5.3
541.35211	12.1
559.36285	31.9
577.37036	6.0
623.34576	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	7.3
55.05299	2.2
55.05515	26.5
57.03175	1.8
57.03438	17.3
57.07057	3.1
61.02913	6.2
65.02159	1.4
65.03934	4.3
67.05505	96.8
69.03437	14.3
69.07067	37.9
71.01343	3.1
71.04991	9.4
71.62576	2.2
72.53700	1.6
73.02917	3.2
75.11608	1.4
77.03904	1.6
79.05051	3.1
79.05499	57.9
80.05828	1.6
81.03423	19.6
81.07059	100.0
83.04979	11.9
83.08625	17.9
85.02898	9.9
85.06533	7.9
85.94038	1.6
86.09722	2.0
91.03946	2.0
91.05482	55.0
93.07047	65.4
95.04969	15.9
95.08611	41.5
97.02887	12.7
97.06533	14.4
97.10154	7.4
99.04441	3.0
105.04520	1.8
105.07034	27.5
107.04955	7.2
107.08600	36.4
109.02850	4.5
109.06492	5.5
109.10162	25.2
111.08108	7.8
115.05415	2.1
117.07018	13.8
119.08582	19.9
121.06515	4.8
121.10154	17.0
123.08080	7.8
123.11691	5.6
124.99993	2.0
125.09631	5.5
127.03905	5.1
129.05511	8.9
129.06990	4.5
131.08569	16.4
133.06464	2.2
133.10144	23.9
133.95071	1.5
135.07982	4.8
135.11710	16.7
137.09608	9.4
141.06934	1.8
143.08623	3.3
144.70067	1.6
145.10161	8.6
147.08035	3.0
147.11702	10.5
149.09636	14.0
149.13258	18.3
151.11168	4.5
155.10616	2.2
157.10149	4.9
159.11688	14.5
161.13232	2.3
163.11176	4.8
165.12775	3.6
168.69295	2.0
171.10208	2.2
171.11650	3.5
173.04475	4.0
173.11746	5.4
173.13225	3.1
175.11105	3.0
177.12788	4.5
181.10037	2.2
184.07341	10.1
187.13268	1.8
189.11192	2.6
193.12289	3.1
195.13815	19.5
199.13298	2.4
205.12331	1.7
213.14766	1.9
227.12823	3.0
229.14342	7.3
243.15849	5.1
253.14342	3.0
254.15222	1.9
255.15944	5.8
257.18900	3.5
267.15820	5.3
269.17487	52.5
273.18518	4.3
275.20059	9.2
285.16721	3.6
291.19543	5.9
349.23825	13.4
350.23621	1.8
365.23215	4.6
373.18723	3.1
420.28461	3.0
423.27368	18.6
423.51370	2.2
437.29083	10.5
447.30896	2.7
449.28821	5.8
461.29092	3.4
463.30273	4.0
479.29861	3.1
505.16782	1.7
543.36707	17.5
559.36389	2.8
561.37390	3.8
774.39941	5.8
775.42157	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	773.52
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	31.7
57.03429	19.7
60.49890	4.1
61.02915	18.5
65.03921	8.2
67.05158	7.0
67.05505	97.0
69.03446	11.4
69.07062	28.9
69.59253	7.3
69.59657	22.1
71.04999	6.7
72.73454	4.6
73.02916	9.0
79.05499	66.6
80.28297	4.1
81.03412	7.6
81.07059	100.0
83.04979	7.4
83.08625	16.6
85.02897	10.1
85.06553	5.9
86.09710	12.9
91.03963	9.7
91.05482	72.7
93.07052	84.0
95.04979	14.6
95.08614	65.2
97.02898	14.4
97.10160	7.1
105.07032	58.8
107.08607	51.0
109.06489	4.3
109.10154	34.9
117.06991	30.7
119.08588	64.7
120.08862	5.5
121.10140	37.6
123.08144	5.6
123.11732	11.9
124.99983	6.1
128.06230	5.2
129.06993	21.0
131.08591	45.4
133.10121	44.5
135.11703	25.0
141.07016	5.5
143.08591	18.5
145.10138	41.4
147.11694	33.9
149.13289	15.4
155.08580	7.0
157.10127	17.7
159.08138	6.0
159.11713	33.3
161.13257	27.2
161.14459	4.0
163.11278	6.0
163.14819	5.9
169.10133	9.3
171.11653	13.0
173.13232	22.4
175.11171	4.8
175.14842	12.7
181.10196	7.0
183.11642	10.1
184.07326	39.4
185.13263	20.4
187.14816	14.5
197.13213	4.3
199.14850	9.1
201.16356	5.7
203.59865	4.6
209.13422	6.1
211.14873	5.4
213.16415	5.1
241.19501	28.6
257.18979	9.7
259.20596	48.3
261.22232	11.4
333.24240	30.7
333.27759	5.8
335.25851	66.4
340.54675	4.5
375.25616	6.3
377.91122	4.9
519.42255	6.3
593.45221	8.6
609.44995	7.4
611.46698	87.7
719.48022	5.4
773.43384	6.9
798.53705	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	4.2
55.05517	26.3
57.03434	16.6
57.07073	5.1
57.10647	2.2
61.02935	16.7
65.03949	6.1
67.05505	100.0
69.03427	7.4
69.07072	24.9
71.04994	4.4
73.02917	8.0
73.45618	2.1
78.55944	2.1
79.05498	80.2
79.15434	2.3
81.03401	4.3
81.07059	91.4
83.04982	7.1
83.08628	12.7
85.02901	13.3
85.06550	4.5
91.03959	4.9
91.05482	78.3
93.06458	4.2
93.07047	87.8
95.04976	11.4
95.08607	71.1
97.02888	13.4
97.06543	8.0
97.10174	5.3
98.20671	3.6
103.05461	4.6
105.07032	68.8
107.04959	3.5
107.08588	51.0
109.06523	6.1
109.10149	26.3
111.08058	4.2
115.05476	4.6
117.07006	29.7
119.08580	52.3
121.10139	34.8
123.11683	7.1
127.03939	3.1
128.06230	5.7
129.07007	15.3
131.08560	45.8
133.06465	2.6
133.10133	41.3
135.08078	3.0
135.11693	26.7
141.06998	8.6
143.08563	20.9
145.10129	39.4
147.08044	3.2
147.11691	43.4
149.09634	4.5
149.13235	12.7
150.12228	2.7
155.08531	5.5
156.09343	3.0
157.10117	19.2
159.08076	3.2
159.11688	31.1
161.13293	28.1
163.14864	4.3
167.08563	3.7
169.10184	7.4
171.11688	21.7
173.09584	2.9
173.13275	18.7
175.14845	8.7
181.10170	4.8
183.11760	7.8
184.07295	5.4
185.13269	22.5
187.14828	8.1
195.11736	5.4
196.95648	2.0
197.13293	6.4
199.14821	9.9
201.16380	3.1
207.11617	2.4
209.13350	4.2
211.14726	5.5
213.16325	5.4
215.17943	4.4
221.13130	2.5
225.16200	3.2
229.19994	2.5
231.21083	5.0
239.17827	2.8
241.19525	21.1
257.19028	8.4
259.20547	44.1
261.22171	9.9
271.20544	3.4
313.21838	2.3
315.23172	2.7
333.24188	30.2
335.25824	62.1
336.26221	3.7
337.27420	2.9
353.28342	3.3
403.15906	2.5
435.12802	2.4
489.66248	2.9
519.42200	4.8
585.40558	2.5
593.45605	7.2
609.45190	2.9
611.46753	83.7
612.46661	5.1
657.05145	2.5
701.47418	4.0
755.50800	4.5
773.51331	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	773.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31702	0.6
55.01866	1.1
55.05509	3.2
57.03441	1.7
61.02923	3.2
67.05511	4.9
69.03438	2.7
69.07068	2.3
69.27337	0.6
69.30978	2.6
69.31406	2.8
71.04990	0.9
73.02917	3.2
79.05507	5.7
81.03429	2.9
81.07059	4.8
83.04988	1.4
83.08627	1.0
85.02917	3.4
86.09695	0.7
88.33010	0.6
91.03973	1.8
91.05479	4.7
93.07057	5.1
95.04982	2.5
95.08630	2.6
97.02897	3.5
97.10184	1.7
101.02421	2.0
105.07010	4.4
107.04936	0.8
107.08633	2.6
109.02905	1.2
109.06530	0.6
109.10156	1.1
115.05476	0.6
117.07054	1.4
119.08618	2.4
121.10155	1.1
125.09645	1.8
127.03907	1.0
129.07033	1.1
131.08589	1.0
133.10168	2.0
135.08038	0.8
135.11742	0.8
145.10123	0.9
147.11714	1.9
171.11690	1.4
173.13252	0.7
184.07327	1.5
185.04269	0.8
223.13396	1.7
243.08359	2.9
247.13124	1.7
269.12180	0.8
291.19650	1.9
331.18866	1.3
347.80624	0.6
352.97726	0.6
387.21310	0.7
399.78827	0.6
465.20947	7.5
543.96576	0.6
549.26776	6.1
586.75775	0.7
631.31799	0.7
773.40845	100.0
774.41125	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	773.4083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85512	0.9
55.01880	2.0
55.05507	3.6
57.03436	2.5
61.02929	4.9
67.03738	1.0
67.05508	9.3
69.03442	4.1
69.07079	2.7
69.29318	10.5
71.04973	1.3
73.02932	4.7
79.05491	7.4
80.05867	1.1
80.70191	1.0
81.03441	3.7
81.07069	9.4
83.04984	1.7
83.08610	1.3
85.02892	4.8
91.03959	2.3
91.05476	9.2
93.07059	7.7
95.04980	3.0
95.08608	5.2
97.02890	5.1
97.06559	1.0
97.10170	0.9
98.20663	2.1
101.02399	2.7
102.56738	0.8
105.07023	6.6
107.04959	1.5
107.08624	3.3
109.06544	1.7
109.10177	2.3
117.07010	1.4
119.08602	3.9
120.76986	0.9
121.10135	2.4
125.00050	1.3
127.03970	1.4
129.07031	1.5
131.08626	1.1
133.10175	3.5
135.11644	1.1
143.08524	1.0
145.06534	1.1
145.10197	2.2
147.11707	2.0
149.13316	1.0
151.11269	1.0
161.09616	1.4
162.41089	0.9
171.11711	1.7
184.07388	4.0
193.12149	1.1
200.41359	1.0
223.61150	1.1
243.08482	2.1
247.13315	1.5
299.14944	2.0
313.17648	1.2
315.10980	1.2
331.18933	1.6
335.25858	4.1
383.19363	0.9
451.19656	1.5
465.21014	12.1
517.76154	1.0
531.25934	2.1
537.22931	1.3
549.26819	5.3
559.35938	1.1
603.88989	1.0
675.33618	2.9
704.33484	1.3
755.40009	14.2
773.40826	100.0
774.40942	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	772.5477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	0.4
56.04997	0.5
58.06610	0.6
60.08164	6.8
64.68217	0.3
64.73014	0.4
67.05489	0.8
69.07053	0.8
70.98190	0.9
71.07378	3.6
76.84507	0.4
79.05479	0.7
81.07034	0.9
86.09704	31.0
91.05461	0.6
93.07027	0.5
95.08607	0.9
98.98471	3.2
104.10730	2.5
105.07033	0.4
125.00002	20.6
184.07341	100.0
185.07657	0.8
306.27966	0.4
691.40948	0.4
754.54059	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	772.4833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	8.3
55.05288	2.6
55.05512	28.5
57.03435	19.1
57.07069	4.2
58.04803	2.4
59.05003	2.5
60.08164	1.9
61.02917	6.1
65.03941	5.9
65.47021	1.9
67.05509	70.2
69.03417	4.2
69.07069	24.7
71.01343	5.0
71.04995	10.4
71.62146	2.5
79.05495	69.0
81.03416	32.6
81.07059	68.4
83.01324	3.9
83.04976	20.0
83.08614	13.6
85.02882	11.8
85.06518	6.5
86.09696	4.3
89.06031	3.4
91.03947	3.2
91.05483	45.3
93.07045	72.0
95.04972	15.1
95.08614	52.2
97.02888	16.6
97.06541	15.1
97.10160	7.7
99.04445	3.8
105.04465	2.4
105.07037	35.3
107.04951	23.5
107.08600	36.5
109.06525	15.7
109.10167	19.5
111.04443	33.8
111.08115	6.0
113.05955	2.5
117.07011	19.2
117.39631	2.0
119.08586	32.2
121.06521	11.2
121.10146	29.3
123.08070	8.9
123.11713	4.0
124.99992	5.1
125.05948	10.4
125.09607	5.3
129.07004	7.9
130.07816	3.6
131.08562	20.7
133.10147	13.0
135.04428	2.5
135.08015	4.8
135.11685	27.9
137.09584	5.0
143.08600	3.4
145.10115	32.2
147.08026	7.1
147.11681	6.5
149.09605	3.8
149.13251	5.9
151.07542	2.3
153.01747	2.3
153.12749	12.6
155.08533	6.8
157.10130	3.5
159.11681	7.6
161.09645	2.7
163.11191	36.9
171.11696	2.2
173.09657	9.5
173.13313	4.9
181.10353	2.5
181.12254	6.7
184.07356	18.8
185.13214	3.2
187.14790	2.8
189.11252	2.3
191.10652	13.2
199.14609	2.8
209.11671	18.6
223.13257	28.8
227.12706	17.6
241.14349	52.9
241.16698	3.9
243.21127	4.8
259.20477	2.8
261.22202	10.5
265.14322	7.1
272.32498	2.3
272.35434	2.2
283.15448	23.3
297.16943	2.4
299.23718	4.3
315.18002	68.4
317.24796	5.0
333.86014	2.5
335.25815	100.0
336.26279	2.5
336.75873	2.4
389.74088	2.4
402.55942	2.6
525.35651	11.7
543.36841	73.2
544.36798	5.1
575.39441	64.6
576.39349	2.4
602.31421	2.2
610.45233	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	772.4479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	8.0
55.05513	29.9
57.03446	11.5
59.04993	1.7
61.02927	2.6
61.24699	1.2
65.03935	2.5
67.03136	1.4
67.05508	37.6
69.03439	14.3
69.07069	32.2
69.48419	10.2
71.05005	4.9
71.54451	1.2
79.05494	43.9
79.05954	2.5
81.03419	39.7
81.03893	2.1
81.07056	43.6
83.01330	1.7
83.04984	16.4
83.08622	22.0
85.02910	15.4
85.06526	2.6
91.05486	43.2
93.07050	36.2
95.04974	27.0
95.08607	19.6
97.02887	13.6
97.06546	7.8
97.10172	14.0
99.04468	2.7
102.39494	1.3
105.07028	30.1
107.04964	12.7
107.08599	22.8
109.06512	7.4
109.10151	8.4
111.04452	3.1
111.08077	6.8
113.06006	2.0
113.53990	1.5
113.68984	1.5
115.05457	2.9
117.06992	10.0
119.04892	1.7
119.08580	27.0
121.06512	6.8
121.10132	12.9
123.08076	7.5
123.11717	2.6
125.09622	8.5
128.06241	2.5
128.19885	1.4
129.07001	10.5
130.07787	1.7
131.08560	14.7
133.06505	6.8
133.10135	11.7
135.08089	4.7
135.11708	6.9
137.09610	3.5
142.07735	2.9
143.08586	3.1
145.10114	10.7
146.64207	1.3
147.08063	6.6
147.11708	13.0
149.09610	7.1
149.13249	3.2
151.11189	1.9
153.01849	2.6
155.08553	1.9
157.10091	12.3
159.08130	1.8
159.11696	4.6
161.09645	3.1
161.13332	2.1
163.11227	7.7
165.09152	2.2
165.12791	2.8
169.10153	2.0
171.11699	2.1
173.09653	1.6
175.11206	7.0
184.07309	1.5
185.09595	1.7
189.11252	4.2
191.14276	1.8
193.12244	25.5
195.13777	2.3
199.11150	1.5
205.12300	1.7
211.13300	39.0
217.12073	1.5
223.13290	17.1
227.12833	9.9
245.19016	1.8
249.14944	4.9
253.14450	2.1
257.19220	1.3
267.15906	23.1
269.17502	5.1
273.18521	12.7
275.20041	3.5
283.15399	15.6
285.16959	33.0
291.19537	100.0
347.22244	2.4
349.23676	3.6
365.23242	45.4
459.27420	1.8
463.26840	4.6
468.39749	1.3
477.28500	16.4
557.26904	2.6
557.34662	30.3
575.35760	52.5
576.36493	1.8
726.16699	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	17.0
55.05515	33.1
57.03442	19.9
57.07084	4.0
59.05003	4.2
61.02909	2.4
65.03933	2.3
67.05505	65.3
69.03428	7.8
69.07072	21.4
71.04997	7.3
71.10826	4.3
73.02912	2.3
79.05494	51.9
81.03416	32.4
81.06573	4.0
81.07056	83.1
83.01355	5.3
83.04988	22.8
83.08627	23.3
85.02917	10.8
85.06532	4.4
91.05482	55.2
93.07050	60.4
95.04963	18.2
95.08602	26.5
97.02889	7.5
97.06567	12.2
97.10162	5.6
99.04458	2.9
99.08137	2.3
103.05493	2.8
105.04534	2.1
105.07031	45.2
107.04951	12.3
107.08600	39.3
109.06518	11.4
109.10158	17.5
111.04434	4.3
111.08081	8.7
117.07043	18.0
119.05009	1.9
119.08591	28.2
121.06488	6.5
121.10155	20.4
123.08070	9.1
123.11716	4.8
125.09614	5.4
129.07025	9.2
130.07733	2.1
131.08577	18.2
133.06535	2.8
133.10132	30.9
133.74648	2.0
135.08073	7.1
135.11690	21.2
137.09659	3.9
142.07767	4.2
143.08553	5.0
145.10144	20.7
147.08099	3.3
147.11720	8.9
149.09622	12.6
149.13298	9.6
151.11179	9.2
153.01878	2.0
153.12711	3.9
155.77153	1.7
157.10120	5.6
159.08017	2.4
159.11711	10.7
161.09628	4.1
161.13274	2.5
163.11198	25.5
169.10124	2.8
169.12175	1.8
171.11734	2.3
173.09637	4.2
175.11166	4.7
175.81659	2.0
177.12796	3.3
181.12257	4.9
184.07361	5.2
193.12244	8.8
195.13802	5.0
197.13216	2.0
209.11760	6.5
211.13278	12.5
227.12759	10.4
247.20601	2.2
253.14302	13.4
255.15857	10.4
257.19040	5.3
267.15936	9.6
269.17477	32.9
273.18521	8.0
275.20059	19.0
283.15396	76.0
285.17010	11.9
291.19510	11.0
347.22211	3.8
349.23734	13.3
365.23267	8.9
367.25012	2.7
385.73459	2.3
459.27405	2.4
463.26871	25.1
477.28513	100.0
481.27826	3.8
539.33453	2.7
557.34930	18.8
575.35852	21.4
621.32080	3.1
795.68994	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	772.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	12.7
55.05521	26.7
57.03441	13.1
61.02891	3.8
65.03947	3.8
67.05508	68.5
69.03419	7.1
69.07071	24.8
70.93959	5.4
70.94320	3.5
71.04987	9.2
79.05052	3.8
79.05495	58.0
81.02966	3.6
81.03419	53.3
81.07062	74.4
82.24355	2.5
83.04980	24.4
83.08624	22.2
85.02912	17.6
85.06527	6.4
86.09702	4.4
91.05481	79.1
93.07053	48.4
95.04964	31.0
95.08604	25.1
97.02883	6.1
97.06520	10.6
97.10125	9.2
105.06367	4.3
105.07034	62.6
105.45667	2.5
107.04956	18.7
107.08592	38.2
109.02852	2.9
109.06502	10.1
109.10162	44.8
111.04472	2.6
111.08076	10.6
115.05437	6.2
117.07063	13.5
117.50945	3.0
119.04942	2.6
119.08582	36.2
121.06479	10.3
121.10156	14.9
123.08040	8.1
123.11676	7.0
125.09648	2.7
129.07036	12.1
131.08582	22.9
133.06473	5.8
133.10129	71.6
135.08038	8.9
135.11658	7.1
137.09651	4.8
142.07758	4.4
143.08586	4.0
145.10103	10.4
147.08055	9.5
147.11705	17.2
149.09622	9.9
151.11179	27.5
153.01840	5.4
157.10086	10.8
159.11740	3.9
161.09602	9.0
161.13235	3.9
163.11214	6.6
165.12782	4.1
169.12274	5.7
173.13293	3.0
175.11139	15.8
177.09096	3.6
184.07359	11.8
193.12253	39.3
211.13284	50.8
215.12885	3.3
215.47404	2.8
234.78802	3.0
245.18889	5.0
251.12697	5.0
253.14357	100.0
255.17459	3.0
267.15952	18.0
273.18460	31.6
283.15408	4.3
285.16977	36.9
291.19550	40.8
312.61050	3.3
325.71243	2.6
335.22476	2.9
347.22031	5.5
349.23877	4.3
365.23230	37.5
445.25656	3.9
463.27206	15.8
481.27905	9.0
487.29153	2.6
539.33813	4.7
543.36700	4.1
545.10681	2.5
557.34741	21.6
558.35321	3.6
575.35876	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.5043
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93494	1.2
55.01872	2.7
55.05511	12.0
57.03429	6.4
57.07077	2.6
61.02925	12.6
61.35387	1.3
61.97606	1.2
65.03936	1.7
67.05509	28.9
69.03436	9.6
69.07069	10.6
71.04989	2.1
71.62339	2.3
73.02921	9.2
73.21176	1.6
79.05501	17.2
79.80688	1.2
81.03423	5.6
81.06624	2.3
81.07059	23.2
83.04985	1.8
83.08611	5.3
85.02909	10.4
86.09701	3.2
91.03964	4.6
91.05478	17.5
91.05994	1.6
93.07046	17.7
95.04968	5.6
95.08609	24.4
97.02903	12.3
97.06523	1.9
97.10163	3.9
99.04500	1.7
101.02390	2.5
105.07040	17.8
107.04975	2.3
107.08601	14.4
109.02844	2.2
109.06522	3.5
109.10152	7.0
111.08068	1.6
117.07000	9.2
119.08585	15.1
121.10165	7.1
123.08058	2.8
123.11739	2.0
125.00004	1.9
128.06245	3.4
129.07005	10.8
131.08575	12.6
133.10126	10.4
135.11697	5.5
141.07004	4.3
142.07779	2.9
143.08560	13.8
145.10117	13.6
147.11708	6.9
149.13271	2.9
153.01859	6.7
155.08553	9.8
156.09320	1.3
157.10139	13.9
159.11723	9.2
161.13283	2.2
167.08578	5.0
168.09357	1.6
169.10155	13.0
171.11717	12.4
173.13251	6.0
175.14771	2.7
179.08562	2.4
181.10150	8.3
183.11732	12.4
184.07376	5.3
184.12335	1.2
185.13284	8.2
187.14888	3.1
193.10040	2.0
195.11661	8.8
197.13252	8.4
199.14844	5.5
201.16315	1.8
207.11639	2.4
209.13268	6.3
211.14798	6.2
213.16461	3.2
221.13353	2.9
223.14854	4.8
225.16434	4.6
227.18008	2.4
235.14908	3.1
237.16568	3.2
239.18007	2.2
251.17935	2.4
263.17899	1.7
309.22073	1.5
331.22116	1.5
334.64178	1.5
335.25919	1.7
351.26654	1.6
391.30328	1.9
405.31021	1.5
451.46213	1.3
515.37970	2.2
517.40363	7.1
527.36926	1.6
530.39240	1.6
535.41583	2.8
545.37756	2.1
591.43872	5.3
607.43298	1.6
609.45148	100.0
610.45203	5.1
735.47803	2.1
771.50513	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	771.5037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.2
55.05511	12.4
57.03438	4.6
57.07069	1.9
59.52564	0.7
59.60161	0.9
61.02929	15.8
61.89845	0.8
65.03928	1.0
67.05505	23.3
69.03432	8.1
69.07073	9.9
69.25262	5.3
69.25674	2.0
71.01377	1.7
73.02915	10.3
79.05489	14.2
81.03423	4.0
81.07056	21.0
83.04987	1.5
83.08620	6.2
85.02908	11.9
85.06516	1.1
87.04459	0.9
91.03954	6.9
91.05482	15.2
93.07047	17.1
94.81166	0.7
95.04963	2.3
95.08607	16.3
97.02894	11.0
97.06539	2.6
97.10167	3.4
99.04478	1.1
101.02380	2.0
103.05466	1.3
105.07027	13.9
107.08596	9.8
109.02901	1.0
109.06564	1.2
109.10156	7.9
111.08097	0.9
115.05471	1.4
117.07011	7.9
119.08582	12.3
119.44701	0.7
121.10142	6.9
123.11716	1.7
125.09602	0.9
127.03908	2.5
128.06227	2.5
129.06995	7.9
131.08571	11.8
133.10130	7.8
135.11682	4.1
141.06998	3.6
142.07802	2.8
143.08562	10.4
145.10133	11.1
147.11716	4.4
149.09653	1.1
149.13287	2.4
153.01845	1.1
153.06976	1.6
154.07738	1.2
155.08556	10.2
156.09369	1.0
156.23415	0.8
157.10117	10.9
159.11694	8.1
161.13269	2.7
165.07042	1.7
166.07780	0.8
167.08525	4.9
168.09328	1.8
169.10106	10.3
171.11687	8.8
173.13283	4.8
175.14848	1.5
179.08549	0.8
181.10115	6.6
182.10907	1.5
183.11684	11.0
185.13277	7.2
187.14899	2.0
192.09283	1.2
193.10162	2.7
194.10959	0.8
195.11670	6.9
196.12505	0.9
197.13277	7.2
199.14845	4.3
201.16508	1.9
205.10066	1.0
207.11772	2.8
209.13228	6.1
211.14822	5.7
213.16380	3.6
219.11765	1.5
221.13284	2.4
223.14940	4.7
225.16429	3.4
227.18051	1.3
233.13411	1.2
235.14856	2.1
237.16409	2.9
239.17992	1.0
241.19698	1.3
249.16467	1.2
251.18039	2.3
253.19572	1.0
263.17990	1.0
265.19650	1.4
267.21057	1.2
281.19345	1.0
287.23636	0.8
311.23553	0.8
315.18164	1.1
321.21805	1.0
323.23770	1.1
333.21863	0.9
335.25830	2.3
337.25165	1.1
351.23022	0.9
351.26862	1.8
363.26654	1.3
379.30408	1.3
391.30234	1.1
449.34482	1.2
493.50922	0.8
499.39740	1.0
501.35678	1.1
515.37219	1.0
517.40466	5.6
521.36395	1.1
525.35626	1.5
527.37994	1.0
535.41571	2.3
539.37292	2.3
540.38208	0.8
543.37665	0.8
573.43054	1.3
575.39581	1.0
591.44104	6.8
607.43066	2.2
609.45142	100.0
610.45270	4.1
735.48364	1.2
753.49811	1.0
771.50751	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	771.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
58.98886	0.1
63.40212	0.1
68.99778	0.1
69.03435	0.2
70.24065	0.4
79.01856	6.8
81.03421	0.4
87.00825	0.2
91.35413	0.1
91.74313	0.1
97.02901	1.3
98.20766	0.1
107.01327	1.4
109.02882	0.8
123.00792	0.3
125.01440	0.2
125.02352	3.5
125.36320	0.1
127.03928	3.7
131.04849	0.1
143.03409	7.3
153.01836	100.0
153.02878	5.7
154.02150	1.0
154.03261	0.1
159.04466	0.3
163.03851	0.1
177.05453	0.1
181.01314	0.2
183.02864	0.1
187.03929	0.2
189.05466	0.1
205.04944	0.6
215.03415	0.2
217.05025	0.2
232.64613	0.1
233.04443	1.5
233.06625	0.1
243.02647	0.2
243.30026	0.1
261.03961	1.1
279.04987	2.0
303.01288	0.1
305.02896	0.8
366.67450	0.1
449.07132	0.1
639.46698	0.1
711.23651	0.1
771.10211	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	14.3
57.03428	7.7
67.05508	47.7
69.07078	14.8
71.61279	10.5
79.05488	36.9
81.03421	36.9
81.07066	50.0
83.04984	10.5
83.08614	19.9
85.02912	14.1
91.05469	32.1
93.07033	34.0
95.04987	10.3
95.08597	33.2
105.07034	23.5
105.31101	5.5
107.08580	15.2
107.86433	5.8
108.83416	6.3
109.10152	11.8
111.08076	11.1
117.07050	9.0
119.08572	15.2
121.10152	15.1
129.07018	8.0
131.08556	15.7
133.10114	15.3
135.11720	8.4
137.13187	5.3
145.10165	7.4
147.11707	18.3
149.09666	5.9
153.01855	7.4
157.10071	8.8
171.76918	6.4
184.07314	16.5
193.12236	43.0
211.13309	57.5
211.94972	5.4
261.21985	15.2
267.13293	5.3
267.15988	20.3
285.16989	58.3
335.25830	100.0
336.25839	7.0
527.36957	20.3
545.38458	70.6
597.41479	7.3
626.74072	6.4
626.85443	5.9
771.43304	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	770.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	16.0
57.03453	7.3
62.78537	6.1
63.10298	6.7
67.05501	41.1
69.07079	7.3
70.78394	14.9
79.05490	30.9
81.03409	23.5
81.07047	30.7
83.04988	12.4
83.08627	16.6
85.02895	7.3
86.09709	7.7
89.87870	6.2
91.05481	28.1
93.07050	31.7
95.04975	13.5
95.08608	27.8
95.58320	6.4
96.93820	6.0
97.10204	6.6
105.07021	26.0
107.04958	12.1
107.08582	8.8
109.10169	8.6
109.58115	6.7
117.07094	8.5
119.08579	19.0
121.10131	10.5
129.06987	7.1
131.08601	8.8
133.10126	9.8
134.17441	6.4
135.11711	9.5
145.10062	9.2
147.11671	11.2
153.01810	14.0
184.07309	20.0
193.12227	34.2
211.13293	74.4
239.57283	7.1
261.21924	11.7
267.15915	11.6
285.16934	65.4
286.79834	6.9
335.25769	100.0
336.26135	7.6
527.37183	12.5
545.38373	62.5
770.49475	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	770.4683
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	8.9
55.05515	27.1
55.79556	2.5
57.03441	15.1
57.07067	3.8
60.90839	2.9
62.79271	2.4
65.03950	4.2
67.05508	70.2
69.03427	5.9
69.07066	28.6
69.41550	2.5
71.04998	6.7
72.08154	5.6
79.05496	95.0
81.03418	16.8
81.07060	78.8
83.04982	16.5
83.08627	13.6
85.02903	4.5
85.06544	3.9
86.09274	3.3
86.09720	38.8
91.05490	74.5
93.07053	93.5
93.71643	2.7
95.04979	21.5
95.08611	41.2
97.02906	4.7
97.06554	16.2
97.10165	7.2
103.05460	3.6
105.04504	3.0
105.06369	4.3
105.07035	58.6
107.04949	15.0
107.08593	34.9
109.06500	7.3
109.10166	13.9
111.08058	4.4
112.28622	3.0
117.07026	23.4
119.08588	33.7
120.08108	19.7
121.06499	8.8
121.10133	11.2
123.08058	6.1
125.09636	2.6
127.03908	3.6
128.06192	3.1
129.06993	16.3
131.08559	19.0
133.10168	22.9
135.08028	4.0
135.11720	12.9
143.08562	10.9
143.70622	2.5
145.10150	23.0
147.08078	4.2
147.11691	45.6
149.09608	9.3
149.13213	6.0
151.11154	3.2
153.01791	10.3
154.15858	7.1
157.10153	5.4
157.13432	4.0
159.11688	12.2
161.09668	5.2
161.13254	10.2
163.11180	10.6
169.10156	4.1
171.11710	25.7
173.04472	3.5
173.13260	3.1
177.05086	2.7
177.12711	5.2
185.13048	3.9
187.11238	3.5
188.14233	3.2
189.12729	7.7
199.18045	7.0
207.13841	27.6
213.16054	4.7
225.14957	2.8
227.12703	8.9
227.17485	3.2
229.19606	3.5
233.16576	4.6
239.17906	3.1
253.14438	5.0
255.15897	6.6
257.18951	10.2
261.16113	6.7
269.17532	18.7
275.20093	29.8
281.17459	66.0
283.15131	3.6
293.21115	3.1
298.21414	3.9
347.04041	2.7
349.23807	14.5
435.27274	4.2
461.28946	30.8
475.30649	100.0
476.30420	5.3
515.33472	3.2
537.35925	3.0
538.36279	2.8
555.36884	42.3
573.36865	3.8
619.34900	3.7
657.43066	5.4
770.51599	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	770.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	13.2
55.05509	23.9
55.84145	2.6
57.03431	13.4
61.02924	2.9
65.03930	4.8
67.05159	4.7
67.05505	78.7
69.03416	8.6
69.07071	24.6
71.04986	8.6
71.62063	3.5
72.75259	2.2
79.05049	5.1
79.05499	77.3
81.03413	18.6
81.07061	87.5
83.01313	4.7
83.04996	20.5
83.08620	13.6
85.02911	4.6
85.06536	4.8
86.09702	29.1
91.03964	2.5
91.05481	78.5
93.07050	78.9
95.04961	20.6
95.08611	37.7
97.02895	7.3
97.06525	16.3
97.10131	3.7
98.97594	3.8
99.04398	3.6
103.05432	2.4
105.04487	3.9
105.06372	4.2
105.07040	57.5
107.04964	16.3
107.08595	47.2
109.02897	3.8
109.06512	14.5
109.10152	32.6
111.08105	5.0
112.07615	2.7
113.05998	3.1
115.05478	4.0
116.98485	2.2
117.07010	14.4
119.08588	36.5
120.08088	8.6
121.06496	10.9
121.10164	19.7
123.08080	10.8
123.11713	8.5
125.44769	2.3
127.03912	3.0
128.06219	3.9
128.84456	2.4
129.07007	18.1
131.00110	2.4
131.08566	17.0
133.06491	5.0
133.10144	53.4
135.08095	7.5
135.11717	16.4
137.09636	3.2
141.06993	2.8
142.62148	2.4
143.08554	10.7
145.10153	21.2
147.08064	4.9
147.11664	26.3
149.01225	5.0
149.09628	9.5
149.13280	7.6
151.11203	24.3
153.01811	5.6
154.15904	5.4
156.03601	4.2
157.10109	4.5
159.08017	3.0
159.11650	5.9
161.09631	6.5
161.13289	9.3
163.11198	15.9
169.12207	3.8
171.11716	14.8
173.13246	5.1
177.12848	3.7
179.10683	2.7
184.07352	5.9
188.14365	2.5
189.12741	6.5
195.13879	2.7
207.13814	15.3
209.11638	4.2
211.17950	3.6
215.12794	2.4
227.12796	4.0
233.16432	3.0
239.17871	3.1
245.19014	2.9
253.14352	100.0
254.14792	3.7
255.15872	3.3
257.18967	5.1
261.15933	3.3
263.20074	2.6
269.17462	19.0
273.18475	19.4
275.20032	13.2
277.13934	4.5
281.17493	37.9
283.15356	28.4
291.19504	15.0
309.20844	2.9
311.14899	3.5
347.22278	6.8
349.23724	8.8
365.23102	16.7
461.28952	20.2
475.24002	4.8
475.30618	96.4
476.30847	3.6
479.26401	18.1
534.29883	12.2
534.79932	11.9
555.37109	16.8
573.33893	38.6
574.34857	3.1
629.43762	2.7
657.42786	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	770.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05512	23.9
57.03434	8.5
64.56216	2.0
67.05511	28.8
68.43431	2.5
69.03431	5.1
69.07064	9.2
71.04987	9.4
72.01867	1.8
75.83089	2.1
79.05498	33.4
79.45845	1.8
81.03422	66.8
81.07063	32.6
83.04974	10.7
83.08617	26.0
85.02911	10.2
91.05485	38.5
93.07043	24.6
95.04966	28.8
95.08620	14.1
97.02907	4.2
97.06525	3.3
97.10171	19.7
98.21481	4.6
101.93379	1.9
101.98273	2.1
103.05471	2.5
105.07043	18.8
107.04967	17.7
107.08595	18.4
109.02874	4.4
109.06528	6.7
109.10168	7.5
111.04447	3.4
111.08099	9.6
115.05457	3.6
117.07018	7.4
119.04946	3.7
119.08582	21.6
121.06501	11.4
121.10146	13.0
122.72906	1.9
123.08091	5.3
123.11718	2.8
124.11237	2.6
125.09641	18.1
127.03920	2.9
128.06207	2.0
129.07001	17.7
131.04927	3.7
131.08560	17.9
131.11400	2.2
133.06494	5.2
133.10132	12.0
135.08066	6.3
135.11659	2.0
137.05972	3.2
137.09645	3.1
139.11208	2.5
141.06941	2.4
143.03262	2.4
143.08565	4.1
145.06477	7.5
145.10132	7.5
147.08032	6.6
147.11682	13.6
148.43311	2.1
149.06004	2.4
149.09581	10.2
151.07539	2.3
153.01834	10.7
153.09142	2.7
157.06502	2.4
157.10165	12.1
159.08081	4.9
161.05975	5.2
161.09680	4.3
163.11136	2.7
165.97746	1.9
167.06999	2.5
167.10817	2.1
171.08014	3.3
175.11226	11.0
179.08600	2.2
184.07391	2.4
186.92473	2.4
187.14853	3.3
189.11200	4.4
193.12276	28.9
197.13374	3.0
199.11343	2.6
203.81190	2.0
211.13353	12.7
215.14140	2.5
217.12302	2.2
227.12770	7.2
231.13860	2.4
233.15421	9.3
235.13342	3.0
249.14848	3.5
255.13896	3.0
267.15921	40.8
271.16971	2.8
273.14771	6.1
285.17056	2.9
301.14432	3.1
339.23044	4.8
349.21594	5.5
357.24194	2.8
360.62582	2.5
367.22711	12.5
385.23727	27.0
403.25037	9.6
421.25800	4.5
429.21558	3.6
433.25806	4.0
441.26166	8.4
459.21088	4.4
459.27441	83.7
460.27487	2.8
477.28485	100.0
478.28647	3.9
491.29877	18.6
501.27948	2.7
504.42773	2.1
509.31238	15.4
573.30750	2.9
585.30554	4.5
603.31738	4.3
621.32324	7.2
630.56555	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	770.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	7.9
55.05512	27.8
57.03433	8.8
59.04986	2.3
61.02921	2.2
64.71667	0.7
65.03950	1.6
67.05165	1.3
67.05510	23.0
69.03431	8.4
69.07071	21.6
69.63609	5.8
71.01354	1.2
71.04990	4.3
74.92878	0.7
79.05494	30.5
81.02963	1.2
81.03417	12.3
81.07058	30.3
83.01334	6.5
83.04984	11.1
83.08616	13.3
85.02908	5.5
85.06541	2.0
86.09719	0.8
91.04972	0.8
91.05484	22.4
93.07051	26.7
95.01307	1.0
95.04974	12.5
95.08611	10.8
97.02901	8.8
97.06517	5.1
97.10178	10.1
99.04466	2.3
103.05478	1.4
105.04579	1.1
105.07030	16.5
107.04953	11.7
107.08596	16.8
109.02850	1.1
109.06531	5.7
109.10204	6.0
109.10876	1.1
111.04458	2.1
111.08089	2.2
115.05485	1.4
117.07038	10.6
119.04961	2.5
119.08596	15.2
121.06528	5.7
121.10146	11.0
123.08079	7.6
123.11713	1.4
125.06003	2.2
125.09621	7.2
128.06255	1.0
129.07016	4.2
130.07803	1.2
131.08577	6.5
133.06483	3.7
133.10121	7.0
134.07249	1.3
135.08060	3.3
135.11696	8.8
137.09630	2.0
143.08556	3.3
145.06445	1.8
145.10123	13.3
147.08066	5.8
147.11678	2.4
149.09592	2.6
149.13152	0.8
151.11177	1.1
153.01820	3.8
153.09143	0.9
153.12692	2.2
155.08537	1.4
157.10141	2.9
159.08058	1.2
159.11649	2.3
161.09624	2.6
162.10435	0.9
163.11205	16.2
165.09088	1.0
165.13022	0.9
171.10246	1.0
171.11610	1.1
173.09659	2.4
175.11191	1.4
178.56863	0.8
181.10294	0.8
181.12251	2.1
189.11214	2.9
191.10649	2.6
205.12222	1.7
209.11711	5.3
223.13293	15.8
227.12737	6.5
245.19035	1.3
249.14896	2.8
253.14326	1.9
267.15961	1.8
273.18521	12.3
275.20035	1.6
283.15405	72.1
284.15759	2.0
291.19550	100.0
292.20160	2.0
309.20572	1.6
316.08759	0.9
347.22119	2.3
365.23239	42.6
366.23367	1.4
453.24841	1.2
491.25824	1.1
493.27856	2.8
518.24060	0.9
541.34973	1.6
555.33008	2.8
573.34271	81.6
574.34552	3.8
591.35187	1.1
592.07336	0.9
608.44434	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.3
68.99802	0.2
69.03440	0.5
71.53342	0.1
79.01854	9.2
81.03414	2.7
85.02892	0.2
87.00823	0.2
95.01317	0.1
97.02898	2.2
97.03513	0.2
99.04474	0.2
103.05465	0.2
107.01315	1.8
109.02882	2.3
109.03648	0.1
111.04488	0.2
119.04974	0.1
123.00787	0.3
125.02353	4.4
127.03918	3.7
129.03410	0.1
131.04922	0.3
143.03398	9.0
147.04379	0.3
153.01830	100.0
153.02884	6.0
154.02162	1.2
154.03302	0.2
157.02859	0.2
159.04420	0.4
163.03915	0.4
171.02832	0.8
173.02402	0.3
175.03932	0.5
177.05505	0.2
185.02344	0.3
187.03897	0.9
189.05420	0.1
190.27809	0.1
191.03404	0.4
201.01842	0.8
203.03392	0.7
205.04993	0.4
207.02837	0.1
213.01857	0.7
215.03343	0.8
219.02946	0.4
229.01350	0.7
230.02037	0.1
231.02881	2.8
233.04381	1.0
237.03873	0.1
239.75258	0.1
241.01277	0.6
247.02469	0.9
257.00809	1.5
258.01474	0.2
259.02386	4.8
260.02664	0.2
261.03973	0.9
275.01831	2.1
276.02710	1.1
277.03439	15.4
278.03741	0.3
279.04993	1.3
285.00272	1.0
297.06241	0.3
303.01349	18.0
304.01703	0.6
305.02921	0.2
321.02359	0.3
328.99243	0.3
331.00778	0.4
367.04395	0.2
385.05414	0.2
411.03290	0.2
429.04330	0.5
449.07123	0.4
467.07932	0.1
568.18195	0.1
617.07648	0.2
675.45947	0.1
769.08478	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	10.4
55.05513	18.1
57.03442	10.1
57.07067	2.5
59.05002	2.1
61.02907	4.0
65.03949	2.1
67.05159	2.8
67.05505	53.0
69.03419	5.1
69.07076	19.1
70.79097	1.7
70.79424	3.2
71.01337	1.4
71.04984	4.7
79.05043	2.9
79.05493	46.9
80.06292	1.5
81.03413	13.1
81.07057	63.9
83.01336	3.9
83.04993	13.5
83.08205	1.4
83.08630	10.6
85.02908	4.4
85.06540	5.8
85.40639	1.5
86.09693	5.5
91.05482	59.0
93.07048	45.1
95.04977	13.1
95.08617	21.5
97.02900	3.6
97.06518	9.6
97.10184	3.5
99.04462	2.7
99.08047	1.7
100.01539	1.3
103.05457	3.9
105.07034	43.6
107.04972	9.0
107.08595	38.7
109.06544	9.9
109.10156	38.0
111.04409	2.3
111.08096	3.5
113.05993	3.0
117.07009	10.3
119.08598	14.7
120.08099	4.1
120.58300	1.5
121.06522	9.5
121.10155	10.7
123.08076	6.6
123.11725	7.2
125.06006	1.6
127.07571	2.5
128.06244	2.0
129.07019	6.4
131.08562	9.5
133.06444	1.9
133.10136	52.0
135.08063	6.8
135.11700	9.7
137.09618	3.2
143.08556	5.3
145.10118	13.7
147.03114	2.4
147.08046	3.0
147.11711	9.6
149.01227	1.4
149.09608	5.5
149.13269	2.9
151.11191	17.5
153.01831	6.0
154.15935	1.8
156.03671	2.2
157.10217	2.2
159.11697	4.2
161.09639	5.5
161.13278	4.0
163.11172	12.9
169.12230	4.1
171.11742	8.7
173.09628	3.5
175.11258	1.5
177.12724	1.8
179.10654	1.8
181.12259	3.4
184.07104	1.6
184.24686	1.5
188.14360	1.6
189.12759	3.7
195.10138	1.8
195.13782	1.5
207.13782	5.9
209.11694	2.4
227.12805	2.6
245.18980	3.0
251.12840	3.1
253.14366	100.0
263.19971	2.0
269.17545	6.6
273.18457	17.0
275.20099	4.5
277.14011	1.7
281.17462	13.3
283.15411	35.5
291.19556	20.3
309.20523	1.8
311.15030	1.8
347.22153	5.2
349.23709	2.5
365.23254	18.5
461.29401	7.6
475.30551	34.2
476.30667	2.1
477.24573	2.2
479.26501	18.4
534.29333	5.1
534.79596	4.1
555.37427	6.8
573.34210	43.6
574.35107	2.2
591.35321	1.6
615.77649	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	768.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.6
55.05514	18.3
57.03437	3.9
57.07076	1.6
61.02639	1.4
61.02923	2.0
65.03928	1.9
67.05165	1.7
67.05505	32.9
69.03416	5.6
69.07069	18.3
71.04966	2.1
71.61967	1.6
73.06542	1.3
79.05494	46.0
81.03425	9.0
81.07055	28.3
83.04984	7.9
83.08600	8.7
85.02863	1.7
85.06535	1.9
91.05482	37.8
93.07049	39.1
95.04964	13.1
95.08611	14.7
97.02876	8.7
97.06522	3.8
97.10184	8.6
105.04504	1.3
105.06366	2.2
105.07031	30.4
107.04943	8.2
107.08591	15.6
109.06527	5.3
109.10139	6.6
111.08089	1.6
117.07019	8.8
119.04957	2.3
119.08585	21.0
121.06470	3.9
121.10133	4.7
123.08082	3.1
124.63147	1.4
125.09625	5.8
128.06198	1.9
129.07019	9.1
131.08583	6.5
133.06531	3.3
133.08644	1.7
133.10153	8.5
135.08095	1.3
135.11678	1.6
143.08621	6.6
145.06453	1.5
145.10123	8.5
147.08014	4.6
147.11688	15.8
149.13268	2.1
153.01859	4.4
157.10104	2.5
159.11670	3.4
161.09628	3.4
161.13223	5.3
163.11267	1.7
169.10201	1.7
171.11681	13.1
175.11156	1.7
177.12772	1.5
189.11253	2.9
189.12804	4.4
205.12109	2.1
207.13791	12.3
223.13293	10.6
224.29648	1.4
227.12830	4.1
249.14862	2.9
258.52441	1.2
273.18518	11.5
281.17484	40.5
291.19559	80.4
297.88293	1.6
303.49066	1.5
347.22284	1.9
365.23257	30.6
473.28732	3.4
553.35168	3.3
571.36249	100.0
572.36511	5.4
672.73309	1.5
737.20313	1.4
768.43152	1.8
768.92175	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
55.05497	1.2
57.03423	1.7
59.05020	0.4
61.02929	5.5
67.05503	5.0
69.03432	4.1
69.07064	1.3
70.79162	0.5
71.01335	0.7
71.04987	0.5
71.23672	0.4
73.02917	4.6
79.05486	4.6
81.03425	3.7
81.07051	5.3
83.04956	1.0
83.08618	1.4
86.09713	0.7
87.04449	0.5
87.17140	0.4
91.03939	3.0
91.05482	2.7
93.07047	4.9
95.04984	1.3
95.08604	3.9
97.02900	5.4
97.06554	0.6
97.10210	0.5
98.20691	1.1
99.04453	0.8
101.02386	2.0
101.61856	0.4
103.03924	0.8
105.07031	1.5
107.08596	2.0
109.02862	1.0
109.10155	1.1
117.07028	0.4
119.08568	1.3
121.10143	2.8
123.02115	0.4
125.00006	0.8
127.03917	1.8
129.07034	0.6
131.08563	1.4
133.10121	1.3
135.11726	0.8
140.30452	0.5
147.11687	0.6
149.09616	0.9
157.10149	0.6
184.07390	2.3
185.04309	0.6
193.17859	0.4
203.05348	0.6
243.08492	2.2
251.12500	0.7
269.13632	1.9
296.46356	0.5
335.25775	0.8
379.09866	0.4
443.18796	3.0
469.20435	1.0
487.21466	4.1
519.29285	8.3
591.30396	0.6
721.41217	0.8
747.42633	2.4
765.43896	100.0
766.44177	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	765.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08147	1.0
61.02903	0.7
65.82372	0.6
67.05495	2.2
69.03414	0.9
69.07069	0.9
70.80131	1.2
70.80492	1.3
71.28176	0.7
73.02908	0.7
73.40625	0.6
73.99992	0.7
79.05479	1.3
81.03429	1.5
81.07037	2.2
86.09684	3.4
87.09956	0.7
91.03960	0.8
91.05486	0.9
93.07045	2.2
95.04925	0.7
95.08612	1.6
97.02905	1.2
97.81401	0.7
105.07027	1.0
107.08602	0.8
121.10197	0.9
125.00005	3.0
133.10109	0.8
135.07959	0.6
179.04045	0.7
184.07336	14.8
185.07755	1.5
195.00313	3.0
310.17117	0.7
472.62015	0.8
535.26782	1.3
588.46680	0.7
700.51172	0.8
716.55560	0.8
765.41876	100.0
766.41907	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	763.4601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05507	0.8
57.03440	2.2
61.02930	6.3
62.87617	0.4
67.05511	5.6
69.03441	3.6
69.07070	1.4
69.28621	3.0
69.29025	0.8
71.01370	0.6
71.04993	2.8
72.87933	0.4
73.02922	4.3
79.05502	3.5
81.03414	2.0
81.07063	6.7
83.05002	0.6
83.08646	0.9
85.02913	5.7
87.04488	0.4
87.21561	0.4
91.03956	3.6
91.05479	3.0
93.07049	3.4
95.08611	3.1
97.02900	5.6
97.06562	0.5
99.04465	1.1
100.16452	0.3
100.53312	0.4
101.02382	2.3
105.07045	1.4
107.08618	1.8
109.02898	0.8
109.10165	1.6
115.03934	0.3
117.07043	0.5
119.08604	1.2
121.10143	1.8
123.11743	0.9
127.03948	1.7
131.08632	0.5
133.10153	1.8
135.11722	0.9
145.04974	0.4
151.11253	0.7
159.11685	0.5
185.04266	0.6
203.05168	0.4
235.92096	0.4
243.08383	1.9
257.17749	0.4
267.15796	2.1
319.29727	0.4
335.25815	0.5
365.18893	0.4
409.21869	0.4
437.09045	0.4
485.23730	5.1
519.29297	8.5
520.29651	0.4
763.46033	100.0
764.46448	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	765.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
55.05510	0.6
67.05514	0.6
69.03442	3.5
70.80978	1.0
70.81327	0.4
71.04990	2.3
72.54065	0.3
73.02889	0.4
79.05492	2.2
80.15106	0.4
81.03428	4.8
81.07042	0.9
85.02911	1.5
91.05478	4.9
93.07053	3.4
95.04982	1.2
95.08620	1.0
97.02905	3.9
98.97593	0.6
99.04465	5.1
103.05487	0.9
105.07036	27.4
107.04961	0.8
107.08626	2.0
109.02878	4.9
109.06541	0.7
109.10148	0.4
111.04460	1.2
117.07027	0.6
119.05014	0.8
119.08590	2.9
121.06539	1.0
121.10143	0.8
123.08070	1.0
125.02341	0.7
127.03924	100.0
128.04286	0.8
128.06218	1.1
131.04927	0.6
131.08562	2.2
133.06517	3.2
133.10141	18.5
135.11687	0.8
137.05968	0.9
137.06921	0.4
137.09569	0.4
141.07039	0.4
143.05005	0.5
143.08574	3.3
145.06544	0.5
145.10199	1.8
146.07256	1.0
147.04427	0.7
147.08099	1.0
147.11734	0.7
149.02370	0.4
149.05975	0.8
149.09512	0.5
151.07545	1.4
159.08047	1.3
159.11673	0.4
161.09630	22.2
163.11195	5.9
167.07033	0.7
169.10120	0.4
171.08083	1.4
173.09618	0.7
175.07454	0.5
175.11432	0.4
179.10681	5.6
181.05038	0.6
183.08075	0.5
185.09605	0.7
187.07565	0.4
189.09113	7.9
190.09517	0.3
191.10744	0.4
203.10713	0.7
205.08643	0.7
207.10144	3.1
211.11162	0.5
211.13277	0.4
217.08667	0.6
221.11674	0.6
223.11191	0.5
225.07523	0.5
225.11179	0.9
231.10173	0.6
239.10594	0.4
241.12387	0.6
243.08678	0.4
249.11215	0.4
257.11841	0.7
259.13205	0.5
269.11752	1.6
285.11221	0.4
287.12711	2.2
297.11227	0.8
300.34393	0.4
303.01291	0.8
305.13974	1.4
315.12247	2.3
323.14944	3.9
333.13367	3.8
351.14407	9.6
352.14725	0.5
410.13678	0.4
477.17538	1.1
513.19733	0.4
731.67523	0.5
751.31494	0.4
765.38306	0.6
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
53.03962	1.6
55.01873	1.0
55.05521	1.4
57.03445	2.0
57.07082	0.7
60.61419	0.6
61.02921	4.7
67.05495	4.0
69.03442	3.5
69.07082	2.6
71.05016	1.2
73.02916	3.5
79.05493	5.1
81.03410	3.9
81.07068	4.4
83.08630	1.4
85.02908	7.3
86.09712	1.7
91.03994	2.3
91.05476	5.4
93.07032	4.1
95.04999	1.8
95.08643	2.5
97.02900	5.5
98.20708	1.5
99.04469	1.1
101.02404	1.7
105.07063	3.3
107.08630	2.1
109.10210	0.8
117.07008	0.7
119.08630	2.8
121.10170	1.6
125.00021	0.9
125.09704	1.0
127.03974	2.1
129.07043	0.9
131.08591	1.2
133.10184	2.1
135.11687	0.9
145.04977	0.8
147.11755	1.3
149.09694	1.0
149.13393	0.9
157.10182	1.4
184.07452	2.5
185.04192	0.7
193.12291	1.5
243.08554	2.8
301.08942	1.4
453.20987	1.6
469.20514	8.7
471.21078	0.9
535.28729	4.2
763.42377	100.0
764.43073	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	763.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
54.32462	0.4
55.01869	0.9
55.05512	1.5
56.24633	0.4
57.03444	2.3
60.08168	0.5
61.02929	4.8
61.23755	0.4
63.00532	0.4
66.91108	0.4
67.05507	4.4
69.03435	3.2
69.07070	1.6
69.76093	1.9
69.76511	0.8
71.05001	0.6
71.72167	0.4
73.02918	3.2
78.46247	0.4
79.05498	4.3
81.03423	1.9
81.07055	6.9
82.24721	0.4
83.04971	0.9
83.08618	1.3
85.02906	3.9
86.09701	1.1
91.03966	2.9
91.05478	3.1
93.07053	4.8
95.04980	1.0
95.08607	2.2
97.02898	3.9
97.06545	1.1
99.04448	1.0
101.02384	1.1
103.03939	0.4
105.07057	1.5
107.08584	3.1
109.02884	0.7
109.10126	0.7
117.07003	1.0
119.08593	0.7
121.10174	1.2
123.11741	0.6
125.00003	0.7
127.03943	1.7
131.08582	0.5
133.10109	2.4
135.11700	0.9
136.22078	0.4
147.11670	0.6
149.13283	1.5
159.11758	0.9
176.30154	0.5
183.91074	0.4
184.07350	3.9
185.04305	0.5
185.07710	0.6
195.13792	0.8
235.13094	0.6
243.08388	2.6
269.17526	0.5
291.15460	0.4
333.20526	1.8
363.70966	0.4
389.23135	0.4
439.19348	0.5
453.21109	8.5
469.20834	1.2
535.29028	0.6
551.28241	3.7
665.35175	0.8
670.54065	0.5
763.42310	100.0
764.42389	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4011
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71630	0.8
56.96573	1.1
60.08171	5.3
67.05507	1.7
70.71310	1.2
70.71645	1.8
71.07365	3.4
73.83035	0.8
81.07055	1.7
86.09710	33.2
87.10023	4.5
91.05524	0.9
93.07027	1.8
95.08571	1.0
98.98473	2.6
99.41949	0.9
104.10744	1.9
121.10195	1.4
125.00013	20.7
126.00414	1.2
131.97256	0.9
156.88943	0.9
158.07527	0.8
180.44250	1.0
184.07349	100.0
185.07692	13.7
190.68617	0.9
202.07816	0.9
220.63051	1.0
267.09122	2.1
277.01074	1.0
285.10168	1.9
713.45898	5.0
740.61475	1.1
745.41565	1.3
763.40485	96.8
764.40887	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	763.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70841	0.6
55.05502	0.9
58.84202	0.7
60.08172	3.7
61.02923	0.9
67.05502	2.2
69.03431	0.8
69.07074	0.7
69.78127	3.8
71.07369	2.4
73.02908	0.7
76.65813	0.6
79.05515	1.1
81.03428	1.0
81.07058	2.2
85.02921	0.8
86.09708	15.4
87.10052	1.7
91.03983	0.9
91.05466	1.0
93.07053	1.7
95.08604	1.2
97.02901	1.0
98.98479	2.2
104.10781	1.1
105.07018	0.9
109.10193	0.8
115.03944	0.8
125.00011	8.7
184.07349	48.9
185.07719	7.9
194.85741	0.7
224.84259	0.8
260.31506	0.6
261.45697	0.6
263.28970	0.7
267.09143	1.3
309.09790	0.8
317.18021	1.0
381.63980	0.7
519.29449	1.9
535.27063	1.2
568.06531	0.7
710.58905	1.0
713.45874	2.7
745.41541	2.2
763.40588	100.0
764.40997	5.9
771.26538	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05033	0.6
57.03440	0.2
58.06361	0.1
58.06614	0.4
59.07392	0.1
59.68772	0.1
60.08163	6.2
61.02911	0.1
67.05515	0.7
68.25882	0.1
69.03414	0.2
69.07069	0.3
70.06599	0.2
71.07375	3.4
79.05481	0.5
80.30556	0.1
81.03416	0.5
81.07050	0.8
83.08620	0.3
85.02895	0.2
86.09705	30.5
91.05487	0.4
92.05801	0.1
93.07038	0.4
95.08620	0.5
97.02913	0.3
98.98470	3.6
104.10120	0.2
104.10751	1.9
105.03367	0.3
105.07050	0.3
107.08612	0.2
109.10203	0.2
119.08549	0.3
121.10184	0.2
125.00002	20.3
131.08527	0.1
133.10184	0.2
135.11620	0.1
143.01108	0.1
145.10127	0.1
147.11615	0.2
184.07338	100.0
185.07721	0.7
201.06042	0.1
256.26276	0.2
267.15878	0.4
276.66183	0.1
337.27490	0.2
401.49283	0.1
444.66257	0.1
496.48395	0.1
529.38580	0.3
547.39618	0.1
681.95691	0.2
712.45496	4.8
713.44843	0.2
762.38861	0.5
763.41663	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01874	0.6
55.05502	2.2
57.03430	1.8
61.02927	4.9
62.44791	0.4
63.90980	0.4
65.03969	0.4
67.05504	5.3
69.03428	3.1
69.04209	0.5
69.07072	2.6
70.16346	1.2
70.16718	0.7
71.01324	0.4
71.04979	0.8
73.02915	3.4
73.16925	0.4
79.05490	4.4
81.03428	2.5
81.07056	6.5
83.05002	1.0
83.08610	1.3
85.02898	4.2
85.06538	0.5
86.09692	0.9
87.04457	0.7
91.03963	2.7
91.05474	3.0
93.07038	4.3
95.04951	1.0
95.08607	2.6
97.02895	4.7
97.03445	0.7
97.06534	0.7
97.10175	1.3
98.20717	0.5
99.04484	1.2
101.02393	1.8
105.07025	2.1
107.08591	3.4
108.08868	0.5
109.06508	0.4
109.10170	1.1
111.08082	0.5
115.03921	0.9
117.06972	0.6
119.08609	1.5
121.06522	0.9
121.10152	1.3
123.11760	0.6
125.09642	1.5
127.03941	1.3
131.08563	1.1
133.10138	2.0
135.11700	1.3
137.62823	0.4
145.10120	0.9
146.10416	0.4
147.08148	0.5
149.13307	1.4
159.11671	0.8
163.11168	0.5
184.07324	2.3
185.04218	0.7
195.13849	1.0
223.13341	1.1
235.13060	1.1
243.08342	3.4
247.19879	0.4
269.17453	0.9
291.16263	0.5
291.19632	1.1
331.18909	1.4
369.71576	0.4
387.21497	0.5
453.20978	10.2
549.26740	5.0
761.40753	100.0
762.41479	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	762.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
56.05038	0.8
58.06616	0.5
60.08167	6.3
61.02911	0.2
67.05499	0.8
69.03452	0.3
69.07091	0.3
69.26712	0.6
69.27135	1.2
70.06592	0.4
71.07379	3.2
73.02930	0.3
79.05488	0.5
81.03420	0.5
81.07055	1.0
81.66618	0.2
81.87583	0.2
83.08599	0.3
85.02882	0.3
86.09709	29.7
91.03976	0.3
91.05459	0.4
93.07037	0.7
95.08601	0.5
97.02877	0.3
98.98479	3.4
104.10762	2.0
105.03382	0.3
105.07033	0.3
107.08595	0.5
109.10192	0.3
119.08572	0.4
121.10154	0.4
123.11829	0.2
125.00011	20.6
133.10107	0.2
149.00891	0.2
162.19560	0.2
184.07347	100.0
185.07668	0.7
207.14020	0.2
256.26285	0.2
282.14066	0.2
289.81265	0.2
346.86279	0.2
450.22293	0.2
519.29865	0.3
529.39441	0.2
712.45551	4.7
745.40991	0.2
762.41058	3.7
763.42194	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	761.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05502	1.2
57.03425	1.5
61.02932	4.3
65.03963	0.4
67.05497	2.6
69.03431	2.8
69.07078	2.4
70.06110	0.8
70.06499	0.9
71.01341	0.7
71.04993	0.6
71.07391	0.4
73.02920	2.7
74.68894	0.4
79.05496	3.7
81.03414	4.2
81.07058	3.9
83.04976	1.0
83.08623	1.4
85.02909	5.9
86.09705	0.7
88.21569	0.3
91.03962	2.0
91.05486	4.6
93.07047	2.6
95.01337	0.4
95.04977	1.7
95.08608	2.6
97.02896	4.1
97.06515	0.9
98.33051	0.3
99.04465	0.6
101.02383	1.3
105.07043	3.9
107.04971	1.5
107.08588	1.4
109.02907	0.9
109.06512	0.5
109.10157	0.6
111.04498	0.5
111.08102	0.4
117.07049	0.6
119.08582	2.4
121.10178	1.1
127.03938	1.0
129.06963	0.8
131.08595	1.5
133.06448	0.4
133.07425	0.4
133.10130	2.2
135.08145	0.4
135.11696	1.0
145.04868	0.5
145.10144	1.2
147.11703	1.3
149.09636	1.0
157.10147	1.3
161.13342	0.6
161.42564	0.4
166.94746	0.4
175.11217	0.8
184.07390	1.6
185.04269	0.7
193.12294	1.1
211.13203	0.4
215.14410	0.5
243.08456	2.8
251.12666	0.6
307.15067	0.4
315.19302	4.6
338.83896	0.4
371.21936	0.8
469.20514	9.4
533.27301	4.9
761.40808	100.0
762.41138	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	761.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.9
55.05510	3.2
57.03437	1.7
60.08170	0.6
61.02940	3.5
64.03976	0.5
67.05502	5.9
67.93328	0.6
69.03436	3.6
69.07075	3.0
70.73187	1.7
73.02914	2.9
79.05506	3.8
81.03431	1.7
81.07062	6.8
83.04999	1.0
83.08629	2.1
85.02911	4.4
86.09702	4.6
87.04448	0.6
91.03976	1.9
91.05492	2.3
93.07052	4.9
95.04999	0.9
95.08611	2.4
97.02888	4.7
97.06554	0.9
97.10195	1.3
99.04485	1.0
101.02386	2.2
105.07053	2.2
107.04967	0.6
107.08604	3.5
109.02924	0.7
109.10183	1.2
111.08146	0.7
117.07055	1.4
119.08633	1.6
121.10169	2.3
125.00023	2.6
127.03954	0.9
131.08591	1.1
133.10150	1.3
135.11754	1.0
143.08632	0.7
145.10168	0.7
149.13286	2.1
159.11702	1.2
184.07364	10.4
185.07753	1.4
223.13322	1.0
229.77560	0.6
235.13065	1.0
243.08438	3.1
269.17548	0.8
279.16354	0.6
291.19632	0.7
331.18826	2.6
344.64270	0.6
387.21457	0.6
453.21088	10.5
549.27118	3.3
756.61597	0.6
761.40771	100.0
762.41046	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	761.3871
Annotation	Unknow
Peak:m/z	Relative Intensity
60.31054	1.1
64.81757	1.0
67.05498	3.1
71.07348	0.9
74.02354	1.2
76.93112	1.0
79.05482	2.8
81.07064	2.2
83.08631	1.2
86.09707	4.2
91.05486	1.3
93.07030	2.0
95.08614	3.3
105.07028	1.4
107.08588	1.1
109.10110	1.2
116.54435	1.0
121.10165	1.1
146.98195	1.4
151.07693	1.3
184.07346	1.2
193.00839	1.1
230.54739	1.0
249.84702	1.2
260.58820	1.2
472.78177	1.1
483.16260	1.7
529.03473	1.1
535.27008	1.4
577.40918	2.8
578.41260	4.3
701.40125	1.8
702.40289	6.2
761.38629	100.0
762.38708	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01862	1.1
55.05515	0.6
57.03428	1.8
59.05008	1.4
61.02934	5.1
61.63436	0.6
67.05503	2.8
69.03423	2.6
69.07078	0.7
69.44501	4.5
71.05000	2.2
73.02905	3.0
79.05498	3.4
81.03416	6.4
81.07060	3.4
83.04975	0.6
83.08621	1.4
85.02895	4.4
85.06538	0.8
85.17059	0.6
87.04424	0.7
91.03971	2.3
91.05492	4.4
93.07050	2.5
95.04974	2.3
97.02893	4.1
97.06504	1.0
99.04436	1.4
101.02394	1.5
105.07034	3.0
107.04996	1.4
107.08596	1.8
109.02917	0.7
109.06590	0.6
111.08044	0.8
119.08594	2.5
121.06505	0.7
121.10150	3.2
127.03910	1.2
129.07033	0.7
131.08589	2.3
133.10155	1.6
137.06021	0.6
147.08054	0.9
147.11740	2.3
149.09587	3.5
157.10135	1.8
167.04153	0.6
167.07056	0.7
175.11166	1.4
193.12244	3.0
197.15443	1.0
225.14920	1.8
233.11429	0.6
243.08450	3.0
253.14041	0.9
257.09094	0.6
267.15952	2.2
283.15149	7.5
339.17914	2.2
360.05249	0.6
469.20673	1.2
501.23108	28.3
761.39301	100.0
762.40070	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	761.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	1.6
55.54697	1.3
67.05502	3.0
69.07072	2.1
69.26652	7.8
69.27078	4.8
79.05473	1.8
81.07055	5.1
86.09662	1.5
91.05470	1.6
93.07039	2.5
95.08626	1.5
105.07012	2.5
109.10165	1.7
119.08653	1.5
126.47186	1.4
131.08566	1.5
167.89883	1.4
184.04050	1.1
184.07364	5.4
358.28528	1.4
524.22607	1.6
758.83130	1.3
761.38666	100.0
762.38794	5.6
764.39020	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.2
55.01874	1.1
55.05511	9.3
56.05035	0.9
57.03440	7.0
57.07062	1.0
60.08165	7.1
61.02923	1.8
65.03937	1.4
66.21337	0.9
67.05162	1.6
67.05508	28.3
69.07074	8.4
69.93209	4.9
71.05010	0.9
71.07365	2.7
79.05051	1.3
79.05494	21.1
81.03423	36.7
81.07062	28.7
83.04974	2.4
83.08621	9.7
83.63168	1.0
85.02898	2.3
85.06528	1.8
86.09711	29.3
91.05485	17.1
93.07047	23.9
93.78029	0.9
95.04973	14.1
95.08614	18.2
97.02901	1.7
97.06555	3.2
97.10167	3.8
97.64623	0.9
98.20728	1.6
98.98457	3.8
99.08063	1.3
103.22243	0.9
104.10727	1.8
105.07027	10.6
107.04955	2.8
107.08595	12.3
109.06541	1.3
109.10172	8.8
111.04449	1.3
111.08083	3.6
114.28779	1.1
117.07008	4.1
119.08581	11.7
121.06467	1.6
121.10153	11.0
123.04310	1.1
123.08088	1.6
123.11720	3.6
125.00011	18.1
125.09648	2.5
128.06258	1.0
129.07010	5.5
131.08560	10.4
133.06500	1.4
133.10139	6.6
135.11700	6.5
137.09647	1.0
137.13293	1.3
139.11169	1.2
141.69794	1.0
145.10127	3.9
147.08073	1.9
147.11702	6.8
149.06021	1.1
149.09630	3.0
149.13257	3.7
152.18069	1.0
155.08621	1.0
157.10104	4.9
159.07945	0.9
159.11737	3.5
161.13211	3.1
163.11148	1.5
163.14825	1.2
173.13240	3.3
175.11253	2.6
184.07344	100.0
185.07768	1.3
187.14809	1.6
189.11227	2.1
193.12242	9.4
201.16415	1.1
227.12843	2.1
243.21124	2.1
249.14864	1.2
259.20709	1.2
261.22095	9.4
267.15927	38.6
301.25189	2.0
317.24683	1.2
335.25800	39.6
421.25958	1.6
435.32523	1.2
453.33508	3.7
471.34549	2.2
482.71439	0.9
527.37317	24.0
528.37354	1.3
545.38483	18.0
563.39630	1.1
569.38306	1.8
710.43732	4.9
711.43396	1.3
761.40900	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	760.4832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
53.43628	0.7
55.05510	6.5
57.03439	6.1
60.08163	6.5
61.02918	1.6
65.03928	1.7
67.05164	1.3
67.05511	20.5
69.03427	2.6
69.07054	5.0
71.05006	1.2
71.07365	2.9
79.05502	15.7
81.03423	25.4
81.07061	21.6
83.04970	2.5
83.08620	6.8
85.02898	2.2
85.06577	1.2
86.09708	32.0
89.06043	6.2
91.03942	1.1
91.05481	14.0
93.07049	15.2
95.04978	9.1
95.08614	14.5
97.02887	2.3
97.06514	1.9
97.10158	2.3
98.98461	3.1
103.05434	1.1
104.10738	2.2
105.07036	23.4
107.04949	2.8
107.08598	10.6
109.06521	1.6
109.10156	5.6
111.08076	2.6
115.05428	0.9
117.07029	3.5
119.08589	8.5
121.06499	3.3
121.10159	7.4
123.11721	2.3
125.00010	21.6
125.09666	2.0
129.06995	3.9
131.08589	6.7
133.08614	4.3
133.10120	5.9
134.10559	0.8
135.11697	4.1
137.09650	0.9
142.07742	1.0
143.08580	1.0
145.10098	3.8
147.08078	4.9
147.11707	5.0
149.09610	2.4
149.13260	2.8
155.08641	0.7
157.10147	2.3
159.10439	0.8
159.11687	3.0
161.13254	2.0
163.14821	1.2
171.11639	0.9
173.13188	2.0
175.11166	2.8
175.14865	1.0
177.11200	1.8
184.07350	100.0
185.13158	0.9
187.14726	0.9
189.11102	1.0
193.12218	6.6
219.27963	0.7
225.12761	2.4
227.12779	2.2
243.20953	1.3
251.14421	0.8
261.22208	4.9
267.15930	27.1
268.16092	1.0
269.25296	0.8
301.25327	1.0
302.95840	0.7
317.24579	0.9
335.25793	23.7
336.26044	1.6
435.32635	1.9
453.33600	2.6
465.20996	1.1
466.21396	0.9
471.34320	1.7
509.35922	0.8
518.47534	0.9
527.37347	16.6
536.28168	0.8
545.38428	14.0
563.39233	1.1
710.43787	5.0
760.30304	1.3
760.43231	22.3
761.41199	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	759.429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01864	1.0
55.05513	2.8
57.03434	2.6
60.08150	0.7
61.02929	4.8
67.05507	9.5
69.03432	3.2
69.07068	3.2
71.01350	0.7
71.04987	0.6
73.02916	3.2
79.05499	10.5
80.05840	0.6
81.03427	4.4
81.07062	9.1
83.04974	1.9
83.08620	1.5
85.02904	5.4
86.09715	4.2
87.04439	0.6
91.03960	2.9
91.05481	7.9
93.07050	11.0
95.04977	2.4
95.08611	6.1
97.02899	3.9
97.10170	0.7
99.04462	1.0
101.02389	1.9
105.04513	0.6
105.07034	7.3
107.08604	4.5
109.02946	0.5
109.06499	0.6
109.10140	2.4
111.04421	0.5
111.08091	0.5
117.07040	2.2
119.08576	4.5
121.10138	3.2
123.08106	1.1
124.72350	0.5
125.00027	2.7
126.91494	0.6
127.03949	1.1
129.07043	1.8
131.08549	2.4
133.06462	0.8
133.10155	3.2
135.11722	1.8
143.08609	1.3
145.10162	2.0
147.08087	0.8
147.11696	3.1
149.13260	0.9
149.95494	0.5
155.08553	0.7
157.10193	1.2
159.11676	0.8
161.13338	1.4
163.11145	0.7
171.11690	1.2
177.13011	0.5
184.07339	13.2
185.04185	0.8
189.12733	0.6
189.40092	0.5
191.10753	0.7
209.11714	0.5
219.43144	0.5
243.08362	3.6
247.13124	1.4
261.22253	0.9
267.15988	2.9
283.15628	0.9
284.15793	0.6
301.09174	0.9
301.16586	0.8
315.10724	0.8
335.25653	3.4
336.26205	0.9
380.23544	0.5
465.21017	9.4
481.21164	0.7
495.22433	0.9
527.37573	1.2
535.28809	6.2
537.23456	1.2
544.37634	1.0
545.38458	0.5
562.38007	1.2
696.45398	0.5
759.42908	100.0
760.43427	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	759.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05512	2.7
55.83214	0.5
57.03447	2.9
60.08170	1.0
61.02677	0.6
61.02934	6.4
65.03931	0.7
66.50102	0.4
67.05171	0.6
67.05511	8.8
68.05833	0.6
69.03439	4.0
69.07070	2.1
69.22841	0.5
69.25422	1.2
69.25829	4.5
71.01363	0.9
71.05018	1.2
71.07397	0.5
72.55842	0.5
73.02918	4.8
75.09010	0.5
75.51553	0.5
79.05492	7.0
81.03426	2.1
81.07058	10.8
82.07385	1.0
83.04980	0.7
83.08624	1.1
85.02921	6.4
86.09716	3.4
87.04461	0.7
91.03982	3.8
91.05478	5.1
93.07050	7.1
94.07375	0.4
95.04976	2.2
95.08620	5.7
96.08976	0.6
97.02913	4.9
97.06543	0.8
97.10245	0.5
98.98495	0.6
99.04478	1.3
101.02375	1.9
102.62716	0.5
105.07051	2.9
107.08601	4.0
109.02893	0.8
109.06529	0.6
109.10171	3.1
117.07043	1.0
119.08594	2.4
121.10170	2.5
123.11734	1.3
125.00007	2.9
127.03944	1.3
131.08607	1.8
133.10146	1.5
135.08102	0.7
135.11700	1.2
137.85207	0.5
145.05008	0.4
145.10179	1.1
148.78633	0.5
149.13269	1.2
159.11751	1.2
161.13060	0.5
184.07353	12.8
184.31029	0.6
185.07729	1.1
203.05298	0.7
219.50513	0.5
243.08498	1.8
335.25995	1.8
336.26212	1.0
407.28662	0.6
424.63763	0.5
481.20334	3.6
501.27243	0.5
503.37445	2.4
504.37469	3.9
519.29346	9.4
530.39221	0.8
561.41675	0.8
562.41864	3.9
691.39447	0.6
759.42932	100.0
760.43127	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	759.3928
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03944	1.6
55.05524	2.6
57.03422	2.1
57.03691	0.5
61.02932	4.8
64.20699	0.6
67.05518	5.2
67.46798	0.5
69.03429	3.7
69.07078	4.1
71.04996	0.7
71.61315	0.7
73.02924	3.3
76.01752	0.5
79.05500	6.0
81.03428	3.9
81.07058	7.1
83.04982	2.6
83.08636	1.2
85.02921	4.9
86.09697	1.1
87.26723	0.5
91.03975	1.6
91.05466	7.4
93.07045	7.6
95.01323	1.1
95.04986	2.4
95.08607	6.8
97.02891	5.1
97.06541	1.3
99.04438	1.2
101.02375	2.2
105.07029	8.4
107.04958	2.3
107.08595	5.9
109.02872	1.0
109.06522	1.5
109.10168	2.0
111.04461	0.7
111.08099	1.3
117.07011	2.7
119.08590	8.0
121.06540	0.9
121.10150	3.7
123.08073	3.1
125.00018	1.0
125.05944	0.6
127.03901	1.9
129.07043	1.1
130.07826	0.6
131.08592	3.9
133.06471	0.7
133.10144	5.9
135.08037	1.4
135.11705	3.4
137.09602	1.1
141.06975	1.0
142.07722	0.8
143.08568	2.1
145.10127	7.5
147.08046	1.9
147.11758	1.2
149.09598	1.2
151.07535	3.3
155.08549	1.2
156.09390	0.7
157.10124	3.6
159.11736	3.2
161.09590	0.9
161.13304	0.8
163.11183	3.5
165.09146	1.6
167.08644	0.7
169.10162	1.7
171.08029	0.5
171.11726	2.5
173.09633	0.9
173.13278	1.6
175.11215	0.9
175.14886	1.7
179.14301	0.9
181.10129	0.8
181.12279	1.1
182.10896	0.7
183.11777	1.8
184.07333	3.2
185.04211	0.6
185.13295	1.2
187.11070	0.6
187.14839	1.0
189.12732	1.1
195.11746	1.1
197.13274	1.8
199.14812	0.7
201.16444	1.2
203.14375	0.9
207.13872	1.4
209.13356	1.1
209.15111	0.6
211.14899	1.2
219.17528	0.5
221.15405	2.4
235.14853	0.7
243.08473	2.5
257.19339	0.6
259.20358	0.9
275.20169	0.6
315.19324	4.0
371.21985	0.7
464.30618	0.8
467.18964	11.0
487.22736	0.6
501.21075	0.6
504.36285	1.5
533.27399	6.1
759.39148	100.0
760.39569	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	758.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.1
55.01878	1.2
55.05518	16.4
57.03440	5.2
57.07059	3.5
60.86930	0.8
61.02907	3.1
65.03928	2.7
67.05510	73.8
68.05809	1.0
68.72857	0.7
69.03424	3.0
69.06766	1.0
69.07071	13.4
70.34193	2.2
70.50294	0.9
71.04639	1.2
71.05000	21.1
75.32249	0.8
79.05500	40.3
81.03411	1.5
81.07063	100.0
83.04976	3.7
83.08634	9.0
85.02888	2.9
85.06546	9.0
86.09702	2.9
91.03963	1.1
91.05486	29.0
93.07051	43.5
95.04964	3.7
95.08613	28.1
97.02879	2.4
97.06533	5.4
97.10161	2.7
99.08087	1.8
105.04482	1.0
105.07041	16.9
107.08601	22.3
109.06502	2.2
109.10159	14.6
111.08068	1.1
117.07032	6.5
119.08595	7.3
121.10160	16.5
123.11725	14.3
125.00012	1.4
131.08572	8.2
133.10144	19.8
135.11705	9.7
145.10132	4.2
147.11659	3.2
149.13304	5.1
149.78152	0.9
151.11197	7.4
153.12794	1.0
159.11688	7.5
161.13258	2.9
173.13237	2.9
177.12758	1.9
183.13838	2.8
184.07338	8.2
185.13245	0.9
187.13264	4.2
187.14786	1.8
195.13782	1.2
227.16345	1.9
257.17444	2.3
259.20566	1.1
261.22168	3.9
269.17438	6.9
301.20096	20.0
335.25824	29.1
392.19806	0.9
411.32440	2.1
485.36179	3.8
503.37347	94.4
504.37802	4.2
517.39032	5.2
529.38898	15.9
561.41559	90.7
562.41724	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	758.4688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.1
55.01880	9.2
55.05513	31.8
57.03434	15.4
60.08158	9.3
65.03944	4.7
67.05516	60.3
69.03428	8.7
69.07077	26.0
70.99226	5.3
70.99583	9.2
71.04983	8.1
75.00390	4.3
79.05498	69.9
81.03426	43.1
81.07067	74.5
83.04976	15.9
83.08619	26.6
85.02902	18.5
85.06522	5.5
86.09715	47.2
91.04954	6.4
91.05494	84.7
93.07050	83.9
95.04985	24.3
95.08614	38.3
97.02905	6.8
97.06516	8.6
97.10179	10.7
103.05440	4.7
105.07034	76.3
107.04968	7.5
107.08608	46.1
109.10146	15.0
110.09651	5.7
111.08095	10.9
115.45367	4.6
117.07051	17.4
119.08591	42.0
121.06549	6.5
121.10160	25.3
123.04272	4.1
123.11761	8.8
125.00017	33.9
125.09654	10.2
129.07001	16.4
131.08559	31.2
133.10133	44.6
135.08072	7.2
135.11681	16.7
137.09572	5.1
143.08568	12.7
145.10164	18.5
147.11699	38.4
149.09666	5.8
149.13268	14.9
153.38263	4.6
156.93187	4.7
157.10110	17.1
159.11691	16.3
161.13245	21.2
169.10121	6.1
171.11691	8.5
173.13269	12.0
175.11191	14.7
175.14841	5.7
184.07352	100.0
185.13301	9.7
193.12279	27.3
195.13768	6.5
211.13261	39.1
227.12708	10.5
241.19557	22.6
259.20618	46.7
267.15958	13.3
269.17462	32.0
275.20288	9.1
285.16888	46.1
291.79587	5.1
315.23303	5.6
333.24304	44.1
349.23669	10.9
433.30661	6.3
451.32135	8.2
525.35620	21.4
543.37000	82.6
684.18268	5.5
759.38098	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	758.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
54.59979	1.4
54.92937	1.5
55.01879	7.6
55.05511	29.4
57.03173	2.0
57.03436	19.4
57.07067	4.8
61.02918	6.0
65.03943	3.0
67.05505	78.6
69.03428	2.3
69.07068	22.5
71.04984	4.5
79.05492	63.4
81.03413	14.7
81.07058	71.4
83.01353	2.8
83.04984	17.5
83.08622	10.5
85.02892	10.0
85.06544	3.4
86.09715	11.6
91.05476	41.1
93.07043	73.0
95.04981	11.1
95.08605	51.8
97.02898	10.3
97.06523	9.5
97.10181	5.8
97.86493	1.5
98.21469	4.7
98.61203	1.5
99.04465	4.6
103.05465	1.9
105.04559	1.8
105.07029	26.3
107.04956	14.3
107.08591	38.2
109.02869	3.7
109.06519	6.6
109.10158	26.0
111.04432	14.3
111.08097	4.4
111.11730	1.5
115.05508	1.5
117.07021	18.0
119.08585	24.9
121.06538	3.7
121.10143	27.0
123.04427	1.9
123.08058	2.7
123.11707	5.9
124.99994	9.5
125.06076	1.7
125.09618	4.2
127.22241	1.5
129.07008	3.1
131.04985	1.9
131.08575	20.7
131.85861	1.5
133.10136	17.5
135.08070	3.5
135.11679	28.4
136.11932	1.6
137.09622	4.0
143.08586	2.7
145.06520	2.7
145.10126	24.3
147.08087	3.3
147.11725	6.5
149.09605	2.7
149.13280	5.5
151.11176	1.6
153.12755	7.9
155.08600	2.6
157.10127	2.1
159.11691	7.0
161.09627	2.1
161.13274	6.1
163.11198	23.2
163.14870	3.5
165.52660	1.4
169.10153	1.9
171.11707	1.9
173.09630	5.3
173.13287	6.9
181.12216	7.4
183.11609	1.3
184.07349	36.7
185.13281	3.3
185.17026	1.3
187.14859	1.8
191.10632	8.4
191.14375	1.6
195.63112	1.4
199.14706	1.9
209.11732	34.8
227.12756	15.5
243.21181	4.5
253.14365	3.0
255.15950	1.7
259.20529	2.4
261.22122	20.2
262.22559	1.5
265.14426	2.7
267.15860	2.1
273.22147	1.9
283.15421	68.9
284.15948	1.5
285.17355	1.8
299.23956	2.3
301.16461	40.8
315.23145	2.0
317.24710	3.3
333.24390	3.1
335.25815	100.0
336.26141	3.5
379.43115	1.8
433.30975	5.3
451.31982	10.8
469.33157	8.9
487.34384	2.2
507.35431	2.2
525.35791	12.4
543.36798	78.7
544.36963	3.6
561.37799	38.0
672.94409	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.03444	0.3
55.05496	0.5
56.05026	0.4
57.03438	0.2
67.05486	0.6
68.05048	0.2
69.03435	0.9
69.07044	0.2
70.06581	0.3
71.04988	0.2
79.05486	0.7
80.05027	0.2
81.03401	0.7
81.05799	0.3
81.07040	0.4
82.06581	3.5
83.07378	0.2
85.02928	0.2
91.05476	0.5
93.07021	0.3
96.08127	2.6
97.08919	6.5
105.30716	0.2
107.08588	0.4
108.08144	0.2
109.02883	0.4
110.09685	100.0
111.10023	1.3
115.41252	0.2
124.11237	21.2
125.12017	35.7
126.12917	0.9
127.03901	0.3
140.10703	0.3
152.10716	0.4
153.01849	1.2
153.02939	0.3
187.03995	0.2
191.03436	0.3
203.03374	1.1
204.03777	0.6
213.01811	0.2
219.02817	0.2
224.06502	0.2
231.02921	0.5
233.92839	0.2
241.93591	0.2
247.02428	0.5
256.48914	0.2
259.02448	0.8
275.01910	0.6
276.02362	0.2
277.03412	1.9
278.03796	0.5
293.03009	0.3
294.13507	0.3
300.99863	0.2
303.01376	1.7
304.01770	0.5
315.05103	0.3
327.05219	0.2
341.02960	0.3
359.68689	0.2
380.07666	0.9
397.08371	0.4
400.14032	0.9
426.11819	3.2
444.12784	0.5
588.17078	5.1
589.16565	0.2
758.06110	0.3
758.19385	5.9
758.33051	0.4
759.19830	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
53.21754	0.4
55.05510	1.3
57.03434	2.1
57.07086	2.3
58.92665	0.4
60.08147	0.6
61.02932	4.8
63.73916	0.4
64.75182	0.4
67.05506	4.3
69.03432	2.6
69.07075	1.0
71.00528	0.8
71.00883	0.5
71.01359	0.7
71.04996	1.3
71.08633	2.4
73.02923	3.1
79.05502	1.8
81.03416	2.8
81.07063	4.4
83.04991	0.7
83.08634	1.4
83.34670	0.4
85.02913	5.3
85.10204	1.2
86.09712	4.4
87.04478	0.8
87.10053	0.6
91.03964	3.2
91.05498	1.7
93.07043	2.3
95.04984	1.2
95.08615	2.9
97.02892	4.6
97.06554	0.8
97.10189	0.5
99.04446	0.6
101.02394	1.6
105.07056	1.9
107.04999	0.6
107.08604	0.7
109.02828	1.1
109.10195	1.4
117.07034	0.5
119.08590	1.5
121.10163	1.6
123.08060	0.4
123.11729	0.5
125.00030	3.0
127.03921	1.3
129.05591	0.5
131.08601	0.9
133.10173	0.6
135.11699	0.4
145.10100	0.6
147.11754	1.1
149.09694	1.2
157.10164	0.6
178.82309	0.5
182.07762	0.5
184.07347	14.7
185.04268	0.9
185.07713	1.0
193.12273	0.9
203.05243	0.6
243.08476	2.7
267.15933	0.7
283.15152	3.1
313.27362	0.9
339.17688	0.5
369.16010	0.5
479.23074	1.0
497.30792	5.2
501.23148	9.5
503.37323	0.8
519.29181	0.7
521.60474	0.4
549.09943	0.5
671.32605	0.4
748.75836	0.5
757.46936	100.0
758.46930	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	757.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01878	0.7
55.05506	2.0
57.03437	1.5
61.02925	4.1
63.93252	0.3
65.03944	0.4
67.05505	5.0
69.03439	2.6
69.07068	3.7
69.93660	1.6
71.01330	0.4
71.04993	0.6
73.02911	2.9
79.05499	5.9
81.03424	2.3
81.07055	6.2
83.04991	1.2
83.08622	1.3
85.02909	3.9
86.09719	1.8
87.04478	0.6
91.03968	2.1
91.05485	6.3
93.07042	5.2
95.01313	0.6
95.04991	1.9
95.08608	4.6
95.16309	0.4
97.02881	3.3
97.06540	0.9
97.10176	0.8
98.21384	0.5
99.04484	0.7
101.02377	1.8
105.07035	5.2
107.04976	1.6
107.08604	2.2
107.52083	0.3
109.02882	0.7
109.06552	0.7
109.10161	1.8
117.07042	1.6
119.08582	3.7
121.06507	0.6
121.10178	1.2
125.00034	1.3
127.03962	0.9
129.07040	1.2
131.08611	1.6
133.10112	2.4
135.08090	0.4
135.11732	0.8
143.08583	1.0
145.10184	1.3
147.11665	2.1
149.09647	1.1
149.13330	0.4
159.11777	0.9
161.13272	1.1
163.11227	0.7
165.08919	0.3
171.11765	1.6
173.09679	0.4
179.14296	0.9
184.07333	5.6
185.04225	0.6
207.13876	0.5
217.59615	0.5
243.08498	3.1
244.36723	0.4
247.13138	0.9
275.20108	0.7
281.17447	0.5
315.19315	3.7
335.26047	1.0
371.21945	0.9
465.20917	10.2
494.38297	0.4
533.27234	8.0
560.37024	0.6
634.84180	0.5
757.41333	100.0
758.41718	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	756.4531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.1
53.45989	1.4
55.01879	12.1
55.05517	17.9
57.03430	6.2
61.02933	1.7
61.76289	1.6
65.03927	3.4
67.05508	36.9
69.03424	2.3
69.07072	27.0
69.93849	6.6
70.56483	1.2
71.04999	2.6
73.02888	1.6
75.31651	1.3
79.05495	33.0
81.03419	26.1
81.07057	51.1
83.04994	11.3
83.08628	11.8
85.02912	12.1
86.09716	4.4
91.05483	56.6
93.07052	32.1
95.01338	8.6
95.04977	18.3
95.08607	22.2
97.02876	2.7
97.06535	22.1
97.10166	4.2
98.21506	1.7
103.05463	2.0
105.07033	70.0
107.04952	18.4
107.08591	13.0
109.06527	5.7
109.10145	9.5
111.08083	6.8
113.06034	2.9
115.05498	3.2
117.07030	9.4
119.08578	36.8
121.06532	3.6
121.10130	10.4
123.04409	2.1
123.08089	4.2
123.11755	2.2
125.09682	2.7
129.07010	7.1
131.08580	21.5
133.06537	3.7
133.10133	36.2
133.11060	2.9
135.08044	3.2
135.11700	3.7
136.63805	1.5
137.09587	2.4
139.07558	1.8
143.08566	3.5
145.10141	15.9
147.08014	1.8
147.11694	14.1
149.09625	8.9
149.13281	2.2
151.11226	2.1
157.10110	9.0
159.11693	9.7
161.09575	1.5
161.13284	3.5
163.11200	6.3
165.09167	1.7
165.12770	1.9
171.11705	3.1
172.35483	1.7
173.13263	2.4
175.11220	5.6
179.14359	10.3
184.07341	5.0
187.11133	4.3
193.12242	13.9
197.13225	1.7
211.13289	18.2
219.17426	3.1
239.17886	3.1
247.20505	1.9
257.19055	4.3
267.15955	15.5
275.20071	76.3
276.20444	2.0
279.15891	1.9
285.16956	30.5
293.21097	4.3
311.08426	1.6
349.23740	40.0
350.24033	1.8
352.46054	1.4
541.35303	54.1
559.36328	100.0
560.36591	6.9
577.36810	1.9
649.38995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01874	6.1
55.05516	21.6
57.03440	8.7
59.39534	1.0
61.02913	3.1
65.03931	2.6
67.05508	46.7
69.03423	7.1
69.06710	1.6
69.07072	30.1
71.04985	4.3
77.96478	0.9
78.70882	0.9
79.05495	36.9
81.03416	5.9
81.07060	58.2
83.04986	6.2
83.08627	13.2
85.02901	3.6
85.06540	3.5
86.09713	4.9
89.06030	2.6
91.05484	28.2
93.07050	46.4
95.04964	9.7
95.08609	17.5
97.02895	7.4
97.06529	7.4
97.10164	10.8
102.86907	0.9
103.05531	0.9
105.07025	20.0
107.04957	5.4
107.08599	25.8
109.06516	3.5
109.10150	12.1
111.08087	4.3
113.05937	1.1
117.07021	10.7
119.04983	1.5
119.08586	11.0
121.06518	3.2
121.10168	10.6
123.08067	2.6
123.11709	3.0
125.00007	3.6
125.09643	7.1
128.06262	1.1
129.07001	2.3
131.08571	12.7
133.06499	3.5
133.08655	1.2
133.10138	15.6
134.07310	1.2
135.08043	4.9
135.11684	5.7
137.09682	1.5
143.08583	1.9
144.28941	1.0
145.10104	5.2
147.08051	4.1
147.11674	3.0
149.09647	3.0
149.13268	11.2
151.11209	3.7
155.40929	1.0
157.10138	2.6
159.08130	1.1
159.11676	6.8
161.09613	3.5
161.13242	1.2
163.11215	2.0
171.11687	1.1
175.11189	2.7
177.11354	1.1
177.12778	3.3
184.07379	14.0
189.11203	4.0
189.12798	1.1
193.12247	1.1
195.13809	10.5
205.12250	1.2
223.13277	13.3
227.12793	4.1
235.27612	1.1
245.19217	1.5
249.14862	1.5
251.16396	1.4
253.14355	10.2
255.17453	1.6
267.16043	1.4
269.17499	58.1
270.18069	1.0
273.18506	13.3
283.15442	3.1
291.19540	80.1
292.19882	2.0
295.17276	1.1
347.22131	3.5
365.23230	38.5
366.23624	1.4
461.28995	2.1
465.28415	3.1
471.29263	1.1
479.30026	2.6
541.34955	4.6
559.36310	100.0
560.36633	3.2
673.85583	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01868	4.9
55.05513	21.5
57.03449	7.7
57.07078	1.8
60.08167	3.2
63.59330	1.4
65.03944	3.1
66.14040	1.3
67.05504	43.8
69.03439	7.5
69.07071	30.0
69.55464	3.3
69.55868	7.6
71.05000	3.9
79.05502	31.3
81.03418	5.3
81.07060	49.7
83.04987	6.6
83.08608	14.2
85.02939	1.8
85.06552	2.5
86.09710	12.1
91.05479	26.0
93.07045	39.0
95.04971	9.7
95.08608	16.5
97.02902	7.1
97.06521	6.1
97.10175	10.5
98.98453	2.2
99.04424	1.7
99.08098	1.9
104.10739	1.5
105.07028	14.6
107.04963	4.5
107.08604	21.3
109.06514	3.7
109.10150	8.5
111.08081	5.2
116.06239	1.8
117.07031	7.8
119.08585	10.6
121.06530	3.5
121.10116	15.7
123.08056	4.1
125.00008	8.5
125.09653	6.4
129.07043	2.3
131.08574	10.4
131.13661	1.2
133.06487	2.4
133.10170	9.8
135.08070	3.4
135.11633	6.8
136.90756	1.3
137.09601	1.7
140.64706	1.2
143.08609	2.1
145.10144	4.8
147.08061	5.1
147.11705	2.3
149.09665	2.4
149.13274	15.8
151.11172	1.9
157.10155	2.6
159.11723	9.6
161.09563	1.9
169.12169	2.0
171.11748	1.8
175.11258	2.1
177.12782	3.8
184.07344	38.9
189.11227	2.9
195.13834	8.2
223.13295	13.6
227.12823	4.6
245.18942	1.9
249.14746	2.9
253.14394	2.3
253.88107	1.5
255.20845	1.4
269.17487	52.7
270.17865	2.1
273.18472	12.9
291.19556	91.2
292.19611	2.0
298.52750	1.3
347.22260	1.8
365.23193	36.3
366.23145	1.7
407.39429	1.7
439.27127	1.6
461.28931	2.2
479.29898	2.8
541.35187	3.7
559.36328	100.0
560.36511	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	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.6
55.01868	3.3
55.05516	15.3
55.07381	0.8
57.03444	7.2
57.13263	0.8
65.03932	1.3
67.05505	16.5
68.10025	0.8
69.03422	2.6
69.07058	3.8
71.04986	2.7
71.05348	0.8
79.05047	1.3
79.05493	21.7
81.03422	43.6
81.03900	2.3
81.07064	15.6
83.04990	4.4
83.08621	13.7
85.06552	0.9
91.05490	14.0
93.07047	14.8
95.04974	19.7
95.08611	7.6
97.02905	2.0
97.06541	2.2
97.10169	15.3
105.07034	12.5
107.04964	14.7
107.08604	11.3
109.02834	0.8
109.06517	7.6
109.10153	5.9
111.04436	0.9
111.08070	5.2
115.05415	1.0
117.07008	5.8
119.04928	0.9
119.08590	12.5
121.06495	9.3
121.10126	8.4
123.04405	1.6
123.08071	4.5
125.05969	1.5
125.09631	11.0
129.07036	7.4
131.04984	1.5
131.08580	9.1
133.06496	3.6
133.10115	3.3
135.08069	4.8
135.11690	1.7
136.61401	0.8
137.09590	1.5
141.06982	2.0
142.07761	1.6
143.08568	3.4
145.06502	6.4
145.10138	3.7
146.58324	0.9
147.04323	1.2
147.08078	4.0
147.11684	6.5
149.09625	5.9
153.09096	3.7
155.08546	2.3
157.06552	2.5
157.10107	5.4
159.08089	1.5
159.11691	1.9
161.09618	2.6
163.11206	4.2
165.12732	1.1
167.10692	1.8
169.10101	1.2
171.08031	1.4
171.10269	1.2
171.11700	2.4
173.09642	2.6
173.13287	2.1
175.11205	6.3
177.12787	1.4
185.09657	1.4
185.13222	1.6
187.11183	1.5
189.11223	5.3
189.12740	1.7
193.12259	14.2
197.09593	1.1
197.13438	1.3
199.11209	1.3
199.13249	1.0
203.14348	1.0
205.12302	1.1
211.13144	1.2
213.12717	1.1
215.14340	2.6
219.13834	2.8
223.13330	1.2
225.12787	1.4
227.12555	1.7
227.14558	1.3
233.15390	4.1
235.13326	1.4
237.12770	1.6
239.14323	1.0
245.15395	1.1
249.14926	1.3
255.13829	2.5
259.13248	1.5
267.15912	37.7
273.14859	7.0
273.17377	1.2
287.16431	1.2
293.17389	1.4
317.70642	0.9
339.23151	2.1
349.21613	5.6
351.43613	1.0
357.24197	1.7
367.22672	16.1
385.23734	24.4
386.24075	1.1
403.24841	9.7
405.24252	1.2
441.26373	9.8
459.27448	100.0
460.27753	5.6
477.28503	89.4
478.28696	3.7
491.30075	12.3
501.28497	2.9
509.31073	6.0
541.33673	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	11.2
55.05515	25.2
57.03423	12.5
57.07100	5.5
60.20267	4.0
67.05170	5.7
67.05509	78.7
69.07065	21.2
70.20830	15.4
71.04979	5.2
79.05497	100.0
81.03403	11.6
81.07059	71.1
82.92824	3.6
83.04980	13.1
83.08608	14.1
86.09686	6.5
91.05479	96.9
93.07047	90.9
95.04982	20.8
95.08607	41.0
97.06509	9.9
105.07029	80.9
107.04939	11.9
107.08596	35.5
109.06511	13.9
109.10132	10.6
117.07022	18.4
119.08569	58.3
119.67078	3.7
121.10146	24.6
123.08090	9.8
128.06274	3.8
129.07007	19.7
131.08562	28.5
133.10144	49.1
135.11696	15.8
143.08595	17.4
145.10139	27.0
147.11688	72.1
149.09645	5.1
149.13252	8.9
157.10167	14.5
159.11687	13.1
161.09633	6.2
161.13261	32.4
171.11690	30.6
173.13237	9.0
175.14821	10.4
179.87486	3.4
184.07327	20.6
185.13248	9.2
189.12820	8.4
190.24484	3.5
195.13707	4.5
197.13182	3.6
199.14796	6.8
203.59055	3.7
207.13806	20.9
230.71375	3.4
231.21144	4.6
241.19495	23.9
257.19040	4.2
259.20587	63.9
279.15848	18.8
281.17435	67.0
315.23209	9.0
333.24249	45.1
447.32324	10.2
465.33850	6.4
521.36359	3.9
539.37378	73.6
557.38544	22.1
686.42792	4.6
724.90302	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.5097
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07341	8.7
57.44151	8.8
63.36492	8.6
67.05489	37.1
69.07063	14.8
69.38740	53.9
69.39143	19.5
73.24894	8.1
79.05499	15.6
81.07052	34.3
86.09715	9.5
91.05476	16.9
92.80280	8.7
93.07022	31.7
95.08615	23.3
99.08089	10.2
105.07043	9.4
107.08588	12.0
109.10131	13.7
121.10139	14.0
135.11736	12.1
149.13248	31.9
159.11777	10.4
177.90936	8.4
184.07335	21.0
195.13853	10.3
261.22083	9.0
269.17465	100.0
335.25845	56.6
529.38910	64.6
578.62238	9.8
650.04468	10.1
653.81274	12.6
673.73535	11.5
683.95258	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	754.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.2
55.01870	4.1
55.05254	2.3
55.05514	34.0
57.03442	17.0
57.07071	3.3
61.02931	7.3
65.03930	4.8
67.05508	100.0
69.03429	7.9
69.07075	23.7
69.34696	8.4
69.35115	3.9
69.70735	1.5
71.04995	5.3
73.02930	2.5
77.03934	1.5
79.05497	65.4
81.03426	13.2
81.07061	86.8
83.04987	8.7
83.08624	16.2
85.02908	9.0
85.06548	4.0
86.09716	8.0
91.05485	41.9
93.07050	71.0
94.07388	1.8
95.04973	23.2
95.08613	50.5
97.02892	5.3
97.06521	5.3
97.10174	17.2
99.04502	2.2
99.08100	3.1
103.05489	2.1
105.04496	3.1
105.07039	28.0
107.04955	9.9
107.08601	32.9
109.02846	1.7
109.06509	4.4
109.10163	29.9
111.08083	5.1
115.05472	2.2
117.07018	20.7
119.08585	19.5
121.06499	7.6
121.10149	23.7
123.08060	3.0
123.11714	8.0
125.00033	5.6
125.09643	13.5
128.06290	1.3
129.07008	3.5
131.08586	21.7
133.10129	14.2
135.08046	3.7
135.11693	17.3
137.09612	2.3
137.13293	1.8
139.11156	1.7
141.06989	1.8
145.06485	1.5
145.10136	16.9
147.11690	9.8
149.09612	3.8
149.13263	11.4
154.07808	1.9
157.10071	3.4
159.11710	14.2
161.09590	1.8
161.13245	5.0
163.11203	2.3
163.14809	3.3
169.10146	5.0
171.10233	2.5
171.11676	2.4
173.11845	2.7
173.13280	7.6
175.14783	1.5
177.12793	5.8
177.16348	2.1
183.11769	2.1
184.07356	23.1
185.13220	1.7
187.11205	3.8
187.14890	3.5
189.11220	11.7
201.16425	1.5
205.12279	4.7
213.14751	1.7
223.13301	55.7
223.15408	2.9
224.13773	1.3
227.12778	11.4
229.14336	7.3
243.21127	5.9
261.22217	15.4
297.16989	80.7
298.17188	2.0
310.41867	1.5
315.23502	1.7
317.24713	4.3
329.24814	2.3
335.25815	98.8
336.26144	3.3
447.32410	2.0
465.33743	3.0
483.34943	2.9
489.35654	9.9
529.38629	1.8
531.14325	1.5
539.37372	6.7
557.38409	77.4
558.38763	3.6
575.39209	2.5
613.46918	2.9
752.17456	1.5
754.47919	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	754.4374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
55.01880	6.8
55.05514	11.3
57.03431	2.9
62.34733	1.0
67.05167	1.2
67.05502	15.8
69.07076	12.2
71.61414	1.7
79.05494	20.0
81.03420	6.5
81.07063	26.7
83.01344	2.2
83.04984	6.6
83.08614	6.4
85.02891	1.3
86.09695	1.6
91.04957	1.6
91.05485	27.3
93.07050	21.4
93.15392	1.1
95.01324	3.5
95.04976	6.4
95.08606	16.6
96.28620	1.2
97.06534	11.7
97.10156	1.4
99.04449	1.3
100.08713	1.1
103.05475	1.4
105.07037	36.1
107.04966	11.6
107.08600	9.0
109.06535	3.9
109.10172	5.5
111.08072	1.6
117.07011	8.6
119.08593	23.0
121.06508	2.7
121.10138	5.9
123.08062	4.1
125.09621	1.1
129.06996	1.6
131.08565	10.3
133.10139	20.7
135.11714	7.3
137.09621	1.4
143.08578	2.6
144.54460	1.0
145.10127	11.6
147.08095	1.2
147.11710	7.4
149.09624	2.6
149.13275	1.7
159.11682	3.5
161.13223	2.4
163.11185	7.7
173.13274	2.1
177.12762	1.9
179.14290	6.3
184.07309	4.1
196.15318	1.2
209.11705	1.6
221.64119	1.4
257.18906	3.5
275.20062	37.3
283.15424	21.5
293.21158	1.5
349.23795	15.0
420.78027	1.5
539.33228	2.5
550.98615	1.1
557.34760	100.0
558.34839	4.1
669.66193	1.5
763.79211	1.3
784.15845	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.8
55.05523	8.7
57.03439	11.3
57.06819	1.8
57.07082	27.6
67.05515	16.4
69.03420	2.3
69.07074	7.5
70.17301	5.6
71.04990	2.7
71.08635	20.3
79.05492	9.5
81.03423	58.5
81.07059	25.1
83.04977	2.8
83.08622	16.8
85.02886	2.7
85.10191	11.7
86.09715	9.0
91.05483	12.5
92.21100	1.5
93.07045	8.8
95.04978	16.6
95.08618	20.2
96.12289	1.4
97.02909	3.7
97.06553	2.1
97.10180	5.0
98.20801	1.8
105.07029	10.1
107.04952	3.3
107.08584	3.6
109.06569	1.7
109.10159	10.8
111.04414	2.1
111.08072	3.7
117.07055	2.0
119.08576	8.2
121.10155	3.4
123.11726	3.2
124.99998	4.7
125.09629	2.2
129.07004	6.2
131.08568	4.2
133.06490	2.2
133.10147	2.2
136.70488	1.3
137.05971	7.3
142.07811	2.5
145.10092	1.7
147.08092	2.3
147.11729	5.6
149.09590	2.6
157.10066	7.7
161.09648	1.9
161.84103	1.2
165.12761	2.0
175.11211	5.8
184.07329	22.9
193.12248	24.5
207.08360	1.4
239.23741	3.3
257.24673	1.5
267.15930	100.0
268.16086	2.3
277.18079	3.6
281.17490	1.7
313.27368	93.5
314.27914	3.2
328.88461	1.3
505.38907	69.1
506.39395	1.7
521.30750	1.7
537.57434	1.6
547.39502	3.2
555.40411	1.8
563.29846	1.6
611.43018	5.3
752.46338	25.5
753.46729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62475	1.4
53.03941	5.3
55.01873	8.5
55.05510	8.8
57.03448	2.0
67.05508	23.4
69.07069	17.3
69.31985	11.1
69.32402	2.8
71.05017	2.1
71.35384	1.5
75.83530	1.4
79.05489	30.4
81.03415	7.4
81.07059	29.8
81.13813	1.8
83.04980	4.8
83.08604	4.3
91.04951	2.9
91.05476	34.1
93.07052	28.0
95.01295	2.5
95.04980	8.0
95.08601	17.7
97.02883	1.6
97.06521	19.5
98.20762	2.9
105.06364	2.9
105.07030	39.4
107.04956	10.7
107.08636	9.2
109.06536	4.3
109.10174	3.9
117.07012	6.8
119.08597	21.5
121.06535	3.2
121.10126	3.7
123.08057	2.1
128.06194	1.5
129.06990	5.2
129.60094	1.4
131.08594	7.9
133.10127	18.4
135.08067	3.2
135.11708	4.2
137.34558	1.8
139.07436	2.2
143.08557	6.1
145.10129	8.5
145.72661	1.4
147.07983	1.9
147.11707	12.7
149.09621	4.7
149.13246	2.1
151.11104	2.0
159.11696	4.2
161.09706	1.9
161.13225	4.1
163.11137	3.4
171.11655	7.9
173.13177	2.2
173.63777	1.9
179.14268	6.7
187.11208	2.2
189.12711	2.9
201.47734	1.7
207.13832	5.7
244.85963	1.7
257.18893	3.4
275.20071	41.3
279.15936	4.1
281.17471	26.0
293.21030	1.8
349.23666	19.5
429.94583	1.8
452.13620	1.6
555.36816	100.0
556.37207	3.6
752.42267	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	749.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05503	1.5
57.03429	1.8
57.07073	1.3
61.02924	5.9
66.86700	0.8
67.05507	6.7
69.03425	3.3
69.07059	2.0
71.04987	1.3
71.08617	1.0
71.61414	1.0
73.02905	4.8
79.05482	2.9
81.03412	4.3
81.07059	6.7
83.08631	1.4
85.02893	6.3
85.06554	0.8
87.04460	1.3
91.03941	2.7
91.05474	3.8
93.07053	3.0
95.05003	1.2
95.08614	5.0
97.02888	6.1
97.06521	0.8
97.52548	0.8
99.04475	1.0
101.02382	1.7
105.07034	5.0
107.08603	1.4
109.10179	2.5
111.08086	0.9
119.08520	1.6
121.10170	1.5
125.00002	0.9
127.03969	1.4
131.08521	1.3
133.10175	1.9
135.11688	1.8
136.75121	0.9
157.10089	1.3
184.07397	3.4
243.08461	2.3
267.16031	0.9
397.32895	0.7
469.20468	4.4
471.22205	1.1
519.29694	1.5
521.30896	2.9
548.14056	0.9
674.30750	0.8
691.40289	5.0
749.44397	100.0
750.44153	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	749.4445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.05521	1.1
57.03440	2.3
60.44687	0.4
61.02929	6.6
61.87579	0.5
67.05511	5.9
69.03432	3.3
69.07078	1.5
71.04987	2.7
73.02908	3.4
74.45556	0.4
79.05514	2.8
81.03446	2.3
81.07063	3.6
85.02903	6.5
86.09701	0.9
91.03953	3.7
91.05504	2.5
93.07028	4.2
95.08600	3.2
97.02898	3.8
99.04476	0.8
101.02383	1.9
103.03938	0.7
105.07031	1.3
107.08603	1.8
109.02879	0.5
109.10155	3.3
114.58468	0.5
117.06985	0.6
119.08610	1.9
121.10161	1.3
125.00023	0.7
127.03929	1.7
130.08232	0.5
131.08546	0.6
135.11702	1.5
137.09663	0.7
143.40897	0.5
145.10231	0.8
158.28322	0.4
184.07385	1.3
185.04272	0.5
185.07672	0.6
186.07933	0.6
225.57637	0.5
239.63451	0.6
243.08514	2.7
253.14154	0.9
319.09842	0.6
357.83469	0.6
359.25833	0.5
466.18445	0.6
471.22150	4.0
519.29388	6.9
749.44501	100.0
750.44989	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	749.3782
Annotation	choloyl-4'-phosphopantetheine
Peak:m/z	Relative Intensity
55.05527	1.6
56.96568	30.3
57.03403	1.2
57.06158	1.3
58.73719	1.3
61.02937	1.6
67.05522	2.2
67.76323	1.2
71.95276	1.8
79.05487	1.5
81.03418	1.7
81.07068	3.5
84.95595	1.4
84.96021	7.4
85.02930	2.6
88.41010	1.2
91.05508	2.7
93.07042	2.2
95.08628	5.0
98.21584	2.9
98.97589	59.9
102.97107	1.3
105.07043	3.5
107.08624	4.6
109.10167	2.0
110.97562	21.5
110.98191	1.5
112.99157	5.7
116.98621	23.1
119.08596	2.4
121.10168	3.6
124.99156	1.4
126.97031	1.5
128.98618	19.1
131.00206	6.7
131.08617	2.3
133.10158	2.7
134.99696	5.3
135.11769	1.8
137.06076	1.7
140.00206	2.8
143.00188	7.7
144.98117	2.5
145.10141	2.5
146.99623	6.7
147.11694	2.0
149.01230	2.7
152.98607	1.4
158.99673	5.4
159.11732	3.4
161.01202	7.7
161.09709	1.6
161.13301	1.8
170.99660	7.4
177.00783	4.7
179.02370	1.5
179.11050	1.3
187.14893	2.4
189.00801	4.6
194.99663	1.9
201.00720	6.6
219.01764	41.5
229.63640	1.3
237.00430	2.5
237.02829	48.7
242.03424	2.0
255.03937	2.1
255.09175	1.8
260.04501	1.9
261.02908	6.2
267.09009	1.9
279.03986	4.4
285.10190	3.3
309.13858	2.1
327.15082	2.1
343.17957	1.5
422.11243	1.4
423.18097	5.0
423.68106	5.4
424.17993	2.2
429.24771	1.8
431.22327	1.6
447.25720	3.0
453.26816	1.8
461.27902	1.4
467.28400	2.3
469.30774	1.7
471.28064	2.5
479.28180	8.1
485.29984	2.7
489.32877	5.0
497.29526	9.3
509.29861	2.9
513.28986	4.1
515.30536	16.8
527.30426	18.1
531.30023	9.2
533.31689	19.1
543.33575	2.5
545.31622	20.8
563.32678	11.1
581.33630	15.6
587.32507	29.4
599.32800	2.6
605.33746	17.9
611.33447	1.5
623.34161	1.5
628.35486	3.3
629.33612	3.0
631.35291	5.2
641.33551	9.5
659.34863	5.1
689.35681	33.8
690.36493	1.7
707.36700	26.1
730.38452	3.4
749.37885	100.0
750.38422	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	748.4758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	4.6
55.05515	4.9
57.03437	1.7
57.06823	0.7
57.07078	11.2
62.06096	0.6
65.18838	0.8
65.76257	0.6
67.05505	8.8
69.07072	7.7
71.08640	6.5
79.05494	6.2
81.03419	0.7
81.07059	28.7
83.04974	2.1
83.08624	4.1
85.10174	4.1
86.09698	4.3
91.05471	3.4
93.07037	5.4
94.07396	0.7
95.04962	0.9
95.08038	0.9
95.08612	11.2
97.06525	1.2
97.10165	1.3
98.98483	1.2
104.10721	0.9
105.07038	4.4
105.65302	0.6
107.08591	4.7
109.06518	8.9
109.10151	6.2
111.04445	15.1
111.08115	1.2
117.07034	1.1
119.08583	4.7
121.06506	0.7
121.10142	4.8
123.08080	2.3
123.11729	2.4
125.00001	2.8
125.06042	4.8
131.08592	1.8
133.10146	5.0
135.08046	2.8
135.11662	4.1
137.05983	100.0
137.13243	2.4
137.33310	0.6
142.07846	0.8
143.08612	1.4
143.68137	0.6
145.10141	1.9
147.08101	1.4
147.11699	8.0
149.09674	3.8
149.13268	1.5
151.07571	3.5
154.08701	0.7
157.10112	2.2
159.11745	0.9
161.09589	6.5
161.13280	2.2
163.11191	4.2
165.09093	1.9
167.10756	1.0
171.11711	1.0
173.13225	0.8
175.11212	5.9
175.14842	1.8
177.09084	0.8
177.12776	0.9
179.10666	2.1
181.12251	0.9
184.07347	16.9
189.12814	1.7
193.12329	1.3
195.00323	7.4
196.00601	0.7
203.17958	6.7
205.19618	0.8
213.16400	3.4
221.19019	2.2
231.17455	8.1
241.15877	1.3
249.18513	6.4
276.19638	1.2
277.17996	50.1
278.18341	0.8
282.28006	2.1
289.81979	0.8
295.19003	10.8
313.27377	19.1
320.22134	6.2
351.21698	9.7
436.28421	0.8
526.36163	2.1
576.39661	3.3
589.44653	88.9
590.45093	2.9
607.45648	13.8
608.45752	1.1
698.37244	2.1
712.45721	1.1
730.46564	2.1
748.41669	13.9
749.43549	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	748.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
55.01873	3.9
58.95858	0.9
65.03946	4.3
67.05510	1.5
69.03426	3.1
69.61208	5.7
75.04485	2.3
77.03966	1.5
78.04710	2.1
79.05494	5.8
81.03426	2.9
82.04198	1.8
85.02900	4.8
89.03919	1.0
91.05495	14.8
93.03416	10.6
93.07050	4.6
95.04987	5.1
97.06527	3.2
98.21494	2.0
103.05481	22.4
105.03413	1.6
105.04530	1.0
105.07028	9.0
106.04188	15.7
107.04951	12.9
107.34883	0.9
109.06519	1.7
110.03625	1.7
111.04420	1.5
115.05461	6.9
117.07021	4.2
118.04172	4.4
119.04965	2.2
120.05730	1.1
121.06509	20.0
123.04433	5.4
124.05221	3.1
124.11205	1.6
125.06007	7.6
129.07014	1.9
130.04131	2.5
131.04932	23.8
131.08537	1.2
132.05687	1.4
133.02875	1.7
133.06499	9.2
134.03647	2.7
135.04442	1.6
135.08064	2.6
137.05971	6.4
139.07579	2.7
141.06935	1.3
142.02666	1.3
143.04932	1.7
144.05763	2.2
145.06485	6.3
146.03551	1.3
147.04437	4.0
147.08029	2.0
148.05209	13.5
149.05998	27.5
151.03917	3.3
151.07533	2.7
152.04723	2.2
153.01843	3.1
153.05476	4.6
153.09111	7.6
155.06012	1.3
159.08025	1.8
161.05974	11.0
162.01309	2.4
163.02280	1.1
163.03918	2.5
163.07556	24.2
166.06302	1.2
167.07056	63.9
171.06528	2.9
173.05975	6.8
175.07558	4.0
176.04689	3.7
177.05484	21.1
179.07021	1.8
179.08607	1.3
181.04974	82.9
181.08545	16.4
182.05371	1.5
187.07538	2.9
188.51688	1.0
190.00845	1.8
190.06300	1.9
191.07037	100.0
192.07649	3.7
193.04883	1.4
193.08626	4.1
195.06548	6.1
201.05482	1.6
203.07040	4.0
205.08620	4.3
207.06450	2.0
207.08325	1.1
207.10309	1.4
208.01993	1.6
209.08104	95.5
210.08504	1.3
217.08661	2.3
219.10225	6.5
221.08006	1.8
223.04272	18.4
225.07552	1.8
233.08089	5.1
235.07698	2.1
235.09711	6.0
237.09175	1.5
245.08124	2.4
257.08182	1.4
263.06851	1.6
263.09204	23.0
265.08627	1.4
267.10150	3.0
281.07977	1.4
295.09735	1.4
297.11206	2.5
312.09442	1.3
323.09204	1.2
325.10751	3.1
329.13837	1.2
339.12402	1.1
355.11703	1.0
357.13367	8.4
367.11786	1.9
369.13397	1.5
371.14944	1.9
385.12869	13.3
387.14429	1.2
399.14536	3.4
408.48532	1.3
417.15439	17.5
609.22546	1.8
735.79309	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.05509	1.5
57.03435	1.2
57.93746	0.4
60.08160	1.3
60.64345	0.4
61.02932	3.5
67.05499	4.2
69.03447	2.2
69.07068	1.5
70.29594	1.3
71.07373	0.7
73.02926	3.2
74.01035	0.4
79.05494	3.7
81.03433	1.2
81.07051	5.3
83.08636	0.9
85.02908	4.5
86.09706	6.5
87.10020	1.1
88.04082	0.4
91.03954	2.4
91.05496	3.4
93.07053	5.0
95.04977	0.8
95.08611	1.9
95.09164	0.4
97.02904	3.5
97.06528	0.9
98.98460	0.8
101.02388	1.4
104.10734	0.5
105.07023	2.1
106.19386	0.4
107.08582	2.3
109.02901	0.9
117.07040	1.0
119.08602	1.1
121.10171	2.2
123.04211	0.5
123.26328	0.4
124.99999	4.0
127.03905	0.9
131.08601	0.8
133.10150	2.2
135.11710	1.0
145.10196	0.5
147.11761	1.0
149.13223	2.2
159.11722	1.1
184.07349	18.6
185.04192	0.6
185.07747	3.0
201.03816	0.7
209.50735	0.4
214.09010	0.4
235.13153	1.3
243.08409	2.3
259.07849	0.7
301.09027	1.6
373.11093	0.5
397.18307	0.6
443.19058	0.6
453.20993	9.8
525.23169	1.4
535.28845	5.1
575.50439	0.4
747.42914	100.0
748.43219	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	748.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00174	0.8
53.03941	2.5
55.01878	3.8
56.48176	0.9
58.62302	0.7
65.03942	5.9
67.05509	1.1
67.14504	0.8
69.03416	2.3
70.10110	0.7
71.61845	1.0
75.04473	2.3
77.79771	0.7
78.04702	2.6
79.05499	6.9
81.03419	3.2
81.07059	1.8
81.75537	0.9
82.04219	1.3
85.02914	5.1
91.05483	10.4
93.03411	8.5
93.07041	3.8
94.04164	1.0
95.04959	4.7
97.02921	0.9
97.06527	2.7
101.05994	1.1
103.05472	22.8
104.06254	0.9
105.03410	1.6
105.04497	0.9
105.07030	8.5
106.03526	1.3
106.04182	12.7
107.04963	11.2
108.02077	1.3
109.02881	1.0
109.06520	1.8
110.03658	2.0
111.04443	2.0
115.05456	6.0
117.07029	5.6
118.04183	4.9
119.04940	2.4
120.05658	1.3
121.05642	1.0
121.06513	17.8
122.03659	1.1
123.04433	5.4
124.05202	2.5
124.11259	1.3
125.06000	9.0
128.06252	1.1
129.07063	1.9
130.04115	2.3
131.04942	23.7
131.08545	1.1
132.05699	1.8
133.02859	2.0
133.06511	9.0
134.01825	0.9
134.03622	2.8
135.04424	1.7
135.08052	1.7
137.05995	6.0
138.03123	1.4
138.06738	0.9
139.07570	1.9
141.06984	1.2
142.02614	2.2
143.04958	2.0
144.05705	2.8
145.06497	6.6
147.04471	4.0
147.08018	2.8
148.05194	12.8
149.05984	26.7
151.03923	4.0
151.07550	3.4
152.04675	1.4
153.01802	1.3
153.05475	6.1
153.09117	7.9
157.06438	1.0
158.03606	0.9
159.04317	0.9
159.08049	1.1
161.05981	11.0
162.01334	1.7
163.03911	2.7
163.07535	21.3
165.05431	2.2
167.07051	63.4
168.07422	1.4
171.06520	2.8
173.05972	6.7
174.06743	1.7
175.07530	2.9
176.04680	3.5
176.08340	0.9
177.04050	1.1
177.05486	17.9
178.06110	0.8
179.07022	1.9
179.11276	0.8
180.07863	1.1
181.04970	85.9
181.08537	17.0
182.05339	1.1
183.92418	0.8
187.07532	3.5
190.00819	2.2
190.06342	1.7
190.15138	0.8
191.07036	100.0
192.07616	2.8
193.04980	2.0
193.08580	4.1
195.06566	4.7
201.05466	2.4
203.07005	2.4
205.08664	4.2
207.06464	1.0
207.10306	1.2
209.08095	88.3
210.08444	1.3
215.77197	0.7
217.08612	2.0
219.10040	5.5
221.08064	2.2
223.04257	22.2
225.07523	1.2
229.08351	0.8
231.06595	1.3
233.08150	6.2
235.07672	1.4
235.09663	7.6
237.09070	1.2
245.08119	2.2
246.06656	1.1
252.07799	1.3
263.06583	1.5
263.09183	23.1
267.10199	3.7
279.09985	1.3
281.08060	1.6
287.05463	1.1
295.09857	1.6
297.11319	1.5
307.09708	1.6
307.13226	0.8
312.08978	1.9
325.10718	4.8
327.12350	1.0
329.14023	1.1
331.11719	1.5
337.10416	1.2
339.12311	1.2
340.69876	0.8
357.13428	8.1
359.14731	1.3
367.11804	2.4
369.13379	1.2
371.14835	1.0
381.13333	0.9
385.12827	12.6
387.14597	1.1
389.16174	1.1
399.14310	4.7
417.15500	16.1
577.20386	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01880	0.7
55.05511	1.8
57.03433	2.0
60.08148	0.6
61.02924	5.9
65.03941	0.6
67.05502	6.4
69.03426	3.1
69.07072	1.9
71.05003	0.9
72.99170	0.6
73.02922	4.0
79.05498	4.5
81.03431	1.7
81.07059	8.2
83.08631	1.5
85.02911	4.9
86.09717	4.1
91.03950	2.8
91.05478	4.9
93.07063	6.2
95.04961	1.1
95.08626	2.9
96.80340	0.6
97.02895	5.2
98.98496	0.8
99.04436	0.8
101.02400	2.0
105.07063	3.4
107.08610	2.5
108.13531	0.6
109.02898	0.8
109.06541	0.7
109.10181	1.1
117.07059	1.6
119.08588	1.9
121.10153	2.1
124.99217	0.6
125.00002	3.7
127.03922	1.4
131.08545	1.3
133.10172	2.4
135.11726	0.8
145.10100	0.7
147.11690	1.2
149.13324	0.6
159.11722	1.6
184.07349	13.3
184.08949	0.8
185.04295	1.6
185.07777	1.6
195.13898	1.1
203.05321	1.2
217.39893	0.7
235.13129	0.9
243.08400	3.0
272.15768	0.7
291.15933	0.7
301.09109	1.3
315.10431	1.6
335.25943	0.9
336.26224	1.2
347.62430	0.7
371.16681	0.7
397.18631	0.7
417.14957	0.6
453.20963	9.8
469.20560	0.8
519.29034	0.8
525.23413	1.9
532.37494	0.6
535.28790	5.8
747.42902	100.0
748.42920	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	747.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01867	0.4
55.05512	1.2
57.03436	2.2
61.02928	6.5
64.44212	0.2
65.03927	0.4
67.05504	4.9
69.03114	0.3
69.03439	3.5
69.07076	1.3
71.01350	0.7
71.04996	0.8
71.12991	0.5
73.02918	4.3
73.03300	0.4
79.05492	4.5
81.03421	2.1
81.07059	4.5
83.08624	0.8
85.02907	6.1
85.06555	0.2
87.04472	0.6
89.91254	0.2
91.03954	3.3
91.05485	2.5
93.07043	4.2
95.04975	0.8
95.08611	3.3
97.02901	5.3
97.06557	0.5
97.10178	0.4
99.04470	0.8
99.08147	0.2
101.02377	2.3
103.03947	0.5
105.04556	0.3
105.07023	2.0
107.04927	0.2
107.08600	1.9
109.02893	0.9
109.06543	0.5
109.10155	1.3
111.08076	0.3
111.85013	0.2
115.03946	0.5
117.07051	0.3
119.08590	1.3
121.10134	1.8
121.10841	0.2
123.08042	0.3
123.11713	0.5
127.03917	1.7
129.07010	0.5
131.08583	1.1
133.10126	1.2
135.11702	0.6
145.04991	0.3
145.10095	0.4
147.11731	0.9
149.13225	0.3
157.10100	0.4
161.13297	0.3
175.11194	0.6
184.07385	0.5
185.04251	0.6
193.12228	0.5
203.05302	0.3
211.13336	0.3
243.08461	1.5
250.71573	0.2
251.12627	0.8
295.09332	0.3
307.15167	0.2
335.25858	0.7
469.20483	2.9
519.29315	8.5
519.36993	0.5
639.34607	0.2
747.42883	100.0
748.43091	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	747.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70615	0.8
55.05500	2.3
55.78553	0.8
57.03429	1.1
57.37883	0.8
57.61232	0.7
58.32637	0.7
61.02947	1.0
61.33838	0.7
63.97319	0.8
67.05511	5.1
69.07063	2.1
70.41107	1.7
70.41516	1.8
71.04999	1.5
79.05493	2.9
81.03413	4.1
81.07061	3.9
83.08632	2.2
84.55361	0.9
85.02897	1.0
86.09703	2.1
89.71796	0.7
91.05479	2.1
93.07053	3.1
95.08620	2.4
95.81700	0.8
97.10164	1.2
105.07014	1.1
107.08572	1.3
109.10178	3.1
113.93452	0.8
125.00072	1.0
133.10149	1.3
135.11774	1.7
139.17143	0.9
173.11899	0.8
173.38095	0.8
179.52000	1.0
184.07355	5.2
193.12323	0.9
195.00319	20.1
195.01999	1.3
209.96761	1.0
211.13321	0.9
227.05670	0.9
339.28851	1.0
469.18997	1.1
491.37616	1.6
492.38022	3.6
503.37378	1.2
519.30060	1.0
525.35535	4.1
550.33820	0.9
550.41925	4.7
575.39227	8.5
628.61792	0.9
697.36639	8.1
747.41089	100.0
748.41516	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72474	0.8
67.05529	1.1
69.07048	0.9
69.33607	1.4
69.34007	5.0
79.05482	0.7
81.03401	1.0
81.07059	1.3
83.08613	0.6
86.09705	0.9
95.05005	0.9
105.07045	0.9
125.00042	0.8
127.30668	0.7
162.02036	0.7
167.18933	0.7
184.07402	4.5
185.07631	0.8
195.00360	2.1
502.60922	0.8
599.58069	0.8
747.40881	100.0
748.41425	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01851	0.5
55.05519	1.3
57.03434	1.8
58.16981	0.4
61.02926	4.6
67.05495	3.5
69.03438	2.6
69.07079	1.0
69.30848	2.3
69.31276	1.9
73.02928	3.2
79.05495	2.5
81.03432	3.2
81.07069	3.4
83.08664	0.8
85.02897	5.2
91.03965	2.4
91.05495	2.4
92.55497	0.4
93.07056	3.2
95.04992	1.3
95.08615	2.2
97.02910	4.2
97.06557	0.6
99.04465	0.6
101.02402	1.7
105.07051	1.3
107.08610	1.3
109.02898	0.7
109.10168	1.0
119.08614	1.2
121.10188	1.1
122.42572	0.4
127.03944	1.1
129.06987	0.6
133.10165	1.2
135.11757	0.5
147.11790	0.7
157.10216	0.4
162.82161	0.4
163.23622	0.4
163.92361	0.4
165.12704	0.5
167.14600	0.4
175.11287	0.9
185.04247	0.5
193.04247	0.4
193.12405	0.7
225.88638	0.5
243.08447	2.2
251.12492	0.7
307.15222	0.6
335.25955	0.4
343.60754	0.4
464.24966	0.5
469.20410	8.7
519.29333	4.4
681.84448	0.5
747.42902	100.0
748.43329	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
55.01870	0.7
55.05511	1.8
56.14228	0.4
56.46729	0.3
57.03435	2.3
61.02931	5.5
64.51330	0.3
67.05505	4.1
69.03432	3.4
69.07063	1.0
69.91198	1.7
71.01354	0.5
71.04989	0.4
71.57782	0.3
73.02914	4.3
75.16103	0.3
79.05507	3.6
81.03420	1.9
81.07063	4.5
83.04974	0.6
83.08610	0.7
83.16018	0.3
83.28195	0.3
85.02908	6.0
86.09718	0.5
88.12517	0.3
91.03955	2.9
91.05466	1.7
93.07050	4.5
95.04971	0.6
95.08621	3.4
97.02893	4.6
97.10175	0.5
98.21393	0.6
99.04465	1.1
101.02386	1.6
105.07018	1.7
107.04973	0.4
107.08611	2.1
109.02902	0.7
109.10173	1.4
115.03972	0.4
117.06976	0.5
119.08573	1.0
121.10142	1.8
123.08112	0.4
127.03934	1.3
131.08594	0.5
133.10107	0.6
135.11700	0.8
145.10121	1.2
156.28336	0.3
163.11177	0.8
173.09558	0.3
178.63466	0.4
184.07344	1.1
185.04219	0.5
202.98074	0.3
243.08511	1.3
249.10951	0.5
253.96011	0.3
335.25940	0.8
345.96408	0.4
368.90265	0.4
467.18979	3.8
519.29327	10.3
745.41351	100.0
746.41608	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	745.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05505	1.6
57.03439	2.4
61.02929	6.9
62.52584	0.6
63.27169	0.5
65.79389	0.5
67.05502	4.6
69.03431	3.5
69.07089	1.2
69.30571	0.5
69.30863	5.3
71.04989	0.8
73.02917	4.9
75.88530	0.5
76.26500	0.5
79.05495	4.6
81.03430	2.3
81.07059	5.0
83.04974	0.6
83.08603	0.9
85.02908	6.8
88.58213	0.5
91.03961	3.7
91.05488	2.4
92.40243	0.6
93.07042	4.8
95.04969	1.0
95.08593	3.8
96.90391	0.5
97.02900	4.5
98.02079	0.5
99.04494	1.0
101.02380	2.3
105.07042	1.9
107.08610	2.5
109.02879	1.0
109.10167	1.5
111.08125	0.6
112.63269	0.5
117.06969	0.8
119.08589	1.2
121.10160	2.1
123.08072	0.8
127.03934	1.7
131.08554	0.7
133.10127	1.1
135.11726	1.4
145.10144	1.1
147.11752	0.7
163.11154	1.4
184.07355	1.1
243.08443	2.0
283.15518	0.6
338.27884	0.7
346.88901	0.7
457.87836	0.6
467.18939	9.3
490.35349	0.7
519.29474	5.6
548.40179	1.0
621.35162	0.7
745.41327	100.0
746.41656	6.3
766.17200	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	745.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.7
56.96565	1.0
57.03413	0.7
67.05499	2.0
69.03426	2.1
69.07042	0.9
71.05009	0.7
71.61885	0.9
78.30603	0.5
79.05505	1.0
81.03422	2.4
81.07070	1.4
85.02928	1.5
86.09711	0.6
91.05499	2.0
93.07048	2.0
94.06559	0.8
95.04974	1.2
95.08606	1.0
97.02908	2.0
97.06538	0.7
103.05507	0.6
105.07024	2.9
107.04971	0.7
107.08622	1.1
109.02831	0.6
109.10181	1.4
112.99112	0.8
119.08629	1.2
121.10184	1.2
123.04473	0.9
123.08079	0.7
127.03946	1.3
129.07108	0.6
131.00217	1.0
131.05006	0.8
131.08624	0.6
133.10138	1.6
134.77773	0.5
135.08054	0.7
135.11720	0.9
137.05994	1.8
143.93710	0.6
145.10124	0.7
151.07622	0.8
161.06070	0.7
161.09662	0.8
163.11137	0.9
167.07069	1.5
173.06068	0.5
177.05501	0.7
190.79625	0.6
191.07050	0.8
191.10670	1.0
260.77917	0.7
267.08981	7.1
285.10117	5.1
309.10309	1.2
485.16852	5.7
517.21051	1.0
583.30768	0.6
727.35754	1.7
745.34229	100.0
746.34424	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	745.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67907	0.4
53.03947	1.2
55.05507	1.5
57.03444	2.5
60.08162	0.9
61.02931	6.3
64.64392	0.3
65.20236	0.4
67.05507	7.1
68.05814	0.4
69.03436	3.8
69.07069	1.7
69.36681	0.5
69.37036	3.2
70.91299	0.4
71.01369	0.4
71.05012	0.4
71.07371	0.6
72.55257	0.3
73.02921	4.3
79.05494	4.5
81.03426	1.5
81.07055	6.1
82.07348	0.4
83.04964	0.5
83.08620	1.0
85.02909	5.2
86.09707	4.6
87.04498	0.5
87.10061	0.6
91.03978	2.6
91.05480	3.1
93.07053	5.0
94.07410	0.4
95.04990	0.8
95.08611	4.6
97.02907	4.8
97.06483	0.4
98.98475	0.3
99.04472	1.1
101.02393	1.4
104.10760	0.5
105.07043	1.2
107.08620	3.1
109.02876	0.6
109.10159	1.8
117.07050	0.6
119.08585	1.4
121.10152	1.8
123.11679	0.4
125.00017	4.0
127.03932	1.7
131.08569	0.8
133.10121	0.7
135.11708	2.8
145.10153	1.3
147.11725	0.5
149.13348	0.3
159.11687	0.5
163.11177	1.9
184.07347	16.2
185.07697	2.0
195.13928	0.4
219.09938	0.5
227.12856	1.1
243.08382	2.1
249.11002	10.2
287.18579	0.4
305.13608	0.8
307.52069	0.4
335.26050	1.1
336.26144	1.0
371.95370	0.4
467.18881	4.5
503.37564	0.6
504.37506	1.7
519.29388	9.7
530.39545	0.4
548.40118	0.5
611.86029	0.3
745.41309	100.0
746.41510	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	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76950	1.1
53.03937	4.4
55.01867	3.0
55.05513	24.0
57.03440	15.4
57.07080	2.7
57.43161	1.2
59.05002	2.2
61.02925	6.1
64.77996	1.2
65.03940	4.0
67.05504	71.4
69.03438	6.7
69.07073	21.4
71.05000	8.0
71.60923	1.4
71.61408	1.4
73.02939	3.0
77.33710	1.2
77.49930	1.1
79.05494	36.6
81.03416	43.8
81.07057	65.1
82.07397	1.6
83.04977	12.9
83.08622	23.9
85.02898	21.1
85.06531	2.7
86.09700	2.6
91.03957	2.1
91.04949	2.4
91.05485	34.9
93.07043	36.4
95.04973	20.4
95.08607	43.2
97.02896	5.0
97.05993	1.3
97.06528	6.8
97.10177	6.4
99.08105	3.5
105.07034	24.4
107.04938	4.0
107.08591	17.3
109.06522	3.7
109.10162	20.7
111.04441	2.2
111.08072	8.7
113.06033	1.8
117.07020	4.1
119.08602	22.2
121.06477	2.7
121.10140	13.1
123.08080	1.6
123.11701	6.3
129.07021	10.1
131.08557	9.3
133.06505	1.5
133.10141	16.6
135.11685	5.6
137.09612	2.9
137.13266	3.0
137.47604	1.3
145.10127	4.9
147.08134	2.5
147.11707	12.7
149.09647	4.6
149.13228	3.7
157.10129	7.8
159.11705	1.7
161.13258	4.2
163.11195	1.7
163.37686	1.2
165.12758	2.1
167.46616	1.2
173.13263	1.7
175.11201	9.5
181.12314	1.7
184.07335	9.8
193.12250	31.0
211.13301	50.9
229.14323	2.2
255.15805	2.5
261.22101	1.5
263.23685	3.0
267.15906	14.4
269.17499	1.8
285.16953	63.6
286.17316	3.0
287.18475	5.2
335.25797	10.0
337.27359	59.1
338.27939	2.0
489.35745	18.4
515.37292	3.4
529.38904	12.2
547.39941	100.0
548.40253	6.0
654.75092	1.4
665.34479	1.4
744.45355	4.0
745.41364	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01867	1.9
55.05301	1.1
55.05515	14.9
57.02954	1.1
57.03435	6.2
57.07060	2.7
57.51202	1.1
59.04977	1.9
61.02911	3.3
65.03922	3.3
67.03330	0.9
67.05507	98.0
67.50285	1.2
69.03424	2.5
69.07074	12.4
71.04636	1.3
71.04993	17.1
71.05328	2.3
79.05052	2.0
79.05495	35.0
81.03401	2.9
81.07060	45.2
83.04971	4.6
83.08617	8.4
85.02899	4.0
85.06528	2.7
91.03960	1.6
91.04949	1.9
91.05485	24.2
93.07048	46.8
95.04955	4.7
95.08043	2.1
95.08611	30.7
97.02896	1.9
97.06539	4.8
97.10157	1.7
103.65154	1.0
105.06470	1.1
105.07047	10.3
107.08594	21.8
109.06458	2.0
109.10161	62.1
111.08052	3.1
117.07035	4.8
119.08590	17.9
121.10155	16.9
123.11685	3.0
125.19946	1.1
131.08594	7.5
133.10121	7.0
135.11708	15.3
137.09618	10.8
139.11172	1.4
143.08542	1.4
145.10121	6.4
147.11717	3.6
149.13214	2.8
155.10643	3.9
159.11697	3.1
161.09610	1.0
161.13248	3.4
163.11209	1.9
163.13300	1.0
169.12190	2.3
171.11694	1.9
173.11723	5.2
173.13133	1.9
179.97340	1.0
181.12309	1.1
184.07297	2.7
187.13231	1.7
198.43422	1.2
213.14882	1.3
229.14328	1.5
243.15984	2.1
249.23756	1.3
254.02507	1.1
255.15921	5.1
259.20572	1.6
261.22189	2.4
285.17020	1.1
287.18558	20.3
317.24878	1.9
335.25836	29.6
336.26190	1.3
379.29712	1.6
397.31006	1.8
423.32596	1.4
471.34671	3.1
489.35779	100.0
490.36026	5.3
497.35925	1.2
503.37061	5.3
515.37280	12.4
547.39984	82.8
548.39850	2.9
708.81531	1.4
745.40778	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	744.4879
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.05511	4.2
56.05036	0.5
56.56931	0.4
57.03440	4.3
57.07060	0.8
60.08162	5.9
61.02919	1.3
62.27576	0.5
65.03939	0.6
67.05508	22.4
69.07076	5.0
69.23750	0.5
70.02940	1.5
70.03349	0.9
71.04996	2.4
71.07375	4.6
73.02890	0.7
79.05495	10.7
79.49213	0.4
81.03416	1.3
81.07061	26.6
83.04964	2.0
83.08620	4.1
85.02905	1.4
85.06532	2.7
86.09709	29.6
91.03940	0.6
91.05477	7.4
93.07047	14.7
95.04967	1.8
95.08606	9.9
97.02855	0.6
97.06516	2.1
97.10156	0.8
98.98479	4.3
99.04445	0.5
99.08068	1.1
104.10747	2.3
105.07034	4.7
107.04949	0.5
107.08600	8.2
109.06514	0.7
109.10158	4.2
111.08076	1.3
111.76443	0.5
117.07000	1.9
119.08573	3.1
121.06525	0.7
121.10151	4.8
123.08061	0.5
123.11733	3.1
125.00008	21.4
131.08578	3.2
131.85133	0.4
133.10141	4.4
135.11705	3.4
139.11243	0.6
145.10147	1.2
147.11708	1.2
149.13255	4.4
151.11180	1.8
159.11731	4.0
161.13190	1.0
173.13298	1.0
177.12778	1.0
182.90611	0.5
184.07346	100.0
184.41573	0.5
185.07521	0.6
187.13306	2.3
193.12128	0.7
195.13777	2.0
213.14926	0.6
220.01013	0.5
221.91437	0.4
231.54167	0.5
241.14215	0.8
243.15918	7.0
243.21227	0.6
261.22083	2.2
263.73022	0.5
269.17496	5.0
287.18530	10.0
313.13431	0.5
317.24615	0.7
335.25842	12.0
336.26111	1.0
489.35938	0.7
503.37323	23.1
504.37772	1.3
521.37445	0.7
529.39075	2.3
547.39746	9.4
548.40649	0.5
712.45264	0.7
744.48242	2.4
745.41107	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.5761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.1
53.50011	1.7
55.05509	15.8
57.07076	3.8
65.03939	2.5
67.05507	24.3
69.03427	1.6
69.07066	21.1
70.71836	3.7
70.72202	3.5
74.46775	1.5
79.05500	18.3
81.07059	60.7
83.08620	9.9
91.05478	20.0
93.07042	35.2
95.08607	59.5
97.10164	5.1
105.04503	1.8
105.07030	40.5
106.82668	1.9
107.08598	32.9
109.10159	32.1
111.11765	2.1
117.06992	5.1
119.08566	34.0
121.10147	30.0
123.08075	13.7
123.11707	15.7
129.07060	2.8
129.39389	1.8
130.07791	1.9
131.08546	12.8
133.10130	24.0
135.08081	3.8
135.11696	18.6
137.13269	6.8
141.06996	2.6
142.07782	4.6
143.08543	9.5
144.09233	2.4
145.10130	21.2
147.11696	23.4
149.13272	12.1
151.07542	100.0
151.14845	2.1
155.08556	3.2
156.09349	4.4
157.10120	18.0
158.10841	2.1
159.11687	21.9
161.09686	2.5
161.13254	16.8
161.30823	1.9
163.07581	2.7
163.14809	6.6
165.09093	4.6
168.09349	2.2
169.10124	8.6
170.10910	2.4
171.11713	15.6
173.09579	2.7
173.13239	18.2
175.07478	4.1
175.11234	1.9
175.14864	10.6
176.89661	1.8
177.09070	6.4
177.16377	6.0
181.10147	4.2
183.11662	8.3
185.13246	11.2
187.14828	13.2
188.08368	3.3
189.09120	20.7
189.16402	7.6
191.10695	16.0
191.17900	2.7
195.11664	3.4
197.13263	7.2
199.14838	9.6
201.09155	4.7
201.16451	10.0
203.10632	14.4
203.18004	5.6
205.12219	4.8
207.11792	1.7
209.13257	5.3
211.14796	8.0
213.16455	8.4
215.10677	3.7
215.17986	7.8
217.12256	5.6
217.19562	2.3
221.13303	2.1
223.14848	5.9
225.16389	5.5
226.17195	1.7
227.10580	2.9
227.18024	3.2
229.12289	4.4
229.19598	3.4
231.13774	2.6
235.14877	2.1
237.16370	2.5
239.17953	5.5
241.12228	5.0
241.19548	5.2
242.12929	2.0
243.21152	2.1
249.16460	2.1
251.17850	2.3
253.12207	2.1
253.19554	4.5
255.13849	2.3
255.21004	4.8
257.15341	2.0
257.22757	4.0
265.19510	5.8
267.20935	4.1
269.15396	2.8
279.20993	2.9
281.15485	2.1
281.22763	2.1
289.19681	1.9
297.25797	3.4
323.27335	1.9
363.86978	2.1
471.39777	2.0
485.34024	1.9
539.45764	2.9
571.47247	2.8
593.51379	1.8
743.45190	2.6
743.57672	42.4
744.56586	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	743.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.05505	1.3
55.15190	0.4
57.03426	1.5
61.02928	4.7
67.05502	5.2
69.03438	3.6
69.07066	1.4
70.85689	0.9
73.02927	3.9
79.05494	4.0
81.03424	1.6
81.07051	4.3
83.04988	0.7
83.08626	0.8
85.02908	4.5
91.03960	3.0
91.05481	3.1
93.07047	4.8
95.04996	0.7
95.08602	3.4
97.02888	3.1
101.01799	0.4
101.02354	2.3
103.03952	0.5
105.07043	2.6
107.08597	1.7
109.02922	0.6
109.10177	1.0
117.07061	0.6
119.08607	1.3
121.10163	1.2
127.03939	1.2
129.07004	0.5
131.08562	0.6
133.10197	1.0
135.11713	0.6
137.09500	0.4
142.54314	0.4
143.08554	0.4
145.10141	0.8
147.11682	1.0
169.10146	0.4
171.11743	0.9
235.04419	0.4
243.08487	1.5
247.13110	1.0
335.25964	0.6
341.80325	0.4
465.21094	6.0
512.53131	0.4
519.29376	6.4
571.46844	0.5
743.43390	100.0
744.43890	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	743.576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75959	2.1
53.03934	2.1
55.05511	12.9
57.02395	2.1
57.07073	5.4
65.03942	3.3
67.05222	2.1
67.05512	26.3
69.07067	20.0
79.05488	13.8
81.06572	3.0
81.07058	54.5
83.05028	2.0
83.08611	5.1
85.09525	1.8
91.05482	16.7
93.07048	35.9
95.08032	3.9
95.08611	49.5
95.09219	2.7
97.10166	5.5
105.07032	34.5
107.08601	34.1
109.10157	35.4
117.07013	5.5
119.08582	34.1
121.10138	29.3
123.08098	10.3
123.11722	12.7
129.06990	3.8
130.07819	2.2
131.08578	16.7
133.10135	21.5
135.08112	5.3
135.11723	17.9
137.13255	4.4
142.07719	4.2
143.08585	9.9
145.10143	19.5
147.11684	19.5
149.09654	3.0
149.13235	7.8
151.07550	100.0
155.08539	6.5
156.09326	3.2
157.10110	16.8
159.11703	24.0
161.13261	16.6
163.14827	5.1
165.09134	5.0
169.10143	6.2
169.45209	2.0
171.11681	12.5
172.26646	1.9
173.09547	1.8
173.13266	19.3
175.07574	3.2
175.14809	10.4
177.09096	5.7
177.16377	3.4
183.11627	10.3
185.13309	11.1
187.14780	9.6
188.08356	3.7
189.09103	16.5
189.16408	5.7
191.10675	13.3
195.11711	5.4
196.12534	2.1
197.13295	6.8
198.14185	2.2
199.14838	9.0
201.16365	5.7
203.10725	13.1
203.17946	3.9
208.12531	2.1
209.13293	3.7
211.14861	4.9
213.16371	7.9
215.10648	5.7
215.17892	6.6
217.12437	4.4
221.13167	3.8
223.14854	6.4
225.16457	3.6
227.18015	5.4
229.12242	3.9
229.19437	2.9
231.13655	2.3
237.16437	3.3
239.17903	4.2
241.19505	5.3
243.21068	4.8
251.17979	2.5
253.12213	2.5
253.19322	2.6
255.20999	2.4
257.15259	2.8
267.21234	3.3
269.15488	3.4
269.22632	3.5
279.21118	2.8
283.16788	2.1
363.23590	2.2
537.45544	2.1
648.61090	2.3
743.57605	47.3
744.57532	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	743.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37620	0.4
53.03942	0.8
55.01880	1.1
55.05501	1.8
56.96572	0.5
57.03439	2.0
57.07076	2.5
61.02934	4.1
65.08797	0.4
67.05505	3.8
69.03423	4.3
69.07068	1.8
71.04996	3.1
71.08259	0.4
71.08612	0.9
71.61308	0.7
73.02924	3.4
73.03271	0.6
79.05497	3.5
81.03420	8.7
81.07063	5.4
83.04993	1.9
83.08609	1.9
84.13644	0.4
84.96076	0.5
85.02901	8.7
85.06552	0.6
85.10157	0.5
87.04485	0.5
91.03966	3.3
91.05479	5.7
93.07027	3.1
95.04967	2.8
95.08615	1.8
97.02884	5.3
97.06528	0.8
98.97596	3.5
99.04476	1.3
99.08111	0.4
101.02396	1.7
105.07018	3.4
107.05003	0.8
107.08624	1.3
109.02895	1.3
109.06548	1.2
109.10164	0.5
110.97585	1.5
111.04491	0.5
111.08081	1.0
116.98656	0.9
117.07046	0.5
119.08584	3.1
121.10150	1.4
123.08032	0.7
123.11710	0.5
125.09608	0.5
127.03889	2.6
128.98642	1.1
129.07001	1.3
131.08588	1.6
133.10182	2.0
137.06004	0.4
137.09595	0.6
140.02335	1.3
143.00201	0.6
145.04970	1.1
146.99658	0.5
147.08064	0.6
147.11668	3.5
157.10150	1.7
158.99702	1.6
161.02855	1.1
163.11212	0.5
165.12781	1.4
167.07080	0.5
170.03378	3.1
170.99690	1.0
175.11211	1.5
177.00682	0.9
182.03226	0.5
189.00650	0.6
191.03932	1.2
193.12270	3.0
201.00717	1.0
219.01768	3.1
237.02785	3.6
243.08398	2.1
248.41943	0.5
251.12540	1.2
261.02887	2.0
261.11703	10.7
261.14349	0.7
261.62018	1.7
265.14243	1.1
267.15479	0.5
271.06189	0.9
279.03848	4.9
281.63214	1.2
321.05069	0.9
342.14594	0.5
353.19659	0.5
359.17499	0.7
374.96198	0.4
377.18845	0.5
402.16354	2.4
421.22977	1.9
421.73013	1.0
423.17044	1.9
460.18387	0.5
460.27426	0.5
469.20541	7.7
478.29047	0.6
483.22174	1.7
502.25330	20.4
502.75586	6.3
515.24548	6.8
515.31305	0.3
521.22632	2.9
581.33002	0.7
659.36078	0.6
711.34442	0.5
743.38232	100.0
744.38409	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	743.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.3
57.03427	1.9
61.02914	2.7
67.05517	4.1
69.03425	2.6
69.07053	1.9
71.61039	2.1
73.02906	2.5
79.05506	4.2
81.03432	1.3
81.07047	5.4
85.02904	3.2
86.09678	2.1
91.03963	2.2
91.05484	3.3
95.08637	2.2
97.02879	1.5
105.07040	2.6
107.04948	2.0
107.08585	1.9
111.08907	1.4
116.73005	1.4
119.08518	1.7
119.98224	1.4
128.77771	1.3
181.68840	1.4
184.07350	1.9
184.21307	1.4
185.04227	2.2
243.08524	2.0
292.36835	1.5
301.09055	3.9
308.85483	1.4
371.16888	1.9
373.11127	1.8
385.18356	3.7
453.20926	5.3
469.20197	2.3
483.21927	4.1
525.22925	2.3
567.31433	100.0
568.31201	4.3
596.31781	1.9
665.35345	3.2
697.37555	12.2
741.36298	3.4
743.38123	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.1
55.01868	4.7
55.05514	28.9
57.03442	19.9
57.07074	2.9
59.05016	1.9
61.02938	3.8
65.03928	2.0
67.05508	70.8
69.03433	5.8
69.07072	18.5
69.64374	11.2
71.04989	5.3
74.67466	1.6
79.05500	57.6
81.03425	69.5
81.07063	66.1
83.04987	17.5
83.08625	26.8
85.02911	31.9
85.06548	2.8
91.03978	2.4
91.05485	47.8
93.07052	52.4
95.04972	28.2
95.08035	2.8
95.08612	41.6
97.02903	6.2
97.06542	5.9
97.10172	4.9
99.08069	2.1
105.04537	2.5
105.06365	2.5
105.07038	33.7
107.04952	7.5
107.08599	23.5
109.06516	6.6
109.10172	16.3
111.04474	4.4
111.08105	13.6
113.06017	3.8
117.07014	6.2
119.08585	28.9
121.10153	28.2
123.08080	4.7
123.11717	5.9
129.07025	11.9
131.08577	19.1
133.06503	4.1
133.10127	17.1
135.11703	11.1
137.09602	2.5
142.07785	1.9
145.10126	9.0
147.08154	3.1
147.11693	20.9
149.09630	6.4
149.13300	5.4
157.10123	16.4
159.11694	4.8
161.13275	2.2
163.11209	2.3
165.12746	4.9
173.13284	5.1
175.11209	16.8
187.14769	3.3
193.12270	51.6
193.14055	3.0
205.98598	1.7
211.13307	82.5
261.22174	14.0
267.15915	17.9
285.16989	91.2
286.17462	2.8
317.24701	3.1
335.25833	79.0
336.26190	2.4
373.76688	1.7
435.32504	2.6
453.33322	2.4
527.37500	12.0
545.38416	100.0
546.38751	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	742.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01865	3.4
55.05289	1.8
55.05512	19.5
57.03440	18.8
57.07076	1.4
59.04989	1.3
61.02926	3.4
62.24683	1.5
62.26859	1.3
65.03942	2.2
66.71076	1.3
67.05509	55.2
69.03427	4.2
69.07073	13.1
69.63941	9.9
71.04993	3.4
79.05495	42.2
81.03422	47.4
81.07062	58.4
83.04984	12.9
83.08618	17.7
85.02918	19.8
91.03988	2.2
91.05486	34.4
93.07045	37.8
95.04977	20.1
95.08607	37.0
97.02901	4.1
97.06522	3.9
97.10153	4.4
98.21523	2.6
105.07032	25.6
107.04958	4.6
107.08597	18.3
109.06521	4.7
109.10166	11.8
111.04463	2.3
111.08082	7.5
115.05476	2.4
117.07029	5.0
119.08580	20.3
121.10146	16.1
123.08078	2.0
123.11688	4.8
129.07028	11.4
131.08578	18.1
133.06552	1.6
133.10139	12.6
135.11690	8.5
137.09607	2.4
145.10112	5.3
147.08000	2.1
147.11681	13.9
149.08064	1.4
149.09613	3.4
149.13272	5.1
157.10149	9.2
159.11711	3.8
161.13235	2.3
165.12704	1.7
173.13284	3.4
175.11150	9.2
193.12253	31.7
211.13301	50.3
211.15216	3.2
243.21158	2.4
261.22180	11.9
267.15930	12.6
285.16971	53.8
317.24890	3.1
335.25797	90.8
453.33627	2.5
527.37500	13.6
545.38397	100.0
546.38574	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	741.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
53.77169	0.5
55.05502	2.2
57.03435	2.3
60.87158	0.5
61.02927	4.4
65.03927	0.7
67.05505	4.5
69.03419	3.3
69.07063	1.4
71.04993	5.2
73.02911	3.1
79.05490	4.8
81.03417	6.7
81.07059	6.4
83.04980	2.0
83.08629	1.6
85.02917	5.2
85.06538	0.7
87.04453	0.7
91.03957	2.3
91.05476	5.1
93.07056	4.5
95.04961	3.7
95.08608	1.6
97.02894	4.7
97.06537	1.0
98.97607	0.6
99.04485	0.8
101.02395	1.3
105.07022	3.3
107.04976	2.1
107.08624	2.7
109.02918	0.9
109.06523	1.5
109.10188	1.9
111.04421	0.5
111.08073	0.9
117.07007	1.1
119.08553	2.7
121.06519	1.0
121.10163	2.4
122.11277	0.5
123.04463	0.6
123.08083	0.9
123.11705	1.0
126.52374	0.5
127.03928	1.5
129.07037	1.4
131.08588	2.0
133.06549	0.7
133.10164	2.1
135.08026	1.0
135.11702	0.7
143.08569	0.5
145.06526	0.6
145.10136	2.1
147.11719	1.6
149.09665	1.0
153.01900	0.8
157.10159	1.9
163.11194	2.2
173.13182	0.6
175.11267	1.6
185.04327	0.6
193.12311	1.7
221.15761	0.5
243.08461	2.5
267.16034	1.3
283.15695	0.7
295.15366	0.7
436.28448	0.7
443.27634	0.6
444.28613	0.8
445.29492	0.5
461.28857	3.1
462.29312	7.5
467.18796	3.1
469.20624	3.3
481.20502	1.0
483.22171	1.3
501.23242	1.4
513.23291	3.1
515.24780	2.3
566.72919	0.7
741.36652	100.0
742.37024	5.2
755.68829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01863	6.2
55.05513	15.1
56.96573	1.7
57.03437	10.8
58.64864	1.4
59.04975	1.4
65.03939	1.6
67.05508	21.6
69.03420	6.1
69.07062	7.4
71.01338	2.0
71.04978	7.7
71.28279	2.2
79.05491	32.0
81.03420	59.4
81.07059	25.0
83.04975	6.5
83.08624	20.4
85.02895	4.4
85.06548	2.7
91.05487	25.6
93.07047	22.9
95.04976	26.3
95.08608	12.3
97.02903	4.1
97.06535	5.3
97.10165	15.0
99.08080	1.7
105.07040	22.7
107.04348	2.3
107.04960	19.4
107.08601	15.6
109.02892	2.0
109.06507	23.1
109.10140	8.3
111.04454	2.1
111.08089	8.2
117.07017	8.0
119.08595	13.8
121.06515	18.0
121.10143	14.3
123.04451	2.6
123.08067	5.8
124.11244	2.8
125.09637	17.3
127.03930	10.0
129.07011	10.4
131.04913	3.0
131.08575	13.6
133.06519	5.3
133.10117	6.9
135.08046	11.1
135.11720	2.2
137.05981	5.4
137.09598	3.4
141.07040	2.4
142.07788	2.2
143.08566	3.9
145.06503	6.1
145.10127	7.2
147.04382	3.3
147.08061	5.1
147.11685	6.3
149.09625	7.3
153.01796	3.4
153.09120	3.9
157.10112	8.5
159.08006	2.7
159.11609	2.2
161.05879	2.2
161.09627	4.5
163.11214	6.9
167.07037	2.7
167.10634	2.6
169.10110	2.3
171.08136	1.8
173.09619	2.7
173.13301	3.6
175.11180	6.0
177.12737	1.9
184.07381	2.0
189.09409	1.9
189.11200	9.2
189.12740	2.3
191.10735	2.1
191.14273	4.1
193.12277	17.9
197.09621	1.8
197.13200	2.5
205.12149	2.7
211.13255	2.7
215.14362	2.8
217.12303	2.6
219.13802	11.6
223.13286	2.9
227.12701	2.3
229.09789	2.5
233.15305	4.5
241.14268	1.6
259.15451	9.2
261.65540	1.7
267.15912	35.8
273.14804	6.6
287.05331	2.8
293.17355	6.0
339.23184	4.5
349.21442	5.5
357.24368	2.4
367.22653	19.1
377.19714	1.7
385.23709	23.0
399.15390	2.2
403.24921	8.5
433.25977	2.2
441.26379	9.4
451.26764	4.2
456.57483	2.1
459.27399	100.0
460.27795	5.5
477.28494	94.8
478.28714	5.5
491.30121	9.4
495.29123	7.6
501.28278	3.6
509.30948	3.9
513.28088	1.9
742.00806	1.9
742.53571	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	740.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88264	0.5
53.03955	2.9
55.01859	2.3
55.05516	12.0
57.03440	8.7
57.07067	1.4
61.02911	1.6
65.03941	2.2
67.05507	39.0
69.03418	1.8
69.06709	0.8
69.07071	11.1
70.86045	1.2
71.04996	2.7
73.02891	0.8
79.05497	34.1
80.05837	0.6
81.03416	1.6
81.07059	36.9
82.07392	0.7
83.04972	2.9
83.08625	8.6
85.02934	1.1
85.06549	1.1
85.73770	0.5
86.09721	0.6
88.97811	0.5
89.51418	0.5
91.05486	13.5
93.07049	45.0
95.04977	5.4
95.08607	46.3
97.02901	2.8
97.06529	3.0
97.10187	1.5
99.04475	3.3
103.05474	1.1
105.04523	1.0
105.07037	12.7
107.04962	5.5
107.08595	27.0
108.08954	0.7
109.06532	2.1
109.10156	10.3
111.08078	1.7
113.06003	0.6
113.09709	0.6
117.07018	7.0
119.08586	11.4
121.06509	3.9
121.10152	15.8
123.08044	0.7
123.11703	3.2
125.05984	2.3
130.07782	1.5
131.08574	5.6
133.10147	5.4
135.08063	1.8
135.11696	37.8
137.09586	0.8
137.13222	0.9
139.07547	0.9
143.08531	0.9
145.10127	21.8
147.11685	2.4
149.13237	2.1
153.12747	1.2
155.08499	0.7
159.11673	2.3
161.13263	1.9
163.11189	38.8
163.14801	1.4
164.11618	0.6
173.09647	0.7
173.13191	1.5
175.14795	1.0
181.12247	7.0
184.07349	1.4
187.14897	0.7
209.11742	1.6
227.12788	46.3
228.13084	0.7
243.21156	2.1
261.22125	7.4
283.15408	46.3
284.15784	1.0
317.24792	2.4
335.25806	100.0
336.26208	3.9
443.00388	0.7
531.76086	0.7
543.36816	73.8
544.36969	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	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55408	0.8
53.03944	4.2
55.01870	8.2
55.05511	24.5
57.03437	16.3
57.07067	2.0
59.04987	3.0
61.02922	6.7
61.45433	0.8
61.99793	0.8
65.03938	2.7
67.05505	56.4
68.03854	0.8
69.03418	2.9
69.07066	14.8
70.85782	1.8
70.86128	1.4
71.04997	3.8
71.08635	0.9
73.02928	1.4
79.05494	48.5
81.03420	11.8
81.07056	61.8
83.01344	7.6
83.04978	10.8
83.08621	14.4
85.02902	7.9
85.06538	1.5
91.03957	1.8
91.05481	28.6
93.07045	58.8
95.04982	8.0
95.08607	43.3
97.02886	4.3
97.06543	5.0
97.10181	4.3
99.04466	2.3
99.08102	1.0
103.05510	1.5
105.04537	0.9
105.07030	22.4
107.04945	6.0
107.08594	31.2
109.06527	6.8
109.10152	15.8
111.04456	2.5
111.08092	3.6
111.11755	0.7
117.07024	12.2
119.08577	19.4
121.06506	3.7
121.10150	23.1
123.08067	8.1
123.11719	4.9
125.05943	1.4
125.09609	2.9
129.07007	2.9
130.07788	1.7
131.08563	11.0
133.10115	9.0
135.08035	2.5
135.11694	20.6
137.09627	1.9
137.13254	1.5
139.11186	1.0
143.08580	1.6
145.06541	1.0
145.10121	20.7
147.08040	2.0
147.11700	5.9
149.09610	1.4
149.13258	6.0
153.12704	2.1
153.59120	0.7
155.08539	1.9
157.10063	1.8
159.11719	6.7
161.13245	5.0
163.11182	24.1
163.14822	2.7
169.10115	0.9
171.11636	1.3
173.09630	3.0
173.13235	5.6
175.14789	1.7
177.16362	1.2
181.12224	3.8
184.07347	2.2
187.14807	2.5
189.11201	1.9
191.10666	3.4
201.16447	1.2
204.61089	0.8
209.11778	9.2
211.13261	1.3
227.12756	9.8
229.79173	0.8
243.21045	5.0
259.20627	1.5
261.22141	18.9
262.22568	1.2
267.15881	1.2
277.21609	1.1
283.15399	100.0
284.15750	1.4
299.23755	4.6
317.24780	4.7
333.24030	1.4
335.25793	99.3
336.26065	3.1
378.51242	0.7
415.30356	0.8
433.31018	1.4
451.32196	3.4
469.33282	2.2
487.34485	1.1
525.36047	4.2
543.36847	66.2
544.36938	2.8
561.37720	2.2
666.61536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.7
55.01873	6.0
55.05293	1.4
55.05519	20.9
57.03444	14.2
57.07074	1.7
59.04990	2.3
61.02919	2.8
62.24337	1.3
65.03950	2.1
67.05162	2.1
67.05507	36.0
69.07080	9.0
70.72969	1.4
70.73291	2.3
71.04987	3.8
71.08622	1.9
73.02913	1.6
79.05495	38.7
81.03424	11.0
81.07063	39.2
83.01336	7.1
83.04984	10.7
83.08632	12.9
85.02904	5.6
85.06535	2.0
86.09713	4.8
87.10012	1.8
91.03979	2.2
91.05484	23.1
93.06457	2.1
93.07050	40.6
95.04955	6.9
95.08617	29.0
97.02901	3.9
97.06543	4.3
97.10159	4.1
99.04462	1.5
101.66303	1.2
103.30800	1.3
105.07038	13.4
107.04964	6.0
107.08601	21.1
109.06526	6.0
109.10166	12.8
111.04442	2.6
111.08135	2.8
115.05509	1.6
115.80975	1.2
117.07009	8.9
119.08581	16.3
121.06515	1.9
121.10150	14.4
123.08081	8.9
123.11706	5.0
125.00013	4.1
125.06065	1.8
129.07056	1.8
131.08582	10.5
133.10165	6.7
135.08060	1.8
135.11687	15.6
145.10135	20.4
147.11707	4.3
149.13280	5.5
153.12770	2.8
159.11685	3.3
161.13255	3.9
163.11195	20.1
163.14827	3.0
173.13223	3.6
181.12245	3.1
184.07339	13.0
185.07755	3.2
187.14821	1.6
189.11249	1.5
191.10681	3.0
201.16382	1.6
209.11757	8.1
227.12769	9.1
243.21106	4.8
261.22116	13.4
274.13843	1.7
277.21802	1.5
283.15421	100.0
284.15720	1.8
299.23685	3.9
317.24765	3.1
335.25824	71.2
336.26160	2.1
399.22833	1.3
433.30969	2.1
435.75266	1.6
436.33542	1.3
451.32202	3.2
469.33255	3.1
525.35889	3.6
543.36816	43.9
544.37634	2.6
561.37799	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
53.03943	1.1
55.01874	1.8
55.05514	6.7
57.03431	3.6
59.05009	0.9
65.03945	1.1
67.05165	1.2
67.05511	22.3
69.03429	1.5
69.07079	4.7
70.77828	2.6
71.05001	10.3
77.83156	0.7
79.05499	11.6
81.02975	1.2
81.03423	19.6
81.07062	31.5
83.04994	2.4
83.08636	6.5
85.06538	2.7
86.09719	0.8
91.05485	14.3
93.07045	11.5
95.04972	11.8
95.08608	7.4
95.59333	0.8
97.02892	1.3
97.06532	2.8
97.10168	3.2
105.07019	8.1
107.04964	7.0
107.08606	7.8
109.06531	7.1
109.10159	3.3
111.04424	0.9
111.08096	2.5
115.11300	0.8
117.07009	3.6
119.08593	5.3
121.06517	6.2
121.10143	4.9
123.08055	1.7
123.11735	3.8
125.09628	2.2
129.06995	4.1
131.08554	7.1
133.06493	2.8
133.10149	8.1
135.08041	2.5
135.11707	1.8
141.07013	0.8
143.08566	1.8
145.06488	1.9
145.10129	3.0
147.08003	1.2
147.11719	2.7
149.09605	2.3
149.13243	1.6
151.11169	2.7
155.08513	1.1
157.10095	4.6
159.08067	1.1
159.11716	2.7
161.09637	1.8
163.11154	2.5
167.07034	1.0
169.10133	0.9
171.08018	1.1
171.11623	1.3
173.13271	2.9
175.11179	2.0
179.10696	0.9
183.13751	1.0
187.11252	1.6
187.13266	1.5
189.11319	0.9
191.14378	1.5
193.12219	4.6
199.14748	0.9
201.12737	1.0
219.13808	3.2
249.15001	1.0
267.15976	7.2
269.17465	1.6
293.17291	1.0
301.14398	1.1
301.20142	4.3
325.21515	1.1
343.22656	3.4
369.24194	2.5
387.25372	1.0
390.17993	0.8
407.25784	1.0
417.26385	3.6
435.27451	13.0
443.27975	9.3
461.29016	100.0
462.29410	3.8
475.30386	1.5
493.31390	4.0
503.29810	1.0
527.29883	1.0
722.39093	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4066
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61319	2.8
53.03943	7.6
55.01879	12.6
55.05290	2.9
55.05514	32.2
55.86462	2.6
57.03440	22.0
59.04995	4.4
61.02905	4.0
65.03957	2.8
67.05502	56.5
69.03418	8.1
69.07067	10.6
71.04990	7.2
71.22053	3.3
71.22403	5.3
73.02905	4.5
78.52864	2.3
79.05501	37.4
81.03421	100.0
81.06625	3.7
81.07063	40.6
83.04980	22.4
83.08626	25.9
85.02898	6.6
85.06507	5.1
86.09698	3.1
87.04459	5.5
91.05479	33.3
93.07054	29.4
95.04963	35.7
95.08608	19.5
96.90873	2.4
97.02878	9.2
97.06532	10.5
97.10188	18.6
98.07295	4.6
99.04439	3.5
99.08105	3.1
103.05473	4.4
105.07034	24.2
107.04952	17.6
107.08595	19.7
109.06520	6.2
109.10151	25.0
111.04449	9.9
111.08125	12.0
115.05444	2.6
116.04710	9.0
117.07014	4.6
119.04901	2.9
119.08580	21.4
121.02814	2.8
121.06497	7.6
121.10127	12.9
123.08099	6.7
125.05945	2.6
125.09627	17.5
129.05479	22.7
129.06972	11.8
131.04948	4.0
131.08588	19.0
133.06479	6.4
133.10143	12.8
135.08046	8.1
135.11690	13.2
135.45108	2.7
137.05959	3.2
137.09564	3.4
138.09120	3.6
143.07117	4.9
145.06529	3.1
145.10144	13.6
147.04387	4.5
147.08055	6.1
147.11699	10.2
149.09686	5.8
153.01794	3.3
153.09088	2.7
153.12727	17.2
157.08612	11.0
157.10028	13.1
161.06059	3.4
161.09567	4.5
163.11174	18.2
165.12744	2.5
167.07005	4.1
171.10199	4.5
173.11761	4.4
175.11198	14.6
181.12184	13.2
184.07362	2.4
189.11188	9.4
190.05058	2.7
191.10658	7.3
193.12248	35.7
199.13300	4.1
200.14256	3.0
201.12733	2.8
204.06487	4.1
209.11780	7.4
211.13252	17.6
219.13789	5.0
227.12885	24.0
229.14333	17.5
247.13268	19.7
249.14984	3.4
267.15939	59.4
269.12793	3.6
283.15359	11.7
285.16919	6.5
287.13843	5.1
301.16489	33.9
321.16925	6.0
325.11584	4.5
383.21826	4.2
401.23004	4.1
421.25815	5.7
439.26517	9.5
457.26053	4.8
459.28140	3.1
461.29349	3.9
475.26935	26.3
493.28021	25.5
611.24890	16.5
643.27606	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	739.114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78609	0.2
53.03946	0.4
53.40052	0.2
55.01868	0.4
56.96566	0.4
59.21268	0.3
65.03941	2.8
67.05523	0.2
68.99790	0.4
69.03439	0.7
69.57415	1.7
70.06611	0.5
78.59886	0.3
79.01855	9.5
81.03425	1.5
81.07050	0.3
81.14980	0.3
85.02909	0.4
91.05533	0.3
96.08103	0.3
97.02913	2.2
105.07028	0.4
107.01323	2.0
109.02886	2.9
111.04448	1.6
119.04898	0.4
121.02872	85.9
122.03201	0.6
123.00819	0.3
125.02361	4.3
125.09663	0.3
126.56075	0.3
127.03925	3.5
131.04955	0.3
131.08334	0.2
137.02342	0.3
137.05928	0.3
143.03406	9.2
147.04440	0.7
151.03882	0.7
153.01834	100.0
153.02913	6.8
154.02173	1.1
161.05966	0.3
161.09636	0.4
167.07085	0.4
173.02342	0.2
177.05467	0.3
191.03427	0.4
205.04958	0.4
219.03229	0.3
233.04472	0.9
247.06007	2.0
261.03943	0.6
275.01828	2.5
277.03348	0.8
279.05035	0.9
287.02472	0.3
287.05551	0.6
633.25818	0.3
657.42419	0.3
739.25726	0.8
751.84131	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.05505	1.8
67.05499	6.3
69.03441	3.1
70.99534	2.3
71.05011	1.7
76.92428	1.2
79.05481	5.5
81.03433	6.1
81.07064	3.9
83.04980	1.8
83.08601	1.8
85.02915	1.6
86.09717	1.3
91.05482	5.1
93.07053	5.5
94.06589	6.1
95.01334	20.3
95.04950	2.0
95.07330	2.1
96.08124	5.6
97.92169	1.5
99.04442	1.6
105.07038	5.4
107.05002	1.6
107.08594	2.5
108.04463	2.0
108.08134	10.3
109.10130	2.1
110.09689	8.1
116.05001	2.3
119.08583	1.8
120.04478	3.3
120.08130	6.9
122.06028	3.7
124.07598	7.0
127.03951	1.5
131.08620	1.5
133.10089	2.6
134.05997	4.0
135.21523	1.4
136.07594	9.9
137.48552	1.3
138.09149	10.0
144.04463	3.9
145.10112	1.7
146.06024	5.1
148.07657	3.1
148.12094	1.3
152.07054	2.7
160.03941	3.5
161.09669	2.7
161.97192	1.2
162.05533	4.5
164.07063	2.2
166.08615	7.1
172.03949	16.0
172.07512	1.7
174.05510	2.8
176.07072	3.1
188.07082	1.4
190.04997	15.9
197.10652	2.1
202.08517	1.7
204.06525	13.3
210.09178	3.7
211.08615	1.5
211.13303	1.4
212.09334	1.5
213.10106	1.3
224.09296	1.4
225.10205	5.3
227.11772	20.2
236.09454	1.5
238.31990	1.3
239.11772	2.9
241.09666	1.4
241.13309	2.6
249.10204	2.7
251.11833	2.7
253.09747	3.8
255.11380	2.3
264.08990	3.7
265.09726	3.1
267.11331	2.7
269.12854	17.3
270.13321	1.4
271.10797	5.8
273.12415	4.8
277.09766	3.5
279.11276	6.5
283.10773	4.2
284.11545	3.4
285.12369	5.1
287.05554	2.0
287.13907	23.1
293.09512	1.7
295.10687	2.2
297.12256	8.6
298.13062	2.0
299.13995	2.8
307.10645	1.8
312.15103	2.8
316.14594	1.8
323.10406	8.5
325.11810	15.3
327.13495	4.1
329.11481	1.3
331.17084	1.5
341.12183	1.2
342.12387	2.8
343.13113	3.8
344.13785	2.7
347.14151	1.6
356.13766	3.9
357.14630	4.4
358.15601	5.6
363.13391	4.2
365.15024	16.2
367.13043	1.9
370.15564	2.6
371.16614	2.8
372.13327	3.6
372.17261	3.9
379.13092	2.0
381.14383	3.0
383.16064	42.2
384.13507	4.0
385.14294	4.5
386.14896	6.1
398.15005	5.2
399.15765	5.9
400.16647	8.1
404.16254	3.2
409.14136	1.9
412.16739	2.6
416.16083	1.6
417.16422	2.2
428.16022	2.0
430.17807	1.7
440.15891	5.3
446.16394	1.7
458.17242	4.3
486.20148	2.0
490.19769	1.6
494.16913	5.0
495.17783	14.0
496.18539	1.5
512.17859	5.0
536.18152	1.5
542.19305	10.0
544.20062	1.6
554.19244	40.1
556.20886	2.1
586.21729	5.7
611.24805	5.6
661.26410	2.5
663.27942	3.8
665.26086	6.0
674.53821	1.5
679.27448	4.3
689.26123	9.1
707.27106	100.0
708.27081	4.2
739.33075	2.7
750.00641	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.3
56.05043	0.8
58.06350	0.2
58.06614	0.4
60.07864	0.3
60.08166	5.2
67.05505	0.6
69.26443	1.5
70.06599	0.2
71.07378	3.1
71.89245	0.2
75.13599	0.2
79.05502	0.4
81.03418	0.3
81.07064	0.7
86.09708	28.9
87.10039	0.2
87.59812	0.1
91.05493	0.2
93.07055	0.2
95.08585	0.4
98.98465	2.8
98.99100	0.2
104.10742	2.2
105.07030	0.3
107.08545	0.1
109.10163	0.2
111.04195	0.4
111.20769	0.1
125.00008	20.5
127.03715	0.6
171.06288	0.2
184.07344	100.0
185.07710	0.6
199.09570	0.3
221.07321	0.1
238.64586	0.2
267.15698	0.2
313.27368	0.3
496.33517	0.2
505.38757	0.3
597.48987	1.2
676.58044	0.2
688.45526	5.9
689.45056	0.5
738.40350	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	738.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83973	0.6
53.03939	2.1
55.05513	9.1
57.03433	1.7
57.07071	1.3
65.03928	1.7
67.05506	33.1
69.07072	9.3
69.45019	4.0
69.45438	1.4
71.04996	1.0
71.08642	0.7
79.05494	17.3
80.04317	0.6
81.07059	28.8
83.04976	0.8
83.08629	3.3
91.05479	8.8
93.07048	18.9
95.04951	1.5
95.08610	21.5
95.09222	1.1
97.06543	1.2
97.10179	1.9
98.06084	3.1
98.20706	1.3
98.98481	0.7
99.08070	0.8
105.04520	0.6
105.07035	7.4
106.95033	0.6
107.08604	9.4
109.10167	7.7
111.08083	0.8
119.08574	3.9
121.10136	6.9
123.11722	2.3
127.41153	0.6
131.08568	2.5
133.10147	2.5
135.11693	4.1
141.91447	0.6
145.10187	1.6
147.11729	2.2
149.13313	1.5
161.13310	1.5
163.14822	0.9
163.33777	0.6
173.13248	0.7
175.14854	1.1
187.14772	0.7
194.11555	0.6
261.22195	1.4
263.23776	1.9
268.52554	0.6
299.23868	0.8
304.26343	13.5
304.29703	0.8
306.27908	16.0
335.25897	6.1
337.27338	9.0
428.91028	0.8
442.50992	0.7
597.48792	100.0
598.49139	6.5
665.67560	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	12.1
55.01872	9.8
55.05518	38.5
57.03442	19.2
59.04988	5.6
61.02921	6.0
62.06013	2.7
67.05162	4.7
67.05509	91.8
69.03439	17.9
69.07077	25.0
69.79459	3.2
71.01364	4.0
71.05006	16.2
71.62061	4.1
72.09879	2.6
73.02929	4.4
75.94365	3.3
79.02763	2.7
79.05496	59.0
81.03419	63.4
81.07063	100.0
83.04996	23.8
83.08614	24.7
85.02907	15.7
85.06533	5.6
87.04452	4.1
88.18299	2.8
91.05490	51.2
93.07055	58.1
95.04984	22.8
95.08619	31.5
97.02885	17.3
97.06544	14.0
97.10203	12.5
98.03677	4.0
99.04451	9.0
99.08093	3.8
102.41864	2.4
105.07041	26.0
107.04958	20.0
107.08595	34.9
109.02881	9.0
109.06527	8.5
109.10168	29.6
110.07320	5.4
111.04443	11.8
111.08079	8.9
117.07023	12.7
119.08593	20.0
119.33565	2.7
121.06506	5.3
121.10175	19.5
121.39130	2.6
122.46809	2.8
123.04430	5.7
123.08083	8.3
123.11687	4.7
125.09653	12.8
127.03902	10.9
129.05458	4.7
129.06993	7.0
131.03416	3.3
131.08578	15.1
133.06416	2.7
133.10135	18.9
135.08052	8.5
135.11687	18.9
137.09613	4.3
142.47583	2.5
143.08517	4.3
145.06424	3.2
145.10123	11.1
147.11696	10.8
149.09624	6.5
149.13274	18.2
151.11143	2.9
153.05490	4.2
153.09068	2.6
153.12750	10.7
157.10121	8.5
159.11708	12.1
163.11234	18.7
165.12724	3.6
173.04440	17.6
173.09589	4.6
173.11781	7.2
175.11217	7.4
181.12222	9.4
183.06390	2.7
184.07326	2.6
191.10724	7.5
193.12196	13.3
195.13861	13.1
199.06082	5.6
199.13301	6.5
209.11716	10.9
211.13248	8.6
227.12761	18.4
229.14363	3.8
265.14352	7.5
267.15903	9.4
269.17487	44.1
273.18478	3.2
283.15503	18.5
292.19772	2.9
316.11905	3.6
406.31860	3.5
411.27051	2.9
423.27429	69.8
424.27304	3.2
449.28931	8.7
459.27155	3.7
477.28577	20.3
478.29202	3.7
492.30652	4.4
495.29669	15.8
550.29706	3.0
639.34467	6.0
748.83472	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	738.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84718	1.5
53.03951	6.2
55.01860	4.7
55.05513	21.1
57.03444	14.3
65.03920	2.6
67.05170	2.1
67.05508	33.9
69.03438	9.8
69.07063	9.6
69.46609	3.6
69.47014	6.8
71.05004	6.8
79.05054	2.2
79.05496	36.7
81.03422	100.0
81.07060	39.4
83.04984	19.7
83.08627	31.2
85.02424	1.6
85.02908	28.7
85.06538	4.0
85.85671	1.5
91.05486	53.9
93.07045	24.5
95.04971	41.6
95.08601	17.3
97.02879	8.6
97.06535	7.3
97.10151	6.4
99.04436	2.9
99.08120	2.1
105.06373	2.7
105.07033	40.4
107.04944	13.5
107.08593	11.9
109.02858	3.3
109.06503	7.8
109.10150	5.3
111.04442	6.2
111.08087	12.5
113.06002	3.2
115.05414	1.6
117.07027	3.1
119.04931	2.2
119.07779	2.1
119.08586	34.4
121.06487	4.7
121.10162	11.1
121.84756	1.5
123.08047	5.9
123.11735	2.5
125.09612	3.1
127.03862	4.0
127.07506	1.4
128.06203	1.7
129.07007	16.1
129.07910	1.9
131.08580	14.5
133.06467	5.3
133.10147	20.3
135.11691	1.8
137.05998	1.9
137.09625	3.1
142.07756	4.2
143.08565	2.1
145.06490	1.7
145.10124	5.5
147.08064	5.8
147.11699	25.1
149.09613	9.2
157.10141	19.9
161.09656	2.2
163.11082	3.5
165.12712	4.9
167.06984	1.8
171.11710	1.6
175.11192	19.5
176.16260	1.3
184.07370	2.8
187.11282	1.6
193.12247	48.6
202.72302	1.3
203.97319	1.4
211.13300	52.9
227.12704	2.3
229.14487	2.6
249.14894	4.2
267.12991	2.9
267.15921	61.8
268.16187	1.9
273.14642	1.9
281.22171	1.4
285.16965	33.8
367.22675	4.9
385.23743	7.0
403.24701	1.6
411.19952	1.5
429.21561	7.6
433.25775	3.6
441.26367	1.8
459.27451	46.4
460.27310	2.3
477.28555	41.7
478.28952	1.6
491.26944	2.2
495.29565	51.1
496.29547	2.0
501.28311	1.7
621.32245	4.0
639.33820	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	736.5333
Annotation	Unknow
Peak:m/z	Relative Intensity
59.77336	1.0
66.92046	1.2
67.05504	1.5
67.35439	1.0
74.09734	2.2
79.05477	1.4
81.07068	1.6
93.07053	1.9
162.82541	1.1
173.13432	1.1
178.29036	1.1
304.26163	1.3
329.58582	1.3
482.30679	1.9
488.95477	1.3
494.22964	1.1
595.47382	2.9
736.53345	100.0
737.53821	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	737.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.3
54.09200	4.6
55.01872	10.7
55.05514	47.2
57.03433	15.8
61.02918	29.1
65.03940	7.1
67.05508	85.9
69.03429	17.6
69.07069	24.6
70.06586	9.8
71.04996	13.5
71.61239	6.2
73.02921	10.1
73.86102	4.8
77.43455	4.7
79.05499	70.4
81.03426	33.9
81.07064	82.4
83.04983	15.4
83.08625	31.6
84.01890	4.4
85.02906	32.8
85.06547	10.4
86.09715	9.0
91.03975	10.7
91.05482	66.9
93.07047	69.8
95.04967	21.2
95.08610	57.2
97.02905	15.2
97.06513	11.4
97.10180	23.2
99.04487	4.7
103.05479	4.9
105.07023	52.1
107.04961	12.5
107.08589	46.4
108.94758	4.6
109.02887	8.7
109.06539	14.3
109.10147	25.4
111.04420	6.1
111.08139	5.9
115.05413	7.3
116.96809	4.0
117.07050	33.7
119.08573	45.6
121.06531	11.4
121.10133	25.4
123.08093	14.1
123.11707	7.5
125.09636	20.1
127.03938	6.0
128.06230	7.4
129.07022	21.9
131.08589	54.8
133.06444	5.9
133.10121	30.2
135.08061	7.1
135.11761	6.5
137.09644	5.5
141.06964	10.9
142.07722	5.3
143.08539	33.6
145.06404	8.0
145.10135	36.8
147.08002	6.1
147.11679	20.3
149.09630	15.3
149.13203	8.7
155.08574	19.9
157.10086	30.3
158.56110	4.9
159.11693	27.9
161.09575	7.3
161.13260	8.5
163.11180	5.4
167.08656	9.3
169.10138	23.4
171.11728	21.1
173.09549	6.1
173.13301	18.8
175.11186	5.8
175.14934	7.1
179.08633	5.2
181.10114	14.1
183.11700	19.7
185.13261	15.3
187.11287	4.7
189.11273	14.7
191.10594	4.6
193.12253	11.0
195.11687	14.7
197.13313	12.3
199.14842	7.0
205.35352	4.7
207.11592	5.8
209.13214	11.3
209.48427	4.4
211.13301	10.9
223.14728	5.8
225.16284	4.7
227.12738	12.0
259.20444	6.2
267.15909	10.2
273.18481	10.5
291.19690	21.0
297.21674	5.8
299.23721	13.6
325.21497	7.0
351.23508	5.1
365.22937	9.3
421.25931	5.6
433.31039	22.3
443.28070	12.7
451.32138	16.5
469.33371	11.4
507.34555	10.7
517.35291	18.2
525.35706	87.6
526.36414	5.6
543.29254	7.9
543.36865	100.0
557.38428	24.4
575.39874	30.5
687.40894	6.9
719.40277	13.4
737.43579	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	736.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.6
55.05257	0.6
55.05510	8.4
57.03427	1.5
57.07064	1.3
65.03930	1.0
67.05505	28.6
68.05843	0.6
69.03447	0.8
69.06721	0.5
69.07069	7.8
70.66222	1.3
71.04977	1.1
72.08170	0.5
74.06075	1.1
74.09326	0.9
74.09718	11.7
74.48889	0.5
77.03905	0.8
79.05493	28.6
81.07057	26.2
83.04987	1.6
83.08598	2.8
91.05479	16.9
93.07046	35.4
95.04957	2.7
95.08604	21.9
95.09231	0.7
97.06534	1.8
97.10164	1.3
98.06049	1.3
105.04527	1.3
105.07033	8.6
107.08593	14.9
109.06477	0.8
109.10160	6.4
117.07013	4.0
119.08578	7.3
121.10139	13.1
123.08052	0.6
123.11714	1.8
131.08560	5.9
132.30304	0.5
133.10124	5.3
135.11691	7.2
144.93579	0.5
145.10156	3.3
147.11693	2.4
149.13272	2.8
159.11737	1.9
161.13278	1.8
163.14801	0.8
173.13254	1.8
175.14868	0.9
243.20999	0.7
261.22223	2.4
304.26352	8.5
306.27881	1.1
317.24893	1.0
327.08020	0.7
335.25797	4.2
585.74591	0.5
595.47205	100.0
596.47571	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	733.413
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57917	1.0
53.03916	1.3
55.05500	1.9
57.03441	2.0
60.08163	2.3
61.02923	5.5
67.05502	8.4
69.03423	3.9
69.07068	1.2
71.61487	1.2
73.02911	4.2
79.05483	4.6
81.03397	1.8
81.07056	8.2
83.04958	1.1
83.08653	1.1
85.02901	6.7
86.09714	11.0
87.10052	1.0
89.06062	1.2
91.03967	2.7
91.05477	2.8
93.07048	5.0
95.08622	4.4
97.02900	3.9
101.02357	2.2
105.07042	3.7
107.08595	3.3
109.10168	3.3
121.10131	2.2
123.52048	0.8
124.99993	6.2
127.03960	1.2
131.08618	1.2
132.79872	1.0
133.10120	3.0
148.19131	1.0
184.07349	29.4
185.07660	4.6
237.11038	2.3
243.08472	2.2
255.10806	1.1
288.16571	1.0
295.84628	1.0
323.37119	1.0
335.25571	1.8
455.18799	5.2
519.29340	8.7
532.48944	1.1
733.41229	100.0
734.41815	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	736.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	9.2
54.32305	2.1
55.01868	13.4
55.05510	25.0
57.03440	17.9
57.07060	2.3
59.05026	4.1
61.02903	3.5
65.03938	2.5
65.71504	2.1
67.05157	3.8
67.05505	52.9
69.03432	14.1
69.07078	12.7
71.04990	7.6
76.93044	2.6
78.25605	2.3
79.05493	43.6
81.03420	99.0
81.07057	41.3
83.01336	7.0
83.04975	25.6
83.08626	31.0
84.53417	2.5
85.02912	20.6
85.06499	2.3
86.09692	2.8
91.05487	42.8
93.07045	42.0
93.38632	2.4
95.04966	33.7
95.08602	18.3
97.02889	14.6
97.06549	8.5
97.10174	7.1
99.04446	6.8
99.06231	2.3
105.07040	30.1
107.04956	24.5
107.08607	21.3
109.02859	8.1
109.06522	13.1
109.10165	13.6
111.04445	7.4
111.08083	10.4
113.06009	3.3
115.05498	5.2
117.07034	11.3
117.58233	2.3
119.04968	4.2
119.08582	24.8
121.06492	5.9
121.10172	12.8
123.04447	2.8
123.08060	7.7
123.11717	4.0
125.05993	3.5
125.09605	6.1
127.03925	8.0
128.06203	4.0
129.07001	15.5
131.04932	8.4
131.08571	14.8
133.06470	4.9
133.10109	12.9
135.08058	4.8
135.11700	12.5
137.05986	10.7
137.09586	5.9
141.06982	8.3
142.07780	3.2
145.10124	16.5
147.08031	5.8
147.11652	12.9
149.09630	8.5
151.07559	10.1
153.06885	3.4
153.12762	4.4
157.10178	12.5
158.99594	2.7
161.09686	3.2
163.07552	5.4
163.11200	20.9
165.12756	4.1
171.11678	2.3
173.09676	3.7
173.11719	3.4
175.11240	12.1
177.09161	4.3
181.12268	4.7
184.07390	5.6
187.07498	2.6
189.09023	3.5
189.11174	3.3
191.10709	5.8
193.12228	26.3
197.05885	21.8
209.11847	5.5
211.13306	31.9
215.07072	3.2
223.13289	7.0
227.10802	4.0
227.12788	10.7
229.12366	3.1
229.14372	17.9
249.14876	2.6
265.14407	6.9
267.15930	37.9
283.15427	24.6
285.16922	16.8
287.12958	2.7
297.16864	5.1
313.14203	4.1
331.15448	9.1
359.11246	4.0
383.22131	5.2
421.25882	13.9
427.19705	14.1
457.25784	10.5
461.28989	3.4
475.26950	28.9
489.28329	13.0
493.27966	100.0
494.28485	3.5
619.30908	5.3
637.32245	29.9
655.32526	2.6
769.95508	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	733.3916
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
61.02902	0.7
65.22276	0.6
65.39783	0.7
67.05470	1.1
69.36998	2.2
69.37416	4.1
74.13597	0.7
79.05495	0.9
81.07056	1.1
83.08600	0.9
86.09695	1.1
91.03951	0.7
91.05473	1.0
93.07063	0.8
98.21427	1.2
105.07025	1.4
109.10188	0.8
119.08588	0.8
121.10146	0.9
125.00014	1.4
157.99648	0.7
184.07343	4.0
278.91092	0.7
291.32300	0.8
304.64600	0.7
311.51599	0.7
512.51862	0.8
535.26282	0.8
733.39087	100.0
734.39417	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	733.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55421	0.6
53.03949	0.6
55.05521	1.1
57.03434	1.6
61.02934	4.2
67.05518	4.9
69.03427	2.6
69.07059	1.7
71.04997	0.9
71.61189	0.5
73.02927	2.7
77.03002	0.6
79.05505	4.0
81.03409	2.0
81.07063	3.7
83.04989	1.3
85.02917	3.3
91.03951	2.9
91.05515	3.6
93.07047	6.2
95.04975	0.7
95.08614	2.0
95.09242	0.7
97.02910	3.4
99.04459	1.3
101.02385	1.8
105.07037	3.3
105.89404	0.7
107.08622	2.8
109.02943	0.7
117.07052	1.2
119.08593	1.7
121.10152	1.6
127.03925	1.6
131.08623	0.7
133.10149	1.9
135.11691	3.9
145.10164	1.4
147.11661	0.8
161.13261	0.6
184.07329	0.9
185.04254	0.7
189.69551	0.6
221.11580	1.6
243.08475	3.0
255.15950	0.8
301.09030	0.8
313.08865	1.0
317.20941	0.7
333.24377	0.6
416.98831	0.7
439.19412	9.0
439.25113	0.8
511.21640	1.6
535.28668	4.3
571.36536	0.7
595.30432	0.8
733.41339	100.0
734.41772	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	732.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
53.60477	0.3
60.08154	0.9
63.02803	0.3
66.40244	0.3
67.05501	0.5
69.26402	3.1
71.07356	0.4
73.06551	0.6
74.02811	0.3
76.71827	0.4
77.03930	0.3
79.05495	5.3
81.07058	0.7
86.09705	4.9
87.04471	4.1
89.06032	25.8
91.05477	2.8
93.07040	1.8
95.04961	1.6
95.08611	0.5
103.05471	4.3
104.10727	0.4
105.07030	100.0
106.07370	1.1
107.07072	0.7
117.07063	0.5
119.04959	0.8
119.08574	0.8
120.78678	0.4
121.06511	8.8
125.00008	3.2
129.06984	0.9
130.08644	0.6
131.07039	1.3
131.08551	3.9
133.08606	20.7
141.06914	0.4
147.08064	2.4
149.09615	0.7
164.47707	0.3
165.09122	1.9
173.09627	0.5
177.11218	7.6
177.12657	0.6
184.07336	17.8
207.11862	0.3
209.11679	1.1
209.13365	0.4
211.13362	0.4
219.12247	0.4
221.13806	1.6
225.10571	0.7
225.12709	6.1
227.12730	0.5
249.12840	0.5
251.14322	4.7
253.16106	0.9
269.15353	4.2
271.15448	0.6
313.17950	2.9
315.18130	1.4
327.17188	0.8
329.18988	3.6
357.20160	0.3
359.20657	0.7
373.21506	2.5
401.23007	0.6
403.23300	5.6
419.24176	0.7
419.83215	0.4
463.26877	1.2
477.27936	0.7
507.29553	12.8
508.29733	0.5
533.94934	0.4
555.68738	0.4
611.35675	2.5
732.43671	2.4
733.41425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.05514	0.8
57.03434	1.9
57.07079	0.4
61.02933	5.5
67.05510	5.7
69.03429	3.6
69.07072	1.2
70.84240	0.6
70.84550	0.6
71.01376	0.8
71.04985	0.7
73.02911	4.2
79.05489	3.7
81.03427	1.8
81.07059	6.0
83.08649	0.6
85.02908	5.1
85.06583	0.5
87.04465	0.5
91.03965	3.1
91.05481	1.6
93.07050	5.2
95.04981	0.5
95.08619	3.8
97.02897	4.8
97.06567	0.7
99.04482	1.2
101.02379	2.1
103.03986	0.7
105.07054	1.0
107.08607	2.9
109.02882	0.8
109.10162	0.8
117.07023	0.5
119.08588	0.6
121.10153	1.8
127.03936	1.5
133.10138	0.9
135.11685	0.6
147.11693	0.5
149.13264	2.2
159.11690	0.8
183.06502	0.5
183.46371	0.4
185.04359	0.6
203.05315	0.5
235.13130	1.1
243.08421	2.9
269.17297	0.6
275.74854	0.4
335.25900	0.5
453.21039	7.8
519.29498	5.3
684.87665	0.5
731.43427	100.0
732.43915	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	732.4465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.01864	0.5
55.05514	0.6
57.37381	0.4
59.04999	0.6
60.08169	2.0
61.02923	0.5
67.05503	1.0
71.07364	0.8
71.61912	0.7
73.06544	0.6
74.22940	0.4
77.03918	0.7
79.05498	5.0
80.91951	0.4
81.07059	0.7
86.09712	13.3
87.04471	3.8
89.06034	25.5
91.05489	3.0
93.07058	1.2
95.04980	2.9
95.08604	1.2
96.08890	0.4
98.98473	1.8
103.05478	4.5
104.10757	1.0
105.07034	100.0
106.07378	0.9
107.07122	0.6
109.10212	0.5
117.07011	0.5
119.08598	0.6
121.06512	8.1
121.10123	0.5
125.00016	8.3
129.07022	1.0
130.08693	0.6
131.07065	1.5
131.08569	3.3
133.08607	18.8
133.10109	0.9
137.23116	0.4
147.08035	2.5
149.09641	0.6
155.08572	0.4
165.09087	2.0
166.07849	0.6
173.09717	0.5
175.09680	1.1
177.11227	7.6
184.07343	43.3
191.10663	0.4
200.03163	0.4
209.11702	0.9
209.13454	0.5
211.13429	0.5
212.44562	0.4
221.13910	1.7
223.11250	1.3
225.12729	6.6
239.14859	0.4
251.14319	4.9
253.15877	1.3
269.15384	3.7
271.15396	0.7
283.17557	0.6
295.17026	0.6
313.17932	3.0
315.18060	1.1
327.17477	1.1
329.18942	3.5
359.20645	0.9
373.21539	2.4
403.23233	4.4
419.24213	0.9
463.26898	1.1
477.27881	1.3
507.29584	13.3
508.29648	0.5
611.35406	2.6
732.45880	3.1
733.41547	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05504	1.6
57.03429	1.6
61.02634	0.6
61.02927	5.6
67.05505	5.9
69.03438	3.1
69.07070	1.3
69.31786	1.5
69.32208	2.6
69.43914	0.4
71.01357	0.6
73.02920	4.1
73.99120	0.5
76.28703	0.4
76.97752	0.5
77.40054	0.4
79.05487	4.2
79.38032	0.5
81.03427	1.6
81.07054	6.6
83.04996	0.6
83.08617	1.5
85.02908	6.0
91.03946	3.2
91.05492	2.1
93.07043	4.8
95.04992	0.5
95.08623	2.7
97.02882	3.8
99.04449	1.0
101.02386	1.9
105.06980	1.1
107.08585	2.3
109.02920	0.7
109.10135	0.7
115.03978	0.5
117.07036	0.7
121.10172	1.4
127.03946	1.8
131.02353	0.5
131.08586	0.9
133.10124	0.9
135.11699	1.1
145.05180	0.4
149.13277	1.3
159.11766	0.5
195.13875	0.9
221.40450	0.5
231.63387	0.4
235.13026	0.7
243.04291	0.5
243.08478	1.9
333.92377	0.5
453.20920	7.8
519.29370	5.0
731.43408	100.0
732.43750	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	730.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.2
56.05028	0.8
57.11648	0.1
58.06625	0.5
59.07405	0.1
60.08162	6.7
67.05488	0.4
69.38428	0.8
71.07372	3.6
74.40702	0.1
75.30576	0.1
79.05491	0.2
81.07053	0.4
86.09704	31.0
87.09525	0.1
87.10033	0.2
91.05479	0.2
93.07038	0.2
95.04974	0.1
95.08611	0.3
98.20784	0.2
98.98463	3.6
103.93821	0.1
104.10741	2.5
105.06998	0.2
109.10172	0.1
119.08556	0.2
125.00002	21.4
143.01064	0.2
184.07335	100.0
185.07729	0.6
204.91403	0.1
285.71545	0.1
429.92242	0.1
468.23492	0.1
505.70966	0.1
536.12262	0.1
730.46539	3.2
731.46844	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.2
56.05037	0.8
58.06622	0.5
60.08166	6.6
67.05503	0.6
69.07064	0.1
70.06564	0.1
70.65489	0.3
71.07375	3.8
79.05482	0.3
80.97437	0.2
81.07055	0.6
86.09708	34.9
87.10036	0.1
91.05475	0.3
93.07039	0.5
95.08587	0.4
98.98470	3.8
104.10745	2.7
105.07022	0.2
107.08578	0.2
109.10147	0.2
119.08596	0.2
121.10143	0.2
125.00007	23.9
126.00338	0.1
130.34695	0.1
133.10143	0.2
135.11723	0.2
143.01074	0.3
163.01616	0.1
166.02687	0.1
184.07346	100.0
185.07719	0.6
195.76753	0.1
319.76755	0.1
324.54514	0.1
335.25928	0.1
359.52484	0.1
391.24774	0.1
489.35684	0.3
520.34222	0.2
730.46588	4.8
731.46588	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.4
57.03440	4.5
57.07097	1.3
61.02930	6.1
67.05499	13.2
69.03432	3.3
69.07076	4.6
69.41080	4.6
69.41509	7.1
73.02934	4.3
76.77481	1.3
79.05497	6.2
80.91325	1.5
81.07059	12.7
83.08638	2.3
85.02914	4.8
91.03978	4.4
91.05495	4.3
93.07025	7.2
95.04970	3.3
95.08614	8.3
97.02909	5.4
98.21476	2.6
101.49305	1.3
101.74185	1.2
105.07034	3.7
107.08615	3.9
109.10158	4.4
117.07037	1.8
119.08574	2.5
121.10126	2.3
126.70415	1.5
128.33522	1.5
133.10167	2.0
135.11678	1.5
149.13335	1.3
156.37828	1.4
184.07310	3.0
190.25668	1.3
242.40904	1.3
243.08321	3.1
247.41371	1.5
260.17047	1.5
269.17563	4.9
270.17889	4.5
315.17743	1.3
337.27454	5.2
338.27887	5.6
342.53171	1.4
355.61191	1.4
389.91824	1.5
451.19284	8.8
519.29541	4.7
531.40857	1.7
532.40875	10.2
718.45209	1.7
729.41809	100.0
730.42181	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
55.05501	0.8
57.03430	1.8
61.02924	3.7
67.05506	2.0
69.03436	2.7
69.07079	0.4
71.05000	1.8
73.02912	2.9
73.28934	0.3
79.05475	3.0
80.25075	0.4
83.04982	1.3
83.08608	1.5
85.02905	5.0
87.04489	0.6
91.03955	1.9
91.05483	3.8
93.07043	2.1
93.95186	0.4
95.04964	1.4
95.08613	1.3
97.02901	3.9
97.06517	0.7
98.20753	0.8
99.04462	0.9
101.02360	1.0
105.07014	2.4
107.04974	0.7
107.08626	0.9
109.02880	1.0
109.06513	0.5
109.10115	0.5
110.97005	0.4
111.08091	0.5
115.03901	0.5
119.08585	2.0
121.10155	2.0
123.11719	0.5
127.03941	1.1
127.12804	0.4
129.07033	1.3
131.08585	1.9
133.10136	1.7
145.91223	0.4
147.11693	2.3
149.09625	1.6
157.10167	1.5
175.11261	1.6
179.57813	0.4
185.04214	0.4
193.12207	2.0
203.05309	0.5
211.13367	0.7
240.23134	0.5
243.08417	2.5
251.12653	1.4
255.15991	0.4
267.15921	0.9
283.15103	3.2
339.17914	0.8
469.20496	8.5
501.23114	9.4
567.31342	0.7
729.36664	100.0
730.37177	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	729.4031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
55.05513	0.9
57.03425	1.3
61.02929	5.2
63.16835	0.6
65.53004	0.5
67.05508	5.0
69.03429	2.2
69.07070	0.7
71.04997	5.8
71.30501	1.2
73.02926	2.5
79.05503	2.5
85.02916	4.0
85.06551	0.7
91.03957	2.8
91.05498	3.8
93.07051	2.9
95.08620	1.8
97.02904	4.5
97.06499	0.8
97.10238	0.5
101.02408	0.9
105.07043	2.2
107.08603	2.3
109.02912	0.9
109.10162	1.0
111.29047	0.6
112.27049	0.7
117.07062	0.7
121.10164	1.1
123.11738	2.0
127.03977	1.4
131.08569	1.2
133.10118	3.3
135.11748	1.0
149.13338	1.2
151.11198	1.3
159.11743	1.5
184.07289	0.7
185.04344	0.6
187.13336	1.1
243.08470	2.3
257.17569	1.5
267.15576	2.7
323.18411	0.9
337.15869	0.6
353.68851	0.6
453.20920	0.9
485.23654	14.4
729.40326	100.0
730.40656	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	728.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.6
53.27611	2.8
55.05281	3.3
55.05513	26.6
57.03423	10.5
57.07062	4.9
61.02904	5.5
65.06873	2.8
67.05164	4.4
67.05508	65.1
69.03427	2.8
69.07069	26.0
70.13573	5.0
70.13963	6.5
71.05005	3.3
71.08601	2.8
79.05491	26.7
81.07060	73.5
83.04984	3.1
83.08619	18.7
85.02901	6.3
85.06521	7.3
86.09697	3.0
91.05473	16.1
93.07044	39.9
95.04967	5.2
95.08607	95.6
97.06527	8.6
97.10161	6.3
99.08092	3.1
105.07038	11.8
107.08598	18.5
109.10156	30.4
119.08570	10.5
121.10110	16.6
123.11742	4.0
131.08574	7.9
133.10129	11.6
135.11688	10.7
137.13229	4.1
145.10123	6.4
147.11713	4.5
149.13213	3.1
159.11714	4.7
161.13313	19.7
179.14313	10.3
184.07329	9.5
197.15540	2.7
215.16348	2.6
252.28816	2.4
261.22128	10.6
269.17529	5.2
271.19043	100.0
335.25815	91.7
336.26474	3.4
378.81610	3.2
531.40430	80.8
647.94385	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	728.4579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01875	4.0
55.05513	7.7
57.03428	6.0
57.07067	3.7
60.08156	2.8
67.05507	47.2
69.07079	11.5
69.35638	1.5
69.51727	7.1
69.52144	3.4
71.04987	3.7
71.07359	1.6
73.06552	1.8
73.65656	1.4
79.05110	1.9
79.05501	22.6
81.03405	4.0
81.07063	41.0
83.04977	6.1
83.08611	4.9
85.02904	1.7
85.06541	4.2
86.09708	17.2
89.06032	3.9
91.05491	29.1
93.07063	29.1
95.04951	4.4
95.08111	1.8
95.08619	19.2
97.06525	3.1
97.10174	1.9
98.21464	2.8
98.98473	1.5
99.04473	1.5
99.08096	1.5
104.10721	1.7
105.04513	1.4
105.06367	2.9
105.07034	41.2
106.07336	1.8
107.07870	2.3
107.08596	31.9
109.06515	4.3
109.09443	3.0
109.10166	41.8
113.06003	3.0
117.07034	2.7
119.08611	7.0
120.34300	1.4
121.10143	9.2
123.11735	7.0
125.00003	8.8
125.09599	2.9
127.07516	2.7
131.08554	5.5
133.10141	44.0
135.11679	7.2
145.10107	4.0
146.98132	3.3
147.11690	1.9
149.13232	2.5
151.11195	23.1
161.13191	1.6
169.12279	3.9
179.10579	1.7
184.05728	3.1
184.07355	45.6
215.12798	2.1
243.21109	2.5
253.14365	100.0
261.22104	10.8
271.15433	29.9
317.24557	2.4
335.25787	50.5
335.29825	2.7
336.26318	1.8
439.31625	2.5
457.33276	2.2
513.35620	5.7
531.36835	43.9
532.36804	3.6
545.38208	7.5
669.37671	7.1
728.44012	5.3
752.92999	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05469	0.1
56.05034	0.8
58.06373	0.1
58.06628	0.4
60.08167	6.2
67.05497	0.3
70.06593	0.2
71.07379	3.8
75.83662	0.1
79.05469	0.1
80.97467	0.1
81.07101	0.1
86.09707	31.6
87.10027	0.3
88.53715	0.1
91.05506	0.3
95.08611	0.2
98.98471	4.0
104.10749	2.4
105.07034	0.2
107.08572	0.1
119.08587	0.2
121.10114	0.1
125.00008	22.2
166.02608	0.2
184.07344	100.0
185.07675	0.9
336.00525	0.1
468.23492	0.2
545.92853	0.1
561.53064	0.1
660.04059	0.1
728.45026	3.3
729.44244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	0.1
56.05038	0.8
58.06320	0.2
58.06626	0.5
59.07396	0.1
60.08167	6.4
67.05505	0.2
69.44772	0.7
70.06600	0.1
71.07378	3.7
75.82654	0.1
79.05489	0.3
81.07052	0.3
86.09710	33.3
87.10049	0.3
91.05476	0.3
93.07052	0.3
95.08630	0.2
98.98469	4.1
98.99111	0.2
102.35846	0.1
104.10751	2.7
105.07030	0.2
107.08619	0.2
119.08578	0.2
121.10152	0.1
125.00008	22.6
126.00294	0.1
143.01053	0.2
166.02768	0.1
184.07349	100.0
185.07677	0.9
249.64957	0.1
437.89706	0.1
518.32605	0.3
728.45001	3.8
729.44794	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05513	10.3
57.03443	8.1
57.17581	1.8
59.32747	1.7
60.08169	2.2
61.82142	1.8
61.85966	2.2
67.05508	43.7
69.07060	11.9
71.04989	3.2
71.62049	2.5
79.05490	23.2
81.03423	5.1
81.07060	40.9
83.04977	6.1
83.08630	2.9
85.02924	4.0
85.06551	4.2
86.09725	10.4
90.54569	1.9
91.05489	25.9
92.07378	1.8
93.07046	26.0
95.04958	6.0
95.08612	15.5
97.06600	1.9
105.07046	29.2
107.08591	25.8
108.83556	1.8
109.06548	3.3
109.10165	37.5
113.06014	2.6
117.07037	4.2
119.08578	8.6
121.10152	7.2
123.11709	10.7
125.00015	7.0
127.07609	2.5
131.08582	8.0
133.08638	2.3
133.10132	45.0
135.11697	5.1
145.10101	4.2
147.15952	2.0
149.13261	3.0
151.11205	21.3
151.79094	2.3
159.11761	3.2
161.09785	2.2
161.13271	2.9
169.12228	4.9
173.13235	3.3
184.07346	32.6
195.28676	1.9
213.51311	1.9
220.95323	2.1
227.26596	2.0
243.21088	4.6
253.14351	100.0
254.14703	3.2
261.22119	12.1
271.15402	34.1
317.24808	2.3
331.14722	1.8
335.25772	35.1
443.99814	1.9
457.32889	2.3
513.35602	6.9
528.85474	2.4
531.36865	32.1
728.44788	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	727.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.5
55.01884	0.6
55.05512	1.6
55.29883	0.4
57.03452	1.9
57.39040	0.4
59.04999	0.5
60.08171	0.5
61.02931	4.8
67.05511	2.4
69.03426	2.7
69.07069	1.0
71.01352	0.9
71.04990	1.7
71.09750	0.6
71.10091	0.6
73.02924	3.2
79.05495	3.0
81.03419	4.9
81.07060	3.6
81.23056	0.4
83.01357	0.7
83.04985	1.4
83.08612	1.6
85.02904	5.5
86.09718	1.3
87.04475	0.5
91.03970	2.5
91.05476	3.0
93.07037	2.9
95.04993	1.6
95.08624	1.6
97.02905	5.4
97.06560	0.7
97.10165	0.4
99.04449	0.7
101.02389	1.8
105.07036	1.8
107.04970	1.1
107.08591	2.2
109.02917	1.1
109.10189	0.8
111.04459	0.6
111.08112	0.5
117.07017	0.8
119.08597	1.7
121.06458	0.4
121.10153	2.2
122.81776	0.4
123.08070	1.0
125.00015	1.2
125.39986	0.5
127.03918	1.8
129.07043	0.6
131.08591	1.3
133.10144	1.0
135.11726	1.2
137.09702	0.5
145.10153	1.2
147.11684	1.1
149.09671	1.7
157.10155	1.0
163.11205	2.2
175.11157	0.8
184.07335	4.2
185.07735	0.8
186.48239	0.5
193.12289	1.5
199.95961	0.4
209.11835	0.5
211.13338	0.5
216.79173	0.4
225.14954	0.6
231.77948	0.4
243.08414	2.7
267.15985	1.1
283.15170	4.7
291.28210	0.4
321.34552	0.5
332.30334	0.4
339.17801	0.8
447.27283	0.7
448.27798	1.1
462.29236	0.5
467.18948	7.5
468.19479	0.4
501.23145	9.6
565.30023	0.5
687.47107	0.5
727.35107	100.0
728.35211	4.0
748.35706	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	726.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	1.2
51.36404	1.0
53.03944	2.3
55.05518	15.4
57.03439	11.5
57.07074	1.6
59.11370	1.0
60.81833	1.0
61.02908	3.1
65.03934	2.5
67.05508	61.0
69.07074	17.9
69.35031	9.9
71.04999	2.9
76.51626	0.9
79.05057	2.2
79.05501	42.0
81.03409	2.1
81.07063	68.2
83.04966	3.9
83.08624	12.5
85.02888	2.6
85.06533	4.4
91.05481	20.1
93.07049	59.1
95.04943	3.2
95.08611	33.1
97.06532	7.9
97.10179	1.9
99.08081	3.8
105.04484	1.4
105.07039	11.4
107.08601	30.3
109.06508	2.1
109.10170	10.7
111.08071	5.1
117.07046	8.6
119.08582	8.8
121.06490	2.1
121.10152	22.9
123.08053	1.3
123.11694	4.9
129.04880	1.0
131.08589	11.4
133.10130	9.2
135.08061	1.0
135.11702	11.1
137.13199	1.1
139.11195	1.3
145.10112	4.4
147.11691	3.1
149.13268	25.0
159.11710	12.9
161.13222	3.0
163.14799	1.1
173.13214	2.7
177.12697	3.6
181.17647	0.9
184.07269	1.3
187.14796	1.6
195.13800	10.9
213.14833	1.1
243.21117	4.4
259.20490	1.1
261.22217	9.6
267.15976	2.4
269.17487	76.2
270.17715	1.3
297.93463	1.3
304.59634	1.0
317.24792	2.7
335.25827	55.3
336.25989	1.6
350.42975	1.0
358.64612	1.0
437.34183	1.9
529.38910	100.0
530.39197	6.1
726.44580	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	726.4337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05031	0.8
58.06604	0.4
60.08167	6.2
67.05511	0.5
69.07071	0.3
69.60374	1.2
71.07375	3.6
76.94721	0.2
79.05494	0.5
81.03410	0.3
81.07059	0.4
82.42381	0.2
86.09708	32.9
87.10033	0.5
91.05487	0.3
93.07074	0.3
95.08613	0.4
98.21629	0.2
98.65678	0.2
98.98465	3.8
104.10760	2.3
105.07031	0.4
107.08547	0.2
121.10167	0.2
125.00008	22.6
152.37465	0.2
163.11237	0.3
184.07346	100.0
185.07784	1.3
186.07805	0.2
292.59235	0.2
362.45694	0.2
445.85034	0.2
462.32050	0.2
539.72845	0.2
659.97736	0.2
726.43414	2.8
727.43237	0.4
729.95374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.3
55.01870	2.0
55.05517	18.1
57.03441	11.3
57.07090	2.4
57.87363	1.0
58.13754	1.0
61.02927	5.1
65.03944	3.8
67.05506	72.4
68.22993	0.9
69.03431	1.3
69.07074	19.7
71.04998	3.1
74.94749	1.1
79.05496	48.5
81.03419	2.9
81.07059	82.1
83.04993	3.6
83.08618	12.1
85.02913	4.2
85.06546	2.5
91.03935	1.6
91.05486	27.0
93.07050	60.2
95.04962	3.9
95.08612	40.2
95.09229	2.0
97.02888	2.3
97.06516	7.0
97.10202	1.6
98.20783	2.7
99.08074	2.0
105.07028	13.5
107.04973	1.1
107.08596	31.9
109.06522	2.6
109.10163	15.2
111.08076	3.4
117.07026	8.5
119.08570	8.4
121.06446	1.2
121.10150	19.2
123.11705	7.3
131.08565	12.4
133.10133	17.6
135.08037	2.0
135.11699	14.3
137.03468	1.0
137.13277	1.8
145.10144	5.8
147.11682	5.7
149.13271	14.4
151.11230	1.7
159.11688	9.0
161.13281	3.7
163.14851	3.0
165.12653	1.1
167.14409	1.0
173.13289	3.7
177.12758	2.6
185.13248	1.1
195.13812	13.3
213.14751	1.5
243.21135	3.8
253.17705	1.1
261.22159	11.7
269.17490	75.7
270.17859	2.0
272.12833	0.9
317.24680	3.0
335.25809	96.3
336.26157	3.6
437.34564	2.3
455.35339	1.8
529.38916	100.0
530.39032	6.5
547.39532	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05024	0.7
58.06366	0.1
58.06608	0.4
60.08165	6.8
62.64114	0.1
67.05495	0.4
69.93979	0.8
71.07021	0.1
71.07372	3.0
75.69666	0.1
79.05479	0.3
81.07063	0.3
81.52351	0.1
86.09705	29.1
87.10030	0.2
91.05492	0.3
93.07044	0.4
95.97948	0.2
98.98461	3.3
104.10745	2.1
105.07051	0.2
107.08595	0.2
111.94517	0.1
121.10199	0.2
125.00005	20.6
150.69572	0.2
182.58366	0.1
184.07338	100.0
185.07619	0.9
203.64665	0.1
254.29089	0.1
466.22198	0.2
473.56174	0.2
726.43402	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	726.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01859	3.3
55.05523	9.5
56.10854	1.3
57.03443	6.5
59.04993	1.9
61.02928	2.8
65.03967	1.9
66.22518	1.2
67.05505	39.2
69.03420	3.1
69.07053	6.5
71.04678	1.6
71.05000	14.7
71.61840	1.4
78.74009	1.2
79.05499	16.9
81.03419	33.7
81.07059	22.7
82.03795	1.6
83.04982	6.2
83.08624	11.0
85.02908	2.6
85.06539	3.4
86.09721	1.9
91.05486	20.2
93.07050	17.3
95.04971	16.6
95.08611	12.9
97.02872	2.6
97.06518	3.3
97.10175	3.6
105.07030	13.6
107.04963	8.5
107.08598	12.3
109.02902	1.6
109.06518	9.2
109.10158	26.8
111.08083	3.5
117.06994	6.1
119.08572	11.4
121.06500	9.5
121.10143	8.4
123.08086	3.6
123.11723	1.8
125.09609	4.2
127.03986	1.2
129.07024	5.7
131.04939	2.1
131.08563	7.3
133.06531	2.8
133.10127	7.0
135.08067	4.3
135.11688	4.9
137.05983	1.5
137.09598	4.9
143.08577	2.8
145.06444	2.2
145.10136	5.3
146.50700	1.2
147.08086	2.5
147.11713	6.4
149.09615	4.2
151.11275	1.4
157.10118	4.7
159.11705	2.7
161.09622	2.8
163.11194	5.6
165.12669	1.9
173.11763	3.8
173.13208	2.4
175.11201	5.5
177.12766	1.8
181.12192	1.8
184.96570	1.4
185.09544	1.3
185.13242	1.8
189.09152	1.5
191.14270	2.5
193.12273	10.3
201.12878	1.8
201.66243	1.2
203.10576	1.7
203.14278	2.4
211.13202	1.7
217.15843	1.3
219.13834	4.7
249.84816	1.2
255.16014	2.3
267.15894	14.6
268.16187	2.7
269.17545	1.9
285.16879	1.8
287.18671	4.3
295.05292	1.5
329.21173	4.4
337.21802	1.5
355.22739	4.0
355.27527	1.6
357.24188	1.9
403.24777	4.0
421.25778	13.0
423.61487	1.6
429.26520	9.8
447.27432	100.0
448.27808	3.3
461.29056	7.2
479.30026	8.3
511.32349	2.5
726.32635	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30323	1.9
53.03942	6.8
55.01871	2.6
55.05513	20.2
56.56575	1.5
56.56927	1.6
57.03437	18.9
57.07072	2.6
57.65394	1.7
60.74809	1.7
61.02922	5.0
65.03954	3.5
65.66445	1.6
67.05157	3.7
67.05508	59.9
69.03439	3.7
69.07080	11.9
70.19449	8.5
71.03032	1.5
71.05001	3.6
79.05495	41.9
81.03422	89.6
81.03906	4.4
81.07063	64.7
83.04980	3.5
83.08630	20.3
85.02904	3.6
91.05485	37.8
93.07050	43.7
95.04974	28.8
95.08607	45.7
97.02898	2.9
97.06520	5.2
97.10163	5.1
97.30768	1.7
97.69646	1.5
98.21471	2.2
105.07035	28.3
107.04964	6.2
107.08600	24.8
109.06548	4.3
109.10167	19.5
111.04474	2.1
111.08089	6.4
115.05471	2.5
117.07026	4.8
119.08583	24.7
121.06479	2.2
121.10153	20.4
123.08045	1.7
123.11707	5.7
125.09658	4.2
128.06216	2.3
129.07008	10.0
130.07729	2.0
131.08557	18.4
133.06494	3.6
133.10110	12.8
135.11682	10.5
137.13232	2.8
142.07779	2.1
143.08614	3.3
145.10135	7.7
147.08035	5.2
147.11690	14.2
149.09616	4.9
149.13292	5.2
157.10141	8.5
159.08076	1.9
159.11732	5.8
161.13275	4.8
163.11223	3.7
163.14877	3.5
165.12701	2.9
171.11647	2.4
173.13263	4.8
175.11198	7.9
175.14803	1.9
184.07382	2.9
193.12248	20.6
197.13220	1.8
211.13269	2.0
227.12837	3.6
235.13330	2.9
235.57759	1.8
243.21057	6.4
249.14755	2.7
259.13583	1.9
261.22125	17.5
267.15930	99.6
268.16428	2.6
285.21967	1.8
297.92453	2.0
301.25226	6.3
305.00946	1.6
309.16953	2.5
317.24716	5.2
335.25812	100.0
336.26144	2.8
421.25729	1.9
435.27097	2.3
435.32843	3.9
453.33289	3.9
457.06958	1.8
483.65244	2.2
527.37378	43.1
545.38391	20.2
569.38580	4.7
635.39178	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	724.4112
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76552	1.0
54.84455	1.0
55.01864	2.8
55.05507	11.5
57.03437	9.7
60.13070	0.9
67.05509	17.2
69.03403	3.4
69.07059	4.4
70.26623	2.3
70.27020	2.2
71.04987	2.9
79.05495	19.4
81.03417	79.2
81.07056	21.0
83.04983	8.5
83.08128	1.6
83.08619	21.7
85.02893	9.4
85.06548	1.6
91.05480	26.3
93.07038	11.5
95.04965	28.1
95.08598	8.3
97.02885	4.0
97.06499	2.1
97.10169	5.4
98.20782	1.3
99.08084	1.3
105.07034	17.3
107.04937	7.3
107.08609	7.2
109.06481	4.2
109.10147	3.6
111.04424	3.5
111.08066	9.8
113.05999	1.2
115.05469	2.1
117.07003	1.8
119.05009	1.2
119.08578	17.1
121.06475	4.0
121.10139	10.6
123.08035	2.1
125.09638	4.1
129.06998	11.9
131.04915	1.2
131.08568	12.7
133.06490	3.2
133.10153	7.3
135.08081	1.3
137.09618	3.3
141.25137	1.0
142.07809	2.4
143.08559	1.1
145.06491	4.3
145.10092	2.5
147.08034	5.2
147.11678	10.9
147.43782	1.2
149.09622	5.4
155.08577	1.3
157.06459	1.4
157.10138	11.9
159.08003	1.7
163.11195	1.1
165.12712	2.5
175.11163	11.6
181.10149	1.2
187.14835	1.1
189.11212	1.5
193.12248	34.6
207.39542	1.0
211.13304	16.4
233.15285	1.3
249.14917	2.5
255.13895	1.7
267.15921	100.0
268.16235	3.1
269.08719	1.2
273.14725	6.1
285.17007	13.4
339.23093	2.1
341.20981	1.7
349.21585	3.2
367.22644	10.8
385.23724	12.3
403.24875	3.0
433.25891	15.0
441.26419	6.6
459.27423	74.0
460.27686	3.8
477.28506	41.3
519.29498	1.8
527.52606	1.1
551.55902	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39841	0.9
53.03940	2.7
55.01869	2.2
55.05516	10.6
57.03448	5.8
57.07061	2.1
57.59134	1.0
58.29210	0.9
59.04995	1.5
61.02909	4.0
62.64136	1.0
65.03943	1.9
67.05510	62.2
68.05833	1.3
69.03423	2.9
69.07065	7.9
71.04997	49.6
73.02904	2.4
73.06527	1.4
79.05505	19.8
81.03403	2.7
81.07062	100.0
83.05003	5.0
83.08625	8.4
85.02908	3.3
85.06110	1.3
85.06548	11.7
86.09692	1.8
87.04479	2.2
91.05486	35.1
93.07053	23.6
95.04957	4.2
95.08614	10.1
97.02908	2.2
97.06540	8.7
97.10178	1.8
99.08080	1.7
105.07041	18.1
107.08606	17.9
109.06527	2.2
109.10171	10.1
111.08075	3.2
117.07042	4.7
117.75179	0.9
119.08569	2.7
121.10124	7.4
123.11707	22.5
125.09612	1.5
131.08591	4.7
133.10138	27.6
135.11691	7.1
139.11203	1.6
147.11670	1.2
149.13275	11.4
151.11174	12.0
159.11702	8.1
169.12271	1.5
177.12743	3.4
183.13786	10.0
184.07338	4.4
187.13292	6.2
187.26749	1.1
195.13765	3.0
201.14867	1.7
225.14842	2.4
257.17526	2.8
269.17477	4.3
301.20087	18.1
335.64386	1.1
393.25909	1.1
419.27731	1.1
425.28979	5.3
437.29144	5.6
451.30722	8.7
463.30612	8.4
469.31650	71.5
483.33157	10.5
495.33170	43.8
496.33377	1.8
527.35864	58.4
528.35785	2.1
639.36737	2.6
724.38684	2.9
725.37201	5.4
736.83893	1.0
739.84436	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	2.9
55.05512	14.3
57.03174	1.0
57.03437	13.5
59.04992	0.7
61.02930	0.7
63.88610	0.5
65.03934	1.6
67.05505	21.6
67.05867	1.2
69.03426	5.1
69.07069	6.8
70.26914	2.6
71.04993	3.5
79.05492	23.4
81.03417	81.1
81.07054	22.0
81.07417	0.5
83.04977	11.6
83.08617	21.2
83.09104	1.2
85.02903	11.6
85.06527	1.1
86.09719	1.0
87.04473	0.9
90.34962	0.6
91.05480	24.9
93.07047	14.9
95.04969	29.4
95.08607	9.4
97.02895	3.8
97.06553	3.0
97.10168	4.9
99.04460	1.0
99.08102	1.3
103.05467	1.0
105.07033	20.6
107.04958	8.4
107.08599	7.9
109.02878	1.3
109.06525	5.3
109.10164	4.9
111.04433	2.8
111.08073	8.5
113.05975	0.9
115.05407	3.1
117.07022	3.7
119.04939	1.2
119.08580	15.7
121.06499	5.1
121.10140	9.0
123.04425	0.9
123.08052	3.4
123.11705	1.8
125.09617	3.6
127.03893	0.7
128.06235	1.3
129.07004	12.1
131.04944	1.9
131.08575	11.7
133.06491	3.7
133.10129	10.1
135.08078	1.6
135.11693	2.0
137.06036	1.4
137.09619	2.3
141.06985	1.1
142.07817	3.7
143.08549	1.9
145.06479	4.8
145.10094	3.7
147.08058	5.6
147.11688	11.1
149.09622	7.1
151.07545	0.7
153.09048	0.8
155.08533	0.8
157.10126	14.0
159.08089	1.5
159.11728	0.9
161.05986	1.0
161.09657	1.9
163.11189	3.2
165.07066	0.6
165.12737	2.5
167.07034	0.8
169.10112	1.0
171.08078	1.7
171.11664	0.9
173.09639	1.1
175.11186	11.4
179.08569	0.8
184.07350	3.1
185.09602	0.9
189.09094	1.0
189.11215	1.7
189.12764	1.4
193.12233	31.7
197.09732	0.7
199.11246	0.5
199.13225	0.7
205.12210	1.0
207.11809	0.6
209.13387	0.7
211.11368	0.7
211.13271	17.7
213.12585	0.7
215.14330	1.2
219.13950	1.1
225.12892	0.8
227.12756	2.0
229.14319	1.7
231.13821	1.2
233.15416	1.4
249.14946	2.1
255.13770	2.0
267.15912	100.0
268.16238	2.1
271.05862	0.6
273.14883	4.8
283.15430	2.1
285.16956	17.1
339.23416	1.2
341.21030	1.3
349.21442	3.4
357.24130	0.9
367.22659	10.3
385.23758	12.6
403.24966	3.8
405.23895	0.7
415.24774	1.0
433.25900	13.8
441.26279	7.2
459.27408	62.8
460.27637	1.9
477.28476	40.7
478.28613	1.0
479.17255	0.6
491.30081	1.1
495.29007	1.0
501.28229	1.1
509.30783	2.1
519.29333	1.3
561.29675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.3
55.01885	2.1
55.05518	19.6
57.03424	6.4
57.07073	3.3
65.03921	3.6
67.05167	3.7
67.05509	70.9
69.03425	9.0
69.07072	17.5
71.05001	23.1
71.05751	3.3
74.55058	2.0
79.05506	40.6
81.03429	21.3
81.07065	100.0
83.04991	15.6
83.08634	10.2
85.02911	2.1
85.06567	9.9
89.69446	1.7
91.05486	39.7
93.07050	36.2
95.04960	8.1
95.08044	2.9
95.08614	36.7
97.02882	4.3
97.06516	5.5
97.10168	3.8
99.04483	2.9
99.08081	2.8
105.07035	23.8
107.08593	23.0
109.02879	2.8
109.06535	3.0
109.10162	16.1
111.04447	2.0
111.08076	3.0
115.05444	2.4
117.07004	8.0
119.08572	17.0
121.10170	16.3
121.10966	3.3
123.08064	3.4
123.11730	13.7
124.99955	2.5
127.03934	2.5
129.05461	7.0
129.06992	2.8
130.07762	1.8
131.08571	14.2
133.10136	23.9
135.08026	2.4
135.11714	12.7
137.09601	2.3
141.06964	2.6
143.08612	5.0
145.10078	8.7
147.11661	10.8
149.13257	8.1
151.11197	8.3
155.08644	4.1
157.10081	5.5
159.11769	9.4
161.13231	3.8
163.14838	2.8
169.10049	2.8
171.11694	5.4
173.04468	6.3
173.13306	5.4
177.12749	4.8
183.13824	2.7
184.07376	6.2
185.13182	2.9
187.13281	7.8
187.14815	3.7
195.13818	4.2
219.07970	1.8
225.12819	2.2
225.14766	3.7
227.16490	3.8
243.15933	6.2
257.17398	4.5
261.22144	5.1
269.17542	12.1
277.21521	2.6
335.25809	22.1
339.17908	2.9
351.23193	2.7
369.24197	4.7
387.25378	2.8
405.26511	3.0
413.21515	3.3
445.24200	3.1
461.28882	2.0
503.37335	32.3
505.38809	20.6
517.39001	4.4
529.38916	10.3
561.41473	28.9
673.42761	9.1
705.45551	5.9
723.48090	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	723.4674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.3
55.01863	2.3
55.05510	28.6
57.03438	8.9
57.07058	3.9
57.33018	1.7
65.03939	3.5
67.05505	73.5
69.03424	12.3
69.07064	15.9
70.18713	6.5
71.04994	21.9
73.02899	2.0
79.05492	36.5
81.03422	23.5
81.07058	100.0
82.22055	1.9
83.04980	21.7
83.08630	9.1
85.02892	4.6
85.06529	6.2
86.09699	4.5
91.05486	31.8
93.07047	42.5
95.04958	7.2
95.08032	2.9
95.08605	39.4
97.02901	3.9
97.06535	8.7
97.10161	3.8
99.04456	2.6
99.08061	2.0
105.04551	2.1
105.07031	27.0
107.04935	5.2
107.08598	23.6
109.02878	4.0
109.06522	4.0
109.09540	2.1
109.10169	18.2
111.04478	4.6
111.08059	3.2
113.06010	2.1
117.07028	9.6
119.08601	13.9
121.10105	14.5
123.08089	2.0
123.11707	14.1
124.99987	3.3
129.05495	9.0
129.06999	4.3
131.08589	15.6
133.06526	2.1
133.10132	20.1
135.11681	10.0
137.13165	2.4
141.06990	1.9
141.86755	2.2
143.08578	4.5
145.10098	9.5
147.11639	8.6
149.13257	5.5
151.11189	4.8
155.08568	2.6
157.06476	1.8
157.10100	4.0
159.08118	1.9
159.11710	9.6
161.13231	5.7
165.12749	1.7
171.11650	2.2
173.04427	4.3
173.13284	5.2
177.12749	2.0
183.11652	3.0
184.07349	13.6
185.07838	2.9
185.13200	2.2
187.13261	5.9
187.14803	2.7
195.11696	2.3
195.13799	3.3
199.14784	2.2
202.62965	1.7
213.14848	1.9
225.14943	2.0
227.12624	2.3
227.16406	3.8
243.15993	4.6
257.17459	4.6
261.22293	3.2
267.15808	2.2
269.17459	6.2
285.22034	2.2
299.18338	2.0
335.25745	13.9
356.00360	2.1
369.24112	3.5
413.21799	2.5
437.91165	2.0
445.24246	3.4
461.29086	3.1
503.37369	26.6
505.38800	21.7
517.38989	3.5
529.38770	7.6
561.41571	19.7
635.29071	2.0
655.41394	3.4
673.42627	8.3
705.45300	3.3
723.44525	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	722.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05040	0.7
57.07063	0.4
58.06611	0.4
60.08168	6.2
61.69955	0.1
63.09551	0.1
67.05489	0.4
69.52110	0.9
71.07376	3.4
71.08627	0.2
79.05508	0.2
81.07043	0.5
81.43476	0.2
85.58267	0.1
86.09708	30.2
91.05465	0.2
92.52689	0.1
93.07040	0.2
95.08596	0.4
98.98463	3.4
104.10754	2.0
105.06985	0.2
109.10120	0.2
125.00008	21.0
128.08131	0.2
133.10176	0.2
143.01082	0.2
143.44864	0.1
163.01541	0.2
166.02580	0.2
174.27429	0.1
184.07346	100.0
185.07693	0.8
193.54710	0.1
270.03635	0.2
287.18735	0.2
313.27341	0.2
371.92325	0.1
481.38983	0.3
525.41425	0.2
690.46698	0.5
722.49713	4.8
723.42407	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
55.01874	2.3
55.05290	1.9
55.05519	19.3
56.73367	1.6
57.03455	9.6
57.07072	2.7
60.08152	1.9
65.03949	3.4
67.05508	64.2
69.03438	9.0
69.07075	14.9
71.04996	23.2
73.02917	2.0
79.05494	39.7
81.03419	21.0
81.07063	100.0
82.20704	1.5
83.04987	19.2
83.08619	9.4
85.02904	3.5
85.06543	8.4
86.09706	6.7
87.10114	1.7
89.06081	1.7
91.05488	35.9
93.07050	41.2
95.04962	6.7
95.08609	32.9
97.02893	6.1
97.06534	3.9
97.10182	3.7
98.20707	4.4
99.04465	3.4
99.08134	2.6
99.78566	1.6
105.07034	24.5
107.04939	2.2
107.08604	22.0
109.02918	3.5
109.06526	4.5
109.10178	15.8
111.04456	4.3
111.08118	3.0
117.07020	5.8
119.08566	12.1
121.10146	13.6
123.11719	16.6
124.99994	5.2
125.09595	2.8
127.03905	2.4
129.05478	7.3
129.07007	3.4
131.08556	10.5
133.06470	1.5
133.10141	17.6
135.08020	2.0
135.11713	8.6
143.08638	3.1
145.10115	7.9
147.11725	7.8
149.13272	6.8
149.95726	1.5
151.05470	1.8
151.11212	5.7
155.08542	2.0
157.10135	3.6
159.11743	8.6
159.12820	1.6
161.13307	2.6
163.14854	1.8
169.10153	2.0
171.11728	3.7
173.04431	4.3
173.13301	3.7
175.11179	1.9
177.12814	3.3
184.07353	15.2
185.07698	4.3
187.11081	1.7
187.13301	6.0
193.12253	2.0
195.13708	3.5
201.14839	2.2
203.32336	1.8
229.14284	1.7
243.15964	5.3
261.21976	2.5
267.15787	3.4
269.17514	5.8
335.25812	21.2
339.17953	2.2
443.28036	1.9
461.28897	2.6
503.37350	35.7
504.37979	2.0
505.38861	13.5
517.38971	4.2
529.38989	10.3
561.41602	31.0
562.42804	1.8
662.18622	1.6
663.35126	1.9
670.36932	1.7
705.45392	6.2
716.18805	2.0
723.46783	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	721.452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.8
55.05521	14.8
57.03436	10.1
58.79326	2.0
59.06116	2.7
64.24036	2.2
65.03924	4.5
67.05170	3.2
67.05509	62.0
69.07073	15.1
71.04960	2.4
79.05047	4.5
79.05495	65.4
81.03390	8.1
81.07060	53.7
83.04975	12.2
83.08602	7.2
85.07664	23.9
86.09685	5.1
91.05475	43.4
93.07047	69.7
95.04974	15.4
95.08615	39.8
97.02900	2.3
97.06521	2.1
97.10161	3.4
98.21498	5.0
101.50849	1.9
105.04526	3.3
105.07032	33.2
107.04942	4.2
107.08590	17.9
108.43169	1.9
109.06516	5.2
109.10165	11.1
109.63338	2.4
117.07011	7.3
119.08590	20.7
121.10134	15.3
123.08105	2.8
123.11716	3.9
124.99976	3.0
129.06970	8.6
131.08565	5.6
133.10120	8.8
135.11688	6.6
143.08553	6.8
145.10143	10.9
147.08109	2.9
147.11711	27.5
149.13277	2.8
159.11671	4.1
161.09579	3.0
161.13251	7.2
167.05864	2.8
171.11681	16.9
184.07355	9.9
189.12733	5.7
207.13815	18.3
211.96330	2.2
229.71980	2.2
261.22171	5.9
270.85608	2.3
275.46628	2.1
279.16129	2.3
281.17496	40.6
314.27701	2.3
335.25803	54.8
387.19135	2.4
541.38916	100.0
721.49573	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	722.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.9
55.01891	3.8
55.05511	13.0
57.03444	11.0
57.92048	0.6
59.04999	1.0
61.02907	0.8
65.03938	1.1
66.48148	0.6
67.05507	15.6
69.03422	2.2
69.07072	4.3
69.23806	6.7
71.04987	2.7
75.30815	0.7
79.05495	18.2
81.03421	46.8
81.07059	13.3
81.28732	0.6
82.07385	0.7
83.01353	3.8
83.04984	7.1
83.08625	14.1
85.02902	2.4
85.06534	0.7
91.05479	14.8
93.07046	15.7
95.04971	14.3
95.08596	6.7
97.02898	2.9
97.06550	3.7
97.10172	6.2
98.21526	1.0
99.04465	1.0
103.05505	1.0
105.03410	0.8
105.07028	12.3
107.04944	7.6
107.08595	9.0
109.02869	1.6
109.06523	5.6
109.10170	4.4
111.04430	2.6
111.08083	3.8
115.05472	1.5
117.07005	5.9
119.04934	0.6
119.08581	9.8
121.06491	4.7
121.10132	7.0
121.25304	0.6
123.08062	4.9
125.05981	1.1
125.09612	6.1
128.06216	1.6
129.07025	5.7
129.60220	0.6
130.07785	0.7
131.04953	1.1
131.08563	5.5
133.06502	2.6
133.10115	3.3
135.04411	1.0
135.08095	3.8
135.11702	6.2
137.05974	1.0
137.09621	1.8
139.07578	0.6
142.07779	1.3
143.08568	1.6
145.06509	2.4
145.10117	9.5
147.08043	3.5
147.11707	3.7
149.09625	2.9
152.55031	0.6
153.08992	0.7
153.12737	2.9
155.08551	1.5
157.06424	0.8
157.10144	5.1
159.08150	1.3
159.11659	0.9
161.05975	3.6
161.09653	1.4
163.11198	11.5
165.12790	1.1
169.10139	0.8
173.09698	2.0
175.11174	4.2
181.12262	1.3
183.08130	1.0
184.07372	0.8
185.09697	0.7
187.07571	0.8
189.09311	1.0
189.11279	2.1
191.10725	1.6
193.12250	9.6
195.11690	0.8
201.09071	0.8
203.14467	0.7
205.12366	2.0
205.39096	0.6
209.11784	1.8
211.11308	1.4
211.13283	1.1
213.12729	1.0
225.12790	0.7
227.12874	2.3
231.13898	1.3
235.11153	0.9
249.14967	1.5
257.15482	0.8
259.13455	0.9
265.14334	1.2
267.15921	24.6
269.15375	1.0
271.13196	1.4
273.14853	1.9
283.15408	20.6
289.14349	2.7
301.14200	0.7
303.15979	0.7
355.22675	1.8
365.21265	3.5
383.22192	19.5
383.26898	1.1
401.23193	7.7
403.22595	0.9
419.24255	3.0
421.23758	1.5
431.24231	1.6
439.24872	1.2
457.25925	27.2
458.26666	1.2
475.26941	100.0
476.27426	3.8
493.28052	10.0
517.27686	1.2
561.44666	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90789	2.7
53.03956	12.7
55.01882	29.0
55.05512	27.9
57.03439	14.4
57.07064	3.2
61.02908	2.7
63.96627	2.7
65.03946	4.9
66.99009	2.4
67.05170	3.6
67.05505	55.6
69.03445	20.1
69.07071	36.9
69.31904	24.0
70.06579	6.2
71.04976	10.9
73.02927	4.3
79.05496	54.0
81.02971	4.8
81.03422	82.0
81.07060	63.7
83.04991	24.6
83.08627	26.0
85.02923	14.9
85.06522	2.9
88.07636	3.0
88.88039	2.6
91.05483	69.5
92.72395	2.1
93.07057	44.5
95.01337	6.3
95.04980	30.2
95.08614	30.3
97.02896	21.8
97.06538	49.0
97.10152	10.4
99.04433	5.9
101.02334	2.5
102.09219	2.9
105.06374	4.9
105.07040	74.9
107.04953	21.3
107.08598	25.3
109.02877	8.4
109.06531	5.8
109.10161	16.1
111.04443	7.4
111.08089	9.1
117.07031	19.1
119.08584	43.0
121.06498	7.0
121.10152	13.4
123.08067	7.4
123.11712	2.6
124.52383	2.2
125.09638	3.2
127.03928	10.4
129.05478	4.0
129.07011	11.8
131.08565	34.6
133.06476	2.9
133.10114	41.9
135.08063	5.9
135.11664	9.2
137.05933	3.1
137.09598	5.9
139.07523	2.8
143.08553	8.9
145.10152	13.5
147.08043	4.9
147.11682	22.0
149.02339	5.7
149.09639	12.4
157.06444	2.5
157.10155	13.9
159.11682	13.5
161.13252	7.8
163.11147	9.9
164.76151	2.4
165.09148	5.0
165.12811	4.0
169.10085	4.6
175.11182	13.3
177.12741	3.7
179.14319	9.4
183.11577	3.2
185.13188	3.1
187.11159	4.0
187.85854	2.4
193.04941	7.1
193.12253	27.3
195.13800	3.5
205.12224	2.9
211.13307	34.0
211.15198	4.1
227.12642	2.8
232.02559	2.7
239.17992	3.0
247.20695	5.3
256.26370	7.2
257.18982	8.1
264.76822	2.5
267.15930	29.4
267.59698	2.8
273.66861	2.9
275.20087	100.0
285.16669	6.4
291.19623	3.9
293.21008	6.0
300.28864	3.8
349.23746	33.3
355.17612	4.0
377.85574	2.6
411.19974	4.7
413.17633	6.3
429.21210	34.4
512.89227	2.9
541.35254	50.4
559.36115	13.5
703.40521	39.9
721.37592	65.5
721.56537	15.9
722.36743	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	720.4443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.8
54.25203	2.8
55.05503	8.7
60.08167	3.9
67.05510	34.6
69.07066	8.9
70.93463	3.3
79.05489	11.9
81.03415	32.7
81.07058	32.8
83.08612	7.6
86.09707	13.4
91.05490	9.7
93.07052	10.7
95.04971	10.8
95.08610	19.2
98.20715	12.0
100.13801	3.5
105.07027	8.7
107.08607	8.3
109.10142	9.7
119.08595	7.3
121.10117	4.8
123.11707	5.3
124.57268	3.2
125.00016	11.9
129.06981	4.1
129.70049	3.3
133.10143	4.0
159.11659	3.8
175.11140	5.5
184.07336	52.5
215.38951	3.3
229.78926	4.1
366.24979	3.6
394.84628	3.8
529.38910	100.0
530.39044	4.7
720.44562	4.7
721.41132	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	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
55.01872	2.4
55.05517	14.1
57.03437	16.0
57.07078	34.5
61.02915	4.3
67.05509	33.8
69.03429	3.6
69.07072	11.5
71.05016	3.5
71.08636	25.6
71.62145	2.5
79.05501	23.2
81.03421	52.5
81.07058	37.3
83.04980	13.9
83.08621	24.0
85.02905	26.1
85.06541	2.4
85.10184	15.0
86.09708	2.9
89.05980	1.9
91.03953	2.0
91.05491	24.8
93.07048	17.3
95.04970	15.9
95.08601	25.6
97.02879	6.2
97.06532	3.1
97.10180	8.0
105.07049	17.3
107.04963	6.6
107.08624	8.2
109.06519	3.6
109.10153	11.2
111.04428	1.9
111.08074	9.9
111.11740	1.8
117.06966	1.6
119.08583	15.0
121.06467	1.4
121.10155	7.6
123.08002	1.8
123.11658	2.2
125.00040	2.1
129.06978	7.9
131.08606	9.7
133.06464	1.7
133.10129	9.0
137.09656	1.4
142.07777	3.2
146.61014	1.6
147.08051	2.4
147.11705	10.7
149.09621	3.2
157.10133	10.6
165.12743	2.5
175.11189	10.1
184.07355	9.0
193.12253	32.5
211.11266	3.3
211.13298	58.3
239.23714	2.2
257.24869	2.2
267.15848	18.0
275.27417	1.7
285.16974	74.9
301.20166	1.4
313.27386	84.3
314.27829	2.2
441.18643	1.5
505.39130	14.7
523.39954	100.0
524.39954	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	720.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01879	1.5
55.05509	8.2
57.03434	5.6
63.79840	1.1
67.05508	18.8
69.03423	1.4
69.07062	4.7
70.77829	2.2
71.04971	1.9
79.05499	30.3
81.03423	39.7
81.06628	1.7
81.07059	18.3
83.04990	5.2
83.08624	9.4
85.02895	1.9
85.06555	1.8
89.29788	1.0
90.86415	1.0
91.04954	2.1
91.05484	26.5
93.07052	26.0
95.04967	20.0
95.05924	1.3
95.08606	10.6
97.02905	2.0
97.06527	4.2
97.10159	2.6
105.06371	1.6
105.07038	20.4
106.95332	1.0
107.04955	2.9
107.08606	8.8
109.06504	3.6
109.10154	3.8
111.08083	3.7
115.05457	1.1
117.07040	4.6
117.21876	1.2
118.96329	1.0
119.08592	13.5
121.06526	1.8
121.10146	4.0
123.08083	2.7
129.06989	8.2
131.08572	6.4
133.06473	2.1
133.10147	7.9
135.08046	1.2
143.08554	4.9
145.10094	5.4
147.08040	2.2
147.11687	16.3
149.09648	2.6
157.10158	3.7
161.09636	1.7
161.13248	3.1
165.12784	1.1
171.11707	10.7
175.11200	4.7
189.12700	4.1
193.12251	9.4
198.14970	1.1
207.13800	11.2
225.14735	1.4
249.14801	1.3
267.15924	34.9
281.17493	45.1
281.20621	2.1
306.53864	1.2
453.62503	1.5
473.29019	100.0
474.29184	2.7
491.29498	1.4
581.30499	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3441
Annotation	Unknow
Peak:m/z	Relative Intensity
59.89822	0.5
65.17656	0.5
67.05446	1.0
69.94843	2.2
79.05418	0.8
81.06977	1.2
91.05405	0.8
93.06996	0.6
95.04920	0.6
95.08527	0.9
105.06922	1.0
107.08485	1.0
107.98970	0.4
113.33397	0.4
121.10078	0.5
131.08507	0.4
140.43605	0.5
143.08368	0.5
182.37091	0.4
256.67642	0.5
310.16107	0.4
322.17456	0.5
401.17395	2.0
402.18439	0.9
403.19247	1.4
405.20828	1.2
415.19345	4.6
416.20081	4.3
417.16119	0.8
417.21567	2.6
418.21860	0.7
419.22256	2.4
429.15747	0.8
429.21466	3.6
430.22192	3.3
431.17978	4.3
432.19122	0.9
433.24371	3.3
434.24500	1.2
443.18646	1.4
444.19293	3.6
444.23764	2.2
445.20215	6.4
445.24747	2.3
446.20999	3.2
447.21860	2.5
457.20200	1.1
458.20963	2.0
459.21671	43.4
460.22501	12.8
461.23505	5.7
472.22275	1.2
473.23441	51.1
474.23840	3.6
475.24719	0.7
476.22186	1.0
487.25049	22.3
488.25769	4.0
492.25433	2.4
499.24908	1.4
503.24451	2.7
505.22278	4.9
515.24493	29.3
516.25159	2.3
519.23016	2.6
531.24152	0.7
532.24908	0.7
533.25549	1.6
543.23920	2.6
547.27026	10.6
548.26923	0.7
575.26563	100.0
576.26880	5.2
593.27551	1.5
641.31189	0.6
659.32159	0.8
701.33667	6.3
701.46600	0.9
719.34448	16.0
719.48157	1.4
720.34833	1.3
720.79645	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.3
53.03946	13.3
55.01867	18.7
55.05257	3.3
55.05513	47.2
56.96570	6.2
57.03436	12.9
57.94014	2.2
61.02902	4.7
65.03935	6.2
67.05508	66.9
69.03437	35.4
69.07069	28.1
70.25526	8.7
71.01347	2.5
71.04996	11.6
73.02911	4.0
76.00105	2.0
77.03933	2.9
79.05495	66.6
81.03424	100.0
81.03902	5.1
81.07059	69.7
83.04987	22.9
83.08622	29.6
84.26068	2.6
85.02905	20.6
85.06532	3.3
91.05482	57.0
93.07049	52.8
95.04974	31.0
95.08611	27.8
97.02898	24.0
97.06529	11.0
97.10181	18.5
98.97573	2.7
99.04450	7.4
99.08124	2.8
103.05455	3.2
105.04469	3.4
105.07034	48.6
106.07432	2.6
107.04964	22.0
107.08597	30.3
109.02885	23.7
109.06507	9.0
109.10159	20.7
111.04455	18.2
111.08076	11.1
112.84933	2.8
115.05518	2.9
117.07030	21.8
119.04906	3.4
119.08596	37.9
121.06512	8.9
121.10138	21.5
121.38259	2.7
123.04439	4.5
123.08098	7.1
123.11682	3.8
125.09637	15.8
127.03900	17.8
128.06230	5.7
129.05460	2.9
129.07007	17.3
131.08568	29.0
131.62683	2.8
133.06467	7.1
133.10146	21.2
135.08031	12.3
135.11699	10.1
137.09636	4.8
139.86595	2.3
141.06972	2.7
142.07758	5.1
143.08565	10.6
145.06499	6.2
145.10129	23.0
147.07008	2.7
147.08006	12.0
147.11693	18.2
149.09631	10.2
153.12790	6.6
155.03624	3.0
155.08560	8.1
157.06546	3.1
157.10173	12.8
159.08031	5.9
159.11703	10.3
161.09628	5.5
161.13216	2.8
163.11261	16.2
165.12827	3.0
169.10141	4.4
171.08046	3.5
171.11691	6.2
173.04477	10.3
173.09589	5.5
173.13303	3.5
175.11217	11.4
181.10283	2.6
181.12224	6.1
181.30171	2.7
183.08060	2.6
183.11771	2.8
185.09616	3.8
189.11252	11.6
191.10701	6.6
193.12234	23.6
197.13234	3.2
203.10757	3.0
205.12201	4.1
209.11678	4.0
211.13280	35.5
223.13249	10.8
227.12738	21.8
229.14255	4.1
245.19186	3.5
249.14961	4.1
255.09061	3.5
255.17477	4.2
263.20187	2.9
265.14148	3.0
267.08972	7.8
267.16052	7.9
269.10757	13.1
273.18594	24.2
275.20041	18.5
283.08423	4.4
283.15430	9.7
285.10126	9.1
285.16995	2.7
287.11554	5.0
291.19516	66.4
297.43912	2.6
301.14343	2.7
313.21878	3.4
341.16171	4.5
341.66254	3.4
347.22177	4.9
349.23651	6.7
355.17712	5.8
365.16299	4.1
365.23187	7.5
392.70746	2.9
397.18549	4.9
397.68991	8.2
398.18866	5.9
399.22119	2.6
411.20276	4.6
423.27576	3.4
427.19666	5.3
429.21472	3.3
487.18103	6.2
528.37311	5.5
529.35010	3.2
539.33569	7.9
557.34595	20.1
575.35443	9.7
621.32947	3.1
701.38654	11.8
719.40027	79.2
720.40167	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	717.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.1
53.87482	4.5
55.01863	21.6
55.05499	24.9
57.03432	9.8
67.05512	70.7
69.03426	11.2
69.07076	31.4
70.02871	5.8
71.04967	8.3
71.62354	10.5
79.05491	73.6
79.17238	5.5
81.03430	28.0
81.07059	70.4
83.04973	10.6
83.08619	10.0
85.02877	6.6
86.09704	10.8
91.04936	9.1
91.05477	85.8
93.07057	59.9
95.01316	10.8
95.04959	18.7
95.08613	39.7
97.02879	8.7
97.06516	37.0
105.07032	90.2
107.04945	23.0
107.08576	25.5
109.06524	13.7
109.10151	8.4
114.84763	5.6
115.05490	7.4
117.07009	27.0
119.08567	39.3
121.10144	9.1
127.03925	7.6
129.06950	12.9
131.08562	34.0
133.10132	45.9
135.08029	9.0
135.11662	10.6
143.08586	9.7
145.06468	9.5
145.10098	20.3
147.11670	22.0
149.09592	12.8
155.08632	6.9
157.10094	14.8
159.11693	11.9
161.13292	10.3
171.11673	14.1
173.04454	8.9
178.46683	5.5
179.14310	16.9
180.09422	6.0
184.07301	23.9
187.11154	6.2
207.13754	9.0
257.19070	11.7
275.20102	96.9
279.15842	11.1
293.21225	10.3
327.47504	6.2
349.23746	34.0
425.21588	14.8
552.11914	7.7
555.36707	47.3
576.48981	6.3
635.39667	7.5
699.40405	8.7
717.41754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
54.07029	0.3
55.01871	0.5
55.05505	1.1
57.03439	2.1
57.07081	0.2
61.02630	0.4
61.02929	4.7
67.05511	4.5
69.03435	2.7
69.07077	1.0
69.26340	2.5
71.01348	0.4
71.04998	0.4
73.02922	3.9
79.05495	3.1
81.03444	1.8
81.07072	3.7
83.04967	0.5
83.08643	0.4
85.02910	5.0
87.04465	0.5
87.59415	0.3
91.03955	3.4
91.05491	1.9
93.07047	4.5
95.04994	0.4
95.08609	3.1
97.02898	4.6
97.06551	0.4
97.10187	0.5
98.21498	0.5
99.04469	0.8
101.02386	1.8
103.03957	0.4
105.07035	1.1
107.08604	2.5
109.02889	0.7
109.10170	0.9
110.03084	0.3
115.03922	0.5
117.07044	0.5
118.33682	0.2
119.08611	0.9
121.10144	1.6
123.11718	0.3
127.03904	1.3
131.08559	0.3
133.10155	0.7
135.11708	2.8
145.10194	0.6
147.11781	0.3
149.13269	0.5
161.13316	0.3
165.76321	0.2
184.07440	0.4
185.04243	0.6
200.72130	0.2
207.21417	0.2
221.11530	1.0
243.08371	1.7
251.41368	0.2
277.14249	0.2
282.18631	0.3
296.87686	0.2
317.45380	0.3
335.26154	0.6
439.13831	0.5
439.19424	3.3
453.21030	0.3
512.40393	0.3
519.29266	7.2
525.54407	0.3
717.41852	100.0
718.42383	4.6
749.16785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47572	2.5
55.05499	9.6
57.03438	5.9
60.08152	7.9
67.05511	30.9
69.07059	11.7
69.60857	20.0
71.07367	2.9
78.14171	2.6
79.05499	24.0
81.06625	3.7
81.07057	34.3
83.04947	3.2
83.08618	6.4
86.09702	35.1
87.10059	2.7
91.05479	16.1
93.07050	22.4
95.08617	25.0
97.10201	3.2
98.98457	3.4
104.10715	4.1
105.07040	23.3
107.08630	13.4
109.10172	13.3
117.07014	4.8
119.08615	13.5
121.10156	10.5
123.11700	3.1
124.99994	18.5
128.41278	2.7
131.08607	6.8
133.10085	8.6
135.11696	5.2
143.08589	3.7
145.10118	6.4
147.11673	9.8
149.13240	5.0
159.11703	4.6
161.13213	5.9
164.09654	2.6
165.12605	3.0
171.11752	5.3
173.13225	3.8
175.14836	3.2
184.07350	100.0
185.07603	6.2
186.07826	3.3
205.85153	2.5
229.14268	13.5
239.16528	9.0
261.22156	5.7
314.08182	2.7
329.70203	3.0
335.25766	23.3
336.26187	3.1
425.34048	6.2
489.36105	3.4
496.97781	3.3
499.37714	10.7
517.38977	29.1
573.48859	4.8
714.46454	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	713.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.3
55.05503	1.8
57.03424	2.7
58.02966	0.8
59.43825	0.8
61.02931	4.7
67.05499	2.4
69.03419	2.4
69.07054	1.7
71.05002	0.9
71.61854	1.2
73.02929	2.8
73.71711	0.8
79.05495	4.2
81.03417	4.8
81.07053	3.6
83.04976	1.4
83.08626	1.9
85.02897	6.6
86.09723	2.5
91.03951	4.0
91.05482	3.8
93.07053	2.2
95.04963	1.2
95.08652	0.9
97.02898	4.9
99.04469	1.9
101.02383	1.8
105.07023	5.4
107.04919	1.0
107.08604	2.0
109.02870	1.6
115.04041	0.9
117.07069	1.1
119.08611	2.1
121.06569	1.5
121.10152	1.1
123.04263	0.9
127.03936	4.5
129.05534	1.7
129.07072	0.9
131.08583	1.9
133.10120	3.3
135.11699	0.9
137.05988	2.8
145.10182	1.2
147.11749	1.0
161.09648	2.3
163.11246	1.6
181.04872	2.0
184.07431	3.2
185.04231	5.7
189.09167	1.1
193.12337	1.4
199.05867	1.0
199.13246	1.1
201.03761	1.9
241.06853	0.9
243.08415	4.2
244.80591	0.8
251.12633	3.8
275.93039	0.8
277.14200	2.5
301.08902	15.2
315.10760	2.7
321.16629	0.9
349.16284	2.9
351.14371	1.9
365.16309	0.9
367.17563	2.4
371.17020	1.1
373.10992	6.3
383.16974	3.3
385.18231	8.2
387.12625	1.3
394.00607	0.9
395.16925	1.4
401.14218	1.4
413.17770	1.0
423.19992	0.9
429.17545	2.3
433.25928	1.6
443.19009	5.5
457.20810	1.4
469.20355	17.1
479.26407	1.3
483.21970	1.3
485.19824	4.9
499.21667	3.1
527.28491	1.4
528.21808	5.2
541.22412	7.3
555.24384	1.4
569.26868	1.8
583.31055	2.5
611.30219	8.3
612.31317	3.9
653.31049	1.2
695.32574	3.0
696.33087	1.0
713.33453	100.0
714.34039	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	713.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.9
55.05508	1.1
56.96554	1.6
61.02916	1.7
62.53506	0.7
67.05499	1.8
67.76582	0.8
69.03413	2.1
69.07071	1.0
71.61774	1.0
73.02898	1.2
79.05488	1.8
80.78587	0.7
81.03423	3.3
81.07059	2.5
83.04966	1.3
85.02911	3.1
86.09693	1.2
91.03963	0.8
91.05479	3.0
93.07048	1.8
94.63055	0.8
95.04990	1.8
95.08600	1.8
97.02887	2.3
98.97598	0.8
99.04468	1.2
103.05533	0.7
105.07044	3.8
107.04939	0.9
107.08604	1.5
109.10143	1.2
119.08569	1.2
121.10088	1.7
127.03920	1.3
131.04900	1.0
133.10127	2.2
135.08124	0.7
137.06018	2.1
137.09613	0.9
142.85567	0.7
145.10139	1.1
147.11729	0.9
161.09598	1.2
163.11234	1.1
167.07092	1.3
184.07397	3.0
185.07678	0.8
259.43527	0.8
267.08987	3.7
285.10132	3.6
287.05582	1.7
348.15024	0.9
448.27710	1.3
467.18655	1.2
469.20758	1.8
485.17575	3.4
695.32159	2.7
713.31836	100.0
714.32153	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	712.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.1
56.05038	0.7
58.06375	0.2
58.06621	0.3
59.07386	0.2
60.08168	5.7
63.49988	0.1
67.05501	0.4
71.07377	3.3
79.05495	0.3
80.97486	0.1
81.07063	0.4
86.09711	31.1
89.06036	0.3
91.05434	0.1
93.07054	0.3
95.08578	0.1
98.98470	3.5
104.10740	2.4
105.07030	1.4
107.08573	0.2
125.00011	21.2
135.11850	0.1
141.29478	0.1
143.01039	0.4
184.07352	100.0
185.07732	0.6
190.99580	0.1
357.36288	0.1
442.63605	0.1
452.24139	0.2
529.38776	0.2
531.75928	0.1
609.38611	0.1
712.34521	0.2
712.45691	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	712.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.3
55.01869	3.2
55.05253	1.4
55.05509	16.8
57.03438	17.8
57.07065	2.3
61.02922	2.3
65.03947	1.9
67.05506	59.3
69.03412	1.2
69.07072	15.0
70.87100	0.8
71.01345	2.6
71.04987	2.9
79.05496	50.0
81.03397	4.3
81.07058	44.2
83.04977	11.6
83.08620	5.6
85.02894	3.8
85.06552	3.1
91.05479	22.1
92.05751	1.1
92.33334	1.1
92.67673	0.9
93.07049	59.3
95.04958	4.6
95.08607	28.0
97.06538	12.0
97.10169	8.8
99.04441	1.3
105.04504	1.3
105.07036	12.3
107.04970	1.6
107.08598	32.9
109.06518	1.3
109.10155	18.1
111.08050	2.6
117.07039	6.2
119.08566	10.5
121.10152	16.6
123.08078	1.6
123.11697	2.9
125.09594	2.6
131.08553	6.8
133.10141	9.1
135.08017	1.6
135.11700	44.9
137.09627	2.0
145.10132	9.5
147.11688	3.3
149.13278	4.0
151.11160	1.1
153.12740	4.7
159.11697	4.5
161.13257	2.6
163.11165	7.0
163.14761	2.7
173.13293	3.6
175.14751	1.9
181.12215	15.1
184.07295	1.9
189.11284	1.0
199.13280	3.1
243.21107	5.0
253.14334	3.0
255.15916	100.0
256.16364	1.8
261.22174	11.0
317.24750	2.9
331.50766	1.0
335.25809	59.5
336.25946	1.7
418.96939	1.1
423.32388	3.7
441.33624	1.9
515.37354	75.9
516.37549	4.4
533.38116	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	711.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
55.01876	0.6
55.05507	1.7
55.13628	0.6
57.03436	1.7
61.02930	5.1
67.05509	4.8
69.03439	3.0
69.07060	0.8
70.27389	1.6
71.04997	3.0
73.02930	3.0
73.57096	0.5
79.05495	2.2
80.12473	0.5
81.03429	2.7
81.07056	7.1
83.04986	0.6
83.08613	0.7
85.02918	4.6
85.06547	1.0
86.12534	0.6
91.03953	2.7
91.05479	3.3
93.07043	3.9
95.04984	0.9
95.08633	1.4
97.02896	4.5
97.06526	1.1
98.21362	0.7
99.04477	1.1
101.02364	1.4
102.50439	0.6
105.04523	0.5
105.07046	2.2
107.08610	2.5
109.02823	1.1
109.06512	0.6
109.10163	1.4
117.06985	0.8
119.08531	0.8
121.10168	1.7
123.08070	0.7
123.11739	0.9
127.03909	1.6
131.08650	1.0
133.09216	0.5
133.10101	3.1
135.11691	1.8
145.10150	1.4
149.20465	0.6
151.11147	0.6
159.11690	0.7
163.11229	1.6
183.13901	0.7
185.04308	0.6
189.80928	0.6
199.28839	0.6
203.05290	0.7
243.08511	2.3
267.15784	1.1
269.17654	0.7
453.21002	1.6
467.18903	5.2
485.23578	7.2
679.32532	0.8
711.35626	100.0
712.36176	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	711.2975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07627	0.9
52.43497	0.9
55.01870	1.1
55.05495	2.5
56.96561	2.0
57.03425	1.9
61.02911	2.1
67.05508	6.1
69.07084	2.2
71.20235	2.0
73.02907	1.3
81.03412	3.0
81.07050	6.5
82.07385	1.3
83.04954	1.9
83.08624	2.2
85.02901	3.5
86.09701	1.5
91.03944	1.1
91.05478	4.7
92.05795	1.0
93.07041	5.7
94.07373	1.2
95.04960	2.8
95.08601	2.9
97.02871	2.4
97.06503	0.9
99.04438	1.2
105.07041	3.3
107.04953	1.1
107.08586	2.9
109.10171	2.5
109.47349	0.8
111.04424	1.5
117.06998	1.4
119.08570	3.1
121.10141	2.1
126.13900	0.9
127.03869	1.2
131.08524	1.6
133.10124	2.5
135.11662	2.2
145.10031	1.1
147.08064	1.0
147.11671	1.0
149.13327	1.0
151.07445	0.9
166.04630	0.8
173.09752	1.0
184.07286	2.8
193.12080	0.8
209.11690	2.1
210.11989	1.1
227.12753	1.2
231.15915	0.9
267.09116	2.1
268.16507	1.0
269.17529	3.2
270.17752	1.5
284.15668	1.5
285.10065	2.5
301.16592	1.7
302.16702	1.6
433.92322	1.1
467.18579	2.6
471.56613	0.9
477.27954	1.1
478.28693	2.4
485.17294	1.3
495.29562	1.2
496.29596	3.5
549.33710	1.3
693.30774	2.5
711.29828	100.0
712.31006	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	710.3877
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21790	0.1
55.05510	0.4
55.96133	0.1
56.05037	0.7
56.96562	0.2
57.03444	0.2
58.06611	0.4
60.08166	5.7
65.03948	0.2
67.05508	0.8
69.03429	0.2
69.07030	0.2
70.06581	0.3
71.04996	0.2
71.07377	3.2
71.62061	0.2
79.05505	0.4
81.03419	1.6
81.07074	0.7
83.04969	0.3
83.08619	0.3
85.02899	0.4
86.09707	29.9
87.10036	0.3
91.05492	0.7
93.07032	0.5
95.04971	0.5
95.08615	0.4
97.02880	0.3
98.98469	3.2
99.08103	0.1
104.10750	2.1
105.07037	0.9
107.04982	0.2
107.08595	0.4
109.02849	0.2
109.10146	0.1
111.08134	0.2
117.07063	0.2
119.08585	0.5
121.10161	0.2
123.07996	0.1
124.11243	0.3
125.00006	20.1
127.03906	0.2
129.06992	0.3
131.08575	0.2
133.10129	0.6
137.05933	0.3
137.09651	0.1
141.60063	0.1
143.01074	0.2
147.04396	0.4
147.11620	0.3
149.09657	0.2
157.10141	0.2
175.11159	0.3
184.07343	100.0
185.07668	0.7
193.12236	0.5
197.19724	0.1
203.10780	0.1
211.13258	0.4
259.09143	0.1
267.15872	0.8
285.16934	0.4
394.36523	0.2
454.13260	0.2
459.27283	0.6
477.28323	0.9
495.29419	0.2
660.35120	10.0
661.34863	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02753	1.9
52.18407	1.9
53.03938	5.2
55.01871	2.9
55.05511	24.4
57.03445	14.9
57.07066	3.3
58.16198	1.7
58.71605	1.8
65.03927	2.8
67.05508	76.1
67.05869	3.8
68.13656	2.0
69.03438	12.5
69.07079	16.1
69.22793	12.3
69.23222	7.7
71.04994	10.5
73.02904	2.5
73.17358	1.6
77.69965	1.7
79.05500	45.0
80.82777	1.9
81.03423	25.9
81.07063	100.0
81.23894	1.8
83.04998	14.6
83.08620	11.3
85.02892	5.3
85.06544	7.4
87.04469	2.7
89.06024	5.7
89.73092	1.9
91.05487	32.4
93.07051	46.5
95.04969	8.0
95.08607	35.5
96.08930	2.2
97.02893	8.1
97.06535	5.6
97.10172	3.3
99.04461	5.7
99.08123	3.9
103.03931	2.7
105.07034	48.2
106.07368	6.8
107.08607	24.2
109.06489	3.2
109.10158	12.5
111.04421	2.4
111.08058	3.5
117.07008	9.0
119.08604	11.3
121.10171	19.3
123.11719	7.3
125.09629	2.3
127.03908	6.0
129.05533	11.0
131.08560	11.9
133.06422	2.4
133.08626	2.4
133.10144	18.4
135.11719	14.1
145.10124	7.7
147.11716	5.9
149.09508	2.1
149.13232	14.2
151.11188	4.2
159.11742	10.9
161.13223	2.5
173.04486	12.8
173.13225	4.0
175.06108	2.6
177.12778	7.3
183.11600	2.2
184.07370	3.3
187.13329	6.2
195.13824	4.5
221.90181	1.9
234.40617	2.1
243.15941	28.2
261.22266	7.6
267.16037	3.8
269.17551	17.2
278.59180	1.9
287.18552	3.7
335.25806	65.4
335.29819	3.2
336.26294	4.2
337.26431	2.1
339.18018	3.8
351.23105	2.4
362.04468	1.9
368.92099	2.0
413.21588	4.6
431.22797	4.9
503.37384	55.7
529.38702	13.0
547.39844	7.3
563.37775	2.3
673.42828	4.0
691.44061	11.0
709.36981	2.3
709.52460	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	708.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91215	1.8
53.03933	5.5
55.01880	15.3
55.05259	1.9
55.05513	28.9
57.03440	25.1
57.07067	3.5
61.02911	7.7
65.03913	2.9
67.05167	3.0
67.05507	46.2
69.03436	9.8
69.07063	14.4
71.01347	1.8
71.04980	7.6
71.12169	3.3
71.12503	2.1
73.02900	8.2
79.05057	2.6
79.05497	48.1
80.76034	1.6
81.03416	94.6
81.07058	44.2
82.03749	2.1
82.04192	4.2
83.04982	28.9
83.08624	30.1
85.02908	28.4
85.06539	2.2
86.09692	2.3
91.03944	2.8
91.05482	52.2
93.07046	32.7
95.04971	43.5
95.08620	18.6
97.02891	10.0
97.06535	11.5
97.10172	14.9
98.07319	5.9
99.04460	2.6
99.08125	3.8
101.06097	1.8
103.05488	2.3
105.04524	2.0
105.07043	28.7
107.04963	14.6
107.08588	16.2
109.06499	7.2
109.10164	17.2
111.04433	7.2
111.08077	17.3
113.05994	1.9
115.05421	2.4
116.04701	10.4
117.07045	5.9
118.68531	1.6
119.08579	32.1
121.06505	5.6
121.10138	15.1
123.08072	5.4
123.11712	3.8
125.05911	1.8
125.09621	23.1
127.03969	3.2
127.11198	2.7
127.24416	1.8
129.05499	25.7
129.06985	16.0
130.07794	2.2
131.08577	18.0
133.06474	4.8
133.10141	22.6
135.08012	2.8
135.11664	6.3
136.08858	1.7
137.09605	7.1
137.27644	1.7
139.11188	2.0
142.07748	4.1
143.06998	5.7
145.10107	7.8
147.04372	1.9
147.08003	6.0
147.11687	19.4
149.09607	7.7
151.11258	1.8
153.12724	5.7
157.08595	12.8
157.10130	24.4
159.11632	2.4
161.09634	1.7
163.11191	13.3
165.12775	6.2
171.06493	3.7
171.10092	3.2
173.09659	2.7
173.11720	3.7
175.11154	20.6
179.10938	1.9
181.12288	4.0
184.07388	6.2
189.11235	6.6
191.10637	2.9
193.12251	72.8
199.13309	15.7
200.14041	2.1
201.14906	2.5
209.11723	10.1
210.12544	2.1
211.13295	100.0
212.13617	2.5
227.12820	13.0
229.14302	5.1
244.47186	1.7
247.13159	3.6
249.14874	2.6
255.15894	4.2
265.14157	2.1
267.15939	33.2
269.17633	1.7
277.32281	1.5
283.15366	14.8
284.16159	2.6
285.16953	67.5
301.16479	65.4
301.19928	3.1
339.18124	3.6
367.21262	2.2
396.34628	1.7
409.25800	3.0
427.26355	1.9
439.26886	11.9
459.27200	3.5
461.28952	4.7
475.26923	4.2
476.27438	2.6
477.28442	6.2
479.30032	3.9
493.28040	22.3
494.28510	6.3
511.29047	63.6
708.35736	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49268	2.4
53.03945	11.0
55.01872	11.8
55.05289	2.9
55.05512	30.9
56.96564	2.9
57.03438	12.1
59.99953	2.2
61.02916	7.2
63.30003	2.4
65.03946	4.8
67.05163	3.7
67.05510	68.2
69.03445	23.5
69.07090	16.7
70.15809	2.6
70.16142	9.0
71.04982	10.4
73.02915	4.2
77.50898	2.0
79.05497	53.8
81.03422	100.0
81.07061	62.1
83.04988	41.9
83.08626	22.0
85.02903	18.4
85.06528	2.8
91.05480	42.6
93.07052	46.3
95.04979	22.6
95.08616	48.3
97.02888	20.7
97.06515	10.9
97.10156	7.9
99.04424	4.2
103.05440	2.6
105.07037	37.7
107.04944	9.2
107.08599	25.0
109.02897	15.1
109.06487	5.7
109.10151	22.1
111.04453	21.0
111.08088	12.0
115.05417	2.9
117.07013	12.4
119.08589	34.3
121.06471	6.3
121.10159	25.4
123.04391	2.8
123.08083	2.8
123.11700	7.7
123.80201	2.5
125.09609	5.3
127.03892	9.3
129.05452	10.1
129.07051	12.3
131.04871	2.9
131.07881	2.1
131.08588	22.8
133.06548	4.7
133.10124	20.0
135.08092	4.4
135.11734	14.9
140.52495	2.3
141.06963	2.8
142.07806	3.2
143.08528	7.6
145.06487	3.6
145.10159	16.0
147.08038	5.3
147.11693	21.0
149.09618	7.3
149.13263	4.8
153.12715	7.3
155.08551	4.2
157.10103	10.2
159.11708	7.9
161.13269	6.5
163.07646	2.6
163.11214	13.4
171.11681	3.1
173.09598	3.1
173.13194	5.0
175.11208	10.1
175.14760	2.3
181.12263	7.6
185.13292	4.0
187.14885	3.2
191.10632	5.4
193.12265	35.9
195.11716	3.2
197.13252	3.1
211.13277	47.1
227.12837	15.3
229.14401	3.6
234.45589	2.3
261.22070	9.9
267.08951	6.2
267.15891	13.7
269.12207	2.5
283.15359	5.2
285.10034	8.9
285.16992	17.3
301.21548	2.3
317.24725	2.8
327.23422	3.2
335.25848	22.5
337.27304	10.4
349.15503	2.9
350.44360	2.5
355.17606	3.2
369.24170	6.6
387.25235	4.2
405.25827	4.0
413.86273	2.9
427.19540	5.4
429.21237	6.5
446.23126	6.9
446.73444	4.1
454.22159	7.1
461.29132	3.9
463.23291	4.0
527.37122	6.5
545.38483	22.8
558.51422	2.9
653.40631	4.3
671.41296	5.8
689.42761	14.3
707.41455	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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	14.6
55.01883	4.9
55.05515	44.7
56.96570	2.5
57.03447	19.0
61.02917	4.5
65.03932	6.5
67.05510	77.6
67.13127	2.5
69.03439	21.3
69.07082	22.8
71.04999	11.6
71.08643	2.5
72.50562	2.5
79.05496	59.8
81.03421	100.0
81.07061	89.4
81.36898	2.4
83.04984	49.4
83.08620	23.5
85.02913	21.4
85.06561	2.7
90.04652	2.7
91.03906	3.0
91.05489	47.5
93.07054	69.5
95.04541	2.1
95.04980	26.7
95.08611	49.8
97.02905	27.8
97.06527	7.7
97.10169	7.2
99.04456	6.3
101.02373	3.3
105.07037	44.0
107.04951	7.4
107.08605	33.3
109.02879	13.5
109.06515	4.5
109.10146	22.2
109.10762	3.4
111.04456	25.9
111.08081	16.2
115.05489	4.6
117.07006	10.0
119.08587	36.0
121.06481	5.1
121.10130	27.1
123.08032	6.4
123.11703	11.4
125.09619	3.6
127.03915	13.1
129.05475	13.4
129.06984	12.0
131.08585	28.6
133.06519	4.2
133.10150	16.7
135.08058	4.8
135.11710	22.2
141.07028	3.2
142.07753	4.3
143.08575	7.7
145.10130	19.9
147.08072	5.1
147.11719	24.1
149.09668	6.8
149.13278	5.5
153.12740	7.5
155.08554	3.9
157.06451	2.7
157.10130	18.5
159.11705	7.9
161.13234	7.7
163.11172	7.3
163.14761	3.0
165.12784	3.5
169.10138	3.9
171.11630	4.6
173.13271	7.7
175.11197	12.1
181.10222	3.1
181.12231	9.6
191.10638	9.6
193.12238	44.0
197.13326	3.4
207.06416	2.6
211.11278	5.2
211.13300	67.8
227.12814	10.9
229.14330	5.7
243.21040	4.3
261.22098	8.0
267.09003	5.1
267.15961	11.9
283.06296	3.9
283.15430	6.9
285.10211	6.2
285.16959	16.6
301.21796	2.8
335.25854	46.2
337.16452	3.1
337.27347	9.4
351.23291	3.1
355.17651	3.2
369.24329	5.4
429.21222	9.2
479.30609	3.4
511.92023	2.7
527.37012	7.5
545.38416	47.0
567.58960	2.8
653.40125	3.5
671.41431	3.2
689.42664	18.6
707.42029	10.4
722.00879	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	707.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	4.0
53.03935	15.0
55.01875	9.3
55.05513	44.8
57.03437	19.6
57.07069	6.0
61.02419	4.0
65.03938	4.7
66.82153	3.8
67.05159	6.7
67.05508	74.1
69.03426	26.6
69.07073	16.5
69.31232	27.6
69.31634	6.3
71.04997	9.1
79.05496	54.8
81.03419	100.0
81.07057	70.7
83.04986	38.3
83.08616	30.2
85.02921	20.8
87.04474	34.4
91.05482	46.1
93.07043	56.3
94.61784	3.4
95.04965	28.8
95.08612	57.6
95.38600	3.2
97.02892	24.9
97.06522	10.1
97.10156	8.3
99.04463	6.7
99.08089	4.4
105.07021	45.5
107.04959	10.2
107.08607	27.7
109.02882	15.5
109.06527	3.9
109.10153	22.3
111.03796	3.6
111.04456	23.7
111.08092	10.9
113.06017	3.9
117.07037	17.1
119.08575	33.1
121.06538	6.4
121.10151	27.2
123.11717	8.2
127.03947	10.7
129.05476	10.4
129.07021	17.4
131.08569	23.8
133.06555	5.8
133.10115	17.7
135.08055	5.5
135.11699	15.7
137.09647	3.7
142.07809	5.4
143.08580	8.7
145.01540	3.8
145.06436	4.7
145.10110	20.1
147.08101	4.4
147.11696	27.0
149.09668	7.7
149.13248	6.2
153.12767	5.8
155.08649	6.1
157.10117	21.4
159.11734	8.9
161.13324	6.0
163.11230	12.8
165.12804	5.2
165.76306	3.3
169.10138	5.9
171.11708	8.7
173.13277	6.7
175.11194	11.0
181.12297	9.3
183.11745	5.5
184.07358	8.0
191.10701	11.0
193.12227	42.1
197.13162	3.8
204.88889	3.5
211.13297	56.1
227.12755	17.1
229.14595	4.1
234.51175	3.6
259.20499	4.5
261.22147	11.9
267.15958	14.0
277.21698	3.8
283.15448	11.1
285.17102	23.0
291.15948	3.8
301.16730	4.2
335.25769	17.4
337.27509	9.7
369.24353	6.7
387.25470	4.6
405.26532	6.1
429.21362	9.5
461.28851	4.5
479.29959	4.5
525.81818	3.9
527.37238	6.2
545.38489	41.3
563.39081	5.7
653.40643	10.2
671.40918	4.1
689.42383	19.9
699.87195	4.4
707.45953	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	706.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26838	0.1
52.50611	0.1
55.05496	0.2
56.05040	0.8
57.07060	0.2
58.06612	0.4
59.07394	0.2
60.08165	6.1
67.05495	0.5
69.07088	0.2
70.06564	0.1
71.04984	0.1
71.07373	3.5
71.08644	0.1
77.62215	0.1
79.05495	0.4
81.03413	0.3
81.07058	0.5
83.04980	0.2
83.08630	0.2
85.02927	0.1
86.09706	32.6
87.04457	0.5
87.10040	0.1
89.06006	0.1
91.05471	0.4
93.07049	0.4
95.04990	0.2
95.08596	0.4
98.98468	3.4
104.10745	2.4
105.07008	0.6
105.81193	0.1
107.08617	0.1
109.10190	0.2
121.10133	0.1
125.00006	20.8
127.03976	0.1
135.08058	0.1
143.01053	0.1
145.10117	0.1
149.13293	0.1
155.32445	0.1
184.07343	100.0
185.07648	0.6
193.12363	0.1
211.13405	0.3
267.15829	0.1
335.26187	0.1
396.64517	0.1
482.19040	0.1
496.33957	0.3
545.38940	0.2
706.46808	5.8
707.47443	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57671	1.1
55.05508	1.1
57.07069	1.4
57.37462	1.2
60.08168	1.6
67.05504	4.9
69.07063	1.4
71.62220	1.7
79.05486	2.8
81.03411	2.5
81.07054	3.7
83.08613	1.3
86.09704	8.5
87.04472	4.4
91.05478	1.6
93.07082	2.0
95.08603	3.5
104.10699	1.2
105.07058	3.5
107.08602	1.8
109.33050	1.4
116.58292	1.3
125.00014	5.7
184.07350	29.1
185.07761	5.4
193.12250	2.0
303.45480	1.2
616.30609	1.3
707.37567	100.0
707.47192	4.2
708.37860	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	707.3781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	0.9
55.05514	1.9
57.03447	1.2
59.22762	0.7
60.08159	1.9
67.05511	4.1
68.48387	0.7
69.03439	2.2
69.07079	1.4
69.94116	3.2
71.05006	1.1
71.07376	1.1
79.05499	4.0
80.05860	1.2
81.03427	5.3
81.07061	4.2
83.04990	2.5
83.08612	1.6
86.09730	7.0
87.04486	2.9
87.10067	1.3
91.05472	2.6
92.05795	0.9
93.07053	4.2
95.08610	3.3
96.08987	0.9
97.02915	2.1
98.20763	1.0
98.98452	1.7
105.07025	5.1
107.08601	2.3
109.02914	1.2
109.10150	1.5
109.20240	0.8
111.04425	1.1
119.08627	1.9
121.10168	1.3
125.00018	6.3
127.03917	1.4
131.08563	1.2
132.08908	1.3
133.10172	1.4
135.11746	1.1
145.10156	1.3
147.11699	1.2
163.11208	1.0
173.13402	0.7
174.42679	0.8
184.07352	26.6
185.07773	2.3
227.12888	1.3
535.26672	1.0
545.37878	2.1
707.37640	100.0
708.38098	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	707.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.2
53.03951	9.9
55.01862	7.1
55.05511	37.0
57.03444	13.4
57.07079	1.9
59.53508	1.7
61.02908	2.4
64.08430	2.0
65.03933	4.7
67.05508	82.1
67.05866	4.3
69.03432	25.1
69.07073	21.4
70.15949	5.5
70.16367	3.2
71.01353	2.0
71.04997	9.3
79.05047	4.0
79.05492	56.9
81.03422	100.0
81.07060	77.4
83.04987	45.6
83.08625	25.7
85.02911	21.9
85.06509	3.8
91.05484	51.4
93.07049	58.7
95.04974	26.0
95.08048	3.5
95.08614	53.1
97.02898	25.4
97.06534	8.2
97.10149	6.7
99.04459	6.1
99.08070	3.0
105.07032	46.3
107.04965	5.8
107.08608	30.1
109.02872	12.4
109.06529	5.9
109.10157	25.3
111.04455	20.9
111.08093	13.3
115.05451	2.1
115.48902	2.1
117.07034	13.1
118.96784	1.6
119.07794	2.2
119.08587	32.6
121.06500	4.4
121.10155	24.6
123.04402	1.9
123.08119	4.0
123.11743	11.7
124.99968	2.4
125.09608	4.0
127.03937	11.3
128.06218	2.3
129.05495	18.9
129.06963	10.2
131.08580	22.7
133.06496	4.0
133.10123	19.1
135.08044	3.8
135.11703	19.1
137.09584	4.1
142.07741	2.7
143.08557	5.5
145.06477	3.3
145.10127	17.2
147.08009	3.4
147.11707	22.4
149.09634	7.9
149.13268	7.7
153.12720	9.3
155.08517	5.1
157.10133	14.2
159.11687	11.1
161.13281	7.0
163.11221	10.3
163.14896	3.4
165.12773	3.5
168.10486	2.0
169.10110	3.8
171.11678	4.8
173.13255	9.4
175.11205	13.7
181.10091	2.7
181.12224	8.3
183.11732	3.7
184.07306	5.0
185.13318	4.4
187.14828	3.6
191.10658	7.6
193.12248	48.0
197.13281	2.7
199.11198	2.2
209.11742	3.7
211.11278	3.9
211.13303	75.5
227.12767	16.6
229.14359	6.5
235.17343	2.0
243.21094	2.7
259.20575	2.5
261.15015	2.5
261.22159	15.2
267.15875	14.2
273.18652	2.0
277.21799	2.5
277.95764	2.0
279.23361	2.0
283.15277	10.1
285.16931	17.3
289.21725	2.2
301.21530	3.2
303.22968	2.9
317.24780	3.9
324.11859	1.9
335.25848	44.1
337.16345	2.8
337.27319	13.0
341.24802	2.4
351.23056	2.5
355.17505	5.3
369.24246	5.1
387.25146	3.7
405.26529	3.7
411.20300	2.1
429.21344	8.9
443.28128	3.7
461.28848	2.4
479.29858	4.5
527.37567	11.5
543.36829	2.5
545.38373	42.9
623.39929	2.1
653.40063	5.9
671.40967	4.5
689.42719	15.1
707.43842	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	706.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
55.01864	3.8
55.02797	1.0
55.05515	13.2
57.03442	14.0
61.02920	1.8
65.03944	1.7
67.05507	21.3
68.63512	0.9
69.03418	3.4
69.07074	6.7
70.91623	2.5
71.04987	4.4
79.05497	21.8
81.03420	90.9
81.07056	22.3
82.03764	1.2
83.04981	12.5
83.08620	23.4
85.02907	12.7
85.06551	1.8
86.09679	1.5
87.04478	1.1
91.05480	30.6
92.52460	1.1
93.07053	19.2
95.04974	28.7
95.08603	9.3
95.62409	1.1
97.02890	5.3
97.06516	3.1
97.10169	6.2
105.07032	22.5
107.04981	9.7
107.08598	10.2
109.06511	5.9
109.10172	5.6
111.04458	2.8
111.08089	11.2
113.06001	1.2
115.05422	2.4
117.07021	4.6
119.04939	3.1
119.08591	20.3
121.02093	1.0
121.06503	6.6
121.10144	12.6
123.08055	3.5
123.11703	1.6
125.09613	3.4
127.03954	1.6
128.06235	1.4
129.07027	13.5
131.04906	3.2
131.08572	11.9
133.06506	5.3
133.10152	10.4
135.08121	1.8
135.11679	1.6
137.05951	1.5
137.09630	2.7
142.07785	2.8
143.08557	1.3
145.06459	2.8
145.10110	3.5
147.04410	2.7
147.08047	6.3
147.11681	10.7
149.09605	6.6
153.01755	1.1
155.08566	2.0
157.06473	1.3
157.10133	13.1
159.08054	1.4
161.09532	1.5
163.11192	3.1
165.12726	2.6
169.10144	1.9
171.08112	1.8
173.09525	1.5
175.11203	12.9
187.11197	1.4
189.11092	1.6
191.10768	1.4
193.12262	32.4
195.11662	1.5
197.13228	1.2
206.04517	1.6
209.11702	1.2
211.13301	19.6
227.12749	1.5
233.15350	1.7
237.12640	1.2
249.14792	3.4
255.13792	2.1
267.15921	100.0
268.16306	1.7
273.14893	3.8
283.15411	3.0
285.10306	1.6
285.16956	16.5
341.21051	1.3
349.21487	3.3
357.24271	1.5
367.22638	11.7
373.66953	1.5
385.23828	10.0
403.24753	2.5
433.25906	13.6
441.26285	4.7
459.27429	66.7
460.27826	1.6
477.28528	43.1
509.27719	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	706.401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.0
55.01874	5.3
55.05516	15.6
57.03439	8.2
57.07061	2.2
59.04994	2.7
60.87560	0.9
61.02912	4.5
65.03928	1.8
67.05508	50.6
69.03428	3.8
69.07074	8.0
71.04998	23.7
79.05041	1.7
79.05495	25.5
81.03423	11.8
81.07061	86.5
83.01335	6.7
83.04986	11.3
83.08632	13.1
85.02908	5.8
85.06554	8.4
86.09706	2.7
91.03941	1.8
91.05479	26.4
93.07053	31.4
95.04972	5.9
95.08613	14.6
97.02885	3.7
97.06520	6.8
97.10188	2.8
99.04433	2.1
105.07028	14.7
107.04966	7.5
107.08598	17.8
109.02928	1.1
109.06520	8.2
109.10162	6.7
111.04443	4.0
111.08061	2.2
115.05451	1.3
117.07051	7.9
119.08604	9.8
121.06507	3.7
121.10156	10.2
123.08070	7.4
123.11714	13.1
125.05975	1.6
125.09647	1.7
127.03868	1.0
129.07083	1.2
130.07744	1.4
131.08569	6.3
133.10135	16.0
135.08083	2.0
135.11697	11.3
137.09615	2.2
139.07516	1.0
145.06523	1.2
145.10129	14.9
149.09727	1.5
149.13254	6.7
151.11166	6.3
153.12769	2.4
159.11705	4.2
163.11211	21.3
173.09659	3.0
174.19431	1.1
177.12750	1.6
181.12213	2.8
183.13850	3.1
184.07370	4.3
187.13275	4.1
191.10675	2.9
195.13805	2.4
209.11777	3.8
227.12793	3.0
241.14375	1.4
257.17383	1.6
265.14279	1.6
269.17480	9.7
283.15402	19.2
301.20059	14.9
414.06781	1.3
433.25317	1.4
451.26941	94.8
452.27145	4.2
459.27280	2.1
465.28564	8.2
477.28503	42.9
477.35428	2.1
478.28659	2.2
509.31149	100.0
510.31363	3.2
688.43597	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90252	1.5
51.29113	1.8
51.87608	1.4
53.03938	4.6
55.01880	20.1
55.05518	31.0
57.02599	1.4
57.03442	22.4
59.05003	5.2
61.02930	8.2
65.03963	1.9
67.05509	43.4
69.03433	13.2
69.07064	11.9
71.05009	9.8
71.61389	1.8
73.02921	6.3
77.71996	1.6
79.05501	45.2
80.06246	1.7
81.03426	36.8
81.07062	42.7
82.04191	4.7
83.01346	7.6
83.04983	21.3
83.08626	16.7
84.02199	1.8
85.02913	20.6
85.06547	4.8
86.09711	8.0
87.04476	2.6
91.03957	3.3
91.04939	2.9
91.05485	31.9
93.07052	40.8
95.04983	24.4
95.08609	21.5
97.02909	12.2
97.06538	10.0
97.10177	12.2
98.07297	5.5
98.97592	5.1
99.04457	4.2
103.05469	2.1
105.07036	20.7
107.04967	14.2
107.08606	26.4
109.02896	2.4
109.06528	15.9
109.10175	10.2
111.04436	5.4
111.08086	6.1
115.03940	3.7
115.05418	2.1
116.04727	12.3
117.07036	11.3
119.08590	19.5
121.06503	7.0
121.10136	14.7
123.08086	13.0
123.11705	2.7
124.99994	5.7
125.05948	2.3
125.09655	15.8
127.03951	1.6
129.05492	26.5
129.06990	5.4
129.07925	1.6
130.07654	1.4
131.08572	9.1
133.05014	1.8
133.06480	2.0
133.10135	9.5
135.08057	5.1
135.11688	17.4
137.09645	4.4
137.87482	1.9
139.07588	1.9
142.07770	2.1
143.07048	5.1
143.08592	2.2
145.04980	1.5
145.06477	2.0
145.10127	22.6
147.08063	5.6
147.11685	11.1
149.09625	5.0
151.07600	1.7
151.11105	1.9
153.12738	5.2
155.08505	1.7
157.08606	12.2
157.10118	8.1
163.11201	30.9
165.12816	3.4
171.10168	2.9
173.09665	5.5
173.11531	1.9
175.11227	4.7
181.12251	6.7
184.07372	24.9
185.11821	1.6
189.11229	7.2
191.10707	6.5
193.12263	6.3
199.13231	7.8
200.14064	3.2
201.14830	2.4
209.11745	11.9
210.12566	2.0
211.13321	4.6
219.01799	2.6
223.13280	2.7
227.12807	18.9
229.14304	2.8
234.98918	2.0
267.15970	18.8
269.17520	3.8
275.93036	1.7
281.17502	2.4
283.15433	100.0
284.15964	3.5
285.17014	3.4
301.16458	73.5
359.17236	2.0
360.17764	1.9
406.72427	2.5
421.18491	1.8
425.25623	1.7
437.25272	6.6
451.27060	3.6
457.25806	3.2
459.27252	6.2
473.28931	6.4
474.26230	1.8
475.27094	9.0
477.28577	11.6
479.74841	2.2
491.27112	2.4
492.27145	5.6
509.27347	87.0
510.27783	1.8
527.27637	2.1
656.35132	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	705.4571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03726	1.6
53.03952	8.9
55.01877	3.9
55.05519	22.2
57.03438	7.9
57.07072	2.4
59.04990	2.4
61.70000	1.7
63.43705	1.5
65.03941	4.8
67.05508	90.4
68.05854	1.7
69.03432	27.3
69.07072	18.7
69.35632	2.8
69.36040	11.8
71.04998	57.6
79.05496	67.8
81.02966	3.3
81.03423	46.9
81.07062	100.0
83.04985	13.2
83.08629	11.6
85.02913	5.4
85.06544	7.9
86.09742	2.3
87.04486	1.8
91.05487	66.3
93.07053	61.9
95.04968	15.7
95.08614	33.4
97.02889	10.9
97.06539	10.5
97.10174	3.4
99.04452	6.9
99.08069	4.0
100.79411	1.7
105.07041	37.2
107.04948	3.4
107.08605	32.7
109.02884	11.4
109.06529	3.6
109.10172	15.9
111.04430	8.7
111.08098	4.0
115.05465	1.9
117.07044	15.6
119.08600	19.0
121.06482	2.2
121.10153	20.2
123.08121	3.8
123.11724	13.0
127.03957	9.1
128.06264	3.1
129.05473	3.0
129.07007	7.9
131.08571	19.2
131.59659	1.8
133.06494	2.2
133.10149	28.4
135.08075	2.1
135.11702	14.1
137.09627	2.0
143.08566	6.5
145.06451	2.6
145.10120	13.6
147.11696	12.7
149.09615	2.8
149.13264	12.3
151.11249	11.9
155.08662	2.4
157.10150	6.2
159.08104	2.3
159.11691	18.0
161.13297	3.9
163.11131	1.8
165.12669	1.6
167.08539	2.2
169.12250	2.6
171.11665	3.5
173.04463	12.1
173.13208	3.8
175.11275	3.3
175.14812	2.4
177.12753	7.6
179.14319	2.6
183.11714	2.0
183.13785	7.1
184.07364	7.3
187.11511	2.5
187.13290	17.3
193.12251	1.9
195.13837	7.5
201.14827	4.2
209.15396	1.9
213.14932	2.8
243.15891	2.0
257.17444	4.5
259.20502	3.6
261.22131	6.3
269.17493	3.6
275.16238	1.6
289.21426	1.8
301.21277	2.8
317.24838	2.5
335.25702	4.3
339.18054	6.6
341.24817	2.5
349.27255	3.1
351.23239	4.5
369.24426	5.9
387.25342	2.8
395.20697	3.4
427.23441	2.2
443.27994	4.4
461.28888	3.1
503.37405	2.8
517.39172	9.2
529.38928	4.4
561.41345	3.6
655.42065	5.0
673.43445	10.0
705.45721	46.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.5
54.99165	1.9
55.01868	13.6
55.05259	2.2
55.05510	35.1
57.03440	14.1
57.07069	5.2
59.72511	1.9
65.03923	4.7
67.05164	4.6
67.05505	68.4
69.03134	2.4
69.03439	32.9
69.07059	20.5
69.44295	13.6
71.01340	2.8
71.04996	15.0
73.02893	3.5
79.05497	47.7
81.03421	100.0
81.07056	70.8
83.04988	30.3
83.08615	18.9
85.02892	8.4
85.06536	6.7
86.09694	8.7
87.04448	3.0
89.06011	2.6
91.05487	40.3
93.07046	59.2
95.04969	14.2
95.08051	2.8
95.08611	42.0
97.02890	24.9
97.06538	10.6
97.10171	20.5
99.04447	12.1
99.08098	2.5
105.07034	48.3
107.04973	10.9
107.08588	42.8
109.02875	24.5
109.06516	5.8
109.10155	24.7
111.04455	24.7
111.08083	8.6
115.05438	3.0
117.07025	19.1
119.08567	26.5
121.06535	4.1
121.10166	27.0
123.04440	2.8
123.08039	5.3
123.11701	9.1
124.99979	7.5
125.09641	14.2
127.03905	16.3
128.06223	5.5
129.06987	12.8
130.84317	2.2
131.08577	29.1
133.06485	3.4
133.10136	20.9
135.08054	5.1
135.11696	29.0
141.06927	4.8
143.08551	11.1
145.06500	2.3
145.10115	25.7
147.08041	4.0
147.11665	14.0
149.09624	5.0
149.13257	5.8
153.12750	14.5
155.08591	3.7
157.06427	2.8
157.10130	11.0
159.07860	2.6
159.11700	14.5
161.13225	7.4
163.11171	23.0
167.08548	3.1
169.10094	4.6
171.08067	2.6
171.11589	11.2
173.04469	29.7
173.09555	5.0
173.13249	10.5
175.11163	2.6
177.12680	2.9
181.09967	2.6
181.12251	17.3
183.11743	5.2
184.07372	28.4
184.08920	3.3
185.07620	3.0
185.13264	5.7
187.11174	4.7
187.14772	6.1
189.11171	8.2
189.12698	2.9
191.10654	15.1
193.12283	3.7
195.11711	5.7
197.13199	4.8
199.11215	3.3
199.14880	3.7
201.16333	3.0
209.11606	5.6
209.13345	2.8
211.13235	3.0
215.14291	2.7
223.14983	3.1
227.12766	48.8
239.18031	2.7
243.21173	3.6
259.20483	5.4
259.61856	2.1
261.22098	7.2
267.68317	2.5
277.21689	2.4
283.15317	15.4
299.23648	7.9
301.16357	5.5
301.21518	3.3
335.25836	21.9
351.22949	3.0
353.15912	6.2
369.24344	4.7
387.25308	3.8
427.19550	10.3
433.30966	5.4
443.27719	2.7
451.31943	9.6
469.32990	6.2
487.34445	3.0
515.36993	3.4
525.35785	14.0
543.36829	69.5
561.37463	8.2
651.38934	3.1
669.39441	5.3
687.41003	13.6
705.41339	36.0
706.42542	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41389	2.7
53.03944	15.8
53.08939	2.7
53.51928	2.4
55.01869	15.8
55.05514	38.2
57.03441	13.1
57.07092	4.5
58.37373	2.3
60.08164	4.3
63.88026	2.5
65.03938	5.9
66.93145	2.4
67.05157	5.6
67.05508	88.3
69.03433	32.5
69.07080	22.0
69.36721	24.7
71.04990	14.1
73.02909	4.8
79.05496	69.5
81.03424	100.0
81.07061	71.2
83.04982	35.7
83.08624	23.9
85.02898	14.5
86.09711	13.2
87.04479	4.2
89.60542	2.7
91.05488	48.8
93.07056	75.9
95.04454	3.5
95.04984	19.8
95.08609	46.5
96.12621	2.4
97.02891	32.4
97.06528	10.8
97.10195	20.1
97.10725	4.0
99.04465	10.0
99.08112	3.3
105.04532	3.8
105.07040	50.5
107.04952	9.4
107.08592	40.2
109.02880	21.0
109.06535	5.2
109.10154	29.0
111.04440	22.0
111.08096	12.7
115.05422	3.6
117.07037	18.7
119.04955	3.1
119.08588	30.8
120.67363	3.3
121.06512	5.7
121.10162	31.7
123.08083	4.5
123.11716	5.2
125.00034	8.2
125.09654	17.6
127.03936	18.0
129.05521	3.6
129.07021	9.9
131.08571	34.7
133.06528	4.5
133.10118	18.0
135.08095	4.0
135.11690	30.8
141.06990	5.5
143.08563	11.7
145.06496	3.8
145.10130	30.1
147.04402	9.8
147.08072	4.9
147.11713	22.2
149.06078	2.6
149.09563	4.2
149.13232	9.6
153.12766	19.5
155.08530	6.0
157.10193	8.9
159.11723	15.2
161.09636	5.0
161.13266	8.7
163.11197	30.0
163.14792	4.5
169.10146	8.5
171.11705	8.2
173.04478	24.8
173.09650	6.6
173.13300	8.7
175.11205	4.3
175.14891	5.8
181.10240	3.0
181.12236	23.5
183.11703	6.0
184.07353	49.6
185.13297	5.6
187.14839	3.3
189.11203	8.5
191.10654	22.8
199.14856	5.1
209.11812	9.2
211.13231	3.9
227.12775	48.0
259.20615	5.4
261.22183	9.9
283.15485	16.8
283.61862	3.0
299.23740	9.0
301.16470	4.0
301.21985	3.6
311.14999	3.5
315.23584	3.9
335.25754	31.2
353.15930	7.9
409.18533	3.2
418.88077	2.7
427.19690	6.7
433.30978	5.6
451.32007	7.0
487.41397	3.6
515.36853	4.3
525.35516	13.7
543.36865	54.7
561.37622	11.6
687.40656	17.5
705.41602	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	17.3
55.01885	19.4
55.05513	40.2
57.03434	14.6
57.07067	5.7
61.02940	2.8
63.34378	2.6
65.03940	5.5
67.05506	94.8
68.05827	2.8
69.03432	33.5
69.07072	29.4
71.01362	3.0
71.04992	13.2
73.02905	3.4
78.74384	2.7
79.05496	68.7
81.03419	100.0
81.07058	91.2
83.04979	28.0
83.08620	19.4
85.02920	13.4
85.06551	6.5
86.09708	3.5
91.05482	64.5
93.07049	77.3
95.04970	19.5
95.08608	58.2
97.02891	32.4
97.06535	21.8
97.10178	12.3
99.04466	15.9
99.08092	4.4
103.05464	3.0
105.07037	53.3
107.04980	15.0
107.08600	46.7
107.29782	2.6
109.02872	23.0
109.06526	11.5
109.10167	24.3
111.04457	25.0
111.08088	11.5
115.05473	5.5
117.07009	30.6
119.08592	43.1
121.06509	8.0
121.10145	33.5
123.04438	4.7
123.08051	5.4
123.11729	9.4
125.09612	12.2
127.03929	19.9
128.06184	3.0
129.05499	3.7
129.07004	13.6
131.08574	37.3
133.06473	3.6
133.10126	27.3
135.08096	5.1
135.11703	26.4
137.09634	4.3
139.07530	3.0
141.06990	6.7
143.08557	11.7
145.06509	6.4
145.10150	27.7
147.11708	18.4
149.09593	8.3
149.13293	9.9
151.11136	3.6
153.12796	14.5
155.08565	8.1
157.06546	3.2
157.10123	11.0
159.08096	5.1
159.11707	18.9
161.09607	4.6
161.13257	10.8
163.11183	21.8
167.08595	5.1
169.10150	7.4
171.11697	8.8
173.04451	20.6
173.09660	7.3
173.13292	11.2
177.12747	3.2
179.14325	3.5
181.10080	3.7
181.12219	15.3
183.11714	5.0
184.07355	5.0
185.13220	6.6
187.11194	3.4
189.11197	7.4
191.10646	17.0
195.11818	5.2
195.13846	6.2
197.13269	4.4
199.14888	3.2
209.11746	6.9
209.13451	3.4
211.14857	4.4
227.12720	35.3
227.14516	3.7
257.18948	3.1
259.20633	3.2
261.22180	7.2
269.17511	6.5
273.18564	2.9
275.20139	31.5
283.15454	11.3
299.23685	6.7
301.16702	3.2
317.24802	3.7
335.25732	24.4
349.23743	13.5
353.15994	6.3
413.21683	9.5
427.19577	7.5
443.27917	2.9
451.31802	4.2
525.35760	8.8
529.38928	4.5
543.36810	56.1
561.38037	8.1
564.39850	4.1
687.41266	24.5
705.41998	25.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
68.29059	0.7
70.38154	2.1
90.69788	0.6
95.21113	0.7
112.89635	1.2
129.49429	0.7
212.85210	8.0
214.85065	1.4
256.88614	1.0
331.89587	0.7
424.98117	1.2
471.75238	0.8
543.13220	33.8
580.40448	0.7
705.18530	100.0
706.18677	3.0
724.76074	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.89195	0.6
68.82928	0.5
70.23715	0.6
71.60912	0.8
79.33524	0.6
81.98049	0.6
112.98495	0.6
117.41966	0.6
121.34841	0.6
157.93315	0.7
164.79955	0.6
173.03011	0.8
185.03020	0.9
198.98570	1.2
245.05190	1.6
331.31903	0.8
401.04221	0.8
543.13190	32.6
544.13513	0.9
601.05872	0.7
601.14990	0.9
619.83179	0.7
705.18518	100.0
706.19061	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	705.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.5
55.01869	12.7
55.05251	2.9
55.05512	40.3
57.03439	11.1
57.07074	5.1
59.31853	1.8
62.07677	1.9
65.03941	4.7
67.05506	67.2
69.03430	35.5
69.07065	16.5
71.04987	15.2
71.10784	3.7
74.36258	2.0
77.41910	1.9
79.05496	58.9
81.03420	100.0
81.06570	3.4
81.07057	64.4
83.04985	33.6
83.08627	18.6
85.02918	12.6
85.06539	6.7
91.05481	42.1
93.07047	60.2
95.04968	14.5
95.08607	39.9
96.90008	2.0
97.02898	26.3
97.06549	9.1
97.10192	13.7
99.04479	12.9
99.63639	2.3
105.07036	40.3
107.04960	7.3
107.08602	37.7
109.02886	23.3
109.06540	4.9
109.10152	24.8
111.04447	29.4
111.08079	10.4
115.05457	2.7
117.07008	18.0
119.08592	28.8
121.06522	3.4
121.10149	23.8
123.08081	6.3
123.11710	5.7
125.09631	15.4
127.03919	16.7
128.06232	4.6
129.05484	3.2
129.06995	13.7
131.04898	3.3
131.08559	25.4
133.10141	21.7
135.08037	7.0
135.11697	24.7
141.06975	4.3
143.08578	12.9
145.06497	3.4
145.10115	26.8
147.08020	1.9
147.11696	16.3
149.09674	5.8
149.13284	6.0
153.09106	3.1
153.12772	13.4
155.08598	7.5
156.55106	2.2
157.10161	9.3
159.08089	3.6
159.11717	17.1
161.09613	4.0
161.13280	8.1
163.11172	20.9
169.10117	4.4
171.11644	10.0
173.04465	35.9
173.05913	1.8
173.09650	6.6
173.13277	8.5
175.11296	2.5
175.14810	4.4
181.10194	4.0
181.12248	17.5
183.11687	6.1
185.13329	5.6
187.11139	3.5
187.14812	5.1
189.11215	9.7
191.10680	13.5
193.12296	6.3
197.13231	3.3
199.14894	4.3
201.16397	2.7
207.11758	2.5
209.11729	7.5
213.16304	2.9
227.12790	44.3
243.21111	2.7
255.08768	2.4
259.20471	5.2
261.22125	7.8
273.22162	2.9
275.20227	3.1
283.15387	20.4
289.21893	1.9
299.23727	6.9
301.16525	5.2
301.21527	4.1
315.23239	2.8
317.24783	4.9
333.24326	4.0
335.25778	24.8
351.23123	3.4
353.16003	4.3
369.24237	3.6
387.25479	2.3
392.16769	2.2
427.19601	10.8
433.31021	3.3
451.31934	4.4
464.32941	2.0
469.33252	3.3
515.37628	4.4
525.35907	13.0
543.36865	52.9
548.39966	2.4
561.38129	9.1
651.38757	4.0
669.39423	5.2
687.41278	15.4
705.41986	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51805	2.6
51.70974	2.4
53.03944	7.6
55.01860	7.4
55.05515	34.4
57.03425	12.0
57.07067	3.1
58.50923	2.7
61.02918	9.9
62.03393	2.5
62.14324	2.9
65.03932	5.1
67.05157	3.9
67.05505	52.1
69.01801	2.7
69.03427	20.9
69.07059	14.5
71.04990	8.7
71.61645	2.4
71.62081	4.3
73.02917	4.2
79.05502	40.9
81.03421	44.0
81.07060	46.0
82.07377	3.1
83.04973	10.9
83.08618	19.6
85.02903	12.9
91.03946	4.1
91.05486	37.0
93.07061	35.4
95.04993	18.9
95.08606	21.1
97.02899	14.8
97.06521	8.8
97.10155	12.3
99.04442	7.1
103.05426	2.8
105.07030	39.3
107.04964	11.7
107.08591	20.2
109.02892	7.1
109.06530	7.2
109.10150	14.8
111.04447	5.6
111.08083	4.5
117.07020	18.6
119.08577	25.2
121.06488	3.9
121.10165	11.9
123.08053	6.7
125.09662	14.3
127.03966	5.9
128.06250	4.5
129.07013	10.2
131.08586	21.0
133.06480	4.8
133.10146	18.9
135.08017	6.9
135.11693	10.5
141.06894	3.6
142.07719	3.9
143.08537	12.7
145.10101	14.4
147.08009	5.7
147.11674	11.3
149.02336	5.8
149.13203	4.7
150.02811	3.2
151.11160	3.2
155.08563	9.8
157.10081	15.3
159.11732	13.7
161.09567	2.9
161.13234	5.4
163.11171	5.1
167.08546	3.6
169.10141	13.5
171.11688	12.0
173.04477	10.6
173.13257	5.0
175.11165	3.0
175.14839	5.2
179.08562	3.3
181.10213	6.6
183.11665	9.4
184.07323	5.1
185.09618	2.9
185.13237	6.1
187.11128	3.2
189.09056	2.6
189.11247	7.3
193.04945	4.8
193.10185	3.1
195.11768	5.5
197.13271	3.5
199.11211	3.5
199.14813	3.7
209.13309	4.4
221.13223	3.1
227.12776	9.7
235.14915	4.0
275.20032	12.4
291.19644	6.3
297.22195	7.1
301.75226	3.0
308.62854	2.8
386.09753	3.8
430.12299	4.6
431.29337	4.1
449.30389	8.2
497.90637	2.8
513.35577	6.3
523.33984	14.6
541.35291	100.0
542.35181	3.4
559.36096	5.0
562.38202	6.1
649.35406	4.0
667.38690	4.2
685.38892	8.9
703.38904	55.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01869	4.9
55.05261	2.1
55.05513	36.9
56.89764	2.0
57.03454	10.5
57.07059	2.4
60.08169	4.3
61.02936	3.0
65.03922	2.9
67.05161	4.0
67.05508	61.0
69.03427	7.7
69.07071	17.7
71.05000	2.5
79.05495	30.3
81.03421	37.6
81.07060	60.0
81.76723	2.0
83.04970	3.7
83.08634	25.4
86.09704	16.2
91.05489	24.4
93.07044	31.4
95.04964	13.1
95.08609	40.1
97.06487	3.2
97.10176	43.7
99.08089	1.9
105.07044	18.7
107.04962	2.7
107.08609	28.1
109.06547	2.2
109.10168	11.7
111.04453	1.9
111.08063	4.5
116.94071	1.8
117.06999	5.0
119.08580	12.9
121.10130	11.1
123.11713	2.9
125.00017	11.4
125.09634	39.5
129.06989	3.5
131.08577	9.0
133.10129	8.6
135.08089	4.6
135.11694	9.4
137.13243	2.5
143.10706	2.2
145.10071	4.4
147.11696	6.9
149.09503	2.1
149.13228	5.6
153.09125	2.4
157.10143	3.6
159.11703	4.3
161.13225	3.2
163.14793	3.5
165.12726	1.9
171.10233	2.9
173.13243	4.1
184.07353	53.9
185.13193	1.8
189.11226	34.1
193.12225	7.6
227.12793	52.2
236.16483	2.6
243.21153	3.4
245.13847	68.1
261.22122	12.7
317.24542	2.4
335.25842	47.3
487.34198	5.0
505.35220	24.6
529.38916	100.0
561.41077	3.9
690.43274	2.0
702.46808	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	702.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05043	0.7
58.06596	0.5
60.07873	0.4
60.08165	5.9
67.05494	0.6
69.07070	0.4
71.07376	3.7
72.66972	0.2
74.22444	0.2
75.62807	0.2
79.05484	0.5
81.07036	0.7
86.09708	29.7
89.06023	0.5
91.05484	0.4
95.08603	0.4
97.53550	0.3
98.98475	3.4
104.10751	2.6
107.08561	0.3
125.00006	21.1
131.51120	0.3
133.08598	0.4
143.00989	0.3
184.07344	100.0
185.07816	0.4
488.07867	0.3
496.33990	0.3
702.47211	5.9
703.46930	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.1
54.23386	1.3
55.05512	3.0
56.47390	1.1
57.03442	2.5
57.06818	2.1
57.07079	24.8
60.08157	4.5
61.02927	9.6
67.05514	11.4
69.03419	1.4
69.07057	5.6
69.54648	6.7
69.55060	2.8
71.07359	4.8
71.08276	1.5
71.08638	24.7
73.02908	2.2
79.05486	1.1
81.07060	12.3
83.08612	6.6
85.02908	11.1
85.06561	1.6
85.10180	12.7
86.09203	2.0
86.09709	35.2
91.03963	8.6
93.07012	1.3
95.08610	17.6
97.02892	4.3
97.10167	6.1
98.98447	3.5
99.11761	1.3
104.10736	3.3
105.07037	2.6
109.10168	7.5
111.11712	1.8
113.35941	1.2
121.10140	1.3
123.11691	3.2
125.00010	23.6
127.03934	3.9
137.13287	2.6
145.04973	3.7
159.42004	1.2
163.06015	7.4
184.07349	100.0
215.24208	1.3
267.26877	14.5
317.60461	1.3
341.30530	61.0
359.31604	17.5
443.57971	1.4
700.45667	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	702.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.8
55.01869	4.9
55.05261	2.1
55.05513	36.9
56.89764	2.0
57.03454	10.5
57.07059	2.4
60.08169	4.3
61.02936	3.0
65.03922	2.9
67.05161	4.0
67.05508	61.0
69.03427	7.7
69.07071	17.7
71.05000	2.5
79.05495	30.3
81.03421	37.6
81.07060	60.0
81.76723	2.0
83.04970	3.7
83.08634	25.4
86.09704	16.2
91.05489	24.4
93.07044	31.4
95.04964	13.1
95.08609	40.1
97.06487	3.2
97.10176	43.7
99.08089	1.9
105.07044	18.7
107.04962	2.7
107.08609	28.1
109.06547	2.2
109.10168	11.7
111.04453	1.9
111.08063	4.5
116.94071	1.8
117.06999	5.0
119.08580	12.9
121.10130	11.1
123.11713	2.9
125.00017	11.4
125.09634	39.5
129.06989	3.5
131.08577	9.0
133.10129	8.6
135.08089	4.6
135.11694	9.4
137.13243	2.5
143.10706	2.2
145.10071	4.4
147.11696	6.9
149.09503	2.1
149.13228	5.6
153.09125	2.4
157.10143	3.6
159.11703	4.3
161.13225	3.2
163.14793	3.5
165.12726	1.9
171.10233	2.9
173.13243	4.1
184.07353	53.9
185.13193	1.8
189.11226	34.1
193.12225	7.6
227.12793	52.2
236.16483	2.6
243.21153	3.4
245.13847	68.1
261.22122	12.7
317.24542	2.4
335.25842	47.3
487.34198	5.0
505.35220	24.6
529.38916	100.0
561.41077	3.9
690.43274	2.0
702.46808	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	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.01870	0.8
55.05504	1.2
57.03434	1.2
59.05007	0.5
59.90196	0.4
61.02935	3.0
67.05505	4.2
69.03435	3.1
69.07077	1.0
69.25883	3.7
71.04996	1.8
73.02921	3.1
79.05508	3.0
81.03429	3.4
81.07069	3.0
83.04981	0.9
83.08643	0.7
85.02917	4.5
85.06602	0.5
87.04472	0.9
91.03966	2.0
91.05489	2.7
93.07046	3.2
95.04984	1.5
95.08621	1.8
97.02913	3.7
97.06544	1.6
97.10194	0.6
99.04471	0.9
101.02408	1.6
105.07051	1.4
107.04963	0.6
107.08603	3.3
109.02896	1.2
109.06529	0.7
109.10154	0.8
111.04453	0.4
119.08591	1.8
121.10172	1.7
123.08060	0.5
127.03944	1.5
129.07040	0.7
131.08583	1.1
133.10173	1.3
133.97543	0.5
135.04477	0.5
135.11673	3.3
137.09685	0.5
145.10144	0.5
147.04401	0.5
147.11696	1.1
149.09642	1.4
151.11272	0.4
157.10204	1.0
163.11217	0.5
175.11246	0.7
181.12300	0.6
185.04199	0.5
193.12288	0.7
221.11575	0.6
223.24339	0.4
226.06763	0.5
238.05051	0.4
243.08372	2.1
267.16138	0.5
276.97922	0.5
277.14456	0.5
283.15253	2.6
287.05499	0.8
339.17722	0.7
439.19308	8.5
453.20734	0.7
469.20700	1.2
471.22147	0.6
501.23215	6.2
659.55762	0.5
681.34137	0.9
699.35620	100.0
700.35785	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	700.4483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02404	1.1
54.23386	1.3
55.05512	3.0
56.47390	1.1
57.03442	2.5
57.06818	2.1
57.07079	24.8
60.08157	4.5
61.02927	9.6
67.05514	11.4
69.03419	1.4
69.07057	5.6
69.54648	6.7
69.55060	2.8
71.07359	4.8
71.08276	1.5
71.08638	24.7
73.02908	2.2
79.05486	1.1
81.07060	12.3
83.08612	6.6
85.02908	11.1
85.06561	1.6
85.10180	12.7
86.09203	2.0
86.09709	35.2
91.03963	8.6
93.07012	1.3
95.08610	17.6
97.02892	4.3
97.10167	6.1
98.98447	3.5
99.11761	1.3
104.10736	3.3
105.07037	2.6
109.10168	7.5
111.11712	1.8
113.35941	1.2
121.10140	1.3
123.11691	3.2
125.00010	23.6
127.03934	3.9
137.13287	2.6
145.04973	3.7
159.42004	1.2
163.06015	7.4
184.07349	100.0
215.24208	1.3
267.26877	14.5
317.60461	1.3
341.30530	61.0
359.31604	17.5
443.57971	1.4
700.45667	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	699.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	0.3
70.31114	0.9
79.05502	0.3
86.42908	0.2
87.04437	0.3
91.05511	0.3
93.07055	0.3
95.08572	0.4
98.20747	0.4
133.03473	0.3
161.03055	0.3
185.04253	0.7
195.24316	0.3
259.07971	0.3
301.20157	0.8
306.41370	0.3
319.37244	0.3
347.09390	1.1
359.25867	0.3
375.25104	0.4
537.30353	17.2
538.30798	0.7
699.35602	100.0
700.35895	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	697.3767
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
54.07856	0.7
55.01891	0.7
55.05507	1.5
57.03439	2.5
61.02925	5.4
67.05515	6.6
69.03429	3.0
69.07072	0.9
71.04996	3.4
71.31528	1.2
73.02923	3.9
75.63122	0.6
79.05484	3.2
81.03423	2.2
81.07061	8.8
83.08621	2.2
85.02902	5.3
91.03941	4.9
91.05489	3.2
93.07047	5.1
95.04978	0.7
95.08617	2.3
97.02892	5.3
97.06534	1.3
99.04465	0.9
101.02392	3.0
103.03987	1.0
105.07043	1.6
107.08595	4.0
109.06561	1.1
109.10165	2.4
111.08110	1.0
117.07031	1.1
119.08584	1.2
121.10136	1.3
123.11691	0.9
127.03936	2.2
131.08598	1.3
133.10133	2.3
135.11734	1.2
149.13298	2.0
151.11211	1.0
159.11723	1.4
185.04256	1.7
195.13800	0.8
223.33742	0.6
235.13182	0.6
243.08478	2.7
257.17465	0.7
267.15851	1.3
269.17596	1.0
300.16489	0.7
301.09067	1.6
371.16882	1.8
373.11169	0.9
385.18576	0.8
413.17877	3.8
425.21536	1.2
439.19461	0.9
453.21045	10.7
485.24139	6.2
541.26105	1.3
560.16064	0.7
567.31561	6.0
596.32172	1.8
625.31891	22.0
626.32178	1.1
628.30859	1.1
651.33533	5.4
697.37671	100.0
698.38226	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	698.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32458	0.8
53.03970	0.8
55.05502	0.9
57.03434	1.2
57.17110	0.9
58.17283	0.7
60.04503	0.9
60.42589	0.7
61.02935	1.1
67.05503	2.0
69.03435	3.0
69.07071	1.5
70.88961	1.3
70.89288	1.8
71.04996	17.8
71.34361	0.7
75.58129	0.7
79.05496	1.3
81.03424	3.6
81.07053	2.4
83.04957	0.8
83.08627	1.1
85.02895	3.2
85.06561	0.9
86.09708	1.8
91.03973	1.0
91.05495	3.2
95.04977	1.7
95.08650	1.1
97.02909	2.6
99.04510	1.2
103.05492	3.0
105.07027	3.7
107.04965	1.7
107.08574	1.0
109.02888	2.2
109.10138	1.3
111.04413	1.6
115.05486	1.4
117.03386	2.5
119.04932	2.6
119.08597	1.3
121.06548	1.2
121.10177	1.2
122.03630	1.2
124.11205	2.0
127.03947	4.2
127.11196	100.0
128.06131	0.9
131.04967	3.9
131.08545	1.1
133.06493	2.5
133.10071	0.8
135.08070	0.9
137.05980	40.8
140.10706	1.2
141.06950	1.1
145.02855	6.9
145.06503	1.0
145.12248	8.2
146.47211	0.9
147.04358	4.0
149.05995	3.9
151.03966	1.4
151.07549	2.6
153.01826	1.3
160.05173	1.1
161.05977	19.9
161.09631	1.1
162.06752	1.3
163.07506	4.8
165.09148	0.9
167.06999	1.1
169.06544	1.9
173.06026	1.1
175.07561	5.7
177.05464	12.2
177.09065	1.4
179.07040	26.9
181.06483	1.4
184.07465	1.1
184.12871	0.9
187.07564	2.6
189.05493	1.1
191.07039	7.2
197.06030	2.7
201.09058	1.1
203.07048	29.9
203.08966	1.4
215.07042	3.4
217.08606	1.8
221.06012	1.6
221.07982	2.0
225.09244	1.1
229.08516	4.2
233.08113	2.4
239.09096	1.3
247.09782	1.0
253.08617	1.4
257.08102	8.0
259.09659	0.8
265.08545	2.0
267.10141	1.6
275.09180	3.4
279.10080	0.9
281.10159	1.2
283.09677	2.6
285.11014	2.7
287.05820	0.9
287.08981	2.0
293.10107	1.0
295.09653	1.9
297.11096	4.3
305.10489	1.1
307.09775	1.4
309.11349	1.4
323.11374	1.7
324.11453	1.0
327.12231	5.9
329.10312	1.1
337.10791	1.1
339.12140	1.0
365.11945	1.5
435.14380	2.1
446.18381	1.1
453.15323	3.8
465.15240	1.8
471.16458	3.1
489.17325	1.9
501.17557	1.0
536.25549	2.2
537.26300	1.1
568.32043	0.9
673.47546	0.9
698.32269	5.8
699.32104	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3769
Annotation	Hexamollamide
Peak:m/z	Relative Intensity
53.03942	0.6
55.01879	0.5
55.05510	0.9
57.03436	1.2
61.02926	4.3
67.05512	4.8
69.03429	2.5
69.07072	1.0
69.24942	3.4
71.04993	2.7
73.02924	2.5
79.05500	2.6
81.03428	1.5
81.07059	6.0
83.08618	0.8
85.02907	3.4
85.06535	0.4
91.03963	2.6
91.05482	3.1
93.07048	4.5
95.04952	0.4
95.08623	1.2
97.02885	3.4
97.06556	0.8
99.04494	0.5
101.02383	1.4
105.07054	1.1
107.08566	1.8
109.02863	0.9
109.10142	0.7
111.08099	0.4
117.07040	0.5
121.10164	1.3
123.11739	1.2
127.03943	1.3
131.08617	0.9
133.10133	2.2
135.11749	0.6
145.04990	0.4
149.13289	1.4
151.11215	1.0
159.11757	1.2
185.04245	0.5
187.13330	0.7
191.47141	0.4
193.15424	0.3
195.13823	0.5
203.05270	0.5
235.13100	0.9
243.08482	2.0
254.52220	0.4
257.17566	0.6
267.15811	1.3
269.17630	0.4
291.15753	0.4
386.37149	0.4
413.17911	0.5
453.21014	7.1
484.22226	0.3
485.23740	6.5
625.31812	2.2
697.37689	100.0
698.37939	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84544	0.7
53.47427	0.7
55.01856	1.1
55.05517	1.8
57.03425	2.5
61.02675	0.7
61.02933	6.9
67.05508	11.0
69.03426	3.9
69.07077	1.1
70.19321	1.6
70.19711	1.4
71.04984	1.4
73.02921	5.5
73.37621	0.8
75.60607	0.7
75.91563	0.7
79.05477	2.8
81.03406	2.8
81.07065	6.7
81.88361	1.0
83.08633	1.8
85.02911	7.1
91.03957	4.9
91.05473	2.1
93.07022	2.8
95.08588	2.1
97.02901	6.9
97.06530	1.0
99.04433	2.0
101.02370	2.2
105.07023	1.5
107.08576	1.6
109.10159	8.8
111.08067	0.8
117.97663	0.7
119.08580	1.0
123.11694	0.9
127.03938	2.4
129.05508	1.1
131.08514	0.8
145.05032	1.0
149.13301	0.8
154.46335	0.8
155.10735	1.0
155.23044	0.8
159.11717	0.8
173.11723	2.2
181.04747	0.8
185.04199	3.0
195.09947	1.4
195.13765	1.2
201.03772	1.5
203.05258	1.1
229.14375	2.5
235.13054	2.0
243.08438	4.0
265.14304	0.8
301.08847	5.5
315.10489	3.2
329.12018	1.4
358.66748	1.0
369.15207	1.6
371.16794	4.2
373.10934	2.9
385.18320	2.2
392.10016	1.1
413.17899	19.5
425.21289	3.3
429.16901	0.9
443.18884	1.3
453.21161	4.9
457.20242	1.0
463.26474	1.3
484.22803	1.6
485.20004	6.8
499.21304	2.2
516.21893	1.2
527.24615	1.0
541.26251	3.7
542.41888	1.0
553.29376	2.0
566.37634	1.0
567.31415	22.5
568.31763	1.1
582.04126	0.8
588.02246	0.9
596.31750	8.1
597.32318	1.7
600.31268	1.3
625.31970	100.0
626.32318	4.2
628.30853	5.1
651.33484	8.3
653.34625	1.8
697.34064	36.7
698.34448	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3766
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05513	0.6
56.96564	0.3
57.03431	1.8
61.02936	4.4
67.05511	4.9
69.03433	2.8
69.07077	1.7
69.24691	0.4
69.25080	3.5
71.01358	0.5
71.04993	3.4
73.02919	3.3
79.05489	3.4
81.03437	1.7
81.07061	7.7
83.08640	1.0
85.02907	4.5
85.06533	0.6
87.42506	0.3
91.03951	3.1
91.05489	2.5
93.07049	3.3
95.04976	0.7
95.08633	1.4
97.02898	4.2
97.06509	0.6
99.04481	1.0
101.02370	1.8
103.03941	0.4
105.07035	1.1
107.08582	2.0
109.02904	1.0
109.06538	0.5
109.10158	1.0
111.00436	0.3
117.07025	0.8
119.08578	0.4
121.10200	1.0
123.11702	1.0
127.03926	1.8
131.08542	0.8
133.10139	3.1
135.11723	1.0
135.41084	0.3
139.78590	0.3
145.05005	0.4
149.13298	1.4
151.11217	0.9
159.11703	1.2
185.04256	0.6
187.13268	0.4
195.13860	1.3
235.13103	0.9
243.08322	2.2
257.17456	0.8
264.85840	0.4
267.15781	1.0
269.17575	0.5
413.17783	1.2
453.20963	7.8
461.28534	0.5
485.23758	7.2
529.63824	0.4
535.32874	0.5
539.08649	0.3
567.31537	1.2
596.31921	0.5
625.32019	4.4
697.37695	100.0
698.38049	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.05505	1.1
57.03440	1.5
58.11819	0.3
61.02936	3.8
67.05516	2.2
69.03430	2.5
69.07064	0.5
70.80984	0.8
71.01335	0.4
71.04997	0.5
71.98340	0.3
73.02926	3.2
78.60513	0.3
79.05507	2.3
81.03420	4.6
81.07051	2.3
81.25632	0.3
83.04979	1.0
83.08629	1.1
83.15878	0.3
85.02911	6.9
87.04446	0.3
89.66948	0.3
91.03962	2.4
91.05490	3.4
93.07046	1.7
95.04961	2.1
95.08624	0.9
97.02902	3.5
97.06567	0.5
99.04491	0.6
101.02385	1.4
103.03964	0.4
103.05516	0.3
105.07034	2.6
107.04965	0.7
107.08591	0.5
109.02921	0.7
109.06541	0.7
109.10180	0.3
111.08086	0.6
115.04005	0.3
119.08599	1.9
121.10174	0.8
123.08053	0.6
127.03909	1.2
129.06981	1.0
131.08600	1.2
133.06572	0.3
133.10100	1.6
135.08197	0.3
145.05026	0.3
147.11739	1.2
149.09673	0.8
157.10141	1.5
175.11244	1.3
177.05499	0.4
184.07314	0.3
185.04285	0.6
193.12260	1.9
211.13257	0.7
227.22240	0.3
243.08459	1.7
251.12640	1.2
285.16983	0.5
287.05542	0.5
307.15240	0.6
342.09091	0.3
395.18805	0.3
469.20508	13.1
535.28778	0.5
697.34058	100.0
698.34418	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	697.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63773	0.8
55.05514	0.8
69.03427	5.6
71.61858	1.2
81.03413	2.3
81.07047	0.9
85.02924	1.5
86.99110	1.0
91.05463	1.9
93.07064	1.1
95.04967	1.0
95.08625	1.3
105.07036	1.2
108.45204	0.7
109.02876	2.6
109.06500	0.8
109.10140	1.1
113.76640	0.8
119.08597	1.8
127.03896	3.8
131.08629	1.1
133.10117	1.3
137.05952	2.1
138.21609	0.8
139.11145	1.9
145.03175	0.9
147.11626	1.0
149.09666	1.2
161.09634	0.9
167.07024	1.3
167.64325	0.9
188.06810	2.7
189.12656	1.2
207.13809	1.0
218.07889	7.9
239.10966	1.1
275.90851	0.8
289.09470	1.1
309.11984	1.7
317.09058	4.1
325.10410	1.3
327.12045	2.6
329.14612	1.3
330.09827	1.9
331.10413	4.5
333.11966	1.1
337.11377	1.9
339.13425	8.6
341.14780	2.9
345.12323	2.6
347.10178	1.2
349.11566	1.8
361.07782	2.0
361.11618	2.9
367.12872	4.0
374.09171	1.5
375.09494	3.8
376.10181	2.3
377.11035	1.8
379.12201	1.9
389.11102	4.3
424.15820	1.0
425.16815	1.0
428.15393	1.4
438.12921	1.9
440.14932	1.5
440.19858	1.7
442.17050	1.8
452.15134	1.2
455.18246	5.5
458.20068	1.1
460.18173	1.2
466.17206	3.0
468.14914	2.7
470.20825	1.7
482.15894	1.5
483.17719	4.8
484.18332	8.2
487.17099	4.8
491.25793	1.6
498.20313	10.5
499.16959	2.9
500.17853	3.4
502.19476	6.0
514.19421	7.7
516.21283	0.9
528.17224	14.9
535.24988	6.2
542.18964	100.0
543.19617	15.1
544.20361	2.5
546.17017	0.9
560.19348	4.6
574.21613	63.1
575.22284	9.4
589.24664	1.2
621.26941	1.0
633.22089	13.7
651.23181	1.5
665.25739	47.6
666.25214	2.5
697.28003	28.3
727.09216	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.2
55.05520	13.2
57.03434	6.9
57.07068	8.3
61.02665	2.1
61.02934	19.8
61.44149	2.2
65.03917	3.2
67.05506	64.8
69.03423	2.3
69.06751	2.6
69.07076	24.6
69.99683	4.9
70.00079	3.3
70.51231	2.2
71.08616	5.9
73.02905	8.2
79.05495	18.7
81.03397	2.5
81.06573	4.1
81.07059	82.4
83.08624	20.5
85.02907	29.0
85.06514	2.8
85.10169	3.8
91.03961	22.8
91.05476	13.9
93.07052	21.0
95.04989	3.1
95.08609	71.2
97.02897	16.4
97.06507	6.1
97.10172	14.1
99.04450	2.0
99.08110	5.6
105.07044	12.1
107.08587	22.1
109.02845	1.9
109.10152	37.9
111.08091	2.8
111.11690	3.2
113.09641	2.6
114.64368	1.8
115.03928	3.1
117.07038	1.9
119.08568	14.3
121.10143	21.4
123.11703	20.5
125.09637	4.3
127.03902	10.4
127.11241	2.1
131.08600	2.3
133.10124	18.0
135.11681	10.3
137.09590	2.7
137.13242	8.7
139.11208	2.6
141.12733	3.8
145.04945	10.6
147.11673	11.1
149.13284	10.6
151.11177	2.9
151.14839	5.5
155.14355	4.5
161.13220	10.5
163.06023	16.4
163.14830	12.0
165.16356	9.8
175.14810	11.3
177.16391	2.6
179.17952	7.6
188.09363	2.0
189.16458	4.3
207.17627	2.4
217.19342	2.9
245.22656	75.1
254.37523	2.0
263.23694	100.0
264.23938	2.9
265.25369	2.5
281.24863	3.0
337.27383	72.9
355.28232	15.1
405.27246	2.0
499.32544	7.1
696.36444	15.2
697.36334	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	695.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.6
55.01871	0.5
55.05503	1.6
56.96564	0.5
57.03434	2.3
59.04986	0.3
60.08166	0.7
61.02635	0.3
61.02927	4.7
65.03940	0.4
65.70139	0.2
67.05505	4.0
68.05840	0.4
69.03430	3.1
69.07074	1.1
70.07411	0.3
71.01347	0.6
71.04993	1.0
71.07360	0.5
71.61170	0.3
73.02915	3.1
79.05491	3.9
80.05819	0.3
81.03416	6.1
81.07054	4.0
82.03751	0.4
82.07394	0.5
83.01348	0.4
83.04978	1.8
83.08615	2.2
85.02905	6.1
86.09700	3.7
87.04471	0.3
87.10041	0.7
91.03950	2.3
91.05479	3.3
92.05803	0.3
93.07040	3.8
95.04968	2.0
95.08594	1.5
97.02883	4.7
97.06535	0.9
98.98504	0.3
99.04465	0.8
101.02374	1.9
103.03949	0.4
105.07025	2.6
106.07375	0.4
107.04957	1.1
107.08601	1.9
108.08958	0.3
109.02873	1.1
109.06525	0.8
109.10161	1.0
111.08058	0.7
115.03980	0.3
117.07040	0.9
119.08604	2.3
121.06489	0.3
121.10146	1.5
123.08082	0.9
123.11703	0.2
124.99982	2.9
125.09607	0.4
127.03907	1.5
129.05539	0.2
129.07013	0.7
131.08543	1.2
133.06587	0.3
133.10121	1.5
135.08081	0.5
135.10796	0.3
135.11667	1.2
137.05981	0.4
137.09642	0.8
145.10141	1.4
147.07967	0.3
147.11697	0.9
149.09656	0.5
153.01811	0.3
157.10155	0.8
159.11659	0.3
163.11180	2.4
173.09544	0.3
175.11243	0.7
184.07338	12.0
185.04247	0.5
185.07672	1.9
193.12228	1.1
194.12575	0.3
203.05360	0.3
209.11783	0.3
211.13326	0.9
212.13629	0.5
243.08414	1.9
249.10957	0.5
251.12587	0.7
267.15976	1.3
268.16315	0.9
269.17514	1.2
270.17816	0.9
283.15491	0.5
285.16968	0.5
287.05478	1.5
307.15155	0.3
422.26144	0.3
439.27020	0.3
440.27307	0.8
448.27905	0.4
461.29022	0.5
462.29324	2.7
466.28766	0.6
467.18896	7.8
469.20425	5.2
490.93506	0.3
498.31369	0.5
533.27185	0.5
539.93909	0.3
601.03778	0.3
602.34003	0.3
695.32288	100.0
696.32654	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	695.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	1.3
67.05501	2.3
70.89034	1.5
70.89386	2.2
79.05473	1.2
81.03432	1.4
81.07056	2.0
85.02901	1.7
91.05489	2.0
93.07053	1.6
96.51350	1.3
105.07027	1.9
107.08588	1.2
109.10194	1.3
119.08592	1.2
141.70871	1.1
209.27478	1.1
269.10574	2.4
319.42645	1.4
677.28809	1.2
695.30243	100.0
696.30756	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	695.3252
Annotation	Adociasulfate 2
Peak:m/z	Relative Intensity
53.03935	0.8
55.01867	1.0
55.05516	1.3
57.03432	2.2
60.08178	0.4
61.02638	0.3
61.02929	5.0
61.22609	0.2
65.03965	0.3
67.05512	3.1
69.03435	2.5
69.07082	0.6
71.01355	0.5
71.04989	0.7
71.07359	0.4
73.02922	2.9
79.05494	3.0
81.03420	5.5
81.07063	3.2
83.01343	0.5
83.04979	1.6
83.08621	1.5
85.02905	5.9
86.09712	2.3
91.03957	2.6
91.05490	3.9
93.07050	3.2
95.04977	2.0
95.08601	1.6
96.05294	0.3
97.02899	4.1
97.06535	0.4
97.10108	0.3
98.98466	0.4
99.04443	0.8
101.02383	1.3
103.03954	0.5
105.07026	2.1
107.04980	0.7
107.08603	1.5
109.02888	1.1
109.06528	0.7
109.10148	0.7
111.04459	0.3
111.08094	0.5
115.03891	0.3
117.07042	0.6
119.08571	2.2
121.06506	0.5
121.10154	1.2
123.08059	0.6
125.00024	1.6
127.03919	1.4
129.07030	0.9
131.08562	1.1
133.10167	1.6
135.08070	0.4
135.11700	1.0
135.73502	0.3
137.30569	0.3
145.04999	0.4
145.10188	1.3
147.11707	0.7
149.09627	0.5
155.08549	0.4
157.10168	0.8
163.11182	1.9
168.08197	0.3
173.09689	0.3
175.11218	0.9
184.07343	6.5
185.04231	0.8
185.07689	1.1
193.12177	1.4
209.11812	0.4
211.13374	0.6
213.34285	0.3
243.08469	1.8
249.11075	0.3
251.12479	0.4
267.15985	1.1
268.16321	0.5
269.17651	0.9
270.17886	0.9
277.43988	0.3
280.37958	0.3
283.15457	0.7
285.16928	0.3
287.05496	0.9
341.24042	0.3
440.27130	0.4
461.28900	0.5
462.29309	2.0
467.18915	7.7
469.20374	5.1
480.30469	0.5
530.13727	0.3
533.27509	0.5
695.32410	100.0
696.32782	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	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.1
53.33981	0.9
55.05510	8.1
57.03440	5.4
57.07079	3.9
61.02641	1.6
61.02928	24.9
62.17079	0.9
65.03932	1.5
67.05507	57.5
67.33911	0.8
69.03446	4.1
69.07069	8.7
70.33203	1.4
70.33573	1.8
70.41574	0.8
71.04996	1.9
71.08639	1.4
73.02602	0.8
73.02925	8.4
75.04485	1.5
78.64523	0.9
79.05491	35.5
81.03411	2.6
81.07059	67.0
83.04990	1.3
83.08615	6.4
85.02910	30.2
85.06549	1.9
91.03960	26.7
91.05480	20.6
93.07046	47.3
95.04969	2.1
95.08611	53.1
97.02898	16.9
97.06516	3.4
97.10156	3.0
99.04427	1.5
99.08098	1.7
103.03883	1.1
105.07038	14.6
107.08598	33.7
109.02828	0.8
109.06483	1.5
109.10162	30.1
111.08061	2.6
113.09612	1.1
115.03938	1.9
117.07040	8.8
119.07772	1.2
119.08585	13.9
121.10146	30.1
123.08035	1.2
123.11707	16.4
125.09669	1.7
127.03928	8.9
131.08575	18.9
133.10133	13.1
135.11702	24.7
137.09618	1.5
137.13260	5.7
139.11160	1.1
145.04961	12.8
145.10118	12.8
147.10612	1.2
147.11688	11.2
149.13260	19.1
151.11197	1.1
151.14822	2.3
153.12752	1.4
159.11688	12.2
159.57475	0.8
161.13269	11.6
163.06018	19.3
163.11198	0.9
163.14841	16.0
163.16071	0.5
165.12746	2.1
173.13263	14.3
175.14818	4.4
177.12753	1.5
177.16409	6.5
179.14319	1.6
187.14848	8.0
191.14287	1.3
201.16411	3.3
205.15831	2.0
215.17989	1.3
233.22652	2.7
243.21094	30.8
261.22147	100.0
262.22449	2.7
262.88284	0.9
263.23639	2.1
279.23181	1.8
287.71188	0.9
335.25769	16.2
353.26877	51.1
354.27115	2.4
619.30414	0.9
694.32330	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61198	0.8
53.03936	1.8
55.01854	2.3
55.05513	10.7
56.05009	0.9
57.03440	8.5
59.04986	1.9
60.08169	5.9
60.46089	0.8
61.02912	3.0
65.03924	2.2
67.05508	51.1
67.36501	0.8
69.03428	2.8
69.07066	6.0
69.48286	4.8
69.48697	1.3
71.04648	0.8
71.05001	14.9
71.07367	3.1
79.05498	20.0
81.03421	31.7
81.07059	26.4
83.04987	8.9
83.08627	11.6
85.02914	10.6
85.06535	2.4
86.09706	34.3
91.03923	1.1
91.05484	25.2
93.07047	21.3
95.04975	13.1
95.08603	11.9
97.02889	2.9
97.06551	5.2
97.10163	1.9
98.98448	2.7
99.08088	2.2
103.05508	1.1
104.10729	1.8
105.07040	12.5
107.04954	4.7
107.08592	12.3
109.06519	3.5
109.10159	33.0
111.04459	0.9
111.08070	6.1
113.05976	1.2
114.94692	0.8
117.07019	3.5
119.08582	15.8
121.06548	1.6
121.10149	8.3
123.08037	1.5
123.11716	1.8
124.11219	0.9
125.00009	20.6
125.09602	1.3
129.07001	6.2
131.08583	7.2
133.06490	1.5
133.10130	9.6
135.08035	1.6
135.11710	10.1
137.09610	8.5
142.07819	1.7
145.10127	3.3
147.08073	1.8
147.11713	6.8
149.09608	4.6
149.13264	1.4
151.11143	1.4
155.10667	1.9
157.10100	7.8
159.11736	0.9
160.16402	0.9
163.11171	3.5
165.12766	1.8
173.11703	4.1
175.11162	7.7
181.12247	2.3
184.07352	100.0
185.07739	1.0
187.13231	1.1
193.12250	17.2
195.13768	1.7
211.13309	17.3
213.12813	0.8
229.14230	1.9
243.15967	1.2
249.15044	1.1
255.15979	6.4
267.15924	18.7
269.17487	8.2
285.16959	11.1
287.18515	14.0
403.24713	1.5
421.20111	1.1
421.25900	18.6
436.70331	0.9
439.26913	42.5
443.27905	1.9
447.27441	21.8
453.28558	7.9
461.29025	18.1
465.28470	31.5
466.29364	1.0
479.30106	8.7
497.31027	24.7
511.16467	0.9
519.40240	1.0
609.33209	0.9
644.35724	9.0
694.30609	1.2
695.31665	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	694.3969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
55.01859	0.7
55.05516	2.5
56.05019	0.6
57.03440	2.3
58.06608	0.5
60.05561	0.3
60.08163	5.8
61.02921	1.1
67.05173	0.6
67.05505	9.5
69.03424	1.3
69.07066	1.7
71.01330	0.4
71.04996	1.7
71.07373	3.2
71.61667	0.4
71.62128	0.6
79.05111	0.4
79.05493	5.3
81.03419	6.1
81.07056	7.9
82.07345	0.6
83.04977	2.0
83.08626	3.3
84.50156	0.3
85.02899	2.3
85.06508	0.5
86.09705	30.6
91.03967	0.6
91.05484	4.6
93.07039	5.8
95.04977	3.1
95.08621	3.9
97.02887	0.8
97.06543	1.9
97.10146	0.6
98.98455	3.2
99.04482	0.5
101.42843	0.4
104.10762	1.9
105.07027	3.1
107.04982	0.9
107.08595	3.4
109.06516	0.7
109.10136	4.3
111.08063	1.0
117.06987	1.2
119.08581	3.1
120.08968	0.4
121.06530	0.6
121.10153	1.9
123.08070	0.4
123.11726	0.6
125.00002	21.0
129.06996	1.4
131.08575	1.8
133.10135	2.1
135.08073	0.5
135.11687	1.9
137.09589	1.1
145.06439	0.4
145.10173	0.8
146.61896	0.4
146.74936	0.4
147.08118	0.5
147.11623	1.8
149.09604	1.0
149.13292	0.8
151.11203	0.6
155.08517	0.6
157.10034	1.8
159.11667	0.8
163.11156	0.4
165.12698	0.4
175.11206	1.0
177.12778	0.5
181.12289	0.4
184.07339	100.0
185.07738	0.6
189.12852	0.4
193.12216	2.8
195.13823	0.5
211.13251	2.1
255.15889	2.0
267.15878	6.2
269.17471	3.0
285.16989	2.2
287.18466	1.0
305.49509	0.4
321.12189	0.5
349.62363	0.4
379.12537	1.3
380.13464	1.8
421.25769	0.8
439.27029	3.6
443.28009	0.7
447.27466	4.1
453.28104	0.8
461.29007	5.0
465.28549	3.3
479.30090	4.9
493.02722	0.5
496.30069	0.5
497.30923	3.6
644.25354	0.6
644.35596	9.7
694.31158	1.4
695.32172	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
53.51614	0.9
53.95742	0.8
55.01875	2.1
55.05294	1.0
55.05521	14.4
57.03444	6.1
57.03686	0.8
57.07080	1.9
59.04974	0.9
61.02922	4.1
65.03941	3.0
65.91093	0.9
67.05508	69.8
69.03420	2.5
69.07069	13.0
69.55065	3.9
69.55492	2.1
71.04635	1.4
71.04999	20.9
73.02911	0.9
79.05496	29.1
81.03420	4.3
81.07061	98.1
82.07385	0.9
83.04978	5.4
83.08624	14.8
85.02928	4.3
85.06544	8.6
87.04484	1.2
91.03966	1.8
91.05486	27.2
93.06463	2.0
93.07050	38.4
95.04958	4.6
95.08035	1.2
95.08613	16.6
97.02898	3.1
97.06527	8.3
97.10174	3.3
99.04430	1.1
99.08081	1.7
105.07042	10.8
107.04927	1.1
107.08602	28.4
109.06538	1.8
109.10164	13.6
111.08074	4.5
117.07018	5.9
119.08575	2.6
121.06524	2.4
121.10144	10.8
123.08131	1.5
123.11710	14.3
125.09607	2.0
127.03928	1.3
129.82195	1.1
131.08560	8.3
133.10139	24.7
135.08043	2.0
135.11697	8.0
137.09601	1.3
142.60956	0.9
145.10072	1.1
147.11678	1.1
149.09561	0.9
149.13260	16.5
151.11200	8.2
159.11713	8.4
160.90190	0.9
165.12814	1.0
169.12296	1.1
173.11752	1.5
177.12770	4.4
183.13824	2.9
187.13339	3.9
195.13809	12.8
199.13347	1.4
213.14717	1.2
225.14897	1.2
229.14404	6.2
251.16685	1.2
257.17508	2.2
267.15775	1.2
269.17484	29.5
273.30002	0.9
297.16882	1.2
301.16794	1.5
301.20090	18.3
340.57059	0.9
423.27399	4.4
437.29019	71.4
438.29471	1.3
451.30740	10.3
463.30582	26.4
464.30743	2.0
475.59207	1.0
495.33273	100.0
496.33640	3.0
513.30054	1.3
535.76721	0.9
607.34399	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	692.3857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01886	6.2
55.05509	19.5
57.03438	18.4
61.02931	4.3
62.91963	2.9
66.33017	2.6
67.05505	34.5
68.74409	2.7
69.03422	13.4
69.07071	7.9
71.04976	8.8
71.05499	4.5
71.05826	4.6
73.02921	3.4
76.64594	2.8
79.05495	33.1
81.02967	5.9
81.03419	100.0
81.07066	38.8
83.04979	22.2
83.08626	29.6
85.02908	39.9
85.06564	4.1
86.09704	5.1
89.32291	2.6
91.03925	4.9
91.05486	50.9
93.07048	31.7
95.04971	38.8
95.08606	15.6
96.61831	3.1
97.02897	8.5
97.06529	6.4
97.10143	4.9
99.04477	3.1
99.08118	3.5
105.07027	34.2
107.04948	9.9
107.08605	13.1
109.02866	3.1
109.06504	8.8
109.10144	11.4
111.04455	4.7
111.08078	15.1
113.06023	5.0
117.07011	3.8
119.08576	30.0
121.06525	4.2
121.10172	15.0
123.04488	3.6
123.08089	4.4
123.11825	3.0
125.05982	3.6
125.09634	3.9
127.03925	7.1
129.07010	14.7
131.04927	3.6
131.08582	20.3
133.06503	6.0
133.10138	21.8
136.07512	3.1
137.05943	3.7
137.09631	5.8
142.07799	3.1
145.06441	5.6
145.10107	6.4
147.04427	6.1
147.08047	4.1
147.11693	20.8
149.09619	6.3
151.11104	2.8
157.10121	24.4
163.10966	2.8
165.12712	3.8
167.16231	2.8
175.11226	21.9
184.07378	12.3
193.12262	70.8
193.14014	4.3
211.13300	95.4
232.34917	2.9
267.09033	6.4
267.15939	51.0
285.10068	5.8
285.16959	90.5
305.11288	4.2
367.22644	3.5
385.23608	10.8
433.25970	3.7
459.27545	31.2
477.28510	48.0
495.29550	83.3
693.21222	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	692.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26469	0.8
53.03948	2.4
54.62906	1.0
55.01865	1.2
55.05517	12.2
57.03440	5.7
57.07077	2.6
59.04998	1.0
61.02930	3.8
65.03944	0.9
67.05507	59.1
69.03420	2.0
69.07076	14.3
69.61504	1.3
69.61906	5.1
71.04998	17.2
73.02924	1.6
79.05045	1.6
79.05497	23.5
81.03407	3.4
81.07058	87.9
83.04994	4.9
83.08624	13.1
85.02885	2.2
85.06541	6.7
91.03966	1.8
91.05479	19.5
93.07047	37.8
95.04961	3.9
95.08612	15.8
97.02888	2.7
97.06538	7.6
97.10165	1.8
98.21485	1.7
99.08072	2.1
105.07025	8.2
107.08593	25.4
109.06515	3.0
109.10158	9.4
111.08076	4.7
117.07006	5.9
119.08587	2.4
121.06515	0.9
121.10139	12.8
123.11712	10.4
125.09644	1.8
131.08548	6.1
133.10129	13.6
135.11696	6.9
139.11172	2.0
147.11765	1.1
149.12148	1.7
149.13264	21.0
151.11165	5.4
153.12924	1.0
155.10628	1.2
159.11708	9.7
168.72005	0.9
169.12201	1.3
173.11728	1.0
177.12703	4.4
183.13817	2.2
187.13278	2.9
195.13789	7.0
213.14909	1.1
225.14880	1.2
229.14368	5.4
234.62051	0.8
257.17505	1.3
269.17465	23.5
278.70947	1.2
297.16852	1.0
298.63913	1.0
301.16626	1.8
301.19986	7.8
423.27448	3.9
435.95010	1.0
437.29025	45.8
451.30603	8.4
463.30573	100.0
464.30707	2.4
495.33368	36.1
496.33139	1.3
513.30774	1.1
639.37750	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.1
55.01870	6.4
55.05513	32.3
55.16179	1.0
57.03182	0.9
57.03431	19.4
57.07066	2.0
59.04983	3.8
59.05247	0.9
61.02926	6.9
65.03945	3.7
67.05505	100.0
68.95766	0.9
69.03426	4.9
69.07067	17.1
69.52362	6.5
71.01347	1.9
71.05002	6.2
73.02911	5.5
73.84346	1.0
79.05492	37.2
81.03029	1.2
81.03427	12.7
81.07057	69.4
83.01337	1.2
83.04987	11.3
83.08622	21.8
85.02908	15.1
85.06539	5.6
87.04471	5.1
91.03944	3.0
91.04948	1.8
91.05483	27.0
93.06455	2.1
93.07047	41.9
95.04972	8.4
95.08611	20.9
97.02888	6.6
97.06536	10.8
97.10170	14.0
98.21461	1.5
99.04431	1.3
99.08090	1.6
103.03996	1.1
105.07032	11.1
107.04939	3.4
107.07865	1.2
107.08590	26.8
109.06515	3.1
109.10159	45.7
111.04430	2.2
111.08078	8.0
113.06042	1.5
116.04712	1.8
117.07024	9.3
119.08582	10.8
121.06504	2.8
121.10156	10.2
123.08035	3.0
123.11716	3.3
125.09634	15.2
127.03858	1.0
129.05521	5.9
129.07010	2.4
131.08554	8.0
133.10141	11.6
135.08022	2.8
135.11691	10.1
135.38084	0.9
137.09657	2.4
139.11125	1.0
143.10646	1.4
145.10159	5.1
147.08034	1.2
147.11699	4.4
149.09662	1.0
149.13249	10.8
151.11230	1.4
153.12761	3.3
155.10641	5.2
159.11639	7.9
163.11197	8.4
165.12796	1.6
173.09619	2.1
173.11743	15.1
175.11223	1.6
177.12750	3.8
181.12263	3.6
191.10651	3.0
193.12206	3.8
195.13799	13.2
199.13275	7.2
209.11688	7.8
211.13283	2.2
213.14922	1.5
227.12781	8.2
229.14360	47.8
239.16449	3.5
265.14041	0.9
267.15921	8.2
269.17484	53.2
283.15466	4.6
295.19193	1.1
298.10764	1.1
301.16437	16.9
311.22049	1.0
323.18570	1.1
339.23315	1.1
357.24448	1.4
393.26257	2.5
411.27417	4.1
422.26532	1.1
423.27460	29.5
431.27985	1.5
477.28339	2.5
495.29495	50.1
513.23517	1.5
513.30652	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	692.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.6
55.05254	1.8
55.05516	33.2
57.03429	17.9
57.07074	2.8
59.04993	4.5
61.02926	7.1
65.03942	3.4
67.05510	100.0
69.03434	4.6
69.07070	20.7
71.01356	1.4
71.04985	7.9
73.02916	6.1
79.05502	39.2
81.03422	16.3
81.07062	70.4
83.04987	10.2
83.08625	16.9
85.02912	18.2
85.06560	5.4
85.17667	1.1
87.04500	2.7
91.03939	4.1
91.04949	2.0
91.05485	29.8
93.07053	40.7
95.04959	6.6
95.08619	22.9
97.02908	6.7
97.06547	9.7
97.10175	16.2
99.04478	1.5
99.08099	2.5
105.04498	1.1
105.07027	10.6
107.04971	3.7
107.08597	28.5
107.09280	2.2
109.06528	2.6
109.10165	50.6
111.04462	2.0
111.08117	5.9
113.06003	1.3
117.07021	10.2
119.08591	9.6
121.06543	3.1
121.10156	12.1
123.08062	3.3
123.11708	5.0
125.09632	14.2
127.03887	1.2
127.07486	1.5
129.05487	6.4
129.06978	2.1
131.08557	9.7
133.10146	13.3
135.08040	3.1
135.11694	10.5
137.09615	2.7
141.09190	1.4
143.06982	1.5
143.10669	2.7
145.10112	4.1
147.11716	4.4
149.09641	3.2
149.13261	13.1
151.11195	1.7
153.12714	4.3
155.10686	5.4
159.11699	8.5
163.11165	10.5
165.12845	2.3
173.11772	17.5
173.13168	2.0
175.11208	1.7
177.12759	4.3
181.12274	2.3
191.10661	4.4
193.12190	5.6
193.41345	1.0
195.13840	18.9
199.13338	9.1
208.44415	1.1
209.11758	9.7
211.13310	4.5
213.14832	2.6
227.12779	8.1
229.14372	55.0
239.16386	3.6
257.13916	2.4
265.14401	2.3
267.15894	9.6
269.17502	70.1
283.15399	7.8
297.17078	2.0
301.16498	20.7
393.26337	2.7
399.81833	1.3
411.27234	5.7
422.26477	1.9
423.21667	2.1
423.27435	38.0
431.27948	2.0
437.28937	1.5
477.28137	3.2
495.29501	66.9
496.29971	1.5
513.23511	2.1
513.30652	31.7
607.45221	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03187	2.0
53.03931	3.8
55.01857	2.7
55.05252	1.4
55.05511	18.5
55.95436	0.9
57.03440	12.8
61.02911	3.9
65.03931	1.3
67.05166	1.7
67.05503	24.5
69.03436	4.7
69.07076	6.8
71.05005	4.6
72.56187	1.0
79.05055	1.5
79.05492	25.0
80.90339	1.3
81.03417	74.0
81.07058	28.9
83.04527	1.6
83.04980	17.3
83.08132	1.4
83.08624	27.5
85.02418	1.8
85.02908	30.8
85.06519	2.3
91.03966	1.9
91.05482	33.7
93.07052	18.6
95.04971	33.1
95.08115	1.0
95.08614	10.6
97.02916	5.1
97.06516	4.2
97.10165	3.2
99.08070	2.0
103.05544	0.8
105.07030	25.4
107.04961	9.8
107.08594	6.2
109.06522	5.2
109.10151	3.0
109.99969	0.9
111.04450	2.2
111.08083	11.8
113.05979	2.7
115.05423	2.1
117.06980	1.6
118.87320	0.9
119.08579	22.9
121.06493	1.8
121.10147	10.1
123.08064	2.1
123.11709	2.0
129.06993	13.1
131.08566	13.6
133.06462	3.4
133.10147	11.4
137.09558	1.4
141.06943	1.2
142.07744	3.8
145.10103	2.0
147.08012	3.0
147.11707	19.3
149.09621	6.2
157.10121	19.8
165.12711	3.4
175.11197	18.7
193.12236	61.8
211.13293	100.0
212.13652	1.6
233.15134	0.9
249.14760	1.8
267.13000	1.1
267.15912	37.0
285.16965	88.3
286.17096	1.3
320.32111	1.3
367.22592	3.3
385.23642	4.7
433.25815	1.7
459.27432	21.6
477.21985	1.9
477.28452	24.8
495.29529	71.2
496.30014	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05509	1.3
57.03431	1.1
57.07096	0.4
59.69669	0.4
61.02930	4.9
67.05508	10.2
67.60797	0.4
69.03441	2.6
69.07057	0.5
69.32314	4.2
71.05002	1.0
73.02922	3.5
79.05501	2.0
81.03417	2.1
81.07057	4.3
83.08633	0.8
85.02910	4.1
91.03973	2.7
91.05469	1.7
93.07046	3.3
95.04964	0.8
95.08619	2.5
97.02898	5.5
98.20758	0.7
99.04449	0.9
101.02388	1.9
105.07033	1.3
107.08619	1.7
109.02893	0.7
109.10157	7.6
115.03934	0.5
119.08602	1.1
121.10167	1.7
123.84019	0.5
127.03934	1.8
131.08568	0.8
135.11717	0.8
149.64566	0.5
155.10616	0.8
173.11783	1.3
185.04262	0.6
195.09935	0.7
229.14374	0.7
243.08505	2.3
275.80487	0.5
335.25815	0.7
413.17920	8.0
468.49103	0.5
519.29236	4.5
691.40283	100.0
692.40759	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	691.442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	9.0
55.01874	4.4
55.05519	26.5
57.03443	11.8
57.07085	3.8
65.03942	5.6
66.96830	2.3
67.05510	76.7
69.03439	24.4
69.07065	20.7
69.59172	7.0
69.59603	12.1
71.01357	2.9
71.04994	7.6
73.02915	3.5
79.05499	51.5
81.03415	42.2
81.07064	100.0
83.04994	16.3
83.08630	11.2
85.02911	6.1
85.06537	3.8
86.09710	3.0
86.52007	2.5
89.06010	3.5
91.05482	47.8
93.07053	65.4
95.04973	15.9
95.08612	47.3
97.02930	14.2
97.06522	9.2
97.10179	5.1
99.04492	6.0
99.08114	4.6
103.05466	2.7
105.07040	57.7
107.04959	7.0
107.08610	31.5
109.02869	5.2
109.06544	6.5
109.10154	19.0
111.04448	10.3
111.08110	6.4
115.05460	2.6
115.26444	2.8
117.07023	17.2
118.71719	2.4
119.08572	29.9
121.06525	6.7
121.10162	23.0
123.04455	3.2
123.08070	5.3
123.11695	11.1
125.00004	3.1
125.09655	4.4
127.03925	5.3
129.05551	3.1
129.07024	10.8
131.08574	26.6
133.10155	23.8
135.08081	4.0
135.11711	17.1
137.09608	5.3
142.07780	3.0
143.08586	9.8
145.06483	2.8
145.10162	16.3
147.08083	5.0
147.11697	21.3
149.09637	5.5
149.13287	16.0
151.07512	4.0
157.10147	11.6
159.11673	18.4
161.09665	2.8
161.13203	4.0
163.11131	3.4
165.12813	5.7
167.08586	4.4
169.10139	7.8
171.11700	8.9
171.64641	2.4
173.13278	7.4
175.11162	2.7
177.12752	6.1
179.14217	2.4
181.10071	3.5
183.11755	2.9
184.07350	14.4
185.09605	2.6
185.13281	6.3
187.14781	3.4
195.13832	7.7
197.13358	3.3
199.14923	2.7
209.13277	3.1
211.11258	3.1
229.14398	4.0
259.20596	4.0
261.22366	4.2
267.15945	8.1
269.17538	34.0
273.22079	3.7
295.01886	2.8
301.21561	7.4
319.22696	2.8
327.23209	3.5
335.25775	7.3
337.27420	4.5
341.24823	3.1
345.24347	3.6
351.23230	4.4
369.24426	12.1
387.25409	7.9
405.26022	4.3
436.58237	3.2
443.28119	4.8
461.28827	6.2
479.29932	4.6
529.39081	18.3
613.40875	3.0
616.39789	2.9
637.41125	5.0
655.41296	4.3
673.42871	18.4
691.42731	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	691.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
55.05510	1.5
56.53749	0.4
57.03436	1.7
59.66526	0.4
60.39258	0.4
60.95205	0.4
61.02931	5.5
67.05511	7.6
69.03441	3.2
69.07069	1.4
69.37761	3.8
73.02916	3.9
79.05505	3.4
81.03418	1.8
81.07057	4.1
83.08593	0.4
85.02912	4.4
91.03957	4.4
91.05473	1.9
93.07050	3.6
95.08614	3.5
97.02892	4.9
99.04500	0.6
101.02390	1.8
105.07052	1.7
107.08606	1.6
109.02876	0.7
109.10170	4.2
112.73215	0.4
115.03928	0.6
119.08641	0.9
121.10146	1.3
127.03932	0.9
131.08592	0.8
133.10139	0.8
135.11726	0.7
140.73376	0.4
145.05031	0.6
155.10765	0.5
161.73404	0.4
182.31427	0.5
185.04283	0.7
188.04381	0.4
195.09926	0.7
213.98537	0.4
229.14407	0.6
243.08537	1.0
251.59869	0.4
335.25781	0.9
345.25098	0.4
412.07440	0.5
413.17825	4.0
445.50140	0.5
519.29272	8.3
546.40149	0.4
576.86713	0.5
671.09833	0.5
691.40295	100.0
692.40540	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	690.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01858	5.9
55.05264	1.2
55.05515	16.6
55.84049	1.1
57.03185	1.3
57.03439	13.3
57.07058	1.0
61.02921	1.9
61.47672	1.1
65.03960	1.3
67.05509	23.2
69.03434	4.4
69.07060	7.6
69.36626	9.6
71.04984	4.8
73.02920	2.2
79.05499	30.2
81.03423	41.4
81.07065	29.2
83.01342	2.4
83.04990	14.2
83.08622	19.2
85.02914	18.4
85.06561	1.8
86.09731	2.2
91.03982	1.3
91.05486	28.7
93.07053	31.2
95.04978	20.8
95.08611	25.5
96.08965	1.3
97.02895	6.9
97.06528	4.6
97.10164	2.9
99.04456	2.4
105.07043	20.2
107.04969	10.4
107.08596	22.7
109.06517	7.0
109.10163	4.1
111.04469	3.2
111.08087	7.7
113.06013	1.4
115.05417	1.5
117.07011	7.7
119.04955	2.0
119.08597	17.4
121.06508	4.9
121.10156	14.8
123.08064	5.4
123.11711	2.0
124.99979	1.2
125.06001	1.7
125.09645	1.8
127.03905	1.3
129.07036	7.3
131.08589	9.1
133.06502	2.8
133.10144	9.7
133.83636	1.1
135.08058	2.8
135.11696	27.6
137.06042	1.2
139.07463	1.7
142.07768	2.0
143.08556	1.6
145.10143	19.0
147.04431	3.7
147.08026	3.2
147.11673	8.4
149.09601	4.5
153.12831	1.5
157.10112	10.4
161.09691	1.6
163.11186	37.7
165.12775	2.6
169.23875	1.1
175.11211	9.1
181.12218	7.8
184.07300	6.3
191.10564	2.4
193.12267	26.4
209.11754	3.4
210.35480	1.2
211.11285	1.9
211.13309	38.9
227.12779	39.3
267.15942	19.5
283.15421	58.9
285.16974	46.8
383.22385	1.7
422.26050	1.3
457.25989	1.9
458.98370	1.2
475.26968	25.7
493.28000	100.0
494.28268	2.0
635.36237	1.2
690.35504	3.6
690.45837	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	690.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.1
56.05042	0.7
57.07070	0.3
58.06625	0.5
59.07390	0.2
60.08168	6.4
62.07574	0.1
67.05494	0.4
69.07082	0.1
69.93845	0.6
71.07378	3.4
71.08611	0.2
79.05483	0.2
81.07053	0.3
86.09708	31.3
87.10041	0.3
93.07078	0.2
94.31989	0.1
95.08624	0.2
98.98466	3.7
104.10741	2.5
109.10133	0.2
113.05908	0.1
125.00008	20.4
135.17516	0.1
143.01093	0.2
166.02682	0.1
184.07346	100.0
185.07748	0.6
331.76517	0.1
425.87024	0.1
434.23431	0.2
496.34119	0.2
690.46960	5.6
691.47314	0.3
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
53.03935	3.1
55.01871	7.7
55.05254	1.4
55.05508	18.2
55.57251	0.8
57.03441	11.2
59.04990	2.6
61.02933	4.1
65.03931	1.6
67.05506	19.5
68.66443	0.7
69.03422	3.2
69.07072	5.9
69.91444	0.7
70.77202	0.8
70.77556	1.9
71.04990	5.5
72.20029	0.7
73.02921	0.9
77.03922	1.0
79.05492	26.2
81.03419	46.6
81.07062	24.3
83.01354	6.1
83.04478	0.9
83.04980	16.0
83.08621	19.4
85.02409	1.5
85.02901	18.7
85.06537	1.7
91.03950	2.0
91.05479	28.1
93.07051	22.4
95.04969	20.2
95.08604	11.2
97.02897	5.9
97.06554	4.0
97.10162	3.6
99.04459	2.8
99.08069	1.3
105.06362	1.6
105.07024	19.1
107.04952	8.3
107.08598	10.7
109.06529	6.7
109.10155	2.8
111.04430	2.6
111.08084	7.2
113.06011	1.4
115.05496	1.0
117.07008	4.4
119.08589	16.0
121.06483	3.1
121.10136	9.5
123.08059	5.7
123.11639	0.9
125.05972	1.4
125.09660	1.5
125.85107	0.8
127.03881	0.8
129.07004	9.1
130.07866	0.9
131.08585	8.9
133.06491	2.1
133.10121	7.7
135.08069	1.3
135.11700	5.6
137.09607	1.4
142.07768	2.3
145.10124	10.5
147.08025	2.3
147.11694	9.6
149.09630	3.7
151.11125	1.1
153.12740	1.3
155.08534	0.9
157.10129	8.5
163.11185	15.0
165.12720	1.6
173.09610	1.8
175.11177	9.9
181.12254	1.6
191.10664	2.1
193.12239	28.2
209.11740	4.0
211.13297	48.8
212.13690	0.9
227.12852	2.0
249.14928	1.0
267.15900	10.4
283.15378	52.2
285.16968	37.9
312.73044	0.8
383.22113	2.7
400.58578	0.8
401.23352	1.1
457.25681	3.1
475.27014	14.0
493.27966	100.0
494.28091	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	690.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	7.1
57.27102	3.5
61.66560	3.7
62.12176	3.6
65.64655	4.1
67.05492	5.1
69.41060	16.9
69.41485	13.1
79.05481	7.1
81.03397	15.8
81.07045	16.3
82.70711	3.8
83.04965	8.1
83.08628	5.0
85.02879	5.8
87.47227	5.1
91.05477	11.8
93.07009	9.3
94.06570	4.6
95.07314	5.3
95.08598	5.9
96.08118	9.4
97.02908	4.5
97.06495	5.7
98.21426	8.4
105.07021	11.4
107.04922	5.4
107.08564	7.9
108.08073	10.2
110.09674	10.3
111.02972	4.0
119.08584	9.5
120.08089	12.8
121.06476	4.6
121.10164	3.8
122.06049	8.0
124.07543	5.6
124.41959	3.7
133.10133	8.5
135.08147	4.1
136.07584	21.2
138.09128	16.9
139.49504	3.9
145.10176	5.5
146.05882	5.1
147.04372	5.8
147.11674	5.4
148.07567	8.1
150.09171	4.9
152.07054	11.4
163.11229	4.8
164.06978	4.8
166.08611	27.2
172.03914	22.8
175.11186	4.3
184.07335	4.7
190.04982	13.9
193.12137	7.1
204.06593	26.9
211.13422	6.9
223.12317	4.7
223.89259	3.9
225.10242	8.3
235.08629	4.8
237.10219	9.9
238.10832	7.5
239.11841	7.1
250.11003	6.0
251.11789	9.2
262.10669	4.1
263.11795	17.6
265.13385	5.4
267.11282	18.1
267.16013	4.8
269.12839	10.1
271.14511	7.3
279.11304	25.0
281.12735	10.4
283.15308	10.8
284.11612	7.0
285.12283	28.3
285.17029	11.3
291.11218	11.8
293.12802	13.0
297.12375	39.4
299.13821	10.3
309.12323	13.4
319.10648	11.5
321.12219	10.4
323.10089	9.3
325.11890	20.4
337.11655	41.7
341.11221	4.9
357.14499	8.7
359.16068	5.9
421.19800	5.8
430.17868	6.5
431.31415	5.7
432.19064	8.4
434.10510	5.0
442.17319	5.8
448.18741	21.5
449.19489	21.5
450.20142	17.0
460.18558	16.8
462.19949	6.5
475.26974	6.2
476.17596	5.9
477.18646	7.2
478.19672	6.6
490.19788	33.3
492.21222	12.4
493.28128	26.5
522.22284	34.6
523.22937	10.5
595.25482	10.6
613.26575	100.0
645.28967	18.3
690.33807	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	14.1
54.51493	1.4
55.01864	5.9
55.05513	29.2
57.03223	1.2
57.03442	13.7
57.07044	2.6
65.03937	5.2
67.05507	76.8
67.74458	1.5
69.03432	31.5
69.07070	18.5
70.85269	3.4
71.04985	11.3
71.21894	1.9
73.02920	1.9
79.05494	70.4
81.03418	100.0
81.07056	69.1
83.04990	20.3
83.08626	23.0
85.02905	18.5
85.06523	3.3
91.05482	66.5
93.07043	69.4
95.04967	31.8
95.08610	41.7
95.09222	2.3
97.02897	17.7
97.06538	9.2
97.10168	6.7
99.04454	6.6
99.08088	2.1
103.05517	2.1
105.04528	2.8
105.07033	46.4
107.04959	8.8
107.08598	33.0
109.02876	19.1
109.06516	6.7
109.10139	17.2
111.04461	12.4
111.08089	9.3
113.06013	2.4
115.05453	4.3
116.06251	1.9
117.07018	16.8
119.08579	34.5
119.79278	1.5
121.06490	3.7
121.10141	28.0
121.48557	1.5
123.04476	2.5
123.08058	4.4
123.11722	7.2
125.09626	2.6
127.03918	11.5
128.06235	4.3
129.05510	2.5
129.07004	15.0
131.08572	25.6
133.06465	5.2
133.10136	20.8
135.08064	4.1
135.11705	15.0
137.05942	2.0
141.07002	3.4
142.07765	3.9
143.08527	8.8
145.06528	2.7
145.10115	16.8
147.08067	4.6
147.11697	21.5
149.09666	6.7
149.13286	5.5
153.12782	2.6
155.08597	4.6
157.10127	18.6
157.51393	1.6
159.08211	1.9
159.11693	8.4
161.09642	2.1
161.13286	7.1
163.11198	5.1
163.14850	2.4
165.12715	4.3
167.08595	3.1
169.10152	2.9
171.07997	2.6
171.11714	9.0
173.04543	4.5
173.09657	2.5
173.13278	7.8
175.11154	13.6
175.14841	2.6
181.12302	4.3
183.06648	1.9
183.11781	3.8
185.13264	4.0
187.11336	2.6
187.14853	3.4
191.10710	3.9
193.12242	43.6
195.11755	2.5
195.13974	1.7
197.13118	2.6
199.11200	1.8
199.14857	2.0
201.16391	2.1
204.52269	1.4
205.12308	2.0
209.11606	1.7
211.13281	59.0
211.15175	3.7
213.12697	2.8
215.14493	1.8
223.15083	1.6
227.12827	5.9
229.14400	3.3
243.21133	2.2
249.14926	2.9
259.20557	3.3
261.22202	7.0
267.15833	7.4
273.14783	2.3
277.21637	2.5
285.16910	8.0
301.14359	3.4
301.21738	5.6
317.24960	2.4
319.22656	1.8
335.25919	16.9
337.16351	2.8
339.22998	2.7
351.23322	3.8
355.17542	9.2
359.14908	1.7
369.24164	8.1
387.25278	3.8
405.26596	2.1
411.20084	5.3
435.32385	1.8
443.28528	3.5
461.29272	4.7
471.34433	2.5
527.37012	9.6
545.38446	10.9
635.39447	2.3
653.40649	4.6
671.41504	6.8
689.42560	64.3
690.42999	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	689.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	1.7
53.03943	11.4
55.01869	5.3
55.05508	28.4
57.03440	11.5
57.07079	1.8
60.22061	1.0
61.02921	2.5
62.41300	1.0
63.48086	1.1
65.03924	5.7
67.05506	68.4
69.03429	33.3
69.07063	17.2
69.53177	6.6
69.53587	2.1
71.04992	11.1
73.02923	2.0
79.05495	67.7
81.03417	100.0
81.07055	73.4
83.04982	20.2
83.05452	2.0
83.08622	20.9
85.02904	19.8
85.06546	3.5
87.04427	1.3
88.73239	1.2
91.05048	0.9
91.05480	64.3
93.07044	65.8
94.07360	1.2
95.04967	29.8
95.05544	2.2
95.08604	45.0
97.02892	23.6
97.06534	8.0
97.10172	5.6
99.04459	6.3
99.08067	2.3
103.05466	2.5
105.04520	2.0
105.07029	48.2
107.04966	8.4
107.08595	31.9
109.02876	17.1
109.06517	7.8
109.10155	16.2
111.04435	12.3
111.08075	10.0
115.03898	1.5
115.05472	2.4
116.65798	1.2
117.07025	17.6
119.04941	2.6
119.08580	33.8
121.06522	5.7
121.10140	28.3
123.04443	4.0
123.08051	5.5
123.11681	6.1
125.09636	2.7
127.03905	12.7
128.06233	2.9
129.05490	3.1
129.06973	18.0
131.04947	1.4
131.08575	30.8
131.09500	2.3
133.06534	4.7
133.10139	20.9
133.11072	2.1
135.08104	3.4
135.11707	14.1
137.06015	1.4
137.09619	2.6
137.13350	1.2
141.07010	3.7
142.07823	3.7
143.08559	10.3
145.06520	3.1
145.10112	18.2
147.08029	6.5
147.11688	22.1
149.05977	1.6
149.09618	9.3
149.13237	5.4
151.07552	1.9
151.11230	1.8
153.12747	2.2
154.07878	1.5
155.08534	6.0
157.06522	2.4
157.10130	17.8
159.08104	2.0
159.11656	9.3
161.13187	5.9
163.11142	6.0
163.14848	1.8
165.12769	7.3
167.08601	4.0
169.10167	5.5
171.08067	1.8
171.11681	6.7
173.04488	6.4
173.09662	1.7
173.13261	8.2
175.11166	13.2
175.14847	2.2
177.12807	1.9
179.08673	1.8
179.50407	1.2
181.10168	3.3
181.12279	3.3
183.11684	6.0
184.07353	1.2
185.09616	2.0
185.13229	6.5
187.11127	1.4
187.14870	3.7
189.12793	1.9
189.16374	1.2
191.10730	4.2
193.12239	35.7
195.11775	3.7
195.13844	1.5
197.13261	4.0
199.05984	1.5
199.11313	1.7
199.14783	1.9
201.12813	1.2
209.13342	3.9
211.11339	1.9
211.13271	52.8
212.13664	1.5
213.12845	1.9
213.16499	1.7
227.12836	4.3
229.14302	1.4
241.19565	2.4
243.21117	1.3
249.14822	2.1
250.65125	1.1
259.20599	3.7
261.22141	8.4
267.15884	10.1
269.17639	1.5
273.15002	1.7
277.21698	1.5
285.16959	9.8
289.21725	1.9
291.23489	1.2
297.22180	1.7
301.14212	1.8
301.21771	3.1
313.21878	1.5
315.23190	1.5
317.24750	1.4
319.22906	1.3
323.23828	1.7
333.24225	1.8
335.25858	10.4
337.16739	2.8
341.24695	1.5
345.24316	1.4
351.23309	3.0
355.17465	6.6
369.24326	7.4
387.25433	1.6
411.20114	5.9
435.32748	2.3
453.33350	2.0
461.29117	4.2
509.36115	1.5
527.37262	20.1
545.38477	10.1
635.40131	2.6
653.40765	3.2
671.41553	6.6
689.42603	63.5
690.42816	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	689.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07369	0.4
55.05501	0.4
61.90729	0.3
64.46748	0.4
67.05489	0.6
69.03436	0.8
70.06594	0.7
71.04999	0.5
71.34519	0.4
71.34853	0.4
75.80808	0.4
79.05518	0.5
81.03414	0.8
81.07045	0.6
85.02919	0.9
91.05508	0.8
93.07047	1.2
94.46590	0.4
95.08599	1.1
97.02879	0.9
105.07043	1.6
107.04999	0.4
107.08620	1.1
109.02897	0.5
109.10173	0.5
119.04937	0.6
119.08624	0.9
121.06572	0.5
121.10126	0.5
122.03648	0.4
123.08104	0.6
124.11244	1.1
125.11583	0.6
127.03929	2.6
129.07005	0.5
131.04913	0.7
133.10133	0.6
137.06009	1.4
147.04437	1.8
147.11661	0.5
149.09682	0.4
151.03883	0.4
153.01900	1.7
161.09573	0.4
165.09132	2.0
167.07101	1.2
177.05579	0.7
180.54697	0.4
185.04201	3.6
204.06792	0.5
205.78210	0.4
223.71611	0.5
241.75380	0.5
271.05966	0.4
287.05588	2.1
287.10367	1.1
299.10132	0.5
483.28342	0.5
483.33997	1.8
527.33441	16.5
528.33539	0.7
612.90710	0.4
689.38739	100.0
690.39423	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	689.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82243	0.6
52.04636	0.6
53.03938	1.5
55.05503	2.1
56.57927	0.7
57.03437	1.2
60.50967	0.6
61.02936	3.8
65.03917	0.6
67.05511	6.0
67.95602	0.6
69.03425	2.9
69.07085	0.9
71.05000	0.8
71.61828	1.0
73.02912	2.6
79.05500	7.4
81.03423	2.3
81.07059	5.7
83.05000	1.8
83.08595	0.8
85.02917	4.5
91.03955	2.2
91.05497	6.0
93.07059	6.4
95.04974	2.7
95.08644	3.4
95.36989	0.7
97.02888	4.5
97.06522	0.7
101.02375	1.5
105.07037	4.7
107.04962	0.9
107.08584	1.9
117.07051	1.3
119.08592	2.8
121.10127	1.3
127.03922	0.9
129.07014	1.7
131.08588	1.3
133.10153	2.4
135.11713	0.8
136.44313	0.6
143.08553	1.0
145.10187	1.6
147.11710	2.4
159.11696	0.7
161.13234	1.1
171.11636	1.6
184.07495	0.9
243.08479	2.0
247.13098	2.5
303.15894	1.1
465.21054	14.5
689.35083	100.0
690.35474	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	688.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	10.1
55.01865	7.8
55.05514	23.9
55.23614	3.1
57.03426	14.3
63.58961	3.2
67.05505	54.2
69.07055	11.5
70.65425	10.2
71.04996	4.3
73.02901	3.1
79.05499	67.9
81.03419	74.1
81.07063	52.6
83.04998	21.9
83.08611	22.5
85.02924	24.6
85.06543	4.1
87.31006	3.3
91.04951	4.7
91.05486	69.6
93.06543	4.7
93.07057	61.3
95.04971	40.4
95.08606	26.3
97.02888	6.4
97.06521	8.2
97.10184	3.5
105.07027	57.1
107.04954	11.9
107.08601	21.8
109.06505	7.6
109.10156	8.4
109.15265	3.1
110.38960	3.3
111.08069	6.9
117.07021	9.5
119.08601	34.3
121.06501	5.2
121.10148	11.6
123.08064	4.9
129.07030	23.9
131.08536	13.2
133.10088	15.2
137.09384	2.8
143.08569	2.9
145.10127	13.1
147.08014	4.1
147.11716	36.5
149.09624	5.0
157.10126	14.0
161.13277	9.8
171.11766	20.5
175.11171	13.1
179.14151	3.3
189.12726	7.0
193.12250	43.1
207.13844	27.8
211.13315	40.6
267.15900	45.0
269.17603	3.0
281.17480	62.2
285.16962	47.4
394.24341	3.7
473.29013	100.0
474.29694	4.0
491.23373	5.1
491.30084	88.0
616.91516	3.2
617.67114	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	686.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86715	0.9
53.03945	1.7
55.05512	9.6
57.03439	11.2
57.07063	1.2
59.05006	4.7
61.02923	4.9
65.03935	3.3
67.05508	100.0
69.07062	7.0
71.04973	4.2
71.31038	1.9
73.02934	1.0
75.97481	0.9
79.05498	17.7
80.71658	0.9
81.07063	34.2
81.93982	1.0
83.04981	1.5
83.08620	9.4
85.02895	4.1
85.06528	3.2
89.52022	0.9
91.03927	1.0
91.05484	13.2
93.07051	24.5
95.04933	1.6
95.08033	1.9
95.08607	27.2
97.02863	2.0
97.06509	1.4
97.10136	1.9
98.14419	1.0
99.08073	1.6
105.07046	8.3
107.08599	13.4
109.10163	79.5
111.08073	3.5
117.07023	2.9
119.08579	11.4
121.10146	8.2
123.11694	4.2
125.09662	1.2
127.11231	1.1
131.08594	5.1
133.10172	4.9
135.11703	7.6
137.09593	3.4
145.10156	4.6
147.11691	4.2
149.13249	3.9
155.10680	7.7
159.11665	2.6
161.13284	3.1
163.14856	2.1
173.11775	19.2
173.13182	1.8
187.14790	1.9
194.09660	1.0
227.12854	4.9
229.14365	93.8
230.14607	1.6
243.21159	5.8
261.22165	16.6
317.24796	3.4
326.11917	1.2
335.25824	67.9
336.26282	1.7
379.29715	1.0
471.34775	1.3
489.28848	2.4
489.35809	41.5
490.35898	1.7
507.36624	2.7
682.77295	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10106	1.0
53.03934	1.5
55.05509	12.3
57.03441	12.1
57.07077	2.1
59.04996	3.2
61.02923	3.5
62.06402	0.9
65.03928	3.2
65.79198	0.9
67.05508	100.0
69.03429	1.9
69.07073	7.8
69.38528	1.9
69.38935	6.1
71.04979	2.7
79.05493	22.0
81.03461	0.9
81.07060	36.9
83.08618	9.2
85.02904	3.8
85.06541	3.0
90.35955	1.0
91.05486	14.1
93.07048	25.3
95.05000	2.3
95.08040	1.6
95.08616	24.9
97.02887	2.7
97.06557	2.0
97.10158	2.4
105.07040	8.3
107.07871	1.4
107.08594	15.6
109.10162	71.0
111.08070	2.4
117.07026	3.7
119.08605	9.5
121.10150	12.5
123.11721	2.3
125.09633	1.2
127.03943	1.1
131.08556	4.3
133.10139	4.4
135.11702	9.4
137.09589	3.5
145.10110	4.9
147.11711	3.1
149.13290	3.9
155.10692	8.2
159.11703	3.7
161.13251	3.8
163.14876	2.1
173.11739	14.9
173.13283	3.5
175.14827	1.4
177.16455	0.9
187.14859	1.7
194.50081	1.0
227.12787	3.9
229.14365	79.8
230.14621	1.2
243.21127	4.4
261.22171	16.3
317.24747	3.6
335.25821	73.7
397.30853	2.3
415.32211	1.9
489.35806	56.3
490.36099	2.1
507.36469	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.05500	19.7
58.41465	3.6
64.55763	3.3
67.05489	15.8
69.03428	6.2
69.07053	9.8
71.12805	7.3
79.05479	16.8
80.49973	3.6
81.03442	3.8
81.07059	39.9
83.04977	8.0
83.08617	9.4
85.02908	16.4
91.05460	33.0
93.07054	50.5
95.08613	55.0
97.10154	8.1
99.08086	13.4
105.07042	58.7
107.08604	82.3
109.06519	7.8
109.10178	33.3
111.08073	16.7
117.07012	13.0
119.08588	82.7
121.06472	6.7
121.10157	52.1
123.08083	3.9
123.11691	17.3
124.11232	12.0
125.09626	41.5
129.07027	4.9
131.08578	41.0
133.10139	53.6
135.11708	23.4
137.05945	10.7
137.09607	6.8
139.07549	4.2
143.08586	23.3
144.09265	5.7
145.05042	4.1
145.10130	67.4
147.04395	9.1
147.11694	47.5
149.09569	6.5
149.13260	11.6
151.11186	4.2
153.01805	4.3
155.08615	7.0
157.10156	28.0
159.11690	50.8
161.09491	5.9
161.13226	21.5
163.07578	6.0
163.11253	4.7
163.14839	7.3
167.07083	5.1
169.10165	8.7
171.11707	22.3
173.13264	43.8
175.14813	36.6
177.16411	28.8
183.11685	10.7
185.13295	32.5
187.14818	65.4
189.12811	5.1
189.16385	21.2
191.14333	17.4
191.18013	4.4
197.13283	12.3
199.14828	40.6
201.16402	53.6
203.14293	36.6
203.18085	9.5
205.15883	39.3
207.17424	4.8
211.14841	9.2
213.16425	36.3
215.14273	6.3
215.18024	7.8
217.15875	7.4
219.17448	11.2
221.15358	9.2
223.15022	4.3
225.16382	5.9
227.17905	10.3
229.15770	5.7
231.17468	5.8
237.16510	4.4
239.17941	6.8
245.15359	13.2
247.38004	3.6
249.14920	10.9
253.19876	4.2
259.16928	8.7
267.21033	9.9
333.25677	5.5
339.22986	4.6
377.32028	7.1
387.30371	9.3
393.31363	6.9
395.33447	5.8
405.31561	71.6
407.32858	14.4
411.32150	6.1
421.31091	8.4
423.32794	34.1
424.34055	4.6
433.31058	33.4
439.32144	10.7
441.33759	8.9
451.32098	100.0
457.32715	5.9
469.33224	50.2
480.51999	4.0
487.34143	7.0
494.29776	4.7
505.35294	6.8
618.74841	3.9
631.37860	5.7
684.23663	7.0
684.36346	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	683.143
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67645	6.8
69.68056	3.2
70.75072	1.8
81.03442	2.2
85.02904	3.2
138.92770	1.6
158.09290	1.6
311.61664	1.8
343.04260	22.9
379.06357	61.7
451.44177	1.6
567.13361	8.2
665.13702	3.6
683.14325	100.0
684.14789	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	681.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09113	0.4
53.03935	0.5
55.05513	1.0
55.99273	0.4
57.03424	1.6
61.02933	4.4
63.23389	0.4
67.05511	3.5
69.03432	2.5
69.07066	1.2
71.04994	0.8
71.10801	0.8
73.02926	2.6
79.05503	2.7
81.03410	3.3
81.07055	3.4
83.04993	0.9
83.08599	1.1
85.02901	4.9
91.03967	3.0
91.05479	2.6
93.07046	2.8
95.04966	1.8
95.08609	1.3
97.02892	3.4
97.06538	0.7
99.04468	0.8
101.02396	1.4
105.07034	1.3
107.08595	1.4
109.02890	0.7
111.08067	0.9
113.44797	0.5
115.03928	0.5
117.07061	0.5
119.08609	1.3
121.10148	1.3
127.03914	1.4
129.07051	0.5
131.08595	1.2
133.10136	1.3
135.11652	0.5
145.10100	0.5
147.11707	1.4
149.09697	0.5
149.13284	1.4
157.10226	0.4
175.11256	0.6
193.12289	1.6
211.13354	0.8
235.13150	1.2
243.08424	1.9
275.96393	0.4
291.15781	0.6
307.15182	0.6
335.04816	0.4
431.93613	0.5
453.20975	6.2
469.20523	8.1
681.34564	100.0
682.34955	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	681.3842
Annotation	Tenuifolin
Peak:m/z	Relative Intensity
50.08065	1.3
51.32137	1.5
53.03938	2.6
55.01868	3.2
55.05514	4.0
56.56808	1.4
56.96547	1.7
57.03434	3.5
61.02919	3.8
65.03935	1.5
67.05508	6.8
69.03429	15.5
69.07072	5.7
70.06586	2.4
70.35735	1.4
71.04998	3.7
71.65367	1.7
73.02931	2.8
77.27473	1.8
79.05499	6.0
81.03413	7.6
81.07064	13.5
81.47341	1.5
83.04995	3.1
83.08627	3.8
83.37193	1.5
85.02908	27.2
91.03952	2.2
91.05475	13.4
93.07042	12.8
95.04984	5.8
95.08611	18.4
97.02901	12.5
97.06538	2.7
99.04471	2.1
100.11287	1.9
105.07032	37.6
107.04949	2.5
107.08602	20.8
109.02905	4.9
109.06536	3.8
109.10172	7.3
115.05490	2.8
117.07039	5.2
119.04944	2.2
119.08584	45.6
121.06528	6.3
121.10147	16.1
123.08083	2.9
123.11732	2.5
124.11266	2.5
125.09610	1.8
127.03940	5.3
128.06267	2.3
129.07016	5.1
130.07813	2.6
131.08569	18.0
133.06543	2.4
133.10133	26.5
135.08067	9.4
135.11705	10.1
137.06003	6.2
141.07021	2.3
142.07785	3.8
143.08578	17.4
144.09390	2.4
145.04994	2.0
145.06506	2.8
145.10130	26.6
147.04440	5.8
147.08075	6.0
147.11688	16.0
149.09650	6.1
149.13278	5.3
151.07512	2.3
153.01822	3.2
153.09146	2.5
155.08551	4.0
156.09387	6.6
157.10144	16.9
158.10927	2.4
159.08099	5.6
159.11690	32.5
161.06021	2.0
161.09628	10.6
161.13254	27.5
161.14410	2.4
163.07616	2.0
163.11208	3.9
163.14825	4.1
163.70831	1.5
169.10107	7.5
170.10915	2.5
171.11711	19.3
173.09659	5.3
173.13272	23.4
175.11249	7.0
175.14816	22.5
177.12846	6.7
177.16446	1.8
181.10190	2.8
183.11705	11.6
185.09720	3.8
185.13243	13.9
187.11224	6.5
187.14893	9.4
189.12747	16.8
189.16391	19.4
191.14342	3.9
195.11653	3.6
197.13284	7.7
199.11201	10.5
199.14841	8.1
201.12672	9.4
201.16483	4.5
203.14363	6.3
207.11856	2.6
207.13737	14.7
209.13297	3.2
211.11192	2.4
211.14851	3.2
213.12813	3.3
213.16406	4.8
215.14360	4.2
217.12274	5.4
217.15906	6.7
219.13843	3.2
223.14908	1.9
225.16495	3.8
227.14320	3.3
227.18005	6.3
229.12285	4.8
229.16010	2.1
229.19579	2.4
231.13850	2.5
231.17519	2.8
233.15495	1.8
235.16960	1.7
237.16533	2.0
239.14348	2.3
239.18037	2.8
241.15938	2.0
241.19534	4.3
243.17311	2.2
245.15416	2.1
247.13344	3.4
249.16695	2.1
251.17857	2.0
253.15941	1.8
253.19673	3.0
257.19025	2.6
269.09613	2.9
275.17969	1.6
289.18307	2.0
329.11765	2.1
331.24402	1.7
369.24472	2.5
370.25070	2.1
371.27618	2.5
373.29044	3.1
389.28479	6.9
391.30161	2.6
401.28571	5.3
407.29678	2.7
419.29434	11.8
435.29730	11.4
437.30914	11.5
447.28879	9.9
453.30051	9.8
455.31635	6.1
465.30060	80.4
483.31119	91.7
484.31534	3.8
501.32144	91.4
502.32498	3.9
519.33240	61.5
627.35046	8.4
663.37463	27.4
681.24316	11.1
681.38538	100.0
682.38593	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	681.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.9
56.96542	0.5
57.03440	1.7
61.02924	4.4
67.05502	3.0
69.03427	2.7
69.07076	1.1
69.97575	2.2
69.97964	0.9
71.01344	0.6
71.05000	1.1
73.02912	2.7
79.05483	2.4
81.03420	3.1
81.07069	4.5
83.04978	0.5
83.08620	1.5
85.02901	5.0
91.03961	2.6
91.05477	2.4
93.07045	3.2
95.04979	1.3
95.08607	1.8
97.02897	3.4
99.04459	0.9
101.02383	1.6
102.69901	0.4
105.07044	2.2
107.04994	0.5
107.08619	1.7
109.02911	0.8
109.10173	0.5
110.87958	0.5
111.08082	0.9
117.07011	0.4
119.08585	1.5
121.10171	1.4
121.55392	0.4
127.03923	1.5
129.07040	0.6
129.87538	0.5
131.08551	1.0
133.10147	1.8
135.11725	0.5
145.10146	0.5
147.11729	0.8
149.13251	0.6
157.10223	0.7
175.11285	0.8
187.58096	0.5
193.12302	1.0
217.85802	0.4
235.13069	1.1
243.08449	2.0
251.12558	0.8
261.27371	0.4
267.08911	0.6
271.65158	0.4
307.14999	0.8
438.19699	0.5
453.21002	4.9
469.20419	7.6
538.03156	0.6
681.34515	100.0
682.35114	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	679.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46532	0.3
54.70884	0.4
55.01857	0.6
55.05512	1.0
57.03430	1.9
58.62150	0.4
61.02929	4.9
67.05206	0.4
67.05513	4.6
69.03436	2.6
69.07057	1.4
69.99360	1.6
69.99781	0.8
71.05016	0.6
73.02927	3.1
79.05499	3.4
81.03413	2.5
81.07057	5.2
83.04996	0.9
83.08624	1.7
85.02906	4.9
85.06551	0.5
86.09727	1.0
87.04442	0.5
91.03961	3.1
91.05477	2.6
93.07047	3.8
94.20077	0.4
95.04997	0.7
95.08603	1.8
97.02908	4.4
97.06547	1.1
97.10192	0.5
99.04433	0.8
101.02380	2.1
103.03952	0.5
105.07040	1.2
107.04937	0.5
107.08614	2.3
109.02854	0.7
109.06530	0.7
109.10124	0.6
111.08063	0.8
117.07014	1.4
119.08603	1.1
121.10146	1.2
123.08075	0.8
123.11707	0.4
127.03909	1.5
131.08583	0.8
133.10117	1.2
135.11690	1.3
145.10133	1.5
149.13301	0.7
159.11688	0.8
163.11220	1.8
164.88759	0.4
184.07364	2.0
195.13855	1.1
209.11865	0.6
235.13084	1.2
243.08430	2.0
269.17487	0.8
451.19101	0.7
453.21005	7.4
467.18866	6.4
566.57678	0.5
679.32977	100.0
680.33173	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	679.3297
Annotation	Toxiusol
Peak:m/z	Relative Intensity
51.52328	0.6
55.01857	0.6
55.05517	1.3
57.03429	1.8
61.02930	5.2
67.05510	3.0
69.03436	2.4
69.07079	1.6
69.59081	0.9
69.59486	3.0
71.04990	0.8
73.02914	3.3
79.05497	2.6
81.03413	1.7
81.07043	5.1
83.04977	0.9
83.08618	1.5
85.02918	5.2
86.09701	1.6
91.03957	2.0
91.05479	1.9
93.07046	4.7
95.08627	1.1
97.02897	4.3
97.06548	0.9
98.20675	1.1
99.04487	0.8
101.02403	2.2
107.08602	2.6
111.08118	1.1
117.07073	1.1
119.08553	1.2
121.06514	0.6
121.10156	1.1
125.00013	1.5
127.03956	1.2
131.08517	0.7
133.10144	1.7
135.11737	1.3
145.10184	0.7
149.13214	1.4
159.11725	1.2
163.11186	1.4
163.91426	0.6
184.07320	5.2
185.07674	0.7
228.81750	0.6
243.08522	2.1
263.94720	0.6
269.17438	0.7
323.13074	0.6
453.21002	8.4
467.18893	6.0
580.63110	0.7
585.79688	0.7
679.32996	100.0
680.33063	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12163	0.2
56.05020	0.7
58.06602	0.3
60.08162	6.3
63.12256	0.2
67.05463	0.2
69.03421	0.2
69.07040	0.2
69.67673	1.4
70.06579	0.6
71.07010	0.3
71.07369	3.3
79.05476	0.3
81.03397	0.3
81.07018	0.3
82.18997	0.2
85.02903	0.3
86.09705	30.8
91.05465	0.6
95.08602	0.3
97.02876	0.2
98.21461	0.4
98.98466	2.8
102.76310	0.2
104.10753	2.3
105.07029	0.7
107.04967	0.3
125.00003	20.7
133.10081	0.3
134.94170	0.2
135.08093	0.2
136.07600	0.2
140.79533	0.2
143.00977	0.2
147.04459	0.2
161.09630	0.5
166.08612	0.4
181.44182	0.2
184.07336	100.0
185.07626	0.5
225.13693	0.2
238.10918	0.3
239.11865	0.5
265.13300	0.2
267.11459	0.3
273.86380	0.2
274.16144	0.3
279.11328	1.0
291.11136	0.2
297.12305	0.6
298.12827	0.2
299.13843	0.3
309.12335	0.4
310.13171	0.4
312.73355	0.2
313.11804	0.5
314.11917	0.2
318.15497	0.2
337.11911	0.6
338.12619	0.3
339.13370	0.8
371.16281	0.2
373.13928	0.3
374.14291	0.4
389.64743	0.2
450.22238	0.3
460.18851	0.6
468.23895	0.3
478.19800	0.6
510.22290	0.5
531.56952	0.2
555.23694	0.3
601.26746	1.1
628.24780	0.3
633.28607	0.3
646.25751	0.2
678.36267	8.1
679.35791	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.3
55.05518	11.1
57.03432	8.5
57.07086	2.4
59.84126	1.8
60.10343	2.1
61.02933	19.9
61.52469	1.8
67.05510	69.8
69.03432	3.1
69.07063	8.9
70.69221	6.6
73.02911	8.1
76.50817	2.1
79.05501	40.2
81.03417	3.5
81.07062	85.6
83.04957	3.1
83.08625	9.1
85.02910	18.1
91.03960	17.0
91.05473	25.4
93.07056	52.6
95.04980	4.3
95.08612	67.0
97.02908	9.3
97.06528	4.9
97.10165	5.3
103.03979	2.2
105.07025	20.1
107.08600	37.6
109.10162	38.7
111.08077	2.4
117.07035	6.4
119.08587	16.4
121.10156	31.9
123.11723	19.6
127.03938	5.3
131.08553	20.5
133.10155	14.5
135.11702	27.4
137.13246	8.3
145.04977	7.9
145.10147	12.8
145.87537	2.4
147.11707	16.3
149.13271	14.8
151.14842	3.6
157.81631	2.6
159.11707	16.1
161.13297	10.7
163.06065	11.2
163.14822	10.8
165.12683	3.9
173.13268	16.3
175.14821	4.1
177.16342	5.0
179.14290	2.7
187.14830	6.1
205.15970	2.2
213.87947	2.3
243.21100	34.4
259.41687	2.2
261.22174	100.0
279.23172	4.6
335.25824	32.5
353.26895	32.1
435.16333	2.4
453.20776	3.8
458.72458	2.2
497.30951	7.5
677.35156	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03914	0.7
50.05080	0.6
53.40580	0.6
55.05510	1.5
57.03435	1.4
61.02921	5.9
67.05502	5.5
69.03429	3.3
69.07065	1.4
71.05002	1.1
71.62180	0.8
72.67793	0.7
73.02921	2.8
79.05489	6.3
81.03423	2.6
81.07066	8.2
83.04964	0.9
83.08618	1.8
85.02912	5.5
91.03954	2.9
91.05479	4.9
93.07053	6.1
94.13949	0.7
95.04983	1.5
95.08614	4.1
97.02894	3.6
97.06552	1.2
101.02386	1.9
105.07037	2.5
107.08614	2.3
109.10103	0.9
117.07024	1.6
119.08583	1.9
120.04872	0.8
121.10185	0.9
124.88030	0.7
125.10343	0.9
127.03946	0.9
133.10141	2.4
147.11697	2.2
149.13213	1.2
152.51978	0.6
157.19548	0.7
159.11633	0.8
160.59680	0.6
161.13293	1.0
170.95779	0.9
171.11697	1.2
177.12659	0.7
195.13864	1.0
241.87381	0.8
243.08426	1.6
247.13144	1.4
413.08624	0.8
419.14398	0.9
453.20963	7.3
465.21085	7.4
469.71686	0.7
677.35052	100.0
678.35492	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	677.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83532	0.2
54.47101	0.2
57.46571	0.2
57.70620	0.2
64.09042	0.2
67.05500	0.5
69.07055	0.3
72.74197	0.3
76.50285	0.3
79.05488	0.3
81.07058	0.4
84.74751	0.2
86.77313	0.2
91.05508	0.2
93.07057	0.3
95.08671	0.3
96.42531	0.2
98.20782	0.5
105.07042	0.3
107.01922	0.2
131.08563	0.3
133.03566	0.3
136.07640	0.2
149.02359	0.4
151.30896	0.2
155.71793	0.2
185.04248	0.9
193.04994	0.4
203.05292	1.7
256.26303	0.6
259.07986	1.0
271.26117	0.3
305.08084	0.3
347.09610	0.9
365.10574	3.1
421.13287	1.0
515.31940	20.4
516.32440	0.4
677.37201	100.0
678.37329	3.7
684.25879	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98449	0.6
53.03937	0.9
55.05505	1.8
57.03431	1.8
58.10434	0.6
61.02934	5.0
67.05508	9.1
69.03441	3.1
69.07063	1.6
69.59322	0.5
69.59648	4.4
70.49252	0.5
71.04992	1.0
73.02911	2.5
79.05494	6.9
81.03422	2.1
81.07062	9.8
82.22989	0.6
83.04967	1.0
83.08614	2.1
85.02917	4.5
91.03972	3.1
91.04437	0.5
91.05484	4.9
93.07046	9.7
94.77495	0.6
95.04967	1.3
95.08614	6.7
97.02881	4.7
97.06552	0.8
98.97565	0.6
101.02397	2.0
103.03942	0.6
105.07050	4.0
107.04961	0.6
107.08597	4.8
109.02918	0.6
109.10165	1.6
117.07033	1.6
119.08573	1.8
121.10183	3.3
123.11700	1.4
127.03922	2.1
129.07024	1.1
131.08559	2.9
133.10144	1.9
135.11748	2.0
145.04968	0.8
145.10149	2.0
147.11694	1.6
149.13252	3.4
159.11697	2.1
161.13304	1.6
163.06055	0.8
163.14818	1.4
165.12743	1.0
171.11722	1.0
235.13031	0.8
243.08455	1.6
243.21199	1.4
247.13177	0.8
261.22183	6.2
269.10696	0.6
335.25800	1.7
343.03629	0.6
353.26886	2.2
368.61713	0.7
399.85254	0.7
453.21082	6.3
465.21060	5.7
497.29892	0.7
532.75037	0.7
633.67383	0.7
677.35065	100.0
678.35193	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	676.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00554	1.1
53.03935	4.0
53.59037	1.3
55.01876	1.6
55.05516	13.4
55.65107	1.1
57.03439	12.9
61.02920	3.5
65.03917	1.7
67.05162	2.2
67.05506	41.9
67.05865	2.4
69.03428	4.3
69.06776	1.1
69.07079	13.8
71.04994	5.4
71.12039	1.7
73.02931	1.6
79.05499	30.8
81.03421	44.3
81.07060	52.3
83.04987	11.8
83.08620	17.0
85.02915	17.8
85.06533	2.9
91.03962	1.6
91.05485	29.7
93.07043	39.5
95.04967	19.6
95.08610	16.4
97.02900	3.7
97.06548	6.5
97.10163	4.4
99.08089	1.7
105.07030	18.2
107.04953	3.1
107.08595	18.2
109.06525	3.9
109.10146	2.4
111.04423	1.3
111.08080	8.8
113.06007	1.7
117.07029	4.4
119.08577	14.4
121.06501	1.4
121.10143	12.6
123.08061	2.2
123.11690	2.3
129.07027	8.3
131.08586	12.7
133.06488	2.0
133.10143	11.9
135.08034	1.7
135.11679	4.9
139.11235	1.3
142.07805	2.7
145.10150	1.5
147.08020	2.4
147.11714	10.4
149.09615	4.9
149.13272	15.2
149.40817	1.1
157.10162	8.2
159.11708	7.5
161.56473	1.3
165.12744	2.8
175.11150	7.3
177.12788	1.5
193.12257	27.1
195.13835	7.1
211.13289	39.2
211.15245	2.6
249.14864	2.8
254.90767	1.1
267.15939	23.2
269.17487	58.7
285.16971	34.7
435.27625	1.8
443.27954	1.2
461.28970	44.5
462.29071	1.4
479.30066	100.0
480.30438	2.4
505.35599	1.2
534.44415	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07046	0.9
53.03939	2.3
55.01862	2.0
55.05509	11.5
57.03434	8.7
61.02924	4.1
64.06500	0.9
65.03971	1.0
67.05505	28.7
69.03426	3.2
69.07068	11.2
71.04995	4.2
71.11712	2.0
71.12070	0.9
73.02917	1.2
73.17470	0.8
79.05047	1.7
79.05495	25.7
81.03422	34.4
81.03907	1.9
81.07058	44.8
83.04975	9.6
83.08620	16.3
85.02908	14.0
85.06523	2.2
91.03941	2.6
91.05482	22.8
91.06055	0.9
91.64516	0.9
93.07047	25.4
95.04971	15.9
95.08598	10.6
97.02874	3.4
97.06529	5.2
97.10168	2.9
99.08088	1.6
105.07034	14.2
107.04964	2.6
107.07935	1.7
107.08598	14.5
109.06512	3.1
109.10163	3.2
111.04424	1.5
111.08100	6.2
113.06026	1.4
117.07022	4.6
119.08572	9.8
119.37629	0.8
121.06504	1.9
121.10130	9.4
123.08067	1.5
123.11695	2.9
125.09592	1.4
127.03913	1.4
129.06999	5.0
131.08591	8.7
133.06499	1.7
133.10132	11.1
135.08054	1.1
135.11671	4.4
137.09578	1.1
142.07790	1.2
145.10185	1.0
147.08078	1.5
147.11693	8.8
149.09631	3.0
149.13274	7.2
151.11104	0.9
157.10120	7.3
159.11668	3.8
165.12723	1.7
167.14279	1.1
175.11177	7.0
177.12825	2.3
193.12242	22.6
195.13802	8.1
211.11285	1.5
211.13301	30.2
213.14745	1.1
267.15909	12.1
269.17490	43.7
285.16968	32.0
285.20197	1.6
387.25595	1.0
443.27945	1.3
461.28986	21.6
479.30060	100.0
480.30301	3.0
623.34137	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26186	4.4
60.54679	4.2
69.52949	38.5
79.05482	5.3
96.08126	12.1
108.08110	14.4
110.09689	19.3
120.04492	9.2
120.08093	13.4
131.61526	5.4
136.07574	20.1
138.09155	26.9
146.06007	6.6
153.01782	9.1
162.05501	6.4
166.08688	26.8
172.03900	14.5
190.05011	13.1
204.06541	16.7
225.10118	11.5
227.11737	7.1
237.10277	14.4
241.09708	13.2
249.10118	5.8
251.08295	8.0
253.09747	10.6
265.09769	17.9
267.11392	23.2
269.12881	8.8
271.10681	13.3
273.12616	5.7
279.11343	16.0
281.09540	4.8
283.10745	9.8
285.12354	10.8
287.05582	12.6
287.13916	13.9
293.09314	11.6
297.12341	6.1
299.10245	5.0
300.11050	9.6
304.85425	5.1
307.10626	5.5
309.12488	8.6
311.10315	8.4
312.10992	8.8
314.12857	11.2
315.13297	26.9
323.10815	7.6
325.11789	16.3
326.12750	8.2
327.13354	14.0
335.10147	9.9
339.13367	50.9
343.13184	4.8
353.11444	5.3
354.12024	6.2
355.12973	17.8
356.13882	6.8
357.14554	9.7
367.12869	20.1
370.15814	6.5
398.15213	11.6
398.55002	5.6
399.15869	17.4
416.15909	9.2
420.19165	7.8
446.17090	12.1
448.18576	5.8
458.17276	32.5
480.21277	28.8
482.87311	5.5
488.17938	9.2
490.19623	8.3
520.20807	100.0
521.21497	37.0
552.16644	5.4
552.23608	62.5
553.24176	22.7
569.23944	6.2
575.15295	5.3
611.25055	76.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45431	0.8
64.09731	0.9
69.07066	1.0
69.33279	8.2
79.05473	1.6
81.07071	1.5
91.05452	1.4
93.07042	2.0
95.07335	1.1
96.08127	3.5
98.21502	1.9
98.97565	1.2
105.07025	1.5
108.08118	2.8
109.10166	1.0
110.09695	5.3
120.04491	1.6
120.08112	4.3
122.06004	1.3
124.07592	1.6
135.11670	1.1
136.07584	3.6
137.05946	1.3
137.29207	1.1
138.09160	6.3
144.04462	1.7
146.05991	1.0
148.07541	1.1
150.09259	0.9
152.07037	1.2
153.01880	1.0
162.05452	1.1
164.06938	1.3
166.08649	8.6
167.07028	1.1
172.03925	8.3
176.07097	0.9
182.11725	1.1
190.04951	1.6
194.08102	0.9
197.10793	0.9
204.06577	14.8
216.60138	0.9
223.08762	0.8
225.10138	2.5
227.11774	2.4
237.10222	3.6
239.08189	1.2
239.11792	2.1
245.12938	1.1
249.10175	2.7
251.08113	1.9
251.11673	2.6
253.09685	3.3
255.85529	1.0
261.10190	1.6
263.11731	1.5
265.09656	5.4
267.11234	3.1
269.09195	1.1
269.12778	2.0
271.10901	2.0
273.12314	1.0
274.16122	1.6
277.09726	1.0
278.10590	1.5
279.07654	2.5
279.11279	4.5
281.12866	1.4
283.10818	4.4
285.12271	1.5
287.13937	6.2
289.09665	2.3
291.11148	1.3
293.09286	1.7
293.12872	2.2
294.09979	1.9
295.10837	2.2
297.12158	1.7
299.10400	1.5
299.13889	1.0
307.10693	1.3
309.12326	1.9
311.10245	4.3
311.13800	1.8
312.10938	1.8
313.11884	1.4
314.12646	1.1
321.12399	1.0
323.10181	1.8
324.10992	1.9
325.11810	3.3
326.12555	2.4
327.13422	5.7
335.10233	3.6
339.09491	1.7
339.13403	25.1
340.10498	1.6
340.14371	1.0
342.12320	1.0
354.12146	2.6
355.12823	7.3
357.14410	5.3
367.13010	10.0
370.15247	1.1
371.12250	1.3
386.14523	1.7
398.14987	3.1
399.15686	6.3
416.15948	2.9
430.17749	0.9
443.63654	1.2
446.17178	2.2
447.18088	0.9
458.17114	3.8
479.20502	1.1
488.18381	1.0
490.19781	2.9
492.21243	2.6
520.21008	7.7
552.23419	100.0
553.23364	3.1
611.24866	14.3
643.27295	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39766	1.9
55.05503	3.3
67.05493	6.2
69.03429	2.5
69.07072	2.8
69.44730	18.3
79.05482	5.5
81.03433	3.5
81.07041	5.8
82.07389	2.7
85.02911	2.4
91.05494	7.6
93.07030	9.0
94.06552	4.3
95.04958	6.2
95.07332	2.4
95.08569	2.8
96.08140	11.0
97.10135	2.1
105.07040	4.1
105.95787	2.2
107.04993	2.2
107.08586	3.7
108.04510	2.6
108.08107	9.3
109.06512	2.1
110.09674	15.8
119.08577	2.8
120.04453	4.5
120.08117	10.8
121.10138	3.2
122.06046	4.8
124.07609	5.8
133.10132	2.5
134.05991	2.9
136.07570	10.3
138.09129	19.9
144.04405	2.8
145.10123	2.1
146.05981	5.9
147.04376	2.4
147.11639	2.4
148.07584	4.1
152.07033	2.2
166.08623	21.5
172.03941	10.8
174.05530	2.5
184.07309	2.3
184.56494	2.1
190.04993	11.9
204.06554	16.4
211.08676	3.3
218.88652	2.3
221.10730	2.2
223.08636	2.4
225.10344	11.2
227.11832	9.7
236.09621	2.1
237.10217	9.6
238.11116	3.7
239.08104	4.3
239.11766	5.0
241.09715	7.0
241.13388	5.8
248.09486	3.2
249.10236	4.2
250.11172	2.7
251.08008	3.2
251.11781	7.6
252.08847	3.5
253.09694	9.4
255.11298	2.7
261.10110	2.4
264.09180	2.6
265.09760	9.7
266.10254	3.1
267.11362	11.8
269.12875	12.0
271.10919	12.3
273.12213	6.8
277.09787	3.0
278.10504	4.4
279.11288	14.9
281.08981	4.1
281.12799	2.3
282.09952	2.4
283.10767	9.8
285.12399	6.7
287.13974	14.0
289.09760	5.8
291.11435	4.3
293.09192	5.6
293.12622	4.5
294.10104	6.2
295.10791	5.3
296.11542	2.6
297.12338	8.0
299.10239	4.1
299.13916	4.3
300.11145	3.9
307.10941	3.3
309.12302	4.9
311.10287	6.2
311.13812	2.7
312.10858	3.9
313.11890	4.1
314.12607	6.4
315.13458	13.0
323.10242	5.7
323.13971	2.7
324.11057	2.6
325.11819	17.6
326.12595	5.1
327.13376	16.3
328.14594	2.8
335.10101	10.7
339.09500	2.9
339.13412	47.4
342.12549	3.3
343.13202	3.2
355.12799	17.7
357.14496	7.9
367.12906	27.3
370.15512	4.6
386.24191	3.0
390.18198	3.3
398.14969	9.4
399.15820	16.8
404.15756	4.3
412.16153	3.0
414.17905	4.1
416.15970	10.7
420.18887	5.3
428.16006	2.4
440.15936	5.2
446.16919	10.0
458.17099	25.3
459.27246	6.3
460.18253	2.9
460.27890	16.8
477.28476	6.3
478.28711	17.5
479.20328	2.8
480.21509	16.1
488.18088	7.8
490.19672	7.1
492.21243	6.0
520.20862	100.0
521.21448	23.9
552.23346	34.0
553.24005	6.6
569.23761	3.0
593.23639	6.9
611.25018	72.2
612.25269	2.9
626.24933	3.0
643.27380	5.0
675.35400	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	675.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.05503	1.2
56.96572	0.7
57.03427	0.6
61.01265	0.5
62.43289	0.5
63.42476	0.5
65.87038	0.6
67.05496	1.4
69.03445	0.6
69.07039	1.0
69.66498	3.1
79.05502	1.9
81.03440	0.8
81.07054	1.5
90.52219	0.6
91.05468	1.0
93.07059	2.6
94.06564	1.5
95.07351	0.9
95.08627	1.5
96.08127	3.3
98.20812	1.0
98.97574	2.0
105.07014	1.6
107.04994	0.6
107.08584	0.8
108.04498	0.7
108.08137	3.9
109.02876	0.6
109.10148	1.0
110.09681	4.5
116.04999	0.5
116.98633	0.6
117.06911	0.5
119.08682	0.6
120.04504	1.9
120.08109	4.0
122.06039	1.4
124.07591	1.4
127.03924	1.1
127.11175	0.9
130.71867	0.5
133.10173	1.1
134.06071	1.3
136.07576	5.4
137.05959	0.9
138.09142	7.6
138.91049	0.5
142.45811	0.5
144.04419	1.7
146.06052	1.1
147.04375	1.3
147.06834	0.7
148.07587	1.3
150.09151	1.0
152.07079	1.3
152.10735	0.7
153.01848	1.0
154.71669	0.5
158.27710	0.6
158.99689	0.8
160.03937	1.0
161.09532	1.2
162.05528	1.0
164.07025	0.9
166.08656	8.0
172.03943	8.5
176.07085	0.8
180.06693	0.6
180.10254	1.0
182.11777	1.6
184.07297	1.4
190.05005	2.3
192.10052	0.8
194.08203	1.0
197.10722	1.2
199.12285	0.6
204.06557	17.4
204.08430	1.2
211.08804	1.1
212.09477	0.9
213.10403	0.6
216.91792	0.7
223.08713	0.6
224.09416	0.6
225.10190	3.9
227.11847	2.6
235.08575	0.7
236.09328	0.7
237.10287	3.8
238.10922	0.8
239.08012	1.0
239.11797	2.4
248.09369	0.9
249.10291	2.9
250.11063	0.9
251.08160	1.8
251.11948	3.2
252.12474	0.6
253.09714	2.6
255.11383	1.1
263.11829	1.8
264.08990	0.8
265.09778	5.2
265.15616	0.6
266.10501	0.6
267.11240	3.5
269.09061	0.6
269.12869	2.0
270.09918	0.7
271.10840	2.6
273.12350	1.1
274.15964	2.5
274.66327	1.7
277.09766	1.6
278.10510	1.7
279.07736	2.6
279.11298	4.6
280.12009	1.2
281.09305	1.5
281.12842	0.9
283.10809	5.3
284.11572	1.0
285.12427	1.9
287.05447	0.8
287.13864	5.2
289.09659	1.4
291.11209	0.9
293.09378	1.6
293.12930	2.1
294.09888	2.5
295.10815	1.9
296.11670	1.5
297.12259	2.7
299.10214	1.5
299.13641	1.0
300.11252	0.8
306.09766	0.8
307.10742	1.3
308.11569	0.9
309.12253	1.4
311.10339	3.2
311.13971	1.4
312.10745	1.2
313.11951	1.7
314.12598	1.9
315.13367	0.8
323.10266	1.7
323.13940	0.9
324.11038	1.5
325.11902	2.9
326.12622	3.4
326.16177	0.6
327.13458	6.2
328.14362	1.0
330.16138	0.7
335.10223	3.4
337.11594	0.7
339.13397	27.2
340.10550	1.0
342.12363	1.8
343.13129	0.6
353.11484	0.9
354.12061	3.0
355.12872	7.1
356.13898	1.2
357.14386	5.3
358.15683	0.9
367.12885	13.4
370.15521	1.0
371.12210	0.9
371.16428	1.1
375.08469	0.6
382.11609	1.2
383.12927	0.7
384.13342	1.3
386.14728	0.9
387.15411	0.8
390.18433	0.8
398.15015	2.1
399.15704	7.1
404.15744	1.0
414.18127	0.6
415.31720	0.6
416.16119	2.7
433.33258	0.7
446.17166	2.0
447.17841	0.7
451.20914	1.0
458.17252	6.0
460.18805	0.9
478.19812	0.6
479.20462	1.7
488.18350	1.1
490.19684	2.2
492.21448	2.0
520.20764	9.0
552.23419	100.0
553.23663	3.3
569.24170	1.1
593.23810	1.8
611.25061	14.2
643.27869	3.5
675.36609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
54.94535	0.8
55.01866	4.5
55.05522	9.6
57.03440	6.8
59.05000	1.8
61.02920	3.9
67.05509	27.7
68.79871	0.9
69.06770	0.8
69.07076	8.7
69.46870	7.8
71.01351	0.9
71.04977	2.6
73.02919	1.4
79.05498	20.6
81.03421	7.3
81.07060	35.6
83.01349	3.7
83.04984	6.9
83.08636	10.6
85.02921	4.3
85.06519	1.4
91.03964	1.0
91.05477	14.0
93.07048	30.5
95.04962	5.1
95.08622	10.5
97.02888	3.1
97.06519	5.3
97.10146	1.9
98.21516	1.5
99.04424	1.8
99.08084	0.9
105.07039	6.9
107.04970	4.1
107.08598	17.0
109.06490	5.5
109.10165	1.1
111.04444	1.3
111.08057	3.7
117.07032	6.3
119.08584	4.0
119.37125	0.9
121.06483	2.7
121.10160	11.1
123.08085	4.5
123.11679	1.5
129.06984	1.1
131.08588	5.2
133.10143	4.4
135.08070	1.5
135.11696	9.4
145.10124	8.8
147.07983	1.1
149.13243	10.2
151.45512	0.9
153.12767	2.1
159.11650	4.5
163.11192	12.7
173.09572	1.1
177.12752	2.4
181.12245	1.4
191.10680	2.0
195.13867	5.3
209.11725	3.0
227.12865	2.1
251.16484	1.0
269.17487	46.7
283.15405	44.2
413.67770	0.9
459.27298	2.5
477.28500	100.0
478.28854	2.9
496.59454	1.0
555.32703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.2
57.03413	1.2
67.05502	3.9
71.61878	2.1
73.28992	1.3
79.05517	3.2
81.03420	4.0
81.07059	4.9
81.37377	1.6
85.02905	3.1
89.73577	1.5
91.05486	3.1
92.36843	1.3
93.05818	1.5
93.07052	5.9
94.06556	4.0
95.04961	2.6
95.07354	3.4
96.08143	10.1
97.02895	2.3
97.06583	2.2
99.73627	1.4
105.07034	2.2
107.08608	2.4
108.08128	10.3
109.10159	1.5
110.09699	16.0
115.43969	1.4
118.00929	1.3
120.08103	11.0
121.10201	2.0
122.06061	2.2
133.10155	2.9
136.07578	12.3
138.09154	19.8
148.07520	2.5
152.07092	2.2
164.07086	1.9
166.08658	19.0
185.04202	2.8
204.06677	1.6
220.10159	2.0
221.10655	1.9
222.11626	1.8
223.12424	3.8
225.10268	1.9
235.08740	4.6
235.12376	2.9
235.15540	1.4
236.09425	3.0
237.10249	14.1
238.11041	5.8
239.11868	4.8
241.13521	1.7
247.08832	4.1
248.09521	6.2
249.10188	17.1
250.10983	24.1
250.13167	2.0
251.11803	15.9
252.12628	3.0
261.10254	8.4
262.11035	7.0
263.11826	41.6
264.09030	4.0
264.12830	1.6
265.09793	6.2
265.13464	6.4
266.10107	1.5
267.11417	4.8
269.12543	2.2
277.09689	9.1
278.10556	1.9
279.11285	36.8
280.12051	1.8
281.12708	10.4
282.10080	6.1
282.13254	2.1
283.11014	2.0
283.14395	3.4
289.09799	5.6
291.11273	18.6
293.09363	2.0
293.12836	3.6
295.10892	7.6
295.14154	1.9
297.12500	2.9
305.09280	3.4
307.10779	17.6
309.12326	18.4
311.13977	3.1
319.10773	3.5
323.10287	3.9
323.14038	6.7
325.12003	4.6
325.49490	1.5
328.14148	3.4
335.10254	11.5
336.11087	4.2
337.11877	13.3
339.13669	2.0
342.16156	3.2
349.12036	2.4
349.66104	1.8
350.16980	1.7
355.12967	19.8
357.14474	15.0
367.12900	26.8
368.13602	11.2
369.14566	4.2
370.15659	4.0
384.17059	2.0
387.15564	3.5
400.16629	1.7
403.19052	6.2
432.19208	2.1
442.18411	1.6
459.27975	1.8
460.18970	3.4
460.27881	4.9
470.17059	2.1
472.18582	1.4
478.28683	2.2
488.18155	8.7
489.18973	3.2
490.19864	12.9
492.21719	3.3
502.19934	4.3
512.34430	2.8
513.34906	3.8
520.20831	100.0
521.21503	18.8
521.28613	2.5
522.22357	48.1
522.30127	2.5
523.22919	2.6
540.02771	1.5
552.23425	61.0
611.25433	4.2
643.28149	7.5
644.26569	1.5
674.39423	9.5
675.39886	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29375	0.4
52.41359	0.4
53.03940	1.4
55.01875	3.1
55.05509	8.2
57.03181	0.5
57.03440	7.2
57.07069	0.8
59.04988	1.4
61.02927	3.5
65.03918	0.8
67.05507	20.4
69.03422	1.3
69.07066	6.3
70.65128	1.0
70.65460	0.8
71.01340	0.7
71.05006	2.6
73.02911	0.9
79.05496	16.3
81.03419	5.9
81.07061	27.1
83.01339	3.5
83.04973	5.4
83.08626	8.6
85.02919	4.6
85.03389	0.7
85.06538	1.4
87.53536	0.5
88.64068	0.4
91.03966	1.2
91.05481	12.6
93.07050	23.2
95.04964	4.2
95.08612	7.8
97.02902	2.5
97.06522	4.7
97.10161	0.5
99.04431	0.8
99.08134	0.7
105.07044	6.0
107.04955	3.6
107.08595	12.6
109.02888	0.5
109.06496	2.4
109.10159	1.4
111.04448	1.4
111.08095	2.2
115.05479	0.5
117.07025	4.7
119.08570	4.7
121.06519	2.7
121.10148	6.0
123.08076	2.7
123.11709	1.5
125.05994	1.0
125.09605	0.6
129.06961	0.9
131.08562	4.4
133.10152	6.0
135.08040	1.2
135.11688	7.9
143.08583	0.5
145.04866	0.7
145.06462	0.5
145.10129	5.7
147.08038	1.1
149.02371	0.7
149.09660	0.6
149.13284	5.9
151.11240	0.8
153.09248	0.5
153.12703	1.3
159.11722	3.5
163.11183	10.7
173.09616	1.3
177.12746	1.5
181.12277	1.3
191.10677	1.6
195.13812	5.7
209.11745	3.4
213.14867	0.8
227.12778	1.9
251.16504	0.7
269.17487	32.4
270.17752	0.6
283.15405	39.8
284.15793	0.7
289.49796	0.5
327.11591	0.4
373.55768	0.5
403.92773	0.5
459.27316	0.9
477.28494	100.0
478.28885	2.9
674.35339	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	11.4
53.38612	1.6
53.65102	1.5
55.01867	5.9
55.05513	27.8
57.03430	7.5
57.07054	2.9
65.03937	6.8
67.05507	87.6
69.03067	2.9
69.03431	46.0
69.07069	24.5
69.33071	19.1
71.04980	8.6
73.02918	2.8
79.05049	3.9
79.05495	71.0
81.03419	29.3
81.07059	100.0
83.04977	13.7
83.08634	17.6
85.02912	4.1
85.06532	5.3
87.04451	2.0
89.06013	7.7
91.05483	61.6
93.07049	71.5
95.04969	20.7
95.08610	51.7
96.95575	1.9
97.02891	4.4
97.06532	11.1
97.10159	5.1
99.04420	2.3
99.08091	3.4
105.04522	3.6
105.06375	3.4
105.07036	48.0
107.04944	10.3
107.08600	48.2
109.02870	5.7
109.06515	6.8
109.10142	19.3
109.84721	1.8
111.04419	9.8
111.08078	6.4
115.05445	2.7
117.07018	22.5
117.08847	2.1
119.08579	33.3
121.06506	8.9
121.10142	23.6
123.08074	5.8
123.11691	7.7
125.09594	3.6
127.03890	2.1
128.06206	3.7
129.05496	3.3
129.07002	15.3
130.07707	2.5
131.08557	29.9
133.06461	5.0
133.08598	5.1
133.10138	27.3
135.08040	7.3
135.11707	15.8
137.09619	4.6
141.06996	5.4
142.07779	4.6
143.08575	12.3
145.06497	6.4
145.10130	22.1
147.08008	3.6
147.11674	16.4
149.09618	4.9
149.13266	16.4
151.11191	2.6
155.08556	6.7
157.06506	3.4
157.10182	11.5
159.08060	4.6
159.11700	20.7
161.09656	3.9
161.13274	6.8
163.11194	2.4
165.06961	2.3
165.12807	2.6
167.08517	2.4
169.10144	6.0
171.08014	4.2
171.11674	7.0
173.13251	7.2
175.11156	4.7
175.14868	3.5
177.11290	2.4
177.12682	4.5
181.10071	3.7
183.11682	5.2
185.09665	2.3
185.13234	6.7
187.11191	3.2
187.14792	5.8
189.12720	4.0
195.11787	4.4
195.13788	16.0
197.13303	2.9
199.14876	4.6
201.12790	3.2
201.27731	2.0
209.13300	2.2
211.14961	2.1
213.66095	2.2
215.14345	2.9
219.13712	2.0
233.15370	3.2
259.20578	4.1
261.22092	2.8
269.17529	22.0
275.16382	2.4
277.21597	4.0
283.20859	2.2
301.21646	8.0
303.23117	3.0
315.23312	3.0
317.24835	3.2
319.22629	4.2
327.23044	5.1
339.18149	3.2
339.22885	1.8
341.24597	2.6
343.22198	1.8
345.24164	2.5
351.23102	8.8
369.24274	15.9
375.25226	2.6
387.25439	9.5
405.26233	3.6
425.26788	2.5
443.27716	5.5
457.02463	2.4
461.28802	11.2
503.34454	2.0
529.38623	2.7
559.14551	2.2
625.40204	2.5
637.40179	6.8
655.41901	10.0
673.42993	46.8
689.76361	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	9.7
53.04150	1.8
53.79468	1.4
55.01859	6.6
55.05513	22.1
57.03449	7.8
57.07080	3.6
65.03937	4.5
67.05508	90.8
69.03436	39.1
69.07069	23.9
70.18863	6.3
71.01345	2.1
71.04993	8.6
79.05499	64.0
81.03422	28.1
81.07060	100.0
83.04988	12.7
83.08621	15.9
85.02930	7.1
85.06522	4.6
91.05485	63.0
93.07048	82.4
95.04968	19.2
95.08611	46.5
97.02887	6.9
97.06538	7.5
97.10174	3.5
99.04449	4.3
99.08085	2.8
103.05442	2.7
103.06538	1.5
105.04507	3.0
105.07039	48.8
107.04966	8.3
107.08607	43.0
109.02886	7.4
109.06531	9.9
109.10154	15.0
111.04480	7.3
111.08073	6.0
113.06025	1.9
113.09690	1.8
115.03956	1.4
115.05445	3.1
116.92165	1.4
117.07020	29.9
119.08582	28.1
121.06515	6.2
121.10156	27.2
123.04437	2.4
123.08066	4.9
123.11702	9.2
124.74908	1.4
125.09611	2.1
127.03898	4.1
128.06226	2.1
129.05479	2.1
129.07018	12.9
131.04929	3.4
131.08572	34.4
133.06493	5.9
133.10146	27.0
135.08064	5.3
135.11716	15.9
137.05899	2.7
137.09663	2.4
141.06995	4.8
142.07802	3.4
143.08545	13.9
144.09348	1.7
145.06480	5.8
145.10121	19.6
147.08047	6.4
147.11707	18.2
149.05965	1.9
149.09616	5.3
149.13248	17.5
151.11168	1.9
155.08543	6.1
156.09381	1.7
157.06447	3.0
157.10150	9.4
159.08057	5.9
159.11702	20.0
161.09631	3.6
161.13249	8.3
163.11099	2.7
163.14871	2.4
165.12769	3.8
167.08595	1.9
169.10135	7.1
171.08005	2.2
171.11694	5.9
173.09627	4.5
173.13237	7.8
175.11151	5.1
175.14851	2.4
177.12746	4.6
181.10109	3.3
183.11679	5.9
185.09637	2.9
185.13261	3.3
187.11172	4.2
187.14868	4.0
189.12738	4.1
193.12303	2.1
195.12036	2.4
195.13789	14.1
197.13232	4.7
199.11223	1.9
199.14786	5.2
201.12784	2.9
203.14291	3.6
209.13306	2.7
211.11063	2.4
211.14720	2.0
213.12840	1.8
213.14758	2.8
215.14253	2.1
217.12241	2.2
221.13329	3.1
223.14853	2.9
225.16342	1.9
233.15508	3.6
257.18881	1.7
259.20584	4.5
261.22128	3.5
267.15915	4.1
269.17453	22.6
273.22159	2.5
277.21686	5.5
292.80588	1.8
301.18335	1.9
301.21414	7.8
303.23148	2.7
319.22842	2.7
323.23557	2.6
327.23145	3.4
331.22760	1.7
335.25977	2.3
339.18234	2.6
339.22946	2.6
341.24677	3.2
345.24500	2.3
351.23260	6.5
369.24313	12.3
371.25989	2.4
375.25342	1.9
387.25183	8.0
395.20679	4.1
405.26196	2.8
443.28033	5.8
461.28983	10.5
529.38770	3.6
595.57477	1.6
637.40930	8.4
655.42157	9.9
673.43176	45.4
674.43469	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37051	0.8
55.01869	0.9
56.96552	1.0
57.03394	1.1
61.02919	1.2
67.05503	4.2
69.03425	1.7
69.07053	1.0
69.52914	6.6
72.08144	1.9
79.05491	2.0
81.03419	1.8
81.07051	3.6
82.17510	1.1
83.04978	1.1
83.08624	1.0
85.02888	2.1
86.09696	5.9
91.05461	3.1
93.07043	3.4
94.06534	1.8
95.04980	1.8
95.08582	2.0
96.08125	2.0
97.06533	1.4
98.21325	1.9
105.07027	4.3
106.06576	1.1
107.08581	1.6
108.08106	1.9
116.05010	1.9
117.07033	1.0
119.08569	2.5
119.14182	1.0
120.08098	7.1
121.10177	1.2
122.06056	5.2
124.07586	4.1
127.03940	1.1
131.08563	1.7
133.10109	1.7
135.11702	1.1
136.07558	3.0
138.09172	1.3
140.07057	1.4
144.04468	2.8
145.10143	1.0
146.05962	1.0
147.11757	0.8
149.09702	1.5
150.05498	2.6
152.07085	1.1
152.43916	0.8
157.13382	1.8
162.05574	1.4
166.08620	1.6
168.01558	0.9
168.06529	1.7
172.03926	15.1
172.07533	1.2
182.08192	1.0
185.10707	2.1
190.04967	6.1
198.09160	2.3
199.08661	1.5
201.10260	3.1
204.06584	22.5
212.10747	1.2
213.10229	3.7
215.11827	1.5
225.10272	2.9
227.08174	2.2
227.11745	1.4
228.12582	1.4
229.09657	2.1
239.11827	1.0
240.10051	1.1
241.09680	6.2
241.13336	3.4
242.10490	10.1
243.11276	4.0
244.12094	1.8
255.11296	2.4
256.12091	10.0
257.12878	8.3
258.11224	3.2
258.13620	1.3
275.20227	2.2
284.11578	7.3
285.12357	3.1
287.10342	1.4
289.15494	3.3
297.12363	1.4
302.12585	2.4
315.13162	1.2
317.14963	100.0
325.11816	10.2
343.13010	1.7
349.23792	1.1
357.14355	2.1
422.18887	1.8
476.18185	1.8
597.26776	2.6
609.23199	1.4
613.26788	1.5
641.25958	6.9
673.39319	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	672.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05521	3.8
56.22826	0.6
57.03442	4.1
57.07078	33.4
59.04976	0.8
59.64517	0.6
61.02931	11.1
67.05506	9.8
69.03438	1.7
69.07067	7.8
71.04988	1.0
71.08633	27.8
71.37046	0.6
73.02912	3.7
75.04484	1.7
75.11418	0.6
79.05481	1.2
81.03414	1.2
81.07062	13.6
83.08620	11.0
85.02911	12.3
85.10187	15.4
85.42924	0.7
89.06017	1.1
91.03961	9.4
91.05482	1.1
93.07055	1.3
95.08607	21.7
97.02892	7.7
97.10167	5.2
98.21494	1.4
99.04392	0.8
99.11739	1.0
103.07543	0.8
105.07051	0.8
107.08587	0.8
109.10159	10.0
111.11721	1.4
113.13287	0.9
123.11732	4.3
127.03909	4.0
137.13245	2.4
145.04971	5.6
145.59117	0.7
151.14758	1.1
163.06035	9.4
165.16293	0.8
184.07423	0.9
221.22578	1.4
229.02594	0.8
239.23694	24.2
257.24753	3.7
310.81390	0.7
313.27356	100.0
314.27841	1.5
331.28433	26.9
387.68600	0.7
388.27710	0.7
401.28317	0.9
442.14554	0.7
475.32574	2.0
560.37628	0.7
643.76770	0.7
668.64789	0.7
688.64429	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.05516	9.0
57.03439	4.9
57.06815	2.0
57.07080	31.4
61.02935	10.8
64.66010	1.2
65.03950	1.5
67.05510	19.1
68.05825	1.6
69.03432	3.0
69.07073	11.1
71.04992	2.1
71.08635	23.7
71.62194	1.8
73.02930	4.3
75.04488	1.9
79.05499	12.6
79.72381	1.0
80.05838	1.8
80.34216	1.3
81.03421	10.1
81.07061	26.8
82.07398	3.3
83.04991	2.1
83.08620	13.1
85.02907	16.9
85.10184	13.7
86.09702	1.6
89.06044	1.6
91.03963	11.4
91.05476	8.7
92.05794	2.5
93.07060	10.5
94.07384	2.3
95.04984	7.9
95.08613	27.4
96.08978	1.4
97.02901	9.8
97.06540	2.4
97.10154	5.7
105.07036	8.4
107.04982	2.9
107.08624	6.5
109.02860	1.3
109.06551	1.5
109.10158	12.3
111.04440	1.8
111.11809	1.7
117.07032	3.4
119.08593	4.0
121.10141	4.4
123.11691	4.2
125.09679	1.8
127.03916	5.2
129.07040	2.4
130.07323	1.4
131.08592	4.0
133.10170	4.9
135.11745	1.5
137.06129	1.2
137.13261	2.0
143.08490	1.4
143.29359	1.1
145.04955	6.0
145.06454	1.4
145.10124	2.5
147.04434	2.0
147.08032	2.1
147.11702	2.6
149.13312	1.4
151.07568	1.3
155.08566	1.3
157.10149	3.7
159.11729	2.7
161.06039	1.7
163.06027	11.2
167.08476	1.2
184.07402	1.8
239.23715	24.1
257.24716	2.5
264.32175	1.3
273.14871	1.5
276.91006	1.3
280.02585	1.3
302.14474	2.0
313.27371	100.0
314.27661	1.8
331.28448	33.3
335.25815	2.3
336.26349	1.4
636.39417	3.5
654.40338	5.0
672.41992	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	672.3955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80669	1.3
53.03947	1.6
55.01863	1.8
55.05509	6.7
57.03434	4.9
57.07290	1.6
65.03934	2.1
67.05505	26.7
67.62254	1.4
69.07067	9.1
69.62688	1.8
71.04992	3.3
71.62566	2.5
79.05495	27.0
81.03424	4.8
81.07057	33.6
83.04985	4.1
83.08611	6.8
85.02900	2.3
85.06544	1.6
88.13076	1.4
91.05489	21.4
93.07047	34.7
95.04964	7.4
95.08602	13.9
97.02881	1.8
97.06542	5.0
105.07026	15.1
107.04985	2.6
107.08592	13.9
109.06531	3.7
111.08128	2.6
117.07022	5.1
119.08589	9.0
121.06456	1.8
121.10148	7.0
129.06999	6.3
131.08591	3.4
133.10124	3.5
135.11707	3.0
143.08591	1.8
145.10104	2.8
147.11682	10.0
149.09618	1.9
149.13263	8.4
159.11711	3.5
161.09673	2.4
161.13222	3.3
171.11674	7.6
189.12772	2.6
191.07840	1.4
195.13838	3.6
207.13779	8.1
253.13098	2.5
269.17502	26.7
281.17487	22.9
301.20163	1.7
302.20288	1.5
475.30551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.27
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
53.90708	0.3
57.46437	0.3
64.44917	0.4
65.03930	0.9
69.03431	1.2
69.26643	3.3
81.03416	1.6
84.57160	0.4
85.02929	1.7
90.60935	0.3
91.04943	0.6
91.05482	7.6
93.07025	0.5
95.04964	0.6
97.02891	0.7
98.21511	0.8
100.92343	0.3
103.05494	0.7
104.58624	0.3
107.04960	0.8
109.02880	0.9
109.10144	0.4
113.06020	0.4
119.04955	18.2
121.06508	0.5
122.03642	0.7
123.04459	0.6
127.03901	0.5
128.06218	0.4
131.04942	1.2
131.08640	0.4
133.06499	1.2
135.08028	0.6
137.05989	12.5
144.05756	0.4
147.04417	100.0
148.04706	0.8
151.07558	1.0
153.01830	0.7
160.03497	0.4
161.05969	0.9
161.09650	0.4
163.07570	2.7
165.05475	4.9
165.09163	0.4
167.07043	0.4
175.07536	0.8
181.08641	0.4
187.07542	0.5
189.05260	7.6
189.09082	0.8
190.05959	0.5
219.10214	0.6
291.08688	1.3
295.13327	0.6
309.09644	4.4
327.16010	0.6
339.12317	0.5
351.16147	0.6
429.15271	0.8
444.17471	1.0
553.83514	0.4
671.26764	10.4
671.37244	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01866	2.5
55.05512	9.6
55.46880	1.9
57.03432	5.6
57.07083	2.0
63.95279	1.8
64.04622	1.8
67.05512	35.9
69.07058	9.2
69.50961	4.0
69.51369	12.5
72.06624	1.8
79.05495	33.8
80.12623	1.8
81.03417	4.1
81.07061	38.2
83.04984	6.5
83.08626	6.0
85.02882	3.8
85.06551	4.5
91.05482	23.4
93.07057	40.8
95.04980	8.0
95.08609	16.1
97.06537	4.6
97.10173	2.5
105.07054	19.2
107.08604	15.4
109.06567	2.9
109.10120	3.4
111.08050	2.5
117.07013	4.0
118.50896	1.9
119.08573	9.7
121.10168	8.7
123.08077	2.2
129.07011	7.1
131.08595	3.8
133.10136	5.7
135.11691	3.2
145.10139	3.7
147.11658	11.3
148.59227	2.0
149.13243	8.5
159.11687	3.8
161.13318	3.4
164.28326	1.9
171.11703	8.2
177.12843	2.5
189.12807	3.8
195.13776	5.4
207.13869	9.3
260.30649	1.9
269.17523	21.1
281.17508	22.8
336.60849	2.2
475.30621	100.0
476.30658	4.2
586.89838	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	671.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86756	1.1
55.05501	1.4
56.96565	1.9
57.09130	1.0
67.05509	2.1
69.07076	1.2
71.04985	1.2
71.61494	1.6
71.61861	1.4
79.05489	2.8
81.03415	1.9
81.07054	2.3
83.04967	1.2
85.02912	1.3
86.42640	1.1
91.05495	2.4
93.07053	2.8
95.08595	1.2
97.02885	1.2
97.10191	1.4
105.07061	2.6
107.04932	1.7
107.08589	1.5
117.07034	1.1
119.08580	1.3
121.10117	1.6
124.11222	2.0
127.03914	2.3
133.10143	1.4
135.19064	1.1
137.05968	1.7
147.04393	2.8
149.09663	1.1
153.01808	1.3
159.11688	1.0
161.09641	1.7
167.06978	1.6
181.04988	1.9
183.11559	0.9
191.10745	1.1
222.04465	2.1
240.05495	2.6
276.05295	1.4
287.05511	9.1
294.06659	1.3
303.04971	1.3
309.08997	1.1
323.07098	2.6
327.06680	1.2
327.10394	5.3
332.37769	1.2
333.05548	1.4
333.09418	1.4
335.07144	4.0
337.08624	1.9
339.10117	1.9
341.08096	3.0
345.11206	1.7
345.19757	1.1
347.06970	1.9
348.04114	1.3
351.06686	1.3
351.10294	6.9
353.08099	6.4
355.09882	2.5
363.06500	4.0
365.08163	3.2
367.09662	5.8
369.11331	6.6
371.09161	2.1
377.08524	10.4
379.09561	1.9
381.07660	2.4
383.09561	2.5
393.07416	9.0
395.09219	21.3
397.10742	4.2
407.09341	1.5
409.11316	9.5
411.08575	3.3
411.13135	1.5
413.10284	3.1
425.10147	2.8
427.12253	1.7
429.13458	1.6
433.96768	1.1
470.13785	1.9
476.15289	1.7
494.15939	2.4
498.13467	1.9
499.15128	7.1
500.15128	2.0
504.14401	1.9
516.14404	2.6
517.15918	3.7
518.16370	5.9
530.16113	2.0
531.17609	2.3
534.15240	1.4
536.64856	1.4
548.16895	9.3
549.17792	1.5
550.19000	2.5
566.18237	2.1
595.23132	7.7
627.24835	2.0
639.22040	100.0
640.22369	2.5
657.22595	3.8
671.24457	80.9
671.37054	8.1
672.25220	1.5
680.22729	1.7
689.25262	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	671.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53492	1.2
53.03936	1.1
55.05493	1.7
56.96566	2.9
62.08782	1.1
67.05491	2.8
69.03407	5.3
69.07049	3.5
71.04976	2.3
71.61361	1.2
79.05496	3.0
81.03403	3.3
81.07034	4.5
85.02892	2.5
91.05461	5.7
93.07015	3.0
95.04957	2.4
95.08568	1.6
97.02877	2.4
98.21517	1.3
98.97556	2.7
99.04404	2.3
103.05463	2.5
105.06982	2.9
107.04943	3.2
107.08555	2.9
109.02850	2.8
109.06531	1.9
109.10120	2.6
116.98576	1.5
119.04974	2.4
119.08526	3.4
121.10081	2.5
124.11209	2.4
127.03905	3.7
129.06955	1.9
131.04900	5.2
131.08578	2.6
133.10110	3.1
135.04382	3.1
135.08020	3.5
137.05923	4.7
137.09612	2.9
140.07011	1.6
143.08430	1.2
145.10136	2.0
147.04413	11.3
148.04712	3.2
151.07510	1.9
153.01831	10.6
159.08029	1.6
161.09595	2.2
161.46901	1.4
163.07535	1.5
165.09097	2.9
167.07042	2.8
171.02992	1.4
177.09077	2.3
181.04877	1.6
187.07573	1.5
205.08511	2.8
205.12036	2.0
217.38138	1.4
219.08061	1.4
227.05577	1.5
271.06018	11.9
287.05496	38.7
307.05045	1.6
327.10422	1.5
335.07047	1.8
351.10034	2.2
353.07593	1.5
355.81384	1.5
359.10266	1.4
369.11057	2.2
377.08701	3.9
385.23291	1.6
393.07642	2.2
395.08984	4.6
409.11444	8.1
438.19598	1.6
459.27164	2.8
480.81958	1.4
499.14804	3.4
517.16510	2.2
518.16113	3.1
531.17303	2.5
545.25366	4.1
548.17377	3.4
595.23297	3.4
639.22168	58.6
648.45581	1.7
671.24799	100.0
672.25360	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	669.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.1
69.03423	2.1
70.06590	1.8
71.61958	1.1
79.05531	0.8
81.03437	3.9
81.07079	1.0
85.02911	1.9
88.40684	0.7
91.05476	7.0
93.07029	1.2
95.04996	0.9
97.02906	1.3
103.05480	2.2
105.07030	2.0
107.04988	0.8
107.08620	1.1
109.02907	1.0
109.10123	0.9
111.04222	2.3
119.04947	13.9
121.06515	0.9
124.11212	1.5
127.03961	2.1
131.04953	3.4
133.10188	1.1
137.05983	9.2
145.06549	1.3
145.89694	0.8
147.04417	70.3
151.07545	2.5
153.01865	1.1
161.06056	1.1
161.13058	0.7
163.07597	6.5
165.05421	1.3
167.07103	1.6
175.07584	1.5
177.05496	2.6
177.09103	15.6
189.05238	96.5
189.08977	2.1
190.06007	10.2
205.04738	0.8
207.06425	1.6
219.10143	4.2
221.11766	1.0
228.06372	1.2
230.07898	1.0
245.08127	1.1
291.08649	1.2
309.09775	2.8
413.15945	1.6
429.15289	10.1
443.16440	0.9
444.17603	51.9
445.18338	3.2
507.35498	0.9
639.24176	3.1
657.19281	1.1
669.25189	100.0
670.25800	4.5
698.29785	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3302
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03944	0.6
55.01871	0.5
55.05520	1.2
57.03445	1.9
61.02935	3.8
67.05196	0.5
67.05511	3.7
69.03428	2.9
69.07064	1.2
70.65500	1.1
71.04993	0.8
73.02926	2.8
79.05503	3.7
81.03413	3.0
81.07058	2.6
81.58213	0.3
83.04987	1.1
83.08636	0.8
85.02910	5.3
85.06538	0.5
91.03962	2.4
91.05467	1.9
93.07053	4.0
95.04984	1.5
95.08612	0.9
97.02915	2.9
97.06533	1.1
97.10163	0.5
99.04482	0.8
101.02377	1.7
105.07047	1.4
107.04996	0.6
107.08614	2.4
109.02850	0.7
109.06516	0.4
109.10171	0.9
111.08115	0.5
117.07067	0.4
119.08595	1.4
121.10151	0.9
122.56454	0.4
123.11769	0.4
127.03908	1.5
129.07059	1.1
131.08591	0.6
133.10129	1.1
135.08101	0.5
135.11684	3.9
141.86020	0.3
143.08640	0.5
145.10109	1.0
147.11752	0.7
157.10162	0.7
163.11171	0.6
175.11246	0.5
181.12239	0.7
183.91042	0.3
185.04271	0.5
193.12283	1.1
210.55641	0.4
211.13084	0.4
219.13864	0.4
221.11566	1.1
243.08469	2.0
251.12578	1.0
255.16064	0.5
267.09442	0.4
271.06177	0.4
277.14249	0.6
327.84079	0.4
345.17865	0.4
439.19449	9.0
469.20468	3.8
469.26410	0.6
635.23669	0.6
667.33014	100.0
668.33197	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	667.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15043	0.7
56.96560	1.2
67.05502	1.1
69.03423	1.3
71.61661	1.3
79.05511	1.0
81.03447	0.8
81.07059	1.2
85.02905	0.9
93.07070	1.3
95.08624	1.2
103.05494	0.8
105.07045	1.2
107.08595	1.7
109.10172	1.3
119.08588	2.3
121.10120	1.0
122.06042	1.5
122.37783	0.9
133.10112	1.1
135.11737	1.2
137.05931	1.3
144.04205	0.8
145.04970	1.7
145.10121	0.9
147.08089	0.8
149.09662	0.9
159.11716	0.7
173.13257	1.0
184.72420	0.7
188.06937	3.6
192.48167	0.8
223.12257	1.0
235.12325	2.7
289.09293	2.1
291.92926	0.8
293.12796	1.7
296.07837	0.8
303.11053	2.1
304.12189	0.8
311.13712	11.2
315.10876	1.4
316.11893	1.1
326.11139	1.2
347.10092	2.2
348.10995	1.9
349.11502	2.2
353.08154	0.8
357.83792	0.8
359.10104	1.8
360.10751	4.6
361.11789	1.7
379.12631	1.9
382.18967	2.6
410.18579	1.2
424.20209	1.0
426.17990	1.3
438.18021	1.2
454.17258	2.0
468.18881	3.9
469.19434	1.8
472.18353	4.7
482.16962	1.2
485.18976	1.4
512.17633	1.9
513.18738	8.0
514.19415	2.2
591.25970	7.6
635.24786	100.0
636.25061	3.4
653.22882	0.9
667.27173	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	665.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64355	0.8
55.05508	2.6
62.28419	0.7
67.05518	4.9
69.03425	1.0
69.07069	3.0
70.78506	2.1
73.02913	0.9
79.05497	3.5
81.03410	1.0
81.07061	7.7
83.04972	3.2
83.08596	2.1
85.02900	1.3
89.03917	8.4
91.05479	5.2
93.06634	0.7
93.07058	7.0
95.04963	1.9
95.08618	11.1
97.06580	0.8
103.05433	0.9
105.07028	8.9
107.08609	11.7
109.06474	1.8
109.10161	5.3
111.08116	0.8
117.02595	1.5
117.03384	25.6
117.06989	2.1
119.08587	11.7
121.10171	7.9
123.11709	2.8
125.09628	2.1
128.06210	0.8
131.08580	4.8
133.10136	8.4
134.03648	1.9
135.08020	1.2
135.11705	4.1
143.08568	3.0
145.02855	57.6
145.10132	10.0
147.11671	4.3
149.05992	8.5
149.13287	2.3
157.10158	1.9
159.11700	6.3
161.13248	4.9
163.03931	1.6
163.14851	1.7
171.11650	1.6
173.13235	2.9
175.14880	4.0
177.05475	100.0
177.16388	2.7
178.05757	1.2
183.11684	1.0
185.13365	0.8
186.05551	1.8
187.14816	8.4
189.16382	7.1
191.14285	1.2
191.17973	2.9
195.06483	4.2
197.13246	0.8
199.14896	1.4
201.16397	8.9
203.18011	2.6
205.15887	1.4
213.16351	4.9
215.17975	4.3
217.15895	1.1
217.19513	1.7
219.17456	6.3
227.17889	1.0
233.19048	1.7
235.16934	4.0
247.16982	2.2
261.18597	1.3
267.21133	1.9
304.89746	0.8
325.94028	0.7
374.30508	0.9
389.32059	2.4
407.33109	11.0
435.32309	1.7
453.21005	3.5
453.33704	6.2
665.35028	24.8
666.34808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23843	1.4
53.03926	1.8
55.05498	3.7
57.03421	1.5
65.03918	1.6
67.05482	4.6
69.03403	4.9
69.07042	3.3
70.06560	2.8
71.05289	3.1
74.09676	2.0
77.29465	1.5
79.05457	4.3
81.03382	4.8
81.07024	6.5
85.02882	5.3
91.05492	7.5
93.07009	6.8
94.07353	1.6
95.04937	2.6
95.08561	5.9
97.02879	2.8
103.05428	2.6
105.07027	9.2
107.04920	2.5
107.08588	8.3
109.02854	2.5
109.06503	1.6
109.10111	6.3
111.08017	1.6
113.07451	1.6
117.03308	1.5
119.04907	1.6
119.08566	9.2
121.06503	1.7
121.10101	4.7
123.08047	1.8
126.08281	1.6
127.03873	5.4
131.04945	2.1
131.08548	4.0
133.06461	1.9
133.10074	6.0
135.04347	5.2
135.08003	3.3
135.11641	1.9
137.05952	4.8
139.07420	1.5
143.08495	2.0
145.02852	1.6
145.10036	5.5
146.10429	2.2
147.04349	7.1
147.11647	2.6
153.01776	3.4
157.10138	3.5
159.11595	4.5
161.09509	1.9
163.03909	16.9
163.14778	2.2
165.05431	2.0
165.09151	1.9
167.07040	1.9
173.13280	2.9
175.14810	3.2
178.24301	1.6
181.04944	2.3
185.13174	1.7
187.14784	4.8
188.06772	4.3
189.16386	3.3
197.24782	1.6
199.14746	1.7
201.16426	2.6
235.12206	5.2
271.06088	2.0
279.11227	2.3
289.09320	3.3
293.12488	2.3
303.10706	1.8
304.11627	2.0
307.10294	2.1
311.13379	4.5
316.11539	2.3
317.12521	3.3
348.10687	3.2
349.11340	6.5
360.10547	7.3
361.11453	3.2
382.18637	3.2
394.18790	1.9
396.16772	2.5
397.25562	2.2
405.31323	2.3
406.31839	3.8
410.18182	2.8
422.31042	2.1
434.30994	2.9
440.19879	2.0
451.31448	4.4
452.32068	5.6
454.17151	4.2
468.18552	5.8
469.19357	2.2
469.31967	1.9
472.18274	14.5
505.30475	3.2
512.16956	2.2
513.18561	13.1
514.19263	8.2
541.29645	2.3
545.21484	1.9
591.26141	13.5
623.27997	2.1
635.24762	100.0
636.24261	3.9
653.26184	1.6
667.26581	89.0
668.26929	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	665.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	3.5
66.22835	0.9
67.05511	5.6
69.07063	2.9
69.64443	5.9
73.79639	0.8
75.86874	0.9
77.03277	0.9
79.05484	3.5
81.07060	9.3
83.04961	3.0
83.08618	1.7
89.03914	8.6
91.05489	4.5
93.07056	9.0
95.08613	14.5
97.02916	1.1
97.06523	1.3
97.10165	1.0
98.20737	1.6
105.07039	10.2
107.08602	14.1
109.10155	6.8
111.08067	1.4
117.03384	19.4
117.06973	2.1
119.08588	15.6
121.10164	10.0
123.08041	1.4
123.11710	3.2
124.69921	0.8
125.09624	2.5
131.08566	5.8
133.10132	9.2
134.03622	1.9
135.04413	2.1
135.11708	4.9
139.07477	1.1
143.08557	2.7
145.02852	44.9
145.10117	10.9
147.11691	4.9
149.05994	7.3
149.13210	3.3
157.10114	3.3
159.11702	9.4
161.13251	4.3
163.14833	3.0
171.11705	2.1
173.13235	6.1
175.14835	3.3
177.05478	100.0
177.12816	1.1
177.16382	3.7
186.05482	2.6
187.14830	9.8
189.16374	9.2
191.14330	2.8
191.17958	3.2
195.06595	1.7
197.13284	1.0
199.14854	2.0
201.16409	13.0
203.14203	1.2
203.17953	3.2
205.15845	2.5
207.17390	1.0
213.16452	6.0
215.17941	6.9
217.15909	2.5
217.19530	2.2
219.17450	9.2
235.16899	5.1
241.19516	1.3
243.21146	1.2
247.16977	3.2
261.18539	1.7
267.21060	2.7
275.20221	1.2
389.31946	2.0
407.33148	14.1
409.34555	2.2
425.34375	0.9
435.32605	3.5
453.33636	11.1
665.34326	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	665.4051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01870	0.6
55.05502	2.5
57.01744	0.5
57.07069	0.9
62.07560	0.5
65.03944	0.8
67.05518	3.9
69.03404	0.8
69.07079	3.5
69.38171	2.6
69.38596	2.0
71.04969	0.6
79.05496	3.2
81.07061	8.6
83.04993	3.0
83.08614	2.3
89.03927	7.8
91.05477	5.3
93.07045	7.9
94.18283	0.5
95.04974	1.8
95.08609	13.8
97.02782	0.5
97.06550	0.9
97.10152	1.0
105.03482	0.5
105.07036	11.2
107.08604	13.5
109.06541	1.2
109.10170	8.5
111.04230	1.5
111.08108	1.4
117.03385	17.9
117.07030	2.0
119.08585	15.1
121.06530	0.7
121.10141	10.6
123.08055	1.0
123.11707	2.8
125.09650	2.2
127.03659	0.8
127.28886	0.5
129.06940	0.9
130.07832	0.6
131.08566	7.2
133.10138	12.1
133.11069	1.1
134.03583	1.1
134.35017	0.5
135.04442	0.9
135.11702	4.6
137.09615	0.7
143.08551	3.2
144.09328	1.1
145.02855	42.6
145.10139	11.3
147.08057	0.7
147.11705	6.9
149.05981	7.1
149.13214	3.0
151.07474	0.6
151.11147	1.8
157.10158	2.0
158.10884	0.7
159.11687	9.7
161.13274	4.7
163.11182	0.8
163.14847	2.6
169.10115	1.3
171.11716	2.6
173.13264	5.3
175.14861	5.3
177.05479	100.0
177.16356	2.8
178.05843	1.4
183.11598	0.7
185.13272	1.8
186.05475	1.8
187.14835	9.8
189.16411	9.2
191.14380	2.8
191.17981	3.5
195.06586	3.1
197.13246	1.1
199.14799	2.6
201.16391	13.1
203.17970	2.8
205.15898	3.0
207.17409	0.6
213.16379	6.2
215.17972	6.4
217.15953	2.1
217.19557	2.0
219.17479	10.3
227.17908	1.1
233.19067	2.3
235.16959	6.0
240.61771	0.6
241.19588	1.8
243.21130	1.5
247.16966	3.7
250.75826	0.7
255.21126	1.4
261.18460	2.1
267.21136	2.6
275.19928	0.8
378.88480	0.6
389.32230	1.8
407.33115	16.2
409.34540	1.3
435.32697	3.6
435.46976	0.6
443.34729	0.6
451.29623	0.6
453.33710	10.6
578.86298	0.7
635.78613	0.7
665.34210	10.1
665.44135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54222	0.5
55.05505	1.4
66.38338	0.6
67.05503	3.1
69.07069	2.1
69.63731	4.0
78.04680	0.6
79.05489	2.9
81.07053	7.4
82.54832	0.6
83.04961	2.3
83.08619	1.4
89.03920	8.6
91.05489	3.8
93.07049	6.6
95.04977	1.3
95.08035	1.0
95.08608	11.2
97.06589	0.6
97.10159	0.8
103.05422	0.8
105.07043	9.0
107.08597	9.7
109.06539	1.4
109.10166	7.9
111.08080	1.0
117.03384	17.4
117.07005	0.9
119.08576	13.0
119.09423	0.7
121.10146	8.7
123.11698	2.2
125.09619	2.0
129.07001	0.9
131.08560	4.3
133.10144	9.7
134.03653	1.2
135.04446	1.5
135.11662	3.5
137.09641	0.8
141.03865	0.6
141.37422	0.6
143.08517	3.0
145.02855	47.1
145.10126	9.7
146.03247	0.6
147.11696	5.1
149.02350	0.9
149.05971	6.9
149.13275	2.3
153.09070	0.7
157.10143	1.8
159.11676	7.6
161.13248	3.8
163.03920	1.2
163.11142	0.7
163.14824	2.4
171.11679	1.6
173.13278	4.6
175.14832	4.6
177.05475	100.0
177.16365	3.7
185.13237	1.5
186.05542	1.2
187.14847	12.1
189.14731	0.9
189.16386	7.0
191.14259	1.3
191.17961	2.6
193.04999	0.8
193.15710	0.8
195.06558	7.5
197.13274	1.0
199.14810	2.3
201.16397	9.6
203.14238	0.7
203.17917	3.8
205.15872	2.2
213.16386	3.9
215.17955	5.7
217.15623	1.2
219.17455	5.4
223.14355	0.8
225.16426	0.9
233.19008	1.4
235.16956	2.6
241.19333	0.8
247.16910	3.2
253.19449	0.6
255.21080	1.3
261.18494	2.5
267.21103	1.5
289.21451	0.6
293.22763	0.8
298.51285	0.7
299.19882	0.7
317.71817	0.6
389.31985	2.0
395.29181	0.9
399.20645	0.6
407.33105	11.3
409.35077	0.8
412.59369	0.6
425.33875	1.1
435.32343	2.2
438.03070	0.7
448.72015	0.7
453.33646	6.4
538.34930	0.9
665.34796	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3897
Annotation	Quadranoside V
Peak:m/z	Relative Intensity
53.03943	2.4
55.01869	1.1
55.05505	4.4
57.03437	1.4
57.07074	1.2
61.02924	2.2
65.03924	1.0
67.05512	6.1
68.84440	1.0
69.03423	4.3
69.07062	3.7
71.42476	0.9
79.05486	5.0
81.03420	3.2
81.07056	11.2
83.04972	2.9
83.08602	1.3
85.02908	10.1
85.06539	1.4
91.05466	6.6
93.07053	13.9
95.04963	3.5
95.08613	20.7
97.02889	5.6
97.06527	4.3
98.21467	2.4
99.04437	1.5
99.08115	1.3
105.07028	19.9
106.06455	1.1
107.08591	19.1
108.08160	1.3
109.02879	1.8
109.06485	2.2
109.10144	6.8
111.08080	1.2
115.05311	1.1
117.06996	2.4
119.04952	1.1
119.08582	23.4
121.06504	3.6
121.10142	13.3
122.06024	3.4
122.28940	1.0
123.08057	2.1
123.11713	2.4
125.09624	1.1
127.03902	2.7
128.06248	1.4
129.07045	2.2
131.08556	9.8
132.08086	1.6
133.06563	1.7
133.10136	19.5
134.09596	1.0
135.08012	4.8
135.11688	6.3
136.07559	2.3
137.05991	3.1
137.09618	1.4
138.05510	1.3
139.07585	1.3
140.07095	1.1
142.07753	1.4
143.08582	6.4
145.04948	2.3
145.10114	12.7
147.04393	3.1
147.08035	3.5
147.11684	11.1
148.07518	1.0
149.09610	2.9
149.13284	2.7
151.18599	1.1
153.01840	1.7
153.09131	1.8
154.04991	13.2
157.10133	10.9
158.06036	3.0
158.10892	1.6
159.08006	1.8
159.11681	13.3
160.07610	2.3
160.12540	1.0
161.09651	6.2
161.13251	5.1
162.09196	5.0
163.07481	1.7
163.11163	2.5
163.14859	1.9
167.06995	1.1
167.08392	1.3
169.10155	2.4
170.10857	2.3
171.08105	1.1
171.11649	6.0
172.07425	1.0
173.09616	4.0
173.13234	13.5
175.11238	3.5
175.14809	11.5
180.10208	3.0
181.10080	1.2
182.10904	1.7
183.11740	3.3
184.07346	1.1
185.09654	1.5
185.13222	9.7
187.11159	3.0
187.14815	11.2
189.12781	2.1
189.16385	7.9
191.14247	2.6
195.11681	2.0
196.12497	1.2
197.13258	6.9
199.11121	2.5
199.14804	4.9
201.12727	4.1
201.16415	1.7
203.14301	3.9
205.15962	1.3
207.11494	1.5
208.09659	11.8
209.13251	2.7
211.14841	2.8
213.12701	11.9
213.16338	2.3
215.14314	4.3
217.15761	2.2
218.08119	9.0
223.14900	2.6
225.16425	2.8
227.14262	2.2
227.17920	2.0
229.15894	2.6
229.19630	1.3
231.13797	8.2
233.15361	2.1
237.16277	1.6
239.18108	1.8
241.15836	1.4
241.19446	1.4
243.17535	1.3
246.07594	2.9
249.14714	1.8
250.10732	8.8
253.19585	1.2
261.16266	1.8
263.08133	1.3
263.18091	1.4
267.21329	1.3
275.10458	1.3
279.21060	1.8
283.20795	1.2
289.17807	1.2
293.08826	1.5
297.22247	1.9
299.13876	1.3
303.09821	2.1
311.23505	2.1
337.11896	2.0
338.08884	1.3
339.13339	1.8
340.13531	3.4
341.14645	4.4
353.11234	7.9
354.11981	1.7
355.12891	4.2
357.24127	4.6
359.27682	1.2
362.32712	1.1
368.13147	1.6
369.13837	2.0
373.17700	1.8
373.28824	1.7
383.25739	3.1
385.13834	3.9
385.29126	2.0
391.30252	2.0
403.30002	6.8
419.29343	1.4
421.31158	10.0
431.29449	3.5
437.30551	22.5
439.32297	1.8
449.30527	51.9
455.31619	2.5
467.31589	100.0
468.32254	1.9
476.17999	8.9
485.32626	79.3
486.32959	1.9
492.17563	2.7
494.18411	1.2
503.33707	16.3
508.20746	3.1
509.21130	1.6
510.20877	3.2
524.20239	3.7
542.22705	3.2
581.59973	1.1
615.24371	4.2
633.24939	1.9
665.29553	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3898
Annotation	Pinfaensin
Peak:m/z	Relative Intensity
53.03944	0.8
55.01849	0.5
55.05507	2.1
57.03413	0.6
61.02922	1.1
65.45472	0.5
67.05495	1.8
69.03424	1.4
69.07061	1.1
69.32787	2.3
69.33224	2.4
70.06582	0.6
71.05013	0.8
71.19975	0.5
71.49425	0.5
75.38094	0.5
76.08967	0.5
79.05490	1.7
81.03400	1.0
81.07050	3.5
83.04975	1.1
83.08623	0.9
85.02901	3.7
91.05470	3.0
93.07040	4.5
95.04979	1.1
95.08603	7.0
97.02916	1.3
97.06545	0.9
98.20744	0.8
99.04456	0.9
105.07033	9.5
107.08594	6.6
107.57487	0.4
109.06509	0.7
109.10158	2.3
111.08101	0.6
117.07037	0.8
119.08579	11.2
121.06538	1.6
121.10140	5.0
121.90811	0.5
123.08069	1.3
123.11695	0.9
125.06028	0.6
127.03923	1.2
129.07013	1.4
131.08578	4.2
133.10133	6.2
135.08066	1.2
135.11682	2.6
137.09627	0.8
140.95570	0.5
142.07788	0.6
143.08574	2.8
145.10138	5.9
147.11710	4.3
149.09618	1.8
149.13255	1.3
150.00365	0.6
153.09128	1.2
155.08557	0.9
156.09406	1.0
157.10155	4.5
159.08113	1.0
159.11711	5.0
161.09587	3.7
161.13281	2.9
163.07469	0.6
163.11176	1.3
163.14879	1.1
169.10161	1.2
170.10979	0.8
171.11720	2.7
173.09679	0.8
173.13286	6.4
175.11214	1.7
175.14857	4.6
177.16435	0.9
183.11697	1.8
185.13210	4.0
187.11208	1.1
187.14838	3.4
189.12766	1.7
189.16396	6.3
191.14296	1.0
191.18037	1.0
193.10052	0.5
197.13266	1.4
199.14879	2.9
201.12787	1.9
201.16496	1.3
201.36401	0.5
203.14330	1.9
205.16010	0.7
205.72270	0.7
209.13264	0.7
211.14839	0.9
213.12660	2.8
213.16441	1.0
215.14389	1.9
217.15860	3.2
223.14854	0.6
225.16252	0.8
227.18019	0.8
229.15979	0.7
231.13785	2.9
235.16870	0.6
241.19577	1.0
249.14914	0.7
253.19542	1.0
257.78860	0.6
267.15952	3.2
271.20621	0.7
279.17493	0.6
281.18896	0.5
403.29959	1.3
421.30966	1.5
435.99271	0.6
437.30560	2.1
439.32288	1.0
449.30469	3.6
457.33420	1.6
467.31601	7.4
471.72980	0.6
485.32852	4.2
503.33707	100.0
504.34052	2.8
676.06921	0.7
684.63013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.1
57.03437	1.4
61.02929	4.4
61.47481	0.3
67.05510	4.7
69.03441	2.4
69.07072	1.6
69.51503	2.6
71.05003	0.7
73.02911	2.9
73.34590	0.3
79.05484	2.8
81.03429	1.7
81.07062	6.0
83.05002	0.7
83.08630	1.6
85.02908	4.9
85.06590	0.4
87.04490	0.5
87.35693	0.3
91.03963	2.8
91.05479	2.2
93.07078	3.5
95.04964	0.5
95.08639	1.4
97.02909	4.0
97.06560	0.7
98.97917	0.3
99.04463	0.8
101.02397	1.3
105.07056	1.0
107.07931	0.5
107.08592	3.1
109.02895	1.0
109.06565	0.4
109.10234	0.4
111.08089	0.5
114.75578	0.3
117.07033	1.1
119.08621	0.4
121.10152	0.8
123.11711	0.5
127.03940	1.7
131.08612	0.9
133.10109	1.9
135.11725	1.1
149.13301	1.5
159.11763	1.4
185.04239	0.5
195.13884	1.1
203.05257	0.5
209.35660	0.4
224.90002	0.4
235.13132	1.2
243.08394	1.9
267.66318	0.4
269.17661	1.0
428.77545	0.3
453.21005	14.3
665.35114	100.0
666.35516	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
54.81190	1.0
55.01865	1.7
55.05504	3.9
57.03428	2.2
57.07081	1.1
60.48613	1.1
61.02927	1.7
67.05502	4.8
69.03442	7.4
69.07064	3.0
71.04987	1.5
71.61912	1.2
79.05491	5.7
81.03407	3.1
81.07053	9.6
83.08610	2.5
85.02898	10.5
85.06495	1.0
91.05473	10.4
93.07049	11.1
95.04951	1.8
95.08612	15.3
95.99056	1.0
97.02893	4.8
103.05516	1.1
105.07034	21.8
107.08602	17.6
109.02856	3.5
109.06514	3.5
109.10146	6.3
111.08097	1.2
115.05440	1.6
117.07001	4.0
119.04919	2.3
119.08578	29.4
121.06479	3.0
121.10144	13.6
122.05984	1.4
123.08060	2.6
123.11698	3.0
127.03912	2.4
129.06958	2.5
131.08568	20.2
133.06514	1.2
133.10139	14.7
135.08058	3.4
135.11713	6.7
137.05989	3.7
137.09602	1.5
142.07788	1.2
143.08580	9.0
144.09340	2.0
145.06499	1.3
145.10132	20.1
147.04384	5.1
147.08054	2.7
147.11674	10.2
149.09607	3.1
149.13242	4.1
151.07498	1.3
151.11253	1.7
153.01842	2.2
153.09117	2.1
154.04971	1.2
155.08557	1.9
156.09337	2.1
157.10129	11.8
158.10890	8.0
159.11716	12.0
161.09595	6.9
161.13246	6.8
163.03851	1.1
163.11211	1.6
163.14838	6.4
165.09111	1.5
167.07095	1.5
169.10081	3.8
170.10933	2.5
171.11667	8.1
173.09624	2.7
173.13278	37.2
175.11203	2.6
175.14841	12.7
177.12727	3.6
177.16402	1.2
177.28355	1.1
179.10614	1.1
181.10175	1.2
183.11711	3.4
185.09660	1.6
185.13264	11.6
187.11075	2.4
187.14848	8.6
189.12801	2.3
189.16397	13.5
191.14330	24.0
191.17862	1.2
195.11688	1.8
197.13289	3.3
199.11206	2.2
199.14812	10.6
201.12779	4.1
201.16411	4.1
203.14348	2.7
206.08122	3.8
209.13391	1.7
209.15346	19.4
211.11177	1.2
211.14819	3.3
213.12839	5.2
213.16447	2.6
215.14291	4.8
215.17982	1.6
217.15877	8.4
218.08112	1.2
221.13249	2.1
221.15430	1.3
223.14793	2.5
225.16386	1.8
227.17938	3.8
229.15843	1.5
229.19431	1.7
231.13805	30.7
231.17345	1.8
233.15375	3.1
235.17015	1.9
239.18083	1.1
241.15964	1.7
243.17476	1.5
245.15331	3.6
246.07564	1.7
247.16913	1.3
251.17818	1.6
253.19334	1.4
255.17317	2.4
257.19046	2.0
263.17929	1.4
266.10199	1.3
269.19052	1.9
273.18488	2.2
283.16867	1.2
287.10199	1.5
297.18451	1.6
325.21674	1.7
363.26840	1.4
385.28580	2.5
391.30130	1.6
403.29941	9.8
409.27332	3.7
421.31058	22.6
431.29236	2.8
437.30417	5.8
439.31793	3.9
445.13681	1.2
449.30493	15.5
455.31137	1.6
467.31586	100.0
468.31973	2.4
485.32614	95.3
486.32687	2.9
502.32288	2.4
503.32925	8.3
524.20026	4.8
647.38171	1.5
665.28802	1.7
665.39880	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	665.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62488	0.4
53.03944	0.8
55.05506	1.3
57.03428	1.1
60.22018	0.3
61.02927	4.1
67.05506	4.0
69.03442	2.2
69.07074	1.4
69.24740	1.3
69.25177	2.2
70.34102	0.3
71.05000	0.5
73.02921	3.0
76.14654	0.3
77.61968	0.4
79.05506	2.4
81.03423	1.5
81.07053	7.1
83.04977	0.4
83.08628	1.1
85.02917	3.8
91.03954	2.9
91.05477	2.0
93.07051	4.2
95.04964	0.6
95.08617	1.6
97.02891	3.9
97.06590	0.5
98.20764	0.7
99.04487	1.0
99.08086	0.4
101.02372	1.3
103.03941	0.6
105.07041	0.5
106.66737	0.4
107.08589	2.6
109.02877	0.6
109.10184	0.4
111.08086	0.6
117.07035	0.5
121.10168	1.3
127.03929	1.1
131.08644	0.6
133.10167	1.0
135.11703	1.0
145.99217	0.4
149.13268	2.7
159.11707	1.6
177.12770	0.6
180.38777	0.3
185.04195	0.6
195.13887	1.3
209.75676	0.4
212.93481	0.4
235.13100	1.4
243.08475	1.5
262.42108	0.4
269.17502	0.7
291.15613	0.4
453.20975	13.8
503.30167	0.4
642.93530	0.4
665.35089	100.0
666.35394	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	665.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05502	0.8
57.03417	1.0
60.73652	0.3
61.02926	3.8
67.05502	4.5
69.03426	2.1
69.07079	0.8
69.41596	3.3
70.06587	0.6
73.02923	2.5
79.05486	2.2
81.03400	1.9
81.07059	5.1
82.32378	0.4
83.04974	0.9
83.08621	1.1
85.02905	3.4
86.09755	0.4
87.04491	0.4
91.03967	2.8
91.05482	2.3
93.07037	3.7
95.04972	0.5
95.08632	1.9
97.02882	2.5
97.06548	1.0
99.04455	1.0
101.02377	1.2
101.47540	0.4
101.91605	0.3
103.03947	0.4
105.07028	1.5
107.08595	2.5
109.02880	0.9
109.06528	0.5
109.10143	0.5
117.06985	0.9
119.08595	0.7
121.10170	1.4
125.09579	0.4
127.03945	1.3
129.32964	0.3
131.08583	1.1
133.10120	1.5
135.08170	0.4
135.11763	1.1
149.13263	2.0
159.11691	1.0
177.12808	0.6
185.04253	0.7
193.04884	0.7
195.13860	1.4
203.05505	0.7
235.13049	2.1
243.08463	1.7
261.08786	0.4
269.17551	1.5
453.21002	15.4
503.29391	0.5
665.35059	100.0
666.34985	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	665.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91441	0.3
53.03936	0.4
54.93039	0.4
55.05493	0.6
56.96560	0.4
57.03430	1.4
59.96243	0.4
61.02930	3.5
66.23237	0.3
67.05202	0.5
67.05510	5.2
68.37563	0.3
68.46946	0.3
69.03431	2.0
69.07063	1.4
69.44225	2.5
69.44632	0.5
70.56670	0.3
71.04984	0.5
73.02924	2.4
79.05495	2.7
81.03406	1.1
81.07059	5.4
83.04977	0.8
83.08610	0.8
85.02897	3.4
91.03954	2.1
91.05480	1.3
93.07050	4.9
94.28603	0.3
95.04976	0.4
95.08633	2.1
96.43311	0.4
97.02901	3.6
97.06519	0.9
99.04431	0.7
101.02368	1.3
105.07042	0.8
107.01032	0.4
107.08582	2.9
109.02845	0.7
111.08070	0.7
117.07011	0.9
121.09360	0.4
121.10110	2.0
127.03913	1.4
131.08630	0.6
133.10191	0.9
135.08119	0.4
135.11697	0.9
149.13254	2.7
159.11720	1.2
177.05505	0.5
195.13821	0.8
235.13121	1.8
243.08484	1.8
269.17416	0.6
291.15659	0.5
295.50769	0.4
354.09982	0.4
370.22668	0.4
453.20956	14.4
503.30334	0.4
665.35077	100.0
666.35242	4.0
678.65356	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.282
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08377	1.7
52.34064	1.7
53.03952	3.4
56.96576	2.0
65.03942	2.0
67.05517	10.1
69.03426	4.1
69.07062	5.3
70.06604	1.8
71.04948	2.4
71.61412	2.4
79.05480	2.3
80.05005	4.2
81.03409	5.0
81.07047	6.1
85.02901	4.9
89.06018	2.2
91.05473	8.7
92.04979	1.9
93.06535	1.8
93.07039	12.2
94.06596	11.3
95.04987	4.8
95.08592	5.9
98.41728	1.9
105.07040	9.3
107.08571	5.2
108.04469	6.2
108.08094	4.7
109.02905	2.4
109.06534	2.8
109.10155	2.2
111.08093	4.7
111.61584	1.8
113.01648	2.1
117.06992	2.7
119.08614	8.7
121.06505	2.2
121.10172	3.8
122.06044	21.9
123.04374	2.5
123.08086	2.2
123.11760	2.0
126.51475	1.7
127.03893	5.8
130.06525	2.1
132.08110	5.1
133.10117	6.6
134.06038	3.5
134.09663	5.0
135.04399	2.8
136.03981	2.9
136.07585	10.0
137.05963	6.4
138.05493	14.2
140.07082	6.7
143.08577	2.9
144.08066	4.4
145.10133	4.9
146.06067	2.1
147.04399	8.3
148.07541	2.1
151.03909	1.9
152.10742	2.3
153.01840	4.7
154.05003	100.0
154.08655	6.2
155.03400	4.1
157.10129	2.4
158.06029	22.3
159.11659	3.3
160.07608	22.9
161.09630	4.7
162.09142	25.9
163.03918	5.0
163.07579	2.5
166.08635	4.7
167.07068	3.0
172.07632	4.9
173.13240	4.9
174.09146	4.5
175.14926	4.1
176.07153	3.0
178.08676	3.9
180.10205	17.9
185.13243	1.9
187.14807	3.2
189.10382	2.4
189.16336	2.9
190.05046	3.9
190.08607	6.9
192.10223	3.4
197.13380	2.3
199.14714	1.7
200.07091	5.0
202.08652	3.9
204.06606	3.9
204.10216	4.0
206.08141	2.6
207.11316	3.9
208.09711	64.7
215.08145	2.8
218.08133	79.0
219.08748	2.9
220.09721	7.0
223.14729	2.1
227.07991	2.8
229.09657	2.8
230.08148	3.5
232.09724	2.7
244.06123	4.6
246.07649	23.3
246.10007	3.0
250.10802	51.1
251.11644	3.0
257.09149	3.5
258.07648	4.1
263.07950	8.8
264.08685	8.1
265.09741	10.1
269.09204	2.2
275.10233	7.7
276.08749	4.3
279.11176	3.6
285.09143	2.7
285.12384	2.6
286.07120	5.8
287.10263	5.7
287.13654	3.5
288.08646	3.8
293.09167	12.1
293.11505	8.8
294.07196	2.4
294.10065	2.4
295.10760	3.4
297.12271	2.2
299.13931	7.4
301.11334	2.1
303.09793	11.3
304.10400	2.2
307.10791	5.0
310.09998	2.1
311.10284	5.6
312.08441	2.7
313.15408	3.2
318.09967	1.7
323.14178	3.7
325.11743	6.6
327.13422	2.4
329.11295	13.0
337.11874	9.1
338.08853	10.5
341.14835	12.1
353.11319	60.1
354.11993	6.8
355.12833	29.5
355.16623	5.9
357.10638	7.2
361.14035	4.6
365.71988	2.1
367.12799	3.8
369.14404	6.5
371.12228	2.8
373.17792	11.5
385.09329	2.8
385.14017	40.7
386.12241	5.7
389.13791	1.9
403.29852	2.2
409.13828	4.1
421.31213	3.1
426.16727	13.9
441.16443	5.8
449.30524	6.8
452.18274	4.0
458.18689	2.3
464.17868	2.2
467.31885	14.4
475.16837	1.9
476.11575	4.2
476.18213	79.7
477.17877	3.5
480.17914	2.2
485.32773	17.7
492.17725	10.9
493.17914	4.9
494.19235	14.4
495.17618	3.1
503.33548	5.4
508.21082	11.5
510.18701	6.9
511.19516	7.5
518.24121	1.9
524.20361	23.5
525.18561	4.1
542.21411	16.3
597.23462	2.4
615.24292	24.6
616.22656	2.4
633.25403	15.8
647.27942	1.9
665.34290	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	663.3896
Annotation	Yungensin E
Peak:m/z	Relative Intensity
53.03913	0.7
55.05514	1.3
60.55212	0.7
61.85215	0.8
65.79078	0.7
67.05505	4.9
69.03411	1.1
69.07053	2.1
69.86707	2.3
69.87123	1.7
79.05482	4.9
81.07059	8.9
83.04961	3.2
83.08617	1.0
89.03909	7.7
91.05463	4.7
93.07043	7.1
95.04964	2.0
95.08601	7.7
98.20705	0.8
99.08086	0.6
105.07040	8.8
107.05000	0.6
107.08593	10.4
109.06514	2.2
109.10147	4.6
111.08012	0.9
117.02588	1.4
117.03378	18.7
117.06985	1.7
119.08580	11.7
121.10136	6.0
123.08039	1.0
123.11703	1.8
125.09635	1.9
127.07514	1.0
129.07019	1.3
131.08578	5.6
133.10133	6.1
134.03632	1.2
135.04454	1.5
135.11693	2.8
137.09608	0.9
143.08588	4.3
145.02847	44.7
145.10106	9.0
147.04376	1.4
147.11707	3.5
149.05965	6.8
149.13303	1.4
151.11183	1.2
155.08542	1.1
156.09418	0.8
157.10150	3.6
158.05945	0.9
159.11676	7.3
161.09709	0.9
161.13249	3.1
163.03949	1.5
163.14815	1.3
165.12776	0.7
166.48979	0.6
169.10196	1.7
170.10843	0.7
171.11668	4.1
173.13261	4.8
175.14830	2.2
177.05472	100.0
177.16368	0.8
178.05731	0.9
183.11696	2.1
185.13226	6.4
186.05518	2.1
187.14804	7.3
189.16394	2.5
191.14345	1.7
193.15762	0.8
195.06570	8.9
195.11757	1.1
197.13219	1.5
199.14810	4.2
201.16359	5.9
203.14299	1.0
205.15901	1.7
209.13322	1.3
211.14845	2.3
213.16409	6.4
215.17996	1.8
219.15645	0.8
219.17360	3.5
225.16449	0.8
239.18054	0.9
241.19493	1.3
245.15326	0.9
253.19511	0.9
259.16971	1.0
265.19385	0.9
308.57645	0.7
387.30530	1.9
405.31546	8.5
407.33502	0.8
421.32019	0.8
433.31125	4.4
451.32178	5.0
553.16083	0.8
646.39508	0.8
663.31439	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60475	0.3
52.59571	0.3
53.03898	0.7
55.01812	0.7
55.05447	0.8
57.03373	0.6
61.02840	1.2
67.05426	1.1
69.03336	4.0
69.06982	1.2
71.04936	0.6
71.21701	0.6
73.02838	0.4
79.05426	0.8
81.03317	1.8
81.06960	2.9
83.04900	0.5
83.08539	0.5
85.02809	5.5
85.06456	0.6
87.04395	0.4
91.05375	1.5
93.06936	2.7
94.14109	0.4
95.04880	0.7
95.08503	3.6
97.02890	3.2
99.04390	0.4
105.07033	9.2
105.07668	0.6
105.94484	0.4
106.97524	0.3
107.08587	4.1
107.95766	0.4
109.02766	1.0
109.06464	0.8
109.10053	1.3
111.08013	0.6
117.06910	0.8
119.04852	0.5
119.08585	8.8
121.06446	0.9
121.10113	3.0
122.05943	0.5
123.07975	0.8
123.11605	0.6
124.11119	0.5
127.03804	1.3
129.06909	1.1
131.04794	0.5
131.08575	3.5
133.10149	4.7
135.07935	1.3
135.11572	1.3
137.05850	0.7
141.06888	0.4
142.07687	0.9
143.08551	3.1
144.09271	0.8
145.04825	0.5
145.10120	5.8
147.04326	0.5
147.07961	0.7
147.11681	2.4
149.13275	0.8
153.21484	0.4
155.08423	1.5
156.09334	3.9
157.10115	2.9
159.07944	1.0
159.11694	8.2
161.09583	1.8
161.13271	2.0
163.07379	0.5
163.11116	0.6
163.14694	1.1
167.08342	0.5
168.09402	0.5
169.10048	1.2
171.07977	0.8
171.11690	7.6
173.09532	1.0
173.13281	4.2
175.11101	0.6
175.13489	0.4
175.14815	5.5
177.12729	4.6
177.16301	0.9
179.08488	0.4
181.09985	0.9
183.11694	3.0
184.07280	0.4
185.09531	1.2
185.13239	2.2
187.11084	1.1
187.14816	2.2
189.08984	0.6
189.12723	2.6
189.16383	2.5
191.14140	0.5
192.52707	0.4
193.10045	0.4
195.11581	1.3
197.13156	1.7
199.11180	2.5
199.14694	1.4
201.05362	1.5
201.12636	1.5
201.16246	0.5
203.14233	0.8
204.06441	0.9
205.09506	0.4
207.11740	0.6
209.13298	0.8
210.32349	0.4
211.11201	2.6
211.14581	0.7
213.12675	1.2
213.16249	1.5
215.14313	2.4
215.17772	0.4
217.15793	1.1
219.13708	0.7
221.13112	0.7
223.14706	0.4
225.12494	0.5
225.16379	0.4
227.14200	1.0
227.17958	0.4
229.12138	1.6
231.17339	1.3
232.12390	0.4
237.10144	0.6
237.12589	0.5
245.15346	0.7
249.14674	1.8
250.03511	0.4
251.11671	0.7
251.17868	0.4
265.09720	0.8
271.06012	2.3
279.11301	0.9
302.83548	0.5
325.11615	1.0
327.13406	1.4
331.23761	0.4
339.13339	1.3
345.14224	0.5
347.23447	0.5
355.11725	0.8
363.15359	0.5
367.12628	0.8
370.24753	0.6
371.26382	0.5
378.37244	0.4
385.13916	1.1
389.28616	0.6
391.29974	0.5
399.15567	0.7
401.28214	1.0
419.29291	2.1
435.28723	1.0
437.30585	4.5
447.29016	1.2
455.31506	2.7
465.29980	1.8
483.31058	15.7
501.32108	100.0
502.32388	3.4
540.23468	4.8
541.23834	0.5
599.25067	0.7
631.27472	0.5
663.37476	28.9
664.38123	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3026
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07039	1.0
70.01404	4.0
75.32574	0.9
86.09669	1.1
87.28985	0.8
91.05422	1.0
100.04494	0.9
105.07023	1.3
122.06021	2.1
131.04939	1.8
136.07556	3.1
140.07024	2.6
146.09564	1.3
151.65359	0.9
154.07494	0.8
164.07057	2.7
168.79163	0.9
178.08713	0.9
179.10471	0.9
184.07317	3.2
191.42076	1.0
204.06558	3.4
206.08186	2.0
222.11470	3.6
234.11484	1.2
235.08528	1.3
235.12222	1.1
236.09320	3.7
236.12909	1.4
237.10245	3.0
238.10838	1.6
247.08667	2.9
248.09445	5.5
249.10243	16.4
250.10974	5.9
251.11786	7.2
261.10251	4.1
262.11133	6.2
263.11807	77.4
264.12521	8.3
265.09662	2.1
265.13327	6.3
267.11197	1.1
269.24408	0.9
275.08267	1.4
277.09720	17.9
278.10468	2.1
279.11292	31.1
280.11859	2.8
281.09842	1.2
281.12866	9.2
282.13669	6.4
283.14169	1.5
289.09674	3.4
290.10440	5.6
291.11285	30.1
292.12061	7.5
293.09448	1.7
293.12823	5.1
294.09918	1.5
295.10822	13.1
295.14160	1.7
296.11325	1.3
297.12241	1.7
303.07544	3.0
307.10803	8.0
308.11392	3.1
309.12344	52.7
310.13000	3.8
311.13721	3.0
318.10016	6.3
319.10779	2.3
323.13907	47.9
324.14545	3.0
325.11719	1.6
335.10242	3.4
336.11057	38.4
337.11826	18.8
338.12531	4.3
339.13156	1.8
341.14990	10.6
343.20471	1.0
345.14240	4.1
349.11536	1.0
351.13458	6.6
355.13113	1.1
356.13583	2.1
367.12912	31.2
368.13638	40.5
369.14456	100.0
370.15173	11.3
371.15927	2.0
399.15552	4.9
400.16238	1.2
401.17224	2.2
414.18378	1.1
458.17191	1.3
464.21655	1.1
476.18066	4.5
478.19754	15.3
490.19751	6.5
491.20682	5.0
508.20819	74.2
509.21130	3.5
510.22415	26.0
511.22131	1.5
522.21655	2.0
540.23450	60.6
541.23633	1.8
552.68359	1.0
572.03497	1.0
599.25043	7.4
613.26196	1.6
631.27673	9.1
648.22186	0.9
663.25293	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.43372	0.9
69.03416	1.4
70.85635	0.9
70.85975	2.3
81.07085	1.2
91.05533	1.2
105.07020	1.6
107.08581	1.4
121.10078	0.9
122.06085	1.8
125.82652	0.8
128.12083	0.8
137.05983	2.8
140.07047	2.3
146.06038	2.4
152.07034	3.1
153.01685	1.0
154.08583	1.3
167.06943	1.1
172.03970	2.1
174.05464	1.4
176.07042	1.6
177.16505	0.9
194.08076	3.5
204.06607	1.3
205.15845	1.3
225.10170	4.3
226.10997	1.4
237.10155	2.2
238.11052	1.0
239.11800	2.4
249.10229	1.2
251.11792	2.8
253.09778	8.8
259.13156	1.4
263.11932	2.8
265.09763	5.0
266.10504	3.6
267.11261	5.0
268.12045	1.0
269.12805	2.1
277.09628	2.7
279.11316	2.3
280.12091	2.3
281.12842	2.4
282.09967	3.4
283.10751	1.8
284.11484	1.7
285.12259	1.5
287.13925	3.5
291.11374	1.0
293.09229	17.9
293.12607	1.2
294.09979	19.0
295.10776	8.9
295.13828	1.5
297.12369	8.5
298.13232	1.1
299.13943	2.2
307.14352	2.1
308.11417	1.3
309.08719	1.8
309.12338	37.2
310.12943	1.7
311.10089	0.9
311.13840	1.4
312.11136	5.5
313.11783	6.2
323.13989	1.7
325.11823	3.3
326.12839	1.3
327.13467	17.2
330.15964	1.0
331.16473	1.3
335.10107	1.2
339.13516	9.6
340.14374	1.9
341.14951	2.0
342.12238	1.0
345.14374	1.9
351.13422	10.6
353.11353	2.7
354.12128	2.6
358.15295	1.6
367.13000	8.1
368.13724	2.1
369.14484	100.0
370.15048	2.7
384.13416	1.8
390.17847	1.0
398.14938	1.8
399.15680	4.9
400.16650	8.9
401.17093	37.3
417.16812	1.5
418.17673	2.1
440.16208	1.6
458.16925	6.2
459.18109	4.3
468.21332	2.8
490.19540	1.5
501.32144	3.2
508.20782	32.4
509.14658	1.8
509.21609	19.7
540.15930	1.3
540.23346	12.7
541.24384	5.1
555.25714	1.3
557.23755	1.5
581.23590	1.7
599.24976	31.5
631.27606	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.2
55.05495	25.3
56.07119	5.6
56.15138	6.2
57.03442	11.6
57.07058	22.1
57.80467	6.0
65.03949	8.6
67.05222	5.8
67.05507	84.5
68.34982	6.2
69.07066	30.7
70.07471	14.7
70.07883	14.8
79.05493	69.5
81.03507	5.6
81.07056	100.0
83.04973	7.0
83.08613	15.7
87.04459	67.8
91.05482	59.0
93.07048	84.1
95.04969	13.0
95.08617	56.5
97.06523	12.8
105.07006	36.4
107.08614	35.9
109.10161	20.1
111.08067	10.1
112.83570	6.4
117.07001	14.7
119.08556	23.3
121.06460	8.1
121.10167	31.6
123.11698	11.5
131.08563	10.0
133.10080	20.1
135.11679	19.2
136.31808	6.2
145.10091	15.1
147.11671	11.9
149.09605	9.2
149.13205	14.7
159.11652	20.4
161.13307	6.7
166.23180	5.8
171.11642	5.7
208.72690	6.2
234.86955	5.3
261.22070	10.1
269.17270	14.9
275.20050	18.6
335.25827	66.9
349.23526	11.5
515.37451	14.6
529.38965	55.7
662.45807	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	662.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48018	0.2
55.05513	0.5
56.05026	0.5
56.96560	0.3
57.03426	0.6
58.06629	0.4
60.08170	6.0
62.41885	0.2
67.05501	1.1
69.07062	0.5
71.07377	2.8
79.05473	0.7
81.03426	0.6
81.07076	1.2
83.04996	0.4
85.02898	0.6
85.06542	0.3
86.09708	32.5
87.96455	0.3
91.05475	1.0
91.84151	0.3
91.98386	0.3
93.07045	0.8
95.04968	0.5
95.08627	0.7
97.02920	0.5
98.98473	3.3
104.10738	2.3
105.07040	1.0
107.04971	0.3
107.08582	0.6
108.12822	0.3
109.02902	0.3
109.10142	0.5
119.08584	0.6
119.94852	0.3
120.03178	0.2
125.00008	20.3
127.03968	0.3
129.06908	0.3
131.08495	0.3
133.10136	0.6
136.07486	0.3
148.07524	0.6
153.01752	0.3
161.09639	0.3
171.11649	0.3
184.07346	100.0
185.07603	0.6
200.49713	0.2
228.10094	0.3
253.09608	0.3
255.15967	0.3
257.16492	0.3
268.11389	0.3
284.14719	0.4
287.05621	0.3
302.15842	0.3
313.11850	0.4
373.13681	0.5
374.14261	0.6
447.27362	0.4
465.28290	0.9
630.25531	0.4
662.36731	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	662.3748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.8
55.01864	2.9
55.05514	11.9
57.03441	18.2
60.08172	6.0
61.02932	2.9
64.41698	1.2
67.05507	45.0
69.03419	3.7
69.06763	1.3
69.07072	12.9
69.24536	12.3
71.01344	3.3
71.04977	5.2
71.07365	2.7
79.05494	42.2
81.03421	43.8
81.07057	29.5
83.04978	17.7
83.08623	17.5
85.02910	16.4
85.06538	4.3
86.09209	1.6
86.09711	30.5
91.03945	1.7
91.05482	28.8
93.07049	45.8
95.04973	22.1
95.08617	9.1
97.02895	3.9
97.06528	11.0
97.10180	8.7
98.21555	1.9
98.98451	3.2
99.08086	1.8
104.10722	1.7
105.07040	17.5
107.04958	6.9
107.08602	25.5
109.06516	2.8
109.10156	6.3
111.04411	1.7
111.08083	7.2
117.07000	4.7
118.99157	1.3
119.08588	16.3
121.10143	10.8
123.08036	2.1
123.11659	1.4
125.00002	20.9
125.09654	2.6
129.07024	9.0
131.08580	7.9
133.06517	1.7
133.10126	13.4
135.11702	42.2
137.09601	2.6
142.07788	1.9
145.10123	9.1
147.08020	2.1
147.11684	7.4
149.09630	4.3
149.23480	1.3
153.12750	2.1
157.10156	8.8
163.11201	7.5
165.12711	2.2
175.11180	10.8
181.12216	10.7
184.07355	84.7
193.12254	27.4
199.13232	1.6
211.13316	38.2
236.16087	1.6
249.14952	1.9
255.15933	100.0
267.15952	19.4
274.29053	1.3
285.13980	2.0
285.16971	28.0
287.13480	1.2
359.67285	1.2
374.30215	1.2
421.25336	1.4
447.27438	37.8
448.27609	1.9
449.13895	1.5
465.28516	95.9
466.28360	2.0
611.24402	1.6
662.30878	18.1
663.24103	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	662.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01887	1.6
60.64915	0.4
65.03949	6.9
66.22245	0.5
69.03445	1.9
70.94514	0.5
71.61091	0.6
80.91759	0.5
81.03419	2.9
85.02908	5.4
93.03411	9.1
97.02908	2.4
109.02880	1.8
111.04449	26.0
124.11207	0.9
127.03928	1.9
137.02353	100.0
138.02719	1.0
139.03911	57.8
145.04967	1.0
153.01843	1.5
155.03401	79.1
162.07614	1.0
167.03412	70.9
180.08653	1.1
201.00642	0.8
245.88516	0.5
281.06497	1.0
282.88315	0.5
299.07526	1.2
321.05957	1.0
647.56891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19280	1.2
53.03939	2.0
55.05505	1.9
67.05484	2.1
69.03432	3.9
69.07061	3.0
69.52830	6.4
69.53246	3.7
70.06594	1.6
79.05486	4.9
81.03447	1.7
81.07039	2.0
85.02915	2.7
86.09722	3.8
91.05466	4.8
91.96747	1.6
93.07034	3.0
94.06577	6.7
95.04964	3.6
95.08600	3.8
96.08134	2.3
96.35564	1.5
97.02872	2.7
99.04454	2.5
105.07053	5.0
106.06557	5.5
107.08588	2.0
108.08157	7.9
110.09698	3.2
116.05027	1.5
119.08626	1.6
120.04436	1.6
120.08109	5.1
121.02848	3.9
122.06039	6.0
122.09673	1.8
124.07533	1.7
124.11142	1.6
124.99958	1.6
127.00214	1.4
127.03926	5.3
132.08101	2.9
133.10150	3.7
134.06013	14.5
136.07591	14.2
137.05966	2.3
138.09149	5.5
145.10170	1.8
146.05984	7.2
147.04393	3.1
148.07571	8.1
150.05537	2.1
150.09149	3.5
151.03934	3.1
152.07074	12.4
153.01831	3.1
159.11690	1.7
162.05495	7.6
164.07056	9.4
165.09155	2.2
166.08629	13.2
167.07047	3.5
172.03952	9.3
172.07637	1.7
174.05446	1.8
174.09164	2.6
177.05531	2.3
181.04996	3.4
184.07370	8.1
190.04993	5.0
191.07022	2.0
192.10170	4.5
194.08223	2.8
197.10777	1.6
198.11482	1.7
204.06577	10.8
209.10670	2.9
210.11523	2.7
211.08632	1.8
211.12262	4.3
212.13005	1.5
213.10313	3.5
218.08063	1.6
220.09801	2.3
221.10840	2.0
222.07861	1.6
223.08606	2.1
223.12328	2.0
224.13072	1.6
225.10158	8.0
226.11015	3.7
227.11761	2.5
228.09314	1.4
236.09300	2.5
237.10240	9.9
238.11050	4.8
239.11781	6.6
241.09702	3.3
241.13249	1.7
246.07428	1.6
249.10213	9.0
250.11009	5.1
251.08089	3.8
251.11847	11.1
252.12665	2.2
253.09714	2.1
253.13354	5.0
255.11418	2.7
256.12131	3.8
263.11801	6.4
264.09000	3.0
264.12567	1.7
265.09747	14.5
265.13297	3.9
266.10394	4.4
267.11313	10.7
268.12131	1.8
269.08670	1.7
269.12784	5.0
271.10883	2.7
271.14423	5.3
275.11957	1.5
277.09641	4.2
278.10553	9.9
279.07718	7.9
279.11304	25.2
280.12024	4.8
281.12817	4.8
283.10751	3.4
283.14236	1.7
284.11673	7.1
285.12329	18.7
286.12668	2.2
287.05490	5.9
287.10217	3.2
287.13892	4.5
291.11267	5.5
293.09256	7.2
293.12848	15.3
294.09973	2.0
295.10730	3.8
296.11630	3.5
297.12332	24.3
298.13019	2.6
299.14169	2.9
305.08936	1.8
307.10571	4.7
309.12360	9.5
310.13275	2.2
311.10245	8.2
311.13715	3.1
313.11823	4.1
319.10733	4.2
321.09036	2.0
321.12415	4.8
323.10306	10.8
323.13733	2.9
325.11804	10.9
326.12796	2.1
327.13437	4.7
328.14255	3.3
337.11792	20.0
339.09793	2.7
339.13400	34.6
341.11340	5.1
341.15070	1.5
351.09827	3.5
352.10440	1.6
353.11215	5.1
353.15097	3.2
354.12515	1.9
355.12347	1.5
356.13879	2.4
357.14481	3.0
358.15131	2.2
366.12140	4.8
367.12863	4.9
369.14435	2.6
370.15366	3.0
371.16010	2.8
372.17038	1.8
374.18893	2.0
384.13135	2.2
386.14914	1.8
388.16470	3.0
398.14719	3.3
399.15549	100.0
400.16248	5.5
416.15930	2.1
417.16278	1.4
418.17642	2.7
420.19095	4.0
430.17722	9.0
442.17743	3.4
444.19464	2.0
446.17004	3.1
447.18073	11.8
448.18732	20.0
458.17206	2.8
460.13358	1.8
460.18832	15.7
461.18808	1.9
465.19406	2.3
472.18600	2.9
474.16672	4.8
475.17136	4.4
476.17947	5.6
478.19833	1.6
481.29666	1.6
488.18173	38.7
489.18958	12.1
490.19650	8.8
494.19257	2.1
499.19626	1.7
506.19562	7.6
508.21014	2.9
520.20746	9.7
521.21442	2.4
538.21906	22.6
539.22540	5.9
583.25348	4.6
585.34491	1.7
593.23413	9.0
611.24976	40.3
629.26306	7.2
643.27960	7.3
661.24628	3.5
661.37299	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	661.2868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.0
53.87926	1.8
55.05519	2.5
55.74421	1.8
67.05484	2.8
68.18391	1.9
70.85541	3.4
79.05515	4.4
81.03445	3.8
81.07046	3.5
91.05448	4.3
93.07037	7.7
94.06579	11.1
95.07342	6.2
95.08582	2.6
96.08130	21.0
97.02874	2.4
103.05474	4.8
105.07027	4.5
106.06550	2.3
108.08115	15.5
110.09689	28.8
116.05019	3.7
120.04474	4.8
120.08101	19.2
122.06017	5.7
122.09599	2.0
124.07618	9.7
127.03934	5.2
133.06497	2.6
134.06017	4.4
136.07535	11.2
137.06006	4.8
138.05508	6.4
138.09143	38.7
144.04483	9.7
146.06021	5.2
148.07564	6.4
150.09201	2.8
153.01866	3.0
160.03923	2.8
161.09648	2.2
162.05486	6.5
165.08989	2.6
166.04985	3.6
166.08644	60.3
172.03934	48.9
174.05521	2.5
181.04973	4.5
184.07344	2.1
190.04967	18.3
204.06572	67.0
211.08855	2.4
212.09335	4.5
223.08665	2.6
223.12399	2.6
224.09436	3.5
225.10217	7.6
227.11803	7.0
236.09418	3.7
237.10181	9.5
238.10898	4.0
239.11659	5.1
241.09827	3.3
245.12874	3.3
249.10136	2.4
251.11749	11.7
253.09673	7.5
255.11295	2.4
257.12909	2.4
265.09811	18.1
266.10648	2.7
267.11319	3.9
269.12854	3.6
271.10779	7.6
273.12369	7.7
278.06631	4.0
279.11322	12.6
280.08331	2.7
281.09293	3.1
281.13007	2.8
283.10828	4.8
285.12289	5.0
287.13852	7.4
292.08145	2.4
293.09186	14.0
294.10001	3.7
297.12381	9.6
299.10229	4.4
299.13589	2.7
301.71301	2.2
309.12473	3.3
311.10187	3.2
313.11801	7.1
325.11826	21.7
327.13229	3.6
335.10287	7.0
341.11276	22.2
353.11392	15.3
357.14462	23.8
373.14157	6.0
385.14029	6.7
398.15112	3.9
399.15567	5.6
416.15781	2.9
422.53287	2.3
446.16867	4.9
458.16882	11.5
460.18576	5.7
465.18842	4.9
478.19577	10.9
488.18307	14.5
490.19485	3.1
506.19287	100.0
507.19989	3.0
510.22232	3.9
520.20709	8.5
538.22009	14.1
593.23279	2.7
611.24945	27.4
629.25342	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	661.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87749	2.6
65.71294	3.3
67.05526	3.1
69.39986	25.1
79.05477	5.4
80.05016	2.6
81.07055	4.4
82.06581	2.5
87.67962	3.2
88.53630	2.5
91.05462	5.6
93.07038	10.1
94.06534	11.9
95.07347	10.6
96.08130	20.7
97.06519	3.2
98.20757	6.7
105.07028	5.2
108.08112	24.1
110.09690	38.5
112.70360	3.1
120.08117	23.2
122.05988	4.3
124.07584	6.9
127.03864	2.8
135.50165	2.6
136.07582	32.6
138.09148	61.3
148.07556	7.8
152.07025	3.8
153.01871	3.0
164.07085	5.2
166.08633	47.2
172.03925	4.6
184.07339	3.8
190.04962	3.8
196.09869	3.0
204.06633	3.8
209.10707	7.8
210.11391	7.6
211.12221	15.1
220.09880	3.5
221.10715	6.5
222.11562	13.6
223.12334	20.0
224.09590	3.4
224.13185	4.7
225.10271	4.6
225.13867	9.1
227.11789	4.1
235.08696	7.5
235.12247	9.6
235.99879	3.2
236.09398	6.7
236.13127	4.7
237.10277	21.3
237.13853	16.4
238.10963	11.7
239.11777	12.5
243.11258	3.7
245.12405	3.5
247.08578	8.3
248.09444	10.4
249.10228	36.4
250.10959	41.4
251.11821	39.9
252.12560	8.0
253.09717	4.4
253.13289	4.9
255.11264	6.8
261.10376	13.3
262.10922	9.4
263.08142	3.3
263.08688	4.2
263.11798	57.0
264.12570	6.2
265.09732	11.3
265.13351	31.6
267.11313	14.2
269.12830	12.2
270.13596	17.9
271.14169	3.8
277.09772	9.6
279.11310	56.5
281.12830	13.2
282.09903	7.9
282.13345	4.7
283.14435	5.2
285.12143	6.4
289.09836	6.3
291.11261	20.1
292.12143	3.8
293.09543	4.6
293.12860	11.4
295.10733	37.3
296.11584	6.3
297.12366	39.3
298.13055	17.7
299.13947	5.4
307.10675	14.7
309.12341	58.6
310.13065	23.7
311.10486	3.9
311.13803	21.5
313.11829	5.7
319.10876	4.6
323.10367	5.7
323.13873	6.4
325.11749	10.2
325.15323	4.8
328.14072	9.5
329.15024	19.5
335.10324	13.9
336.11005	5.7
337.11835	26.3
339.09573	5.2
339.13293	5.5
341.11270	7.9
341.15192	4.9
353.11240	5.9
354.12033	5.0
355.12854	23.0
357.14590	18.1
367.12851	32.0
368.13647	4.0
369.14456	9.5
373.13913	8.8
375.15268	4.0
402.18076	4.7
403.19089	6.7
414.18307	3.4
420.19348	7.0
430.17578	3.8
432.19241	59.1
435.21426	7.5
436.22400	4.5
444.19006	4.5
450.23480	3.2
460.18854	6.5
462.20383	23.5
463.21075	99.8
464.21872	20.6
471.65317	3.0
488.17938	7.4
489.18814	5.3
490.19785	15.6
492.21674	4.7
494.22980	51.5
495.23480	6.2
506.19223	23.9
507.19711	7.0
508.20520	9.8
520.20807	100.0
521.21313	8.5
522.22290	63.6
538.21796	62.4
561.06555	3.0
585.27203	27.1
611.25104	8.1
617.29376	6.8
629.25580	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	661.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08566	0.7
52.43402	0.7
53.03944	0.8
53.17049	0.6
57.03450	0.6
57.40627	0.7
58.15699	0.6
65.03941	1.0
67.05484	2.5
69.07065	1.4
71.60915	0.8
79.05491	4.9
80.05006	1.1
81.03416	1.3
81.05784	0.7
81.07058	3.9
82.06551	0.9
83.08598	0.7
91.05492	3.4
93.05780	2.7
93.07050	5.4
94.06567	5.0
95.07356	3.6
95.08590	1.7
96.08135	11.5
97.06518	1.5
103.05456	1.1
105.07017	0.8
106.06552	1.1
107.08593	1.3
108.08127	26.2
109.10133	0.7
110.09692	17.5
112.45922	0.6
116.04987	1.4
118.06547	2.4
120.08107	13.1
121.06498	0.6
121.10154	0.8
122.06051	2.3
124.07608	8.2
133.10181	1.0
134.06032	2.1
135.11736	0.9
136.07585	45.3
138.09145	21.9
144.04448	2.8
145.18469	0.6
146.06012	14.6
148.07600	7.0
149.13255	1.0
152.07080	2.8
160.03957	1.5
162.05498	2.2
164.07077	6.0
166.08647	59.1
172.03952	22.1
174.05478	3.2
178.04956	0.8
178.08598	4.8
183.09245	0.7
190.05000	47.8
192.06558	14.4
192.08286	0.6
197.10722	1.2
199.12265	1.2
204.06580	21.5
206.08110	6.8
210.07549	0.8
210.11366	0.9
211.08775	0.7
217.86417	0.8
222.07600	11.8
223.08603	0.8
223.12341	1.3
224.09138	1.1
225.10271	2.4
225.13826	1.4
227.11737	4.2
234.09248	1.2
237.10309	1.5
238.11049	1.3
241.09732	2.8
250.10773	1.7
251.11763	3.3
252.12543	0.8
253.13370	2.4
255.11389	1.3
269.12869	2.0
269.17496	2.6
279.11328	3.0
281.12946	1.3
283.10928	1.0
287.13882	15.0
297.12430	2.3
299.13974	1.9
303.17099	1.7
307.10873	1.1
311.13864	3.5
315.13345	2.9
321.12323	0.6
323.10428	1.1
325.11856	1.2
329.14993	3.3
331.16528	9.4
338.01086	0.6
339.13504	2.2
343.12808	8.1
347.16049	2.3
357.14511	7.8
371.16022	10.8
375.15521	100.0
376.15826	1.4
388.11996	0.7
404.15961	0.6
416.16089	1.0
452.21469	0.8
456.06064	0.7
463.30573	2.2
464.21640	0.8
464.30859	4.2
478.19818	1.7
508.21082	1.7
643.27692	1.0
661.14557	1.5
661.32135	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	660.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05299	0.7
55.05519	8.4
57.03443	1.1
57.07073	1.4
60.31967	0.7
65.03927	0.6
67.05509	43.6
69.07074	13.2
71.04989	4.8
71.08633	1.0
79.05048	0.8
79.05499	11.6
81.07063	54.4
83.08620	6.0
83.77555	0.6
85.06551	5.5
89.06037	1.9
90.16129	0.6
91.05482	6.9
93.07055	10.4
95.08614	47.2
97.06520	2.2
97.10155	1.9
98.98540	0.8
99.08083	2.1
99.53690	0.7
105.07047	7.6
107.08613	5.4
109.10164	5.5
111.03767	0.5
119.08588	5.5
121.10177	5.1
123.11710	4.0
125.09589	0.7
133.08597	1.6
133.10121	3.4
134.00116	0.7
135.11705	1.8
137.13300	2.5
145.10124	0.9
147.11703	5.6
149.13295	1.3
161.13231	1.2
165.12767	2.9
175.14771	0.7
183.13860	1.1
208.16992	6.5
226.18039	5.9
257.17615	2.3
263.23740	2.7
306.14737	2.3
306.27881	1.0
337.27435	1.9
337.84158	0.7
362.17233	1.7
380.18289	3.6
476.60172	0.7
519.40491	100.0
520.40759	2.0
642.41199	8.7
660.43774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62870	0.5
52.04988	0.5
53.03945	1.5
54.91865	0.6
55.01875	0.9
55.05515	6.8
57.03220	0.7
57.03440	8.0
57.07070	1.2
59.85802	0.6
61.02927	7.4
65.03943	1.0
67.05505	35.5
69.03420	2.6
69.07069	9.7
70.84513	1.7
71.04981	2.7
71.08617	0.6
73.02917	2.4
79.05496	19.6
80.05854	0.8
81.03431	2.6
81.07059	46.8
82.07369	1.0
83.04992	2.9
83.08624	9.9
85.02901	7.1
85.06536	1.7
91.03950	2.6
91.05478	11.2
93.07047	29.4
95.04966	2.1
95.08599	10.5
97.02893	4.6
97.06528	7.6
97.10169	1.5
98.03203	0.8
99.04428	1.1
99.08073	1.8
101.02370	0.9
105.07031	4.1
107.04935	0.8
107.08598	18.8
109.02831	0.8
109.06507	1.5
109.10159	2.6
111.08061	3.7
113.09647	0.6
117.07013	4.2
119.08578	2.1
121.06493	0.6
121.10151	9.5
123.08034	0.7
123.11708	2.1
127.03918	2.0
127.04929	0.7
129.07011	0.8
131.08583	4.3
133.10126	5.9
135.08041	1.1
135.11682	5.2
139.11180	1.2
145.04999	1.3
147.11745	1.0
149.13260	17.6
151.11180	0.9
159.11705	6.8
161.13210	0.7
177.12740	3.3
195.13805	9.0
209.53793	0.6
213.14938	0.8
250.18953	0.6
251.16403	1.1
261.22238	0.9
262.22488	0.9
269.17480	47.3
299.02750	0.6
335.25867	1.1
336.26154	2.8
366.78220	0.8
463.30563	100.0
464.31079	2.8
660.36176	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.01863	1.1
55.05515	6.7
57.03445	5.0
57.07067	1.3
61.02939	3.7
65.03948	1.2
67.05506	31.0
69.03435	1.3
69.07071	10.6
70.29999	0.7
70.30346	1.8
71.04992	2.8
72.37124	0.5
73.02914	1.5
79.05049	0.9
79.05494	18.6
81.03434	2.8
81.07058	44.1
83.04987	3.0
83.08627	8.7
85.02911	2.5
85.06552	2.5
91.03973	1.2
91.04954	1.0
91.05482	13.1
93.07048	31.5
95.04978	3.0
95.08607	11.6
97.02898	1.3
97.06527	5.9
97.10185	0.8
99.08086	1.3
105.07033	8.2
107.04951	1.4
107.08596	16.6
109.06518	1.9
109.10158	2.3
111.08098	3.5
117.07014	6.7
119.08591	3.0
121.06497	1.7
121.10147	8.4
122.09666	0.7
123.11706	2.7
126.24246	0.5
127.03911	0.7
129.06996	2.2
131.08572	7.3
133.06505	0.6
133.10136	7.8
135.08083	1.0
135.11691	5.1
135.31905	0.5
139.11185	0.7
143.08569	1.9
145.10121	2.0
147.11681	1.4
149.09599	1.0
149.13264	12.1
150.09105	1.4
151.11192	1.2
155.08517	1.2
157.10193	1.3
159.11707	6.5
169.10117	0.8
171.11703	1.3
173.09465	0.6
177.12784	1.9
181.10190	0.7
184.07437	1.1
195.13812	7.1
213.14790	1.3
233.78748	0.5
236.12608	0.6
243.24011	0.6
250.10983	1.3
251.11508	0.9
251.16512	1.4
263.11829	0.9
264.12088	0.7
269.17487	31.0
280.11703	0.8
298.36517	0.6
310.12729	0.8
343.26648	0.7
353.24765	1.8
371.25992	1.2
379.28342	0.6
389.26868	1.5
406.52231	0.6
413.22232	0.7
445.29538	13.0
463.30557	100.0
464.31204	2.8
464.36600	0.6
481.31348	1.0
504.21106	1.3
505.21548	3.4
506.22018	0.8
507.23087	1.7
536.24188	0.7
537.24353	1.8
607.34485	2.0
665.97162	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3953
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
53.30975	0.5
55.01861	1.6
55.05297	0.7
55.05517	7.4
57.03436	6.4
57.07066	1.6
57.48128	0.6
58.57079	0.5
61.02909	2.4
65.03946	1.6
67.05504	34.0
69.03449	0.8
69.07072	11.0
69.50433	4.5
70.06602	0.7
71.04978	2.5
73.02915	1.3
79.05048	1.2
79.05496	21.4
81.03410	1.8
81.07059	47.8
83.04986	3.7
83.08620	11.2
85.02901	3.0
85.06534	2.5
88.07652	0.7
91.03960	0.6
91.04945	1.0
91.05480	13.5
93.07045	31.7
95.04973	3.5
95.08607	13.3
97.02868	1.7
97.06537	7.0
99.08054	1.6
102.09164	0.9
103.09520	0.6
105.07037	4.7
107.07863	1.0
107.08593	18.9
109.06517	1.5
109.10182	1.7
111.08067	3.6
115.05451	0.6
117.07003	5.5
119.08588	0.9
121.06509	1.2
121.10142	9.2
123.08039	0.6
123.11703	2.2
125.09600	1.4
131.08574	6.7
132.10318	0.6
133.08580	0.6
133.10129	7.9
135.08069	1.7
135.11697	6.1
140.54092	0.7
147.11655	0.9
149.02344	2.6
149.12148	1.2
149.13264	14.5
150.02733	0.8
151.11179	1.0
159.11705	6.3
174.68977	0.7
177.12770	3.7
193.04971	1.5
194.05394	1.1
195.05502	0.6
195.13788	10.1
213.14893	1.3
230.83551	0.5
251.16417	1.7
257.26819	0.8
269.17480	52.1
270.17789	1.1
294.01151	0.6
309.12756	0.5
385.09103	1.0
386.09457	1.5
387.09653	0.9
430.12204	0.8
445.29541	1.6
463.30573	100.0
464.31003	1.9
532.48059	0.7
607.33466	0.7
660.36670	5.9
677.99274	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55305	0.5
53.03932	1.9
55.01865	1.2
55.05513	9.0
57.03444	5.6
57.07063	1.0
59.63644	0.5
61.02923	2.9
63.48593	0.5
65.03942	1.7
66.13964	0.7
67.05505	33.6
69.03426	1.1
69.06720	0.8
69.07070	12.1
69.33786	4.8
71.05001	3.4
71.64582	0.5
73.02916	1.2
79.05045	0.9
79.05499	21.9
81.03423	2.5
81.07060	46.9
83.04988	3.2
83.08627	10.4
85.02927	2.5
85.06543	2.3
91.03965	1.4
91.05488	14.0
93.07047	29.4
95.04972	2.7
95.08607	10.9
97.02889	1.8
97.06545	6.5
97.10137	0.6
98.21497	1.0
99.08120	0.7
104.35624	0.5
105.07034	4.5
107.08600	18.6
109.06535	1.1
109.10164	1.6
111.08090	2.5
117.07014	4.9
119.08563	1.4
121.06479	1.5
121.10141	7.2
123.08035	0.5
123.11687	3.6
125.09671	0.7
131.08578	4.9
133.10144	9.9
135.08070	1.0
135.11693	5.5
147.11678	0.7
149.12166	0.7
149.13269	12.2
150.75403	0.5
151.11208	1.7
159.11699	6.5
167.14304	0.8
177.12793	3.0
195.13828	10.1
197.31084	0.5
209.61377	0.5
213.14975	0.7
251.16473	2.3
269.17484	58.8
397.91464	0.5
445.29517	1.4
463.30569	100.0
464.30917	2.1
660.35876	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39181	3.1
53.03939	9.4
53.89995	2.6
55.01882	6.0
55.05504	13.2
55.45076	3.4
56.08983	2.6
57.03439	20.6
61.02931	72.4
66.18166	2.8
67.05508	37.1
69.03442	38.5
69.07067	10.8
70.73021	5.7
70.73388	5.7
71.04984	5.5
73.02917	25.4
75.04488	3.3
79.05499	32.0
81.03423	22.4
81.07062	45.0
83.04989	5.3
83.08598	7.4
85.02908	100.0
91.03957	58.7
91.05490	19.7
93.07050	32.0
95.04965	8.0
95.08615	34.2
97.02897	73.1
97.06506	3.4
98.10417	3.0
99.04462	12.8
101.02408	5.6
103.03927	7.2
103.57454	3.0
105.07050	18.6
107.05006	2.9
107.08598	22.2
109.02889	14.8
109.10133	14.1
111.04459	3.2
115.03945	5.0
117.05490	5.2
117.07030	10.2
119.08598	12.2
121.06505	3.0
121.10155	20.6
123.08062	3.2
123.11716	5.7
127.03928	30.7
129.05489	4.9
131.08566	12.9
133.10129	13.0
135.11726	13.0
145.04968	29.1
145.10098	9.2
147.11702	5.4
149.13252	6.2
159.06572	3.1
159.11725	8.6
161.13342	4.3
163.06006	7.1
169.10048	3.3
173.13297	7.7
183.06537	5.4
185.13347	3.0
243.21288	3.9
261.19803	3.7
261.22076	18.3
335.25845	60.5
437.75403	3.4
461.28720	4.1
479.29755	4.4
634.92908	3.2
659.37610	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	659.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	7.6
55.05501	10.4
55.52811	6.8
56.17159	8.5
67.05502	16.2
69.03423	9.3
69.07038	12.9
79.05499	20.5
79.48743	7.8
80.33347	7.5
81.03399	12.7
81.07053	22.6
86.09710	18.3
91.05476	38.5
95.08596	19.5
96.64301	7.8
105.07027	56.4
106.50149	7.7
107.07388	10.1
107.08603	26.3
108.08112	15.7
109.10167	10.4
110.92010	8.4
111.08096	8.1
119.08578	16.9
120.08102	9.3
121.10120	14.6
122.09660	21.5
131.08591	11.2
133.06432	7.5
133.10120	33.9
143.08546	10.8
146.06035	15.7
150.09148	74.4
157.10168	8.2
161.09627	32.5
163.11134	15.9
164.07051	10.5
167.06932	9.3
170.90280	7.7
172.03931	16.0
179.10649	8.1
180.62471	8.0
184.07336	32.0
189.09064	15.0
190.04794	9.3
192.51942	7.7
202.63455	9.5
204.06601	18.9
225.10233	15.6
227.11790	10.5
237.10246	12.7
239.11716	10.0
253.09666	17.2
265.09656	22.9
267.11340	30.1
269.12897	22.5
271.10779	10.6
279.11142	14.4
281.09387	13.5
281.12567	9.5
283.10730	21.3
283.14377	11.9
285.12540	11.3
287.13885	26.5
289.09760	9.0
293.09235	9.8
293.12595	13.3
295.10623	12.8
297.12338	9.4
300.11087	14.4
309.12302	35.4
314.12692	21.1
315.13147	21.3
325.11716	10.2
339.13528	52.6
341.15262	11.1
351.14340	16.4
367.12878	31.6
398.14954	20.0
399.15771	18.8
404.19672	13.1
416.15878	16.5
458.17368	40.8
464.21786	30.4
490.19531	11.1
504.21408	100.0
505.22116	58.3
536.24054	38.3
537.24707	27.7
595.25427	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
53.33985	0.7
55.05508	0.6
65.03925	0.6
67.05484	1.9
69.03398	1.8
69.07067	0.8
70.76480	0.6
79.05488	1.4
80.05022	0.6
81.03415	1.7
81.07026	1.3
81.52969	0.6
85.02880	1.1
89.03891	1.1
91.05467	2.4
93.07013	2.6
94.06561	3.8
95.04971	1.1
95.07327	1.8
96.08131	5.0
97.02888	0.7
97.06516	0.9
99.04458	0.9
105.07057	3.7
107.04930	0.9
107.08601	1.0
108.08116	5.6
109.02861	0.8
110.09689	5.2
116.04952	3.1
119.04911	0.8
119.64951	0.7
120.04454	0.7
120.08110	4.4
121.06513	0.6
122.06035	5.9
124.07613	5.3
127.03922	1.5
127.11185	0.7
128.06236	0.8
131.04982	0.6
132.08102	1.0
133.06451	1.1
133.10138	1.6
134.06026	1.5
135.06754	1.2
136.07600	10.4
137.05951	1.0
138.09171	6.9
142.07791	0.6
144.04430	6.7
144.08044	1.3
146.06020	2.1
146.09618	0.7
147.04391	2.9
148.07579	1.6
150.05504	1.7
152.07077	1.1
154.04991	1.2
155.07159	0.8
158.05994	1.1
159.35851	0.7
160.03932	2.8
160.07558	1.3
160.11189	0.7
161.07120	0.8
161.09624	2.9
162.05453	3.4
163.11205	0.6
164.07014	1.9
165.09097	1.7
166.08653	10.3
167.07086	1.1
169.08855	0.9
170.09654	3.2
172.03951	31.8
172.07516	1.3
172.11212	1.4
174.09241	1.4
175.08687	1.2
177.05531	0.6
178.04974	0.7
178.08659	0.8
179.06883	0.6
181.04948	1.1
184.07391	1.9
185.10724	0.9
186.09097	0.7
187.12292	5.6
189.09073	0.8
190.05017	7.8
194.08177	0.8
198.09174	24.0
200.09251	2.9
200.10986	1.1
201.10434	0.6
204.06580	41.4
209.08134	0.8
212.10811	3.4
213.10158	1.0
215.11812	19.3
225.10243	1.9
226.08722	5.5
227.08310	1.3
227.11827	2.6
228.08925	1.6
229.13400	1.1
237.10112	0.8
239.11765	1.2
240.10156	2.5
241.09784	2.6
241.13385	1.4
242.10518	2.3
243.11310	100.0
244.11542	1.6
250.10880	0.8
251.11751	1.3
253.09862	1.6
255.11305	7.2
256.12155	0.9
257.12897	6.4
265.09698	0.8
269.09149	1.4
269.12857	0.7
279.11334	1.5
283.10770	0.8
285.12360	99.6
286.12741	1.2
287.05414	0.8
287.10141	2.8
297.12311	2.2
299.13934	0.7
301.11887	5.8
303.13419	91.2
304.13626	1.4
305.11349	4.2
313.11801	1.3
313.15433	1.3
323.14133	1.3
325.11835	7.8
329.15192	0.8
339.13873	0.8
343.13174	0.9
351.14523	1.0
355.16724	1.0
357.14520	4.1
358.15240	1.7
371.12500	0.9
400.16711	1.4
418.17783	1.5
430.17258	1.1
456.15466	0.9
462.16577	2.7
470.17270	2.3
474.16245	3.2
476.18274	2.4
488.18210	1.4
494.19699	1.0
506.19376	0.9
536.20135	1.3
581.24274	0.9
583.25671	3.8
599.24432	1.8
609.23499	1.1
613.25854	1.3
623.25006	1.7
627.24603	5.2
641.26147	12.9
642.25909	0.8
659.26434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.1
59.28773	3.9
64.10751	3.9
67.05508	9.3
69.03427	6.2
69.07062	6.2
79.05482	12.4
81.03431	9.4
81.07047	16.3
85.02911	5.7
91.05460	18.6
93.03394	4.2
93.05766	3.5
93.07027	9.5
94.06558	19.3
95.04978	5.9
95.08591	9.9
96.08132	8.0
103.05462	5.1
105.07003	15.5
106.06548	9.2
107.04914	5.4
107.08566	6.7
108.08122	31.0
109.10171	5.3
110.09672	10.5
117.07032	4.1
119.04913	5.6
119.08539	6.1
120.04552	3.8
120.08098	16.0
121.06475	4.9
121.10149	5.6
122.06023	16.0
122.09639	8.6
124.07613	7.9
125.09583	5.5
127.03919	8.5
132.08087	5.8
133.10123	11.5
134.06012	14.8
136.07574	94.6
137.05954	10.3
138.05450	4.4
138.09116	13.1
144.04364	4.2
144.85114	4.1
146.06062	9.1
147.04420	8.3
148.07539	26.6
150.09077	6.9
151.07562	7.0
152.07065	76.9
153.01875	8.1
161.09584	11.9
162.05515	9.5
163.11217	5.7
164.07066	35.4
165.09088	9.8
166.08656	25.0
167.07024	12.3
172.03973	19.5
174.09128	8.8
175.07486	5.7
176.07146	5.1
180.06511	19.2
181.04938	25.3
184.07352	4.4
189.09044	7.1
190.05013	14.8
197.10715	9.4
198.11546	11.9
199.12326	3.8
204.06552	29.4
207.06496	5.8
209.08031	13.7
209.10825	6.9
210.11482	9.1
211.08467	4.4
211.12273	16.6
212.13080	3.8
213.10254	5.1
221.10823	4.5
222.11537	4.6
223.12360	20.3
224.09315	3.8
224.13210	4.5
225.10269	22.9
226.10980	15.7
227.11755	14.7
235.12167	5.5
236.09396	4.9
237.10278	29.2
237.13834	9.4
238.07327	4.0
238.10934	21.7
239.11803	22.0
241.09576	9.3
243.11200	12.3
249.10243	16.4
250.10950	15.2
251.08105	5.6
251.09399	4.6
251.11732	34.5
252.08902	4.4
252.12553	7.6
253.09694	10.0
253.13298	11.5
262.11115	6.9
263.08118	5.4
263.11771	29.7
264.08777	12.3
265.09692	22.0
265.13159	10.6
266.10507	7.7
267.11285	39.8
269.12790	17.4
271.10767	7.1
271.14398	14.2
277.09729	12.0
278.10242	5.0
279.11288	49.0
280.11969	7.7
281.09503	4.7
281.12845	16.6
283.10788	15.2
284.11469	23.1
285.12320	64.6
287.05417	15.9
287.10190	11.3
287.13907	12.5
291.11304	12.4
292.11871	5.9
293.09271	6.8
293.12784	13.7
295.10739	13.4
296.11560	10.2
297.12381	69.6
298.13098	9.4
299.13873	6.1
303.13467	9.2
305.11212	6.0
309.12225	25.8
311.10474	9.0
311.13879	6.0
313.11816	13.0
315.13559	4.7
316.14499	8.2
319.10852	9.0
321.12228	13.8
323.10434	24.7
325.11829	25.9
326.13171	6.0
327.13437	12.7
328.14340	8.4
329.11520	4.7
329.15158	4.6
330.16040	9.0
337.07874	6.5
337.11847	59.2
339.09747	12.1
340.14371	6.8
341.11316	10.9
341.15128	5.8
342.15924	8.1
344.17520	5.6
346.19122	12.9
351.14264	8.0
354.16278	5.2
355.13132	7.3
356.13589	5.7
357.14578	7.5
358.15256	4.9
360.16983	6.2
367.12900	6.3
368.13821	9.5
369.14548	8.9
370.15512	11.8
373.14020	9.7
374.18716	9.7
384.17258	6.8
386.18948	4.7
388.16644	5.3
390.17941	9.1
392.19580	15.9
400.16599	15.1
401.12659	4.5
402.18048	16.1
404.15930	11.3
412.16312	5.8
417.16461	4.5
418.17697	18.9
420.19205	14.1
430.17734	41.1
438.14017	4.6
444.15204	4.8
446.16724	6.2
448.18625	23.2
456.15430	14.0
458.17007	13.5
459.17444	5.2
460.18555	17.9
461.19080	8.1
462.20456	5.8
463.17346	42.3
464.18109	41.5
474.16516	10.2
476.18161	20.3
486.16202	5.7
488.17978	15.0
490.16052	16.9
491.16708	14.3
492.17484	12.8
493.22104	7.2
504.17706	100.0
505.18179	15.1
506.19333	34.2
518.19232	16.7
519.19769	6.7
536.20441	76.8
537.20874	7.0
581.23737	14.7
583.25690	10.7
585.23413	5.4
599.25079	10.4
609.23450	36.1
615.28253	7.0
627.24591	86.5
641.25378	15.8
659.26947	10.8
659.38672	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	659.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	22.3
69.39700	100.0
71.08667	11.4
79.05496	28.0
81.07055	21.9
89.06040	61.3
91.05488	20.3
93.06998	14.6
95.08612	18.9
98.98505	12.6
109.10155	17.3
119.08600	17.0
119.91007	10.4
133.08611	30.2
177.11243	18.2
276.45709	13.0
290.06454	11.4
292.00015	11.1
410.67047	14.7
494.78235	12.9
659.22382	81.2
659.44922	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99140	2.2
53.03925	2.5
54.93015	2.2
55.05512	2.7
59.31577	1.9
61.02929	2.8
63.80278	2.2
64.39537	2.3
65.03938	4.9
67.05492	6.6
69.03436	4.3
71.62057	3.5
79.05499	4.2
80.05026	2.6
81.03408	4.4
81.07042	4.8
83.04990	3.5
85.02897	5.1
91.05489	6.3
93.07040	6.6
94.06573	7.1
95.04998	2.5
95.08585	3.8
99.04454	2.1
105.07038	8.4
107.08603	4.3
108.04485	4.2
108.08121	11.7
115.05476	2.3
119.08610	5.2
120.08110	5.9
122.06037	19.6
124.07598	3.4
127.03970	2.4
129.07014	3.3
131.08676	2.3
132.08089	19.2
133.10161	5.5
136.03949	12.6
136.07578	57.7
137.06024	2.2
138.09126	2.4
140.52063	2.5
144.08083	7.7
146.06070	3.2
146.09677	5.7
148.07568	4.4
149.14369	2.2
154.05003	33.0
158.06036	10.5
160.03966	13.6
160.07594	7.1
161.09567	2.5
164.07085	6.5
167.06985	2.9
168.08128	3.7
170.09645	3.5
173.04787	2.9
173.10745	3.3
174.05469	3.1
174.09174	3.7
178.04951	3.9
178.08646	6.4
181.04985	4.0
184.07414	3.9
185.10829	3.5
190.08659	4.6
191.09489	2.9
192.10184	14.6
198.07820	4.5
198.09378	3.2
199.08607	5.3
200.07065	4.7
201.10245	4.2
204.06589	4.5
204.10239	7.5
213.06491	4.2
213.10237	6.3
214.07425	4.5
218.08176	13.7
219.96526	2.4
224.07170	4.6
226.07326	4.8
227.08208	5.4
231.07613	2.7
232.09804	6.3
234.11299	3.4
240.08908	3.7
241.09795	21.7
242.08250	3.4
246.07695	9.6
250.10762	18.1
259.10767	8.1
263.07800	2.9
264.08762	7.6
269.09225	8.7
269.12564	3.1
281.12860	2.8
283.10779	3.0
287.05588	3.2
287.10269	68.7
287.13364	2.4
305.11316	100.0
313.11874	4.2
313.15405	38.2
323.13910	21.5
341.11334	3.8
342.15497	2.8
351.09793	5.7
355.12329	2.1
355.16519	39.7
375.34131	2.2
384.13361	3.7
385.14258	3.3
400.16452	4.6
458.17313	6.4
459.17844	3.1
464.84131	2.6
488.18015	3.0
504.17667	6.9
505.18259	7.4
506.19287	12.6
536.20154	9.5
550.37872	2.6
609.23389	3.7
627.24542	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34058	0.7
71.61105	1.2
73.09293	0.7
79.90610	0.7
81.03352	1.5
90.06532	0.7
108.37098	0.7
116.09137	0.6
150.23749	0.8
167.03178	4.4
259.02298	1.0
277.03394	2.5
278.03738	1.2
299.01636	4.8
343.00562	12.2
357.34879	0.7
360.00839	1.6
361.01678	45.0
395.04095	0.7
403.02686	10.5
459.05460	1.8
487.04861	100.0
488.05283	2.7
657.07037	30.8
658.07770	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71994	0.6
52.11551	0.7
53.03945	1.4
54.91631	0.7
55.01884	0.7
55.05513	7.1
56.38621	0.6
56.51321	0.7
57.03424	1.8
57.06859	0.6
57.07079	6.7
64.64209	0.7
65.03935	2.4
67.05509	31.3
69.03415	0.8
69.07076	12.2
69.33453	1.3
69.33853	6.2
69.64091	0.7
71.05003	3.8
71.08648	3.3
73.06544	0.7
79.05497	19.7
81.07062	46.3
82.07409	0.7
82.28159	0.8
83.04980	1.9
83.08623	3.2
85.06546	6.2
85.10174	1.1
89.06039	6.9
91.05486	10.7
92.05815	0.7
93.07049	17.8
95.04974	3.0
95.08613	44.3
97.06519	3.2
97.10173	1.9
98.98447	0.8
99.08120	1.1
105.07043	9.3
107.08608	8.5
107.71363	0.6
109.06576	0.8
109.10145	3.3
117.07008	1.8
117.09173	1.1
119.08572	6.8
121.10136	7.9
123.08057	0.9
123.11737	1.8
131.08563	3.0
133.08627	4.5
133.10136	3.5
135.11671	3.5
137.13266	1.4
145.10106	3.0
147.11684	6.0
147.16014	0.6
149.13301	1.5
159.11662	1.5
165.12755	2.3
173.13275	0.8
177.11234	2.0
183.13812	1.6
200.35382	0.7
201.14908	0.9
208.16972	7.0
226.18005	5.9
257.17444	1.1
261.22208	2.0
275.20074	1.3
276.20605	1.2
291.19550	1.2
292.19867	1.0
304.26199	1.0
306.14682	2.1
317.24942	0.9
335.25894	3.0
350.24414	0.7
362.17203	2.7
380.18307	4.8
517.38916	100.0
518.38977	2.3
640.39728	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	655.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37352	2.0
53.03935	10.9
55.01862	6.0
55.05517	23.3
57.03439	13.8
57.03653	2.1
57.07082	2.6
59.04993	2.6
65.03918	4.7
67.05511	64.9
69.03426	22.3
69.07069	12.5
70.09710	11.7
71.04639	3.3
71.05001	53.5
73.02910	3.0
79.05501	44.0
79.25285	2.6
81.03426	100.0
81.03904	5.6
81.07062	97.2
83.04987	24.7
83.08624	25.6
85.02503	2.2
85.02918	25.3
85.06533	10.2
87.84657	2.5
91.04958	3.3
91.05491	56.1
93.07058	38.4
95.04970	30.1
95.08607	23.6
97.02892	12.4
97.06546	12.2
97.10151	6.1
99.04467	7.8
105.07037	39.2
107.04977	13.0
107.08603	21.9
109.02885	20.2
109.06500	9.8
109.10143	9.6
111.04427	11.6
111.08076	7.9
115.05434	2.9
117.07021	10.5
119.04931	2.3
119.08597	23.6
121.06509	7.4
121.10140	16.4
123.08061	6.8
123.11718	12.6
125.09628	4.6
127.03952	12.0
129.07011	12.6
131.08595	17.2
133.06534	4.1
133.10135	27.8
135.04344	3.0
135.08072	2.4
135.11681	8.8
137.05930	2.8
141.75899	2.3
142.07744	3.1
145.10159	4.6
147.08018	5.0
147.11685	17.2
149.09647	7.5
149.13234	6.6
151.11171	8.5
157.10080	10.6
159.11699	11.0
161.13234	2.4
163.11166	5.7
165.09109	2.7
165.12733	3.5
170.59534	2.3
171.06560	2.6
173.04471	10.0
173.05856	3.0
173.09610	4.0
175.11197	14.4
177.12730	7.7
183.13765	8.0
187.13289	12.4
193.12247	42.0
195.13808	3.4
201.14806	2.7
211.13313	54.3
235.13403	2.9
261.53372	2.8
267.15948	11.1
269.17493	3.7
270.39716	2.6
273.14734	2.4
285.17014	5.9
287.05402	3.6
301.14279	4.7
301.20117	2.7
311.59064	2.5
313.16315	4.9
339.18262	5.9
395.20389	3.5
427.23172	4.3
435.27386	13.1
453.28500	16.2
461.29037	17.6
467.29800	9.5
479.29974	3.7
511.32761	11.2
545.31378	2.8
605.33240	5.3
623.34308	15.5
637.35309	4.6
655.26123	4.3
655.36975	54.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.9
55.01859	6.5
55.05507	27.6
57.03423	6.8
67.05508	26.7
69.03417	7.6
69.07056	6.4
71.04987	4.4
79.05492	27.4
81.03405	9.6
81.07050	26.1
83.04950	6.0
83.08617	13.6
85.02892	4.9
91.03912	2.9
91.05478	24.3
93.07033	14.1
95.04987	3.4
95.08615	10.3
97.06553	2.9
97.10173	29.0
99.04433	3.4
103.05458	10.5
105.07037	24.6
107.04951	3.3
107.08575	14.9
109.10138	7.3
115.05463	5.2
117.07006	29.0
119.08569	10.8
120.92612	1.9
121.10139	4.2
125.09623	25.1
128.06210	2.4
129.07002	16.5
131.08592	23.0
133.06503	8.1
133.10127	8.9
135.08035	7.0
135.11638	3.4
141.07002	5.1
143.08551	6.4
145.06500	4.4
145.10094	7.8
147.08052	3.7
149.09560	2.4
153.09137	2.5
155.08542	5.9
157.10080	4.8
159.08012	3.9
159.11639	4.1
161.09621	5.6
163.11116	2.7
167.08488	3.2
169.10080	6.2
171.08008	3.4
171.10263	2.5
171.11638	4.8
173.13341	2.9
175.07361	2.4
175.11298	2.0
181.10164	3.5
185.09671	3.4
187.14816	7.6
189.09364	2.0
189.11205	11.0
195.11761	2.4
197.13248	10.1
199.11166	2.8
205.10132	2.2
213.12704	3.6
215.14316	39.9
223.65848	2.3
227.12733	18.6
237.12680	2.5
258.51569	2.0
282.47916	2.3
317.40720	2.5
321.22025	3.3
349.21646	3.3
351.14694	1.9
367.22687	12.2
385.23795	11.6
403.24915	4.7
441.26376	60.8
442.02139	2.2
455.39923	2.0
459.27390	100.0
460.27722	4.2
477.28555	20.8
656.36969	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03443	1.2
69.50837	6.4
70.62831	0.9
81.07059	1.0
98.20692	0.9
105.06984	1.0
107.08636	1.0
127.08771	0.8
135.04483	0.9
141.98956	1.0
145.05020	1.5
153.01848	1.0
162.05365	1.0
163.06004	1.9
188.06863	3.5
204.59903	1.0
219.04329	0.9
227.05411	5.8
271.06036	7.1
287.05530	3.3
293.12717	2.6
301.09451	1.8
304.12274	1.1
311.13635	19.7
315.11154	1.8
316.11884	5.7
317.12601	9.1
318.13455	3.5
319.10474	8.3
320.11502	1.3
325.10089	1.0
337.88220	0.8
343.10574	1.4
359.10071	2.1
360.10837	7.4
361.11606	66.4
362.12201	4.9
367.12845	3.6
370.92575	0.9
390.12958	0.9
393.14145	8.8
439.18784	1.2
442.17239	2.0
456.19022	3.0
460.17966	1.9
483.17651	8.1
500.17853	2.1
501.18857	3.1
502.19510	4.2
532.20520	2.7
579.25818	9.8
623.24780	100.0
624.25024	5.3
655.27350	61.9
656.27631	2.6
657.71521	1.0
673.27222	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	655.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
53.95707	0.2
55.01868	0.4
55.05513	0.5
57.03433	0.3
67.01849	0.4
67.05515	1.1
68.99811	0.5
69.03430	1.5
69.07054	0.5
70.14562	0.8
71.04991	1.7
77.14353	0.2
79.05495	1.6
80.16760	0.2
81.03416	2.5
81.07060	1.2
82.08501	0.2
83.08617	0.3
85.02901	0.8
91.05486	2.5
93.07027	1.6
95.04964	0.8
95.08617	0.8
97.02893	0.8
97.06570	0.3
99.04465	3.7
103.05437	0.5
105.07037	12.8
106.07366	0.2
107.04948	0.5
107.08600	1.7
109.02878	1.2
109.06499	0.6
109.10168	0.4
111.04448	0.6
111.08057	0.3
113.40686	0.2
116.54092	0.2
117.03364	0.3
117.06982	0.6
119.04959	0.4
119.08586	1.0
121.06485	1.2
121.10156	0.5
123.08073	0.8
127.03913	1.2
128.06265	0.8
129.07002	0.3
130.07788	0.2
131.04945	0.7
131.08566	0.7
133.06541	1.3
133.10135	8.0
135.04422	2.0
135.11665	1.1
137.02361	0.4
137.05966	0.6
143.08568	1.3
145.06494	0.3
145.10110	1.0
146.07295	0.8
147.04442	0.4
147.08029	0.4
149.05945	0.3
151.03841	0.3
151.07544	0.6
153.01849	5.9
153.30855	0.2
159.08054	0.4
161.02382	0.5
161.09630	15.6
163.11177	3.2
171.02838	0.5
171.08032	0.6
174.06749	0.3
179.03427	0.4
179.10677	3.7
189.09116	5.0
193.12141	0.3
207.10210	2.1
223.08942	0.3
241.04976	0.3
264.37772	0.3
269.04556	0.4
286.04816	0.3
287.05508	100.0
288.05771	1.5
293.32562	0.3
305.14020	0.3
323.14911	0.3
329.72327	0.2
333.13312	0.8
351.14511	1.2
369.15390	0.4
431.09653	0.4
447.14612	0.3
449.10712	0.8
475.13766	0.7
501.55356	0.3
529.13385	0.4
609.19513	0.5
611.21021	0.4
623.24524	0.5
637.18768	1.5
655.19299	0.3
655.26959	0.3
655.36523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.1
57.07074	0.8
58.06599	7.0
67.05492	0.7
69.07050	1.8
69.60771	4.0
72.08156	4.0
73.06556	2.2
77.09730	0.6
79.45855	0.5
83.04980	1.2
86.09708	30.2
93.07039	0.5
95.04967	0.6
95.08598	0.6
100.11259	100.0
101.06018	2.4
128.10803	0.6
137.32008	0.7
141.56052	0.5
144.40414	0.6
146.11806	2.9
154.15894	3.9
168.13832	1.1
172.13344	1.9
186.14938	1.3
186.60355	0.7
197.02196	0.5
200.16464	1.1
214.14453	1.1
224.90233	0.6
228.15976	5.8
252.98309	0.6
261.24023	0.6
285.21759	5.8
313.21338	1.1
313.24820	8.4
341.24326	12.8
341.30664	0.7
381.27600	0.8
409.27240	0.9
427.27707	0.7
446.03647	0.6
454.32849	2.0
472.33762	6.2
498.35522	0.8
526.35168	0.8
540.36847	0.9
625.45374	29.5
626.45575	1.3
653.44861	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	655.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
53.03928	0.7
55.01855	0.4
55.05503	0.4
55.41246	0.2
57.03430	0.4
59.00773	0.2
63.88974	0.2
64.52037	0.2
67.01858	0.5
67.05491	0.7
68.99804	0.5
69.03439	1.8
69.07056	0.3
69.40204	1.1
69.40615	0.6
70.06580	0.3
71.04993	1.6
79.05490	1.8
81.03410	2.4
81.07061	1.1
83.04960	0.4
83.08625	0.3
83.10748	0.2
85.02905	0.7
87.04446	0.2
89.03893	0.3
91.05477	2.5
93.07016	1.4
95.04944	0.6
95.08589	0.9
97.02897	0.8
99.04459	3.6
103.05456	0.7
105.07030	12.3
107.04947	0.5
107.08601	1.8
109.02881	1.5
109.10133	0.5
111.04431	0.2
115.05446	0.5
117.03356	0.4
117.06989	0.6
119.08582	1.4
121.06487	1.1
121.10107	0.4
123.08069	0.7
123.11707	0.3
125.09605	0.2
127.03915	1.3
128.06213	0.6
129.07013	0.3
131.04922	0.6
131.08549	0.7
133.06516	1.4
133.10130	6.9
135.04420	1.9
135.11682	0.9
137.02353	0.8
137.05949	0.3
141.06909	0.2
143.08539	1.1
145.06450	0.5
145.10118	1.0
146.07269	0.6
147.04424	0.3
147.08096	0.5
147.11661	0.4
149.09706	0.2
151.03900	0.2
151.07573	0.7
151.11188	0.2
153.01834	5.4
159.08054	0.3
161.02368	0.6
161.09624	15.9
163.11177	3.5
165.09175	0.4
171.02892	0.4
171.08069	0.5
175.11192	0.5
179.03392	0.4
179.10663	3.1
189.09097	5.2
191.10593	0.4
193.12366	0.3
194.11665	0.3
203.10649	0.2
207.10191	1.9
208.15944	0.2
209.11656	0.2
211.13268	0.2
241.04976	0.5
245.04456	0.3
269.04465	0.6
269.12006	0.3
271.13077	0.2
286.04694	0.3
287.05496	100.0
288.05801	1.4
305.13879	0.4
315.12280	0.3
323.14850	0.4
333.13245	1.0
351.14520	1.3
367.23398	0.2
369.15494	0.4
431.09695	0.6
447.14334	0.5
449.10654	0.9
475.14020	1.0
485.90543	0.2
492.90683	0.2
529.13373	0.9
609.19958	0.3
611.20776	0.3
619.18646	0.3
622.63519	0.3
623.24933	0.4
637.19147	2.5
655.36493	0.8
660.45972	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3531
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03951	16.0
54.74063	2.9
55.01860	6.8
55.05509	22.7
57.03430	16.5
59.04979	3.3
65.03938	3.8
67.05161	4.3
67.05502	60.9
69.03423	15.4
69.07059	14.8
69.46555	6.5
69.46971	13.3
71.04986	11.3
79.05055	3.8
79.05490	66.2
81.03418	100.0
81.07057	59.5
81.07516	5.8
83.04984	29.5
83.08627	21.1
85.02890	17.0
85.06536	3.9
90.47877	2.6
91.05482	65.6
93.07044	55.3
95.04967	30.0
95.08598	24.9
97.02907	17.7
97.06517	12.4
97.10173	7.1
99.04452	6.4
103.05468	2.6
105.04520	3.0
105.07032	45.0
107.04952	12.4
107.08592	26.8
109.02861	11.8
109.06495	10.9
109.10143	11.8
111.04435	10.6
111.08080	8.8
115.05467	4.2
116.10696	2.4
117.07008	11.4
119.04945	3.1
119.08584	32.7
121.06505	6.2
121.10132	14.9
123.04425	2.6
123.08086	6.5
123.11716	4.8
125.09673	3.6
127.03905	10.3
128.06194	3.7
129.05502	3.2
129.07007	23.3
131.08531	18.7
133.06487	3.7
133.10130	20.3
134.10437	2.9
135.08037	4.0
135.11690	7.2
143.08563	10.6
145.10123	11.7
147.04352	2.9
147.08035	4.1
147.11679	34.1
149.09628	5.9
153.12787	3.4
157.10147	12.9
159.11662	3.2
161.09615	3.8
161.13235	8.0
163.11168	10.0
169.10156	3.1
171.08243	2.6
171.11713	16.3
172.99733	2.9
173.04405	5.1
175.11234	13.5
189.12712	7.2
193.12244	32.8
207.13800	26.3
211.13300	33.0
222.43282	2.5
227.12816	6.8
267.15921	29.8
271.05865	2.7
277.03366	2.6
281.14627	3.7
281.17487	50.6
285.16916	9.2
355.17477	2.9
398.26102	4.4
429.21082	10.8
456.30515	5.7
473.29016	74.3
491.30042	17.4
617.32050	3.2
635.34052	30.3
653.34882	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	651.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.6
55.01874	5.2
55.05509	33.9
57.03445	8.8
59.05007	3.1
67.05161	6.3
67.05508	100.0
67.26180	2.7
67.62516	3.1
69.03432	31.9
69.07076	18.7
69.86524	2.5
69.89513	2.4
71.04998	7.5
71.61862	3.6
75.74352	2.8
79.05496	37.3
81.03423	57.7
81.07059	71.4
83.04980	26.0
83.08620	16.6
85.02901	8.5
91.05479	28.5
93.07055	39.8
95.04980	8.8
95.08618	43.7
97.02911	20.8
97.06506	3.4
97.10180	16.2
99.04455	5.8
105.07017	19.2
107.04968	4.3
107.08589	23.4
109.02897	9.9
109.06518	3.0
109.10155	57.7
110.52884	2.8
111.04471	8.8
111.08094	3.5
111.22558	2.9
117.07017	12.0
119.08586	22.2
121.06504	3.9
121.10111	14.7
123.11737	6.2
125.09631	14.7
127.03901	8.6
129.05489	13.2
129.07034	7.9
131.08569	11.3
133.10121	15.5
135.08086	8.2
135.11707	8.4
137.09605	7.9
141.07030	3.8
143.08583	7.5
145.10107	10.2
147.11710	10.4
149.13234	6.2
153.09108	4.3
155.08630	5.5
155.10629	4.1
157.10144	8.5
159.11703	10.3
161.13318	5.9
171.11777	3.8
173.11725	14.6
173.13184	5.7
181.10251	3.4
185.13203	6.5
187.14818	3.8
189.11250	10.7
195.11859	3.4
209.13266	4.6
215.14293	3.2
225.16528	3.0
227.12852	18.3
229.14317	32.3
245.04202	3.0
245.13832	5.5
261.22159	5.9
277.21573	3.4
301.21564	3.6
327.23151	3.6
335.25827	5.8
337.27377	10.6
341.24561	3.0
369.24310	8.8
371.16974	6.1
373.18613	7.2
387.25369	5.9
405.26550	5.8
443.28152	4.2
461.29001	4.1
597.37689	8.1
615.38812	7.6
633.39716	21.9
651.41077	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.8
55.01863	0.5
55.63057	0.4
57.03437	0.8
69.03426	5.5
69.64452	1.2
69.64890	1.3
73.02892	1.1
73.46571	0.3
74.73035	0.3
80.51828	0.3
81.03416	3.1
85.02898	4.9
89.26182	0.3
91.78789	0.3
97.02877	0.6
99.04447	0.9
103.05455	0.5
109.02867	1.6
119.82652	0.4
127.03919	7.0
140.95865	0.4
146.44145	0.3
147.04433	0.7
153.01872	0.6
157.02806	0.8
175.03914	1.6
185.02344	1.1
187.03902	2.9
191.03391	0.4
195.38765	0.4
201.01791	0.3
203.03392	2.5
213.01859	2.4
215.03427	3.4
219.02795	0.4
229.01315	0.6
230.02061	0.5
231.02878	15.5
231.05188	0.8
241.01321	2.2
247.02374	0.9
257.00726	0.7
259.02383	25.5
260.03116	0.4
275.01886	1.5
276.02597	1.0
277.03433	100.0
278.03687	1.2
303.01331	14.9
303.12360	0.3
321.02359	4.2
323.98621	0.4
357.05951	0.5
363.03534	3.5
385.05463	1.7
389.82111	0.4
429.04266	0.6
465.06693	10.1
632.77802	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.3
55.01871	5.9
55.05512	30.0
57.03437	11.0
60.82384	2.1
62.52000	2.2
63.38069	2.1
65.03942	3.4
67.05507	100.0
69.03429	22.5
69.07063	16.3
70.96004	2.0
71.04981	8.2
71.61357	2.6
73.02896	2.2
79.05501	33.2
81.02974	4.0
81.03420	53.0
81.07057	60.4
83.04532	2.8
83.04987	30.5
83.08618	13.4
85.02885	6.0
85.06571	3.1
91.05480	26.2
93.07050	37.1
95.04950	9.0
95.08609	44.4
97.02877	18.5
97.06525	5.4
97.10173	18.3
99.04454	4.0
105.07024	20.4
107.04984	4.3
107.08595	21.4
109.02891	7.1
109.06547	3.4
109.09438	3.8
109.10156	55.0
109.59291	1.8
111.04449	6.1
111.08109	2.2
111.70019	2.1
112.06891	1.8
115.05482	2.5
117.07029	10.5
119.08573	20.4
121.06472	2.3
121.10139	17.3
123.04419	2.0
123.08041	3.3
123.11703	7.4
125.09609	15.8
127.03926	8.8
128.06184	2.4
129.05464	16.5
129.07010	6.4
131.08571	13.2
133.06444	2.2
133.10143	15.1
135.08046	3.9
135.11691	8.1
137.09625	3.7
137.13293	2.4
141.06967	2.4
143.08577	8.0
145.06493	2.1
145.10130	11.6
147.11707	7.9
149.13310	6.0
153.09077	2.2
155.08588	3.9
155.10699	2.8
155.65302	2.3
157.10146	5.7
159.08070	2.5
159.11703	8.1
161.09578	4.0
161.13231	4.2
163.11215	2.8
169.10046	4.0
171.08046	2.1
171.11739	6.6
173.11714	11.0
173.13147	5.0
175.14859	3.1
183.11702	3.2
184.07326	2.4
185.13292	2.5
187.14803	2.6
189.11203	12.0
195.11652	2.6
197.13257	4.3
199.11232	2.8
199.14799	2.5
202.26709	2.2
227.12682	18.0
229.14304	19.5
245.13806	3.9
259.20544	3.0
261.22226	6.0
263.23703	3.1
301.21808	3.1
313.21994	2.5
328.53607	2.8
335.26056	11.6
337.27469	14.4
351.23224	4.9
369.24356	5.7
371.17041	5.3
373.18610	5.2
387.25259	6.1
405.26334	3.2
479.29694	4.6
489.35690	5.1
507.36713	4.1
578.23566	2.3
597.37964	2.7
615.38654	4.5
633.40179	12.8
651.41455	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	651.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.7
55.01867	5.2
55.05511	26.7
57.03441	13.7
57.07074	5.6
58.35594	2.2
59.04999	3.3
65.03943	6.1
67.05508	100.0
69.03425	30.3
69.07076	17.5
71.04982	10.0
71.08607	2.9
79.05500	34.8
81.02963	4.0
81.03417	51.3
81.07060	68.9
83.04981	26.4
83.08610	16.0
84.51685	2.3
85.02895	6.8
85.06549	7.3
86.09729	2.8
87.04492	2.4
91.05476	40.6
93.07045	43.4
95.04966	9.8
95.08609	50.0
97.02883	14.1
97.06525	6.1
97.10186	17.2
99.04467	7.2
101.49842	2.9
105.07030	30.7
107.04945	4.6
107.08604	26.2
109.02868	10.8
109.06568	3.0
109.10162	58.8
111.04428	9.5
111.08060	5.5
117.07004	12.2
119.08583	25.5
121.06496	4.7
121.10129	15.4
123.08070	3.5
123.11704	6.6
125.09616	10.8
125.10437	2.2
127.03918	7.4
128.06276	3.5
129.05467	11.0
129.07014	8.7
131.04930	2.8
131.08577	17.6
133.06482	5.1
133.10139	16.2
135.08029	4.8
135.11717	10.7
137.09595	7.2
137.13179	2.8
141.06981	3.8
143.08586	7.8
145.10155	11.6
147.08128	2.8
147.11707	11.5
149.13237	6.9
153.09119	3.6
155.08517	5.1
155.10568	4.5
157.10150	9.2
159.08067	2.8
159.11720	14.4
161.13266	4.7
163.11203	4.0
163.14806	3.0
165.12770	2.4
167.08502	3.1
169.10136	4.1
171.08064	2.7
171.10361	2.6
171.11743	8.4
173.11720	21.3
173.13306	7.0
181.10135	3.0
183.11673	4.1
185.13225	6.1
187.14871	4.1
189.11229	12.4
189.12827	3.9
195.11797	3.4
197.13319	3.3
199.14807	3.8
200.50905	3.4
227.12816	14.2
229.14368	36.0
229.62630	2.6
245.13882	3.7
245.22836	3.2
259.20584	3.2
260.10797	2.4
261.22116	5.8
277.21481	3.6
301.21561	4.8
335.25800	12.8
337.27405	13.5
351.23190	6.7
353.24545	2.7
369.24191	10.7
371.17123	6.4
371.25781	3.0
373.18576	9.2
387.25345	8.3
405.26541	3.4
443.27942	5.3
461.28934	6.1
479.29941	4.6
489.35736	4.7
507.37067	3.8
566.97778	2.7
597.37915	4.8
615.39294	6.6
633.39862	25.7
651.40277	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.3
53.52545	2.6
55.01871	4.6
55.05518	28.0
57.03437	14.4
57.07066	6.2
57.37800	2.4
59.04986	2.6
65.03934	5.0
65.35062	2.8
65.47083	2.7
67.05164	5.0
67.05509	100.0
69.03429	33.0
69.07067	13.0
71.04985	6.5
71.62227	3.1
79.05498	31.2
81.03416	36.3
81.07059	55.9
83.04962	12.4
83.08626	14.6
85.02917	3.5
85.06545	2.8
91.05486	30.0
93.07040	32.6
95.04974	8.4
95.08609	33.8
97.02899	12.2
97.06524	6.2
97.10188	13.1
99.04467	6.5
103.03945	2.6
105.07032	22.8
107.08597	24.7
109.02876	4.5
109.06512	6.9
109.10160	59.7
111.04409	6.5
111.08092	9.2
117.07014	16.2
119.08580	28.3
121.06521	2.9
121.10143	15.5
123.04430	3.4
123.08043	5.2
123.11667	6.7
125.09573	12.6
127.03895	7.3
129.05482	8.7
129.06978	5.6
131.08582	19.5
133.10149	14.3
135.08057	7.8
135.11682	8.1
137.09596	4.7
137.13269	2.8
139.11148	3.4
141.07040	3.9
143.08577	8.8
145.10114	11.4
147.08044	4.8
147.11705	7.2
149.09656	4.0
149.13271	5.6
151.11234	3.1
153.09059	3.7
154.40195	2.5
155.08560	4.2
155.10612	3.2
157.10123	6.4
159.11703	10.2
161.09616	3.3
161.13277	6.0
163.11250	3.1
167.08577	3.6
169.10097	4.7
171.11691	7.3
173.09579	3.3
173.11844	21.5
173.13208	5.7
175.11243	3.7
175.14772	2.4
177.12740	2.6
181.10112	3.6
183.11702	3.4
184.07310	4.0
185.13348	4.7
189.11205	8.1
189.12794	6.2
195.11731	3.7
197.13290	3.6
217.12000	3.1
227.12801	9.2
229.14360	44.6
261.22183	4.6
301.21701	5.0
315.23340	3.2
335.25909	5.1
337.27316	8.6
345.24359	4.9
351.23120	5.2
369.24182	10.6
371.17105	6.1
373.18524	3.6
387.25314	10.5
405.26123	4.2
443.28366	3.2
461.28983	6.0
479.30075	6.2
489.35587	6.8
520.93365	2.9
573.37695	3.4
597.37866	7.8
615.38751	10.3
617.85651	2.9
633.40070	19.9
651.35529	8.4
651.42877	7.7
675.14960	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	651.4102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.0
55.05513	15.0
64.55760	5.4
65.03954	5.6
67.05502	20.8
69.03423	14.2
69.07072	13.4
71.04988	6.3
71.62127	6.1
79.05492	17.7
81.03410	11.1
81.07053	50.5
83.04986	5.7
83.08598	9.1
85.02928	22.9
86.35753	4.3
91.05486	33.5
92.40289	4.4
93.07045	63.2
95.04962	12.1
95.08616	77.2
97.02883	6.7
97.06553	6.4
97.10146	7.8
105.07026	47.8
107.04941	8.7
107.08598	100.0
109.10165	42.8
111.08074	18.7
117.07059	7.4
119.04965	12.7
119.08588	83.3
121.10155	55.1
123.08018	5.3
123.11706	19.3
125.09629	77.3
127.03947	12.9
131.08592	30.3
133.10147	66.8
135.04407	6.0
135.11702	30.6
137.09659	4.7
143.08536	13.5
145.10129	65.7
147.04395	65.0
147.11650	23.4
149.02348	8.6
149.09642	6.0
149.13255	13.5
151.11241	6.5
153.09077	6.1
155.08502	5.6
157.10153	14.7
159.11699	64.8
161.13260	28.8
163.14870	11.0
165.09135	6.5
171.11740	12.7
173.13208	35.6
175.14813	25.1
177.09050	10.0
177.16350	10.5
185.13223	7.5
187.14818	65.6
189.16389	50.1
191.14346	7.2
191.17940	10.9
193.15860	5.0
197.13335	6.5
199.14853	21.1
201.16399	84.8
203.17932	11.6
204.67088	5.2
211.81436	5.7
213.16373	26.5
215.17940	45.7
217.19615	6.2
219.17448	32.8
227.17807	6.5
231.17412	6.3
233.19020	5.5
235.16898	20.2
241.19531	8.7
247.16922	46.2
261.18555	20.0
267.21170	7.2
281.22726	5.5
311.23596	5.2
327.23157	5.2
341.24762	6.3
343.26324	6.3
351.22861	5.0
389.31989	26.4
407.33093	91.6
421.12021	5.7
423.32669	8.8
435.32614	62.6
453.33694	70.8
471.34683	19.7
520.21643	5.1
613.77405	6.2
651.36005	17.5
652.36188	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	651.41
Annotation	Quadranoside I
Peak:m/z	Relative Intensity
55.05507	12.4
67.05505	19.3
69.03420	7.1
69.07056	12.9
71.04984	4.1
71.15623	7.1
79.05489	15.8
81.03409	3.5
81.07067	37.4
83.04978	6.7
83.08597	6.8
85.02898	10.9
87.61629	2.9
91.05488	28.9
93.07047	57.2
95.04946	3.9
95.08598	69.3
96.92738	2.6
97.02856	4.6
97.10173	6.9
98.82233	2.9
103.05431	2.9
105.07040	47.9
107.08592	100.0
109.06497	6.6
109.10146	45.0
111.08099	22.6
111.17876	2.8
115.05451	3.0
117.07001	6.2
119.07787	4.9
119.08585	73.6
121.10141	47.7
123.08095	4.1
123.11695	13.9
125.09633	68.0
129.07042	4.2
131.08545	24.5
133.10141	53.5
135.11713	25.6
143.08548	13.5
145.10123	54.3
147.11690	31.1
149.13254	9.7
151.11157	7.2
153.09068	5.7
156.09407	4.5
157.10071	13.1
159.11685	49.7
161.13258	20.1
163.14751	14.5
171.11665	12.0
173.13248	32.2
175.14851	26.6
177.09077	3.9
177.16420	19.7
183.11577	6.5
185.13222	8.6
187.14825	65.3
189.16386	52.2
191.14287	7.0
191.17932	12.9
195.11639	3.8
197.13239	4.6
199.14845	22.4
201.16386	94.0
202.16632	4.0
203.17970	14.5
205.15895	12.3
213.16394	32.8
215.17978	38.1
217.15927	5.3
217.19423	4.3
219.17453	32.4
227.17894	5.8
229.19563	5.3
231.17424	6.1
233.19054	6.5
235.16904	10.7
241.19548	12.8
247.17000	32.4
249.18393	3.9
261.18604	17.2
267.21066	7.7
269.22485	5.6
275.20264	3.5
281.22473	4.0
327.23233	4.0
341.24741	9.4
343.26526	4.2
389.32031	25.2
395.29605	3.9
402.51434	3.4
407.33084	88.7
409.34650	6.8
423.32553	13.1
435.32614	59.7
453.33713	98.3
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
51.18029	0.4
52.21567	0.5
55.01902	0.5
55.05511	1.5
56.96570	0.8
57.03431	1.4
61.02936	3.9
67.05511	5.1
69.03427	3.3
69.07069	1.9
69.67642	2.1
69.68062	0.9
71.01322	0.7
71.04977	0.7
73.02911	3.1
79.05494	3.5
81.03420	2.0
81.07058	6.1
83.04977	1.4
83.08623	1.1
85.02912	4.4
88.27366	0.5
91.03973	2.6
91.05501	3.2
93.07048	4.6
93.13444	0.6
95.04962	0.8
95.08608	1.7
97.02888	4.0
97.06544	0.8
97.10134	0.5
99.04453	1.1
101.02378	1.2
105.07043	2.4
107.08609	3.6
109.02841	1.2
109.06547	0.7
109.10166	1.7
111.08073	0.9
115.03992	0.6
117.07050	1.2
119.08585	1.5
121.10159	1.5
127.03925	1.5
127.49181	0.4
131.08577	0.8
133.10109	1.3
135.11699	4.5
145.10115	1.3
147.04439	3.4
149.13266	0.7
151.09790	0.5
159.11729	0.9
175.14746	0.6
177.16415	0.6
187.14857	0.7
195.13863	1.6
221.11469	0.6
225.95805	0.5
235.13083	1.1
242.97163	0.5
243.08546	1.9
250.79427	0.5
267.09058	1.1
277.03360	1.0
285.10196	0.9
286.10507	0.7
423.32993	0.6
439.19397	6.7
453.21075	5.7
469.33182	0.8
487.34232	0.5
574.61609	0.5
651.33551	100.0
652.33551	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	651.2796
Annotation	Petasiphyll A
Peak:m/z	Relative Intensity
65.65504	0.7
67.05495	1.1
69.80986	3.7
81.07047	1.1
83.31442	0.7
85.81632	0.7
91.05468	1.7
93.07056	1.5
98.21430	1.4
105.07014	1.6
107.08618	1.1
117.06974	0.8
119.04953	0.7
119.08580	0.8
122.06062	1.3
133.10086	0.8
145.04997	1.1
147.04436	1.7
153.01767	0.7
159.06541	0.8
172.07315	0.8
176.06998	0.8
188.06818	1.6
221.10748	0.9
226.04878	0.8
235.12263	4.7
279.11163	1.1
289.09583	1.1
293.12564	2.1
303.10977	1.6
304.11981	1.0
311.13669	10.6
315.11154	1.5
316.11801	2.0
317.12704	1.3
323.12344	0.9
327.11877	1.2
329.13385	1.2
348.10806	1.6
349.11301	2.4
359.10007	1.9
360.10745	5.2
361.11505	2.0
363.12866	1.4
366.19406	3.5
367.11407	1.7
381.12939	1.6
394.18860	1.7
408.20566	0.8
410.17990	1.6
412.19714	0.8
421.12643	1.0
424.15005	1.4
426.16809	1.1
434.17764	1.1
436.14993	1.6
438.17355	3.1
442.19501	0.8
452.19562	5.5
453.19919	2.2
456.18619	7.3
468.17929	2.4
469.19421	1.2
482.16180	1.9
488.15994	0.8
496.17889	4.6
497.19202	9.4
498.19846	3.0
500.16748	2.4
520.19116	1.3
528.20905	1.9
532.19153	1.1
575.26282	13.2
591.25061	1.0
619.25122	100.0
620.24860	3.1
637.25458	5.1
651.27307	28.0
652.26947	1.0
669.27515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
55.05510	2.3
57.03423	1.5
61.02927	3.3
67.05507	5.7
69.03425	3.6
69.07072	2.6
71.05014	1.1
71.62162	1.2
72.06207	0.7
73.02925	4.0
79.05504	5.1
81.03423	2.2
81.07053	6.6
82.07425	0.9
83.08643	1.0
85.02897	4.3
91.03961	2.5
91.05480	3.2
93.07048	6.8
95.04980	1.0
95.08608	2.5
96.84482	0.8
97.02897	8.6
97.06534	1.3
97.10197	0.9
98.03228	1.1
99.04452	1.1
101.02403	1.7
105.07025	1.1
107.08580	4.9
109.10134	1.4
111.08097	0.8
119.04887	0.9
119.08610	2.1
121.10166	2.7
127.03938	2.1
132.69272	0.9
133.10182	1.8
135.11748	4.5
140.89392	0.8
145.10170	1.4
147.04446	1.8
149.13278	2.0
153.01813	1.7
159.11761	1.4
163.03966	1.4
183.03026	1.1
232.22850	0.9
235.12981	1.2
243.08313	1.9
351.12134	0.8
439.19363	8.0
453.21078	5.9
651.33484	100.0
652.34033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37352	0.2
55.05508	0.3
56.05038	0.8
57.07084	0.3
58.06602	0.5
60.08168	6.0
67.05510	0.5
67.38721	0.2
68.99035	0.2
69.23487	0.2
71.07374	2.7
71.61879	0.2
81.07043	0.3
83.62740	0.2
86.09711	31.2
91.05504	0.3
91.82461	0.2
95.08582	0.3
98.98470	2.8
104.10764	2.4
104.57665	0.3
105.07130	0.3
109.10157	0.8
125.00011	19.9
143.00996	0.2
170.22273	0.2
184.07350	100.0
185.07716	0.6
324.61069	0.2
342.00067	0.2
404.51422	0.2
412.20700	0.3
509.38785	0.3
650.43945	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	651.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	6.2
71.59902	0.5
71.95227	0.9
84.96000	0.6
87.41570	0.4
98.97583	82.9
110.97601	0.9
114.01894	0.4
116.98621	34.5
126.06776	0.4
127.03934	0.8
128.98558	0.9
134.99663	6.9
140.00172	0.9
143.00162	1.8
153.01826	1.3
155.76790	0.5
158.99654	37.0
161.01202	2.6
163.00700	0.4
164.97264	0.5
164.98572	16.8
170.99684	0.5
177.00714	31.5
179.02274	1.3
182.99661	72.1
183.03232	13.6
189.00777	0.6
195.01814	1.7
200.02394	0.8
201.00711	100.0
201.04329	17.1
202.01031	1.1
206.01207	1.2
219.01776	24.7
219.05383	1.6
224.02348	2.0
224.06042	0.8
225.00703	8.2
237.00760	0.6
237.02786	3.0
241.03868	0.6
243.01776	7.7
243.05414	17.7
249.00722	2.7
255.01624	0.6
261.00565	0.9
261.02954	0.6
261.06482	0.7
267.01791	2.6
269.03348	4.4
277.03448	0.5
279.04001	5.1
285.02887	2.6
287.04422	0.9
291.01700	1.2
297.02832	1.4
309.02829	6.4
327.03860	55.0
328.04379	0.7
345.04926	37.0
363.01605	1.7
363.09631	21.5
368.06485	1.9
381.10669	1.4
387.05978	62.4
388.06476	0.7
429.10599	3.6
447.08038	0.7
453.07053	14.3
466.28009	0.5
471.11523	1.0
489.12796	3.8
651.17767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.3944
Annotation	3-O-beta-D-Glucopyranosyl quinovic acid
Peak:m/z	Relative Intensity
53.03942	0.4
55.05505	1.0
65.03940	0.3
67.05505	2.0
69.03411	1.1
69.07056	1.7
69.89352	1.8
76.11927	0.3
79.05495	2.1
81.07059	4.5
83.04993	1.6
83.08615	0.8
85.02911	2.5
85.06526	0.6
91.05473	2.4
93.07056	4.5
95.04969	1.2
95.08614	6.6
97.02896	1.0
97.06538	0.9
99.68024	0.3
105.07026	10.3
107.08595	7.9
109.02892	0.5
109.06516	1.3
109.10168	3.5
111.08134	1.0
117.07037	0.8
119.08587	10.5
121.06494	0.7
121.10156	6.5
123.08048	1.2
123.11694	1.9
125.09634	0.6
127.03949	0.7
129.06969	0.5
131.08560	3.5
133.10136	8.2
135.08032	1.1
135.11655	2.1
137.05943	0.4
137.09700	0.3
141.06938	0.4
143.08565	2.2
144.09314	0.4
144.53452	0.3
145.05032	0.5
145.10135	5.8
147.04327	0.4
147.08090	0.9
147.11700	5.4
149.09641	1.1
149.13266	2.4
151.11244	0.5
153.09106	1.2
155.08575	0.9
157.10124	3.0
159.08018	0.8
159.11699	3.0
161.09647	2.2
161.13286	3.0
163.11192	0.6
163.14873	1.9
169.10153	1.0
171.11688	2.0
173.09601	0.7
173.13237	5.1
175.11243	1.5
175.14828	6.7
175.16251	0.6
177.12697	0.6
177.16400	1.3
183.11667	0.7
185.13287	1.3
187.11101	0.6
187.14821	5.2
189.12810	0.7
189.16386	15.6
191.14328	1.9
191.17987	0.5
197.13268	2.3
199.14850	3.7
201.12729	0.7
201.16388	1.2
203.14426	0.8
203.17953	0.5
205.15924	1.3
207.17484	1.1
211.14833	1.5
213.12782	0.3
213.16371	1.4
215.14340	3.0
215.17867	0.4
217.15884	9.3
219.17549	0.3
221.15549	0.5
225.16411	0.5
227.17873	0.8
229.15865	0.8
229.19583	0.4
231.17485	0.6
233.15334	1.6
235.17006	3.0
239.17978	0.5
241.19435	0.5
243.21017	0.5
244.36295	0.4
251.16451	2.0
253.19565	1.7
257.19025	1.1
261.14847	0.5
267.21185	0.6
271.20563	2.3
317.21109	0.8
331.71240	0.4
365.28629	0.4
405.31561	1.1
421.31107	0.6
423.32550	1.9
433.31519	0.5
441.33661	4.4
447.34003	0.3
451.32050	3.6
457.79343	0.4
469.33099	2.5
480.34702	0.4
487.34216	100.0
488.34555	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	649.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.1
57.07073	0.4
61.02895	0.3
65.03918	0.3
67.05510	1.8
68.52262	0.3
69.03429	1.9
69.07059	1.4
71.61007	0.3
79.05486	2.1
81.03422	0.8
81.07047	5.0
83.04989	0.9
83.08598	0.8
85.02905	3.5
85.06532	0.4
91.05495	1.9
91.86781	0.4
93.07047	4.8
95.04955	1.0
95.08605	6.7
97.02898	1.2
97.06528	1.0
97.10145	0.4
105.07020	6.7
107.08599	6.7
109.02876	0.7
109.06514	0.8
109.10159	3.6
111.08074	0.6
117.07014	0.8
119.08585	8.4
121.06530	0.9
121.10139	6.9
123.08051	0.9
123.11713	1.2
125.09602	1.0
127.03918	0.5
129.06993	0.8
131.08565	2.9
133.06430	0.4
133.10126	6.9
135.08022	1.0
135.11681	2.9
137.05969	0.8
137.09653	0.3
139.07509	0.6
141.07031	0.5
143.08589	1.7
145.04956	0.7
145.10139	5.5
147.08020	1.0
147.11691	5.4
149.09610	1.0
149.13246	1.4
153.09113	0.8
155.08507	0.5
157.10129	2.7
159.08023	0.5
159.11708	3.1
161.09622	2.4
161.13249	2.8
163.11174	0.6
163.14819	1.4
169.10129	1.1
171.11647	2.0
173.09666	0.8
173.13257	4.0
175.11261	1.7
175.14821	4.5
177.12732	1.0
177.16415	0.8
183.11739	1.1
185.13261	1.5
187.11157	0.9
187.14772	3.5
189.12769	0.9
189.14697	0.7
189.16367	7.0
191.14355	0.9
191.17967	1.8
197.13268	1.1
199.14803	2.5
201.12828	0.3
201.16397	0.7
203.14331	0.7
205.15881	0.5
207.11732	0.4
207.17477	0.5
211.14873	0.7
213.16434	1.1
215.14311	2.2
215.17993	0.4
217.15871	4.2
223.20915	0.4
225.16307	0.4
227.18011	0.8
229.15874	0.6
229.19484	0.6
233.15388	1.2
235.16995	1.8
241.19563	0.5
251.16409	4.4
253.19563	1.2
257.19138	0.6
271.20581	1.1
273.18549	0.4
283.20755	0.4
287.19992	0.5
317.21283	0.5
347.27255	0.4
365.28427	0.7
405.31424	0.8
423.32657	1.1
433.31024	0.6
441.33707	4.7
451.32037	1.7
469.33319	2.6
487.34192	100.0
488.34473	3.2
627.49933	0.4
662.18097	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	649.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
55.00521	0.9
61.45424	0.9
67.05495	2.3
69.07050	1.6
71.50838	1.5
72.77973	0.8
73.94498	0.9
77.03960	1.0
79.05495	1.1
81.07055	1.0
91.05492	6.3
93.07040	8.1
94.06531	1.3
95.04992	1.4
99.86098	0.9
108.08096	2.2
110.06075	1.5
111.08073	5.6
114.56332	0.8
117.07032	1.3
120.08075	1.0
121.06519	2.5
122.06050	7.2
124.07547	1.1
124.15070	1.0
132.08127	1.1
134.06056	1.3
134.09654	5.5
135.08061	3.4
136.07581	14.5
137.05928	1.4
138.05510	1.7
138.09154	1.1
140.07094	5.7
145.06375	1.1
146.05971	2.1
148.07605	4.4
150.09155	2.2
152.07008	2.0
152.10712	4.2
154.08662	6.2
160.07607	2.1
162.09154	36.6
163.07536	1.8
164.07112	6.2
166.08649	3.9
170.09599	1.4
171.09230	2.4
172.07596	1.8
173.10735	5.2
174.05435	1.1
174.09138	1.5
176.07089	1.6
176.10730	1.4
178.08615	1.8
180.10202	31.6
184.07536	1.0
185.10712	1.1
190.04971	1.2
190.08667	5.6
193.09517	0.9
199.08707	5.2
201.10219	5.8
204.06566	2.4
208.09697	74.4
209.10464	1.4
211.08682	1.2
213.10234	8.2
215.08177	6.3
215.11835	2.9
220.09673	2.4
222.11450	1.1
223.08618	1.5
223.12292	1.4
225.10254	2.8
226.08627	2.7
227.08081	11.6
228.08864	1.6
229.09697	1.2
231.11238	1.1
237.10222	2.6
237.13872	1.1
238.11014	1.8
239.08049	1.7
239.11748	5.3
241.09738	12.0
243.11269	14.9
243.13560	1.2
245.09227	3.3
246.07610	4.3
248.09354	1.5
249.10277	3.4
250.10962	1.4
251.11806	3.5
253.09769	1.9
255.11385	1.2
257.09256	3.9
259.10797	15.1
263.11902	7.5
264.12573	1.1
265.09741	3.9
265.13348	2.9
267.11310	4.5
269.09235	12.8
271.11264	0.9
271.14413	3.9
277.09683	3.0
277.13174	1.2
279.11301	22.1
280.12051	1.5
281.09213	2.0
281.12769	1.1
283.10733	1.7
283.14343	2.0
285.08594	3.6
285.12314	3.0
286.09500	1.5
287.10266	100.0
288.10672	1.7
291.11264	3.8
293.09183	2.5
293.12808	2.4
295.10773	4.7
296.11545	1.2
297.12241	11.8
298.13123	3.0
303.13358	1.0
309.12372	10.9
310.12994	2.8
311.10178	3.5
311.13922	8.2
313.11780	2.9
319.13120	7.7
321.12277	1.1
323.13901	3.4
325.11838	3.5
329.11441	1.4
330.62656	1.0
335.10361	1.5
336.11172	3.0
337.11859	12.1
338.12625	2.7
339.09634	3.0
339.13284	12.3
341.14795	2.1
343.16730	1.4
344.10907	1.2
347.12439	1.2
353.11200	5.4
354.12186	1.1
355.12921	7.8
367.12802	1.7
368.13562	2.0
369.14496	5.8
370.15277	1.6
371.16013	7.8
387.15619	2.1
410.17023	8.7
416.16220	1.0
436.18454	1.2
442.17938	1.4
448.18475	1.2
450.20255	3.3
458.16782	2.4
460.18747	13.8
476.18115	9.7
478.19629	2.1
482.22726	1.2
490.19574	1.2
494.19241	91.3
495.19385	2.1
496.20554	2.0
508.20715	6.2
510.22330	2.3
512.20514	8.4
526.21881	74.8
527.21985	2.5
570.25232	0.9
573.27570	1.9
599.24969	10.1
617.16486	1.6
617.26074	22.6
649.28052	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	647.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05526	0.6
66.18271	0.4
67.05500	0.7
69.03445	0.6
71.61835	0.6
79.05478	0.6
79.40954	0.4
81.07068	1.2
91.05505	1.0
93.07053	1.1
95.04967	0.6
95.08624	1.1
103.58054	0.5
105.07054	1.3
109.10156	0.5
119.08566	0.7
121.10178	0.9
131.08470	0.6
133.10153	0.8
145.10117	0.5
146.75970	0.4
147.04422	0.6
179.14258	0.5
243.08484	0.9
332.18942	0.5
429.26132	1.9
485.28781	2.0
487.24078	0.5
571.36157	0.5
647.34009	100.0
648.34216	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	649.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95921	1.2
51.18122	1.3
53.03948	1.8
54.04252	1.2
67.05535	1.7
69.03428	1.4
69.07056	1.8
69.29136	10.3
77.22454	1.0
81.07059	2.4
83.08575	1.3
84.08160	1.2
85.02944	1.2
90.40790	1.2
91.05483	6.9
91.29201	1.0
93.07038	7.8
94.06566	2.4
95.04961	2.4
95.08602	1.6
105.07010	1.5
108.08118	2.9
110.06031	1.2
111.08093	6.8
117.07034	1.7
119.08537	1.7
120.08148	1.3
121.06474	1.9
122.06033	4.8
127.03913	31.4
134.09660	6.6
135.08080	2.5
136.07567	12.0
137.05931	1.9
140.07066	7.3
144.08034	1.3
145.06435	1.5
148.07568	4.0
150.09157	2.6
152.06961	1.2
152.10730	5.3
154.05074	1.5
154.08615	5.4
158.98647	1.3
160.07570	2.6
162.09148	45.2
163.07545	3.6
164.07031	2.7
166.08672	5.3
170.09659	1.3
171.09230	2.0
173.10765	4.9
174.05510	1.4
174.09207	2.2
178.08597	2.1
180.10191	35.4
190.08685	7.1
197.10652	1.3
199.08696	5.9
200.09447	1.6
201.10236	4.5
204.06453	1.4
208.09692	95.3
213.10255	6.8
214.08762	1.6
215.08173	3.7
215.11766	1.6
218.08153	2.2
220.09702	3.7
222.11531	1.3
225.06641	1.3
225.10248	2.8
226.08765	1.5
227.08141	16.1
228.08891	2.0
229.09810	1.8
239.08136	2.1
239.11862	1.8
241.09714	14.5
243.11287	13.9
245.09303	3.6
246.07513	3.5
253.09677	3.8
255.11375	1.4
257.09268	1.8
259.10803	20.8
263.11838	1.9
265.09634	3.1
267.11292	3.3
269.09207	14.8
271.14438	3.2
281.09149	2.2
283.10754	2.6
285.08658	5.5
285.12149	2.1
286.09329	2.6
287.10272	100.0
288.10651	1.8
293.09311	2.2
295.10852	4.1
301.11670	1.4
305.11502	1.4
311.10278	4.1
312.08426	1.9
313.11771	4.3
319.12924	15.2
325.11835	2.0
330.09610	1.6
331.12781	1.5
331.16943	1.3
337.11899	2.9
339.09747	6.4
341.10837	1.8
345.14508	1.8
353.11395	8.9
354.11926	1.7
355.12845	3.3
392.16080	1.9
410.17130	20.9
442.19775	4.6
448.18842	3.1
450.20416	2.5
458.17389	2.9
476.18210	6.7
478.19687	1.3
494.19260	66.7
508.20462	4.7
512.20160	5.3
526.21851	85.0
551.23010	1.2
599.25098	6.7
617.26086	21.5
631.26636	1.8
649.28467	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	647.3075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.3
62.24860	0.7
66.68330	0.7
67.05503	3.1
69.03431	1.9
69.07064	1.2
71.61148	0.9
78.94095	0.7
79.05483	1.8
81.03426	1.5
81.07053	3.1
83.04971	0.9
83.08595	1.1
85.02907	1.6
91.05487	3.1
93.07041	1.8
95.04977	1.5
95.08609	2.7
97.02895	1.7
98.21053	1.2
99.80238	0.7
103.05492	1.0
105.07021	2.7
107.08582	2.7
109.06513	1.5
109.10191	1.5
117.07014	0.7
119.08576	3.1
121.10138	2.3
121.70393	0.7
122.06033	0.9
124.07609	2.2
127.03928	1.3
131.08574	1.8
133.10184	2.3
134.05981	0.9
135.11693	1.6
136.07533	1.1
138.09138	1.9
143.08589	0.7
145.04991	0.8
145.10121	1.8
146.06013	2.1
147.04485	1.1
148.07549	0.8
152.07088	3.2
161.13330	0.9
166.08669	1.0
167.07108	1.5
172.03920	3.0
173.13274	1.8
174.05515	1.3
175.14777	1.0
176.07080	2.2
187.14859	1.2
190.05005	1.2
194.08205	2.6
197.13316	1.1
204.06540	1.9
211.12402	1.3
225.10236	5.1
226.10979	0.8
227.11775	2.9
236.09486	0.8
237.10304	2.1
238.10884	1.4
239.11812	2.8
240.12665	1.8
241.09763	0.8
249.10326	2.3
251.11798	3.0
253.09706	10.9
254.10410	0.9
263.11771	1.8
264.08807	1.2
265.09726	6.7
266.10422	3.7
267.11383	5.4
268.11938	0.8
269.12814	3.6
271.14337	1.2
277.09750	1.5
278.10770	0.8
279.11237	3.5
280.12021	2.1
281.12775	1.9
282.09921	1.3
283.10785	3.2
283.14246	1.2
284.11539	2.2
285.12430	1.5
287.05527	2.7
287.13828	3.0
288.05908	2.4
289.06171	1.5
291.11304	1.2
293.09256	16.8
293.12592	1.2
294.10034	17.8
295.10797	12.4
295.14075	1.1
297.12311	11.1
298.85919	0.7
299.13986	1.7
307.10873	1.2
307.14548	1.4
308.11343	1.4
309.12317	38.2
310.12903	1.4
312.11072	4.2
313.11938	2.6
313.15616	1.0
315.13394	2.2
323.13904	1.7
325.11948	2.8
327.13354	14.7
328.14182	1.6
329.15048	1.2
330.16043	1.4
331.16888	1.7
335.10220	1.9
336.11160	1.1
337.11597	1.4
339.13461	7.5
340.14218	2.2
341.15033	2.8
342.12302	1.1
344.17715	1.1
351.13452	12.5
353.11389	3.2
354.12134	3.4
355.13480	1.2
358.15350	1.6
367.13043	8.1
368.13867	1.3
369.14450	100.0
370.15024	2.5
384.13571	1.9
385.14139	2.1
386.14767	1.6
398.15030	2.5
399.15921	6.9
400.16495	7.4
401.11951	1.8
401.17096	28.4
414.18243	1.7
417.16629	1.3
418.17621	2.0
440.16315	1.2
452.21628	2.0
458.17273	6.5
459.18311	4.1
460.18610	1.2
467.31723	7.1
485.32877	6.5
490.19647	1.2
492.21353	31.1
493.22073	19.2
506.19052	2.2
510.22266	1.0
524.23889	10.6
525.24689	3.0
565.24664	1.6
583.25610	27.6
584.25928	1.0
615.28259	3.8
647.38971	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	647.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76287	0.3
53.03937	0.8
55.01880	0.4
55.05500	1.0
56.96554	0.2
57.03437	0.5
62.70465	0.2
62.87168	0.2
64.59682	0.2
67.05509	1.8
69.03439	1.7
69.03744	0.3
69.07064	1.3
71.04981	0.9
71.62028	0.4
79.05515	1.7
81.03423	2.6
81.07054	3.5
83.04988	0.6
83.08610	0.5
85.02904	1.7
85.06508	0.3
91.05472	2.4
93.07041	1.8
94.06577	0.3
95.04967	0.6
95.08608	3.5
95.34097	0.2
97.02893	0.8
97.06535	1.0
97.10154	0.3
99.04449	0.8
105.03396	0.6
105.07035	2.1
107.04930	0.4
107.08593	1.1
109.02876	1.7
109.06520	0.7
109.10159	0.9
110.06101	0.2
111.08105	0.6
117.07001	0.4
119.04972	0.3
119.08602	1.9
121.06521	0.6
121.10123	0.6
122.06043	0.7
123.04509	0.3
123.08084	0.6
124.11252	2.5
125.11524	0.6
127.03921	100.0
128.04294	0.5
129.07019	0.3
131.04890	0.3
131.08542	0.4
133.06464	0.4
133.10121	1.5
135.04425	0.4
135.08060	0.7
135.11693	0.7
136.07603	0.7
137.05998	1.6
137.09677	0.3
137.13289	0.3
138.05441	0.3
140.07060	1.1
145.10133	0.3
146.06003	0.6
147.04431	0.7
147.08060	0.3
151.03850	0.7
151.07550	0.8
153.01790	1.4
161.09628	0.4
161.13249	2.1
162.09190	1.0
163.03912	0.5
163.07550	0.5
167.07062	1.0
172.04013	0.3
174.05492	0.4
179.14351	1.9
180.10229	0.8
181.05022	0.5
197.15376	0.8
198.09140	0.7
199.14992	0.3
203.14412	0.3
204.06654	0.4
206.08139	0.6
207.13832	0.3
208.09715	1.8
211.08553	0.3
215.11922	0.6
225.14850	0.4
227.11789	0.6
237.14856	0.5
239.11829	0.3
241.09708	0.4
243.11340	2.7
253.09706	0.4
255.11357	0.4
265.09808	0.3
269.12836	1.1
285.12299	2.4
287.05597	0.6
287.13855	0.7
287.16602	0.5
301.11926	0.5
303.13425	2.7
305.17453	1.7
313.11890	0.5
319.08075	0.3
323.18506	2.4
341.19675	0.9
353.11557	0.3
374.15164	0.3
408.15378	0.5
446.17358	0.3
456.15732	0.3
474.16763	1.0
475.17587	0.3
476.17944	0.4
492.17499	0.5
506.18799	0.8
524.20709	0.4
571.25671	0.3
597.23615	1.1
615.24445	4.9
629.26147	0.4
647.26477	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
55.05503	1.9
56.96569	2.3
58.09839	1.2
67.05494	4.7
67.06878	1.7
69.03423	2.2
69.07057	5.7
69.40395	11.0
78.27509	1.2
79.05480	2.6
81.03400	2.9
81.07039	5.5
83.08623	1.4
85.02892	3.5
85.06539	1.4
91.05469	10.5
93.07041	12.6
94.06537	4.5
95.04987	6.3
95.08600	3.6
97.02897	1.8
97.06529	1.7
103.05433	1.2
105.07021	5.3
106.06612	1.4
107.08567	3.3
108.08109	4.2
109.10118	2.0
111.04459	1.3
111.08079	6.8
117.07016	3.5
119.08553	3.9
120.08090	3.2
121.06474	3.6
121.10120	2.8
122.02397	2.3
122.06012	4.3
124.07604	1.9
127.03921	2.8
131.08569	2.6
132.08173	1.4
133.06454	1.4
133.10129	2.5
134.06085	3.0
134.09668	7.4
135.08047	5.5
135.11707	1.5
136.07578	10.8
137.05960	2.3
138.09109	2.8
139.07480	2.3
140.03394	4.8
140.07065	2.8
143.08517	1.5
144.08070	1.8
145.10097	1.8
146.06058	2.1
147.04398	1.8
147.11681	1.7
148.03941	2.8
148.07593	2.3
150.05606	1.4
150.09192	1.9
151.07489	2.0
152.07091	2.9
152.10698	3.4
154.04973	5.8
154.08614	3.7
162.05443	2.4
162.09143	38.4
163.07506	3.5
163.11150	1.4
164.03444	1.7
164.07076	2.4
165.09084	1.9
166.08708	1.6
167.07063	3.2
173.13245	1.9
180.10191	32.5
184.07504	2.0
190.08601	7.3
191.07027	1.5
197.05910	1.9
199.08653	3.0
199.12341	3.9
201.10109	1.3
204.06441	1.7
208.09700	92.8
209.10765	1.7
210.09242	1.6
211.08679	10.6
212.09406	2.9
213.10257	3.0
222.07837	1.4
223.12297	1.7
224.09369	1.6
225.10245	7.4
226.10939	1.7
227.08286	1.9
227.11787	30.6
229.13026	1.6
237.10237	5.4
238.08617	1.4
238.10878	2.3
239.11853	3.1
241.13333	2.3
249.10251	2.8
251.08116	2.4
251.11913	3.6
253.09697	5.2
255.11319	3.7
259.18018	1.5
264.08597	1.3
265.09775	6.3
265.12827	1.3
266.10434	1.6
267.11249	6.5
269.12848	38.8
271.06009	2.2
271.10852	3.5
272.06354	2.9
273.12436	2.4
279.11264	9.7
281.09103	1.5
283.10779	4.9
284.08963	2.1
285.09985	1.4
285.12402	13.0
286.13092	5.4
287.13892	33.1
290.12915	2.0
293.09158	13.1
293.12476	2.6
295.10806	1.4
297.12253	5.3
301.11826	4.4
303.13574	1.9
309.12286	2.9
311.10226	13.1
312.08679	5.6
314.12845	2.0
316.14532	2.0
318.12250	2.0
321.12311	4.3
323.13864	1.9
323.67688	6.6
325.11783	4.8
327.13431	2.9
329.11386	9.7
330.09583	5.6
332.13745	1.6
337.11789	2.1
338.12512	1.8
339.13382	13.6
342.12305	2.4
343.13034	3.4
344.11057	4.8
345.11655	1.6
347.12442	12.7
348.13373	1.5
355.13400	1.7
356.13864	1.8
358.11539	1.9
360.13275	2.3
361.13910	11.6
362.14880	3.3
365.11310	1.9
367.12976	6.0
368.13745	1.7
370.11783	1.7
372.13477	2.2
378.14230	1.6
388.12836	8.3
389.13455	1.5
390.14404	7.2
398.14700	1.8
406.13828	5.4
407.14459	1.6
408.15430	14.6
416.16177	2.2
428.15945	1.8
440.18030	3.7
442.13989	1.9
446.17010	1.4
467.32065	6.2
474.16550	1.9
476.18042	2.4
485.32666	8.6
492.21158	10.6
506.18982	5.0
524.23474	4.5
571.25378	2.9
579.22516	9.5
580.21057	2.0
597.23499	20.4
598.21930	1.9
611.24554	4.1
615.24414	100.0
616.24713	2.9
629.25677	5.1
647.26355	25.7
647.35779	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	647.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01885	2.2
55.05508	2.1
56.96566	1.7
65.03951	1.7
67.05504	4.7
67.33479	1.4
69.03414	2.8
69.07064	5.2
69.41123	7.8
69.41537	3.2
70.06624	1.3
71.57180	1.3
77.03919	1.6
79.05482	3.9
81.03433	2.7
81.07047	4.9
83.04985	1.8
85.02924	3.4
86.09689	1.4
91.05487	13.0
92.04972	1.6
93.07048	12.8
94.06556	3.3
95.04964	4.6
95.08608	3.7
97.02872	2.5
99.04445	1.4
105.04494	1.3
105.07030	5.3
106.06536	2.4
107.08589	3.7
108.08100	3.6
109.06528	2.3
109.10185	2.0
110.06088	1.8
111.08067	8.3
115.05415	1.5
117.07012	2.1
119.08595	3.4
120.04476	1.7
120.08096	3.8
121.06528	2.2
121.10103	2.2
122.02396	1.9
122.06023	5.6
123.04446	1.5
123.08035	1.6
124.07616	2.2
127.03876	2.2
129.07095	1.5
133.10107	3.3
134.06007	2.7
134.09622	6.9
135.08049	4.2
135.11687	1.9
136.07568	11.1
137.05984	2.5
137.09583	1.5
138.09180	3.5
139.07584	1.6
140.03433	4.3
140.07068	2.0
143.08589	2.1
145.06497	1.7
145.10107	1.8
146.05994	2.6
147.04442	1.6
148.07579	2.6
150.09125	2.1
152.07111	3.7
152.10738	4.1
154.05002	5.6
154.08621	2.0
156.07973	1.2
159.11794	1.5
160.07571	1.9
162.05478	1.9
162.09149	36.0
163.07568	3.3
164.03351	1.5
164.07068	3.1
166.08694	1.3
167.07071	3.1
172.07570	2.5
173.13232	1.7
176.07004	3.1
178.08626	1.8
180.06598	1.7
180.10194	35.7
184.07375	4.2
186.09152	2.1
190.08685	5.3
197.10793	2.8
199.08676	3.9
199.12361	4.5
201.10309	1.6
204.06592	1.4
208.09688	84.0
210.09270	2.2
211.08676	10.8
211.12140	1.3
212.09451	3.5
213.10208	3.6
215.11893	1.6
222.11528	1.2
224.09445	2.6
225.10236	6.1
226.11014	2.8
227.08310	2.3
227.11780	32.4
227.13913	2.3
237.10239	4.7
238.10904	1.9
239.11813	4.4
241.09758	1.7
242.30138	1.3
248.09311	2.3
251.08189	2.8
251.11768	3.9
253.09706	7.8
255.11360	2.5
256.09558	1.5
257.09311	1.6
265.09769	5.3
265.13522	1.4
266.10388	1.4
267.11258	8.0
269.12869	36.8
270.07611	1.9
271.10742	3.7
272.06424	2.0
277.09753	1.8
279.11273	19.3
281.09283	2.4
283.10764	4.6
284.09137	2.0
285.12344	11.8
286.13116	4.0
287.10846	2.3
287.13907	31.3
290.12946	2.0
293.09253	13.5
293.12500	2.5
297.12518	7.4
297.17459	1.5
299.13983	1.3
299.18964	1.7
301.11847	5.0
302.10144	1.9
303.13467	2.7
309.12250	1.8
311.10269	13.8
311.13678	2.4
312.05222	1.5
312.08337	6.2
313.11838	2.1
314.13458	1.6
318.12210	1.4
320.13632	1.7
321.12302	2.9
323.67728	9.6
325.11761	2.9
327.13519	4.5
329.11221	8.6
330.09351	6.7
337.11935	3.1
338.12534	1.8
339.13425	17.5
341.12018	1.3
343.12869	2.9
344.10895	6.3
346.11765	1.5
347.12408	11.1
348.13113	1.8
354.12161	1.7
358.11877	2.1
360.13367	1.5
361.14008	9.2
362.15057	3.1
365.11377	2.1
367.12912	5.7
368.13882	1.9
371.16208	1.6
372.13373	2.1
383.19058	1.7
388.12772	6.9
389.13803	1.9
390.14508	8.1
398.15121	1.8
399.15143	1.3
406.13940	3.8
408.15576	14.7
412.16821	1.6
414.14575	3.1
416.15927	2.4
438.16388	2.5
440.18375	2.2
456.15842	2.3
458.17426	2.1
460.18652	4.9
467.31534	5.4
476.18396	3.4
485.32773	8.5
491.19803	1.8
492.21451	9.9
506.19153	5.4
524.24036	6.1
579.22443	8.7
597.23456	19.7
611.24744	3.6
615.24414	100.0
616.24548	2.9
629.25781	4.2
647.26678	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01874	0.6
56.96566	0.6
58.58824	0.5
62.53123	0.5
65.03926	1.8
67.05508	1.4
69.00135	0.5
69.03423	2.1
71.61607	0.6
71.61967	0.6
78.04705	2.5
79.05482	3.9
81.03413	1.2
81.07059	1.7
85.02901	0.9
85.06527	0.7
91.05486	5.2
93.07038	1.4
94.06576	1.3
95.04954	2.4
95.08612	1.5
97.02882	0.9
97.06488	0.6
103.05448	2.1
105.03387	0.7
105.07023	5.7
106.04162	1.2
107.04955	7.9
109.02860	1.1
109.06512	1.1
109.10176	0.8
115.05444	3.5
117.07027	2.2
118.01001	0.5
119.04929	1.6
119.08519	1.2
121.06516	3.1
122.03669	0.6
122.05995	2.7
123.04428	6.8
123.11710	0.6
124.05190	2.8
124.11235	10.4
125.06015	1.7
125.11572	2.5
127.03900	3.5
128.06224	1.3
129.07007	2.6
131.04912	3.1
131.08580	2.2
133.06516	4.6
133.10126	1.4
135.04425	0.6
135.08073	1.4
135.11699	1.4
136.05185	1.0
136.07559	1.1
137.05980	3.4
138.05510	1.2
140.07066	2.2
141.06985	1.3
143.04956	0.6
143.08539	0.8
144.05702	2.5
145.06471	4.7
146.03612	0.7
146.06030	2.2
147.04378	3.1
149.05991	1.8
151.03880	1.5
151.07562	2.0
152.04678	2.1
153.01825	1.4
153.05472	1.7
155.06059	1.0
155.08682	0.5
156.05692	1.1
157.06480	1.7
159.08032	4.3
159.11743	0.8
161.05981	5.8
161.09627	1.0
163.07539	2.6
165.05508	1.0
167.07043	100.0
168.07455	1.1
170.09593	0.7
171.08119	0.8
172.03889	1.4
172.05222	1.4
173.06000	3.1
174.05559	0.7
175.07518	1.1
177.05490	1.6
178.06329	3.4
179.07137	1.2
181.04990	5.1
181.08598	9.3
183.06593	1.1
183.08084	0.8
187.07509	4.0
189.09084	1.3
191.07027	1.8
192.07706	0.9
193.08620	10.3
193.10248	0.9
194.07283	1.5
195.08109	1.2
198.09122	3.4
199.07542	0.8
203.06982	1.1
204.06395	3.1
205.06689	1.1
205.08621	3.5
206.08127	1.3
207.08258	0.9
207.10258	0.7
208.07219	0.9
208.09160	0.9
209.09683	1.0
211.07452	0.8
215.08513	0.7
215.11838	3.4
217.08615	4.7
218.07259	1.7
219.08228	1.1
219.10045	3.3
220.08746	0.7
221.09668	1.6
223.09598	8.3
225.07370	0.8
225.09239	0.6
226.08601	0.6
227.11798	1.2
231.08034	0.8
231.10187	1.8
232.08769	0.8
233.09598	2.5
235.07484	1.7
236.08348	0.8
239.11951	0.8
241.08699	0.9
243.11317	14.7
247.07603	1.2
248.08350	0.9
249.09061	2.0
249.11285	11.7
251.10832	1.2
253.08734	0.8
255.11382	2.7
257.12589	1.0
260.08334	0.8
261.09055	2.8
263.07108	1.2
263.11722	0.7
264.08194	0.6
265.08905	1.1
265.12317	1.0
267.10449	0.9
269.12531	0.9
277.08701	1.9
278.09430	1.7
279.10580	1.1
281.11795	1.9
283.10541	0.8
285.12354	15.2
287.05444	0.7
289.08405	0.8
290.09613	0.6
293.08423	0.9
293.11801	2.0
295.09793	1.6
296.10464	0.7
297.11804	0.7
301.11481	2.7
303.13412	13.3
306.09088	1.0
307.10062	0.8
309.11240	1.2
311.12790	2.5
313.11703	1.9
321.11234	3.2
321.19534	0.7
323.09509	0.7
325.11450	1.7
325.14554	1.7
327.12546	1.2
336.11093	0.7
339.12363	4.8
340.12537	0.7
341.14264	1.1
343.15616	5.4
345.14337	1.3
353.14075	5.0
359.14993	1.1
361.16519	22.6
371.15015	12.7
385.16269	2.5
389.15884	4.7
398.15771	0.7
403.17709	0.6
421.30801	0.8
439.32324	0.6
458.17133	0.9
467.31866	0.7
474.16351	1.3
476.18356	0.8
485.32880	3.6
490.19748	0.8
492.17953	0.8
506.19351	1.0
508.20456	1.2
524.20221	1.1
579.22290	1.0
597.23468	1.7
615.24536	3.4
629.26416	0.9
647.19385	2.5
647.28058	1.2
647.36414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.4
52.02491	0.3
53.03939	1.6
55.01871	0.6
55.05517	3.4
57.03430	1.0
57.07077	15.5
60.84570	0.3
67.05160	0.6
67.05505	8.5
69.03416	0.4
69.07071	4.7
70.27029	1.2
71.04980	0.7
71.08634	11.3
75.04475	1.4
79.05498	4.6
81.03420	34.5
81.07059	10.7
82.03765	0.3
83.05014	1.6
83.08620	10.4
85.06516	0.6
85.09698	0.5
85.10179	6.4
87.04495	0.3
88.92149	0.3
89.06030	1.1
91.04955	0.4
91.05482	6.0
91.06032	0.2
93.07048	2.4
95.04971	8.3
95.08033	0.7
95.08611	9.5
97.02895	0.8
97.06547	0.5
97.10163	2.5
98.21407	0.4
99.08127	0.5
105.06366	0.6
105.07034	8.4
106.07340	2.3
107.04939	2.2
107.07745	0.4
107.08553	1.6
109.06535	0.7
109.10154	4.8
111.04446	0.5
111.08070	2.1
115.05420	0.9
117.07000	0.4
119.08584	4.2
121.06496	1.2
121.10115	2.0
122.06824	0.4
123.11712	1.3
124.01582	0.4
128.06255	0.4
129.07005	3.5
131.08580	3.3
131.89882	0.3
133.06496	1.2
133.08617	0.3
133.10133	1.7
137.09612	0.5
137.13248	0.4
142.07813	1.0
145.10130	0.5
147.08073	1.0
147.11690	2.6
149.09615	1.4
157.10124	2.7
165.12776	0.5
175.11179	2.5
193.12256	8.2
193.14011	0.5
236.16479	4.2
239.23660	2.7
249.14912	2.1
267.15967	2.0
282.27945	1.3
313.27164	1.5
316.18356	0.8
385.27719	0.3
420.24741	1.1
421.24918	0.5
467.57993	0.4
505.38901	100.0
506.39114	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	646.3799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.3
55.05514	7.6
56.46946	1.0
57.03440	10.8
57.07056	1.5
61.02930	2.2
67.05158	2.1
67.05506	33.2
69.07077	12.0
71.01375	2.2
71.04992	2.8
71.61083	1.8
79.05504	24.5
81.03437	2.1
81.07059	32.5
83.04988	7.6
83.08611	6.3
83.93357	1.1
85.02930	3.5
85.06534	2.8
86.81150	1.3
91.05486	12.6
93.06453	2.4
93.07050	40.9
95.04972	3.2
95.08611	8.3
97.02908	1.2
97.06516	7.0
97.10169	4.6
97.30319	1.2
99.08107	2.2
100.33289	1.1
105.07037	4.7
107.05010	1.3
107.08603	21.2
109.06498	1.3
109.10179	2.8
111.08085	4.4
117.07037	5.7
119.08612	3.7
121.10134	9.1
125.00021	2.1
125.09763	1.4
127.03846	1.1
127.34746	1.2
131.08549	2.5
133.10182	3.7
135.11700	24.7
144.21075	1.1
145.10133	4.6
147.11766	1.2
149.13263	9.9
153.12642	1.7
159.11684	6.0
163.11203	3.5
177.12749	1.9
181.12265	3.6
184.07388	5.1
195.13850	3.6
255.15923	34.4
269.17499	27.3
431.27420	1.3
449.28998	100.0
450.29526	2.0
462.08740	1.5
533.59296	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
54.90454	0.8
55.01860	2.3
55.05513	6.8
57.03223	0.7
57.03442	7.9
57.07070	1.9
59.34002	0.7
61.02917	2.5
67.03501	0.8
67.05167	1.5
67.05511	28.0
69.06725	0.9
69.07075	11.0
70.88286	1.7
70.88641	0.9
71.01357	1.3
71.04993	2.4
73.02923	1.3
73.04414	0.7
79.05058	1.3
79.05500	25.0
81.03424	3.9
81.07062	29.2
83.04980	6.5
83.08624	6.6
85.02903	2.5
85.06525	2.2
86.09737	1.3
91.03952	1.2
91.05486	13.0
93.06456	1.7
93.07050	33.2
95.04958	3.5
95.08100	1.0
95.08620	9.4
97.02857	1.2
97.06541	6.7
97.10150	3.0
99.08134	0.9
105.07057	4.3
107.04955	1.5
107.07948	1.4
107.08605	18.4
109.10158	3.3
111.08073	3.1
117.07019	2.8
119.08593	3.0
121.06530	1.3
121.10157	6.5
123.11715	1.7
125.09602	1.2
131.08563	3.0
133.10155	5.5
135.10681	1.1
135.11702	22.5
145.10112	4.0
149.13278	5.5
153.12726	1.8
159.11684	2.9
163.11172	2.5
164.29579	0.8
177.12752	1.2
181.12244	4.2
184.07358	2.2
195.13840	3.8
251.86612	0.8
255.15932	29.0
265.82147	0.7
269.17514	18.2
292.11301	0.8
356.90823	0.8
449.29010	100.0
450.29333	2.2
471.15649	0.8
502.90039	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.93502	3.1
67.05496	8.6
70.06593	5.8
72.08109	3.7
77.01583	3.2
79.05486	9.1
85.02884	5.0
91.05487	10.9
93.07043	14.1
94.06580	20.3
94.07171	4.0
95.07343	11.8
96.08141	26.3
97.02895	5.2
108.04476	4.0
108.08120	35.0
110.09685	49.4
116.04997	4.2
116.98607	3.3
118.06511	3.8
119.04872	6.1
120.04499	8.0
120.08103	45.6
122.06048	25.7
123.08014	3.7
124.07603	18.0
124.11219	7.8
127.03891	6.3
132.08119	4.4
136.07587	25.5
138.05516	8.0
138.09138	66.7
140.06999	3.5
144.04477	11.7
146.05984	7.1
146.09642	4.0
147.04416	10.1
148.07578	34.0
150.09169	10.5
152.07085	13.0
160.07625	6.2
162.05531	4.8
163.07553	3.3
163.35307	3.3
166.08644	100.0
167.07034	5.4
172.03951	42.3
175.03740	3.7
178.08574	4.8
190.05009	18.6
191.06999	3.9
192.10204	6.2
199.12314	5.2
204.06590	53.8
209.10736	5.1
211.12360	8.0
213.10187	9.1
215.11865	12.4
218.08171	6.2
220.09750	16.4
220.42358	3.6
222.11438	4.3
223.12283	6.5
225.10248	12.3
227.11797	12.7
229.09744	15.1
229.13383	10.0
234.34212	3.9
237.10300	10.0
238.11015	10.2
239.11809	21.1
241.09724	12.5
241.13565	4.4
245.12923	10.6
246.07681	8.5
248.09558	4.9
249.10339	12.3
250.11015	8.9
251.11861	14.3
253.09813	6.0
253.13248	5.2
255.11266	30.2
256.11987	5.7
263.11786	28.8
264.08881	12.6
264.12628	11.2
265.09634	9.9
265.13391	12.1
266.10483	5.7
267.11316	22.5
269.13019	5.6
271.14340	8.3
272.11682	12.8
273.12253	8.8
277.09677	8.9
278.10446	5.3
279.11374	30.4
281.09738	4.4
281.12711	17.0
283.10794	4.5
285.12302	29.1
289.15506	13.0
291.11374	23.9
292.12112	7.8
293.10013	3.6
293.12668	18.1
295.10944	4.0
295.14374	4.4
297.12341	42.7
298.13022	4.0
299.10629	3.6
299.13696	6.6
309.12317	28.1
310.13013	4.6
311.13904	6.1
319.10745	20.9
321.12463	8.1
323.13959	3.8
325.11914	28.3
327.13220	8.0
337.11865	76.0
339.13437	11.4
357.14377	15.5
371.15894	11.2
393.11993	3.8
394.17661	8.3
404.19626	11.6
406.17697	3.8
418.17068	4.6
430.17627	13.1
442.18176	4.9
448.18753	68.0
449.19388	10.1
450.20175	40.8
460.18750	20.7
462.20245	10.1
476.18491	4.5
480.21283	26.0
480.27289	4.2
490.19778	39.2
492.21219	7.0
522.22577	4.0
567.25769	6.9
585.27234	19.7
595.25287	18.4
613.26605	98.2
645.19434	5.9
645.28833	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	645.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.6
54.77371	0.8
55.01881	1.0
61.59657	0.8
65.03950	2.0
67.05505	4.2
69.59240	2.2
69.59641	5.4
73.31539	0.8
79.05492	4.3
80.05021	1.8
81.03404	1.3
81.05803	0.9
81.07056	1.5
82.06576	2.2
91.05483	3.7
93.05770	1.9
93.07051	9.2
94.06573	12.1
95.04974	3.6
95.07343	8.0
95.08607	1.7
95.55204	0.9
96.08131	20.7
97.06505	2.2
99.01567	0.8
103.05471	2.5
105.05807	0.9
105.07056	1.6
106.06538	6.7
107.07346	2.5
108.04502	1.3
108.08121	28.1
109.08894	1.9
110.09682	35.5
116.04964	3.9
118.06561	2.6
119.08550	1.6
120.04459	6.3
120.08108	24.9
121.06474	2.2
121.08929	2.2
122.06035	16.0
122.09672	1.9
124.07591	16.1
124.19582	1.1
127.03945	1.1
129.06990	1.2
131.05095	0.9
132.04483	1.6
132.08122	3.3
134.06039	6.4
134.09671	1.1
136.07579	52.6
138.05502	1.6
138.09137	44.6
143.08546	1.3
144.04443	7.7
145.06367	1.0
146.06012	12.8
146.09656	1.5
147.06805	1.3
148.07573	29.5
150.05498	1.4
150.09151	8.1
151.06306	1.3
152.07071	30.8
153.01874	1.6
160.03920	2.1
160.07639	2.0
162.05502	4.2
164.05804	1.4
164.07072	9.6
165.07884	2.2
166.08636	74.9
167.07074	2.8
172.03938	38.1
172.07542	1.7
174.05547	2.2
174.09174	4.2
176.07082	5.5
177.05376	1.6
178.08649	1.3
181.04942	3.3
182.08189	1.8
183.09055	1.2
184.09892	1.1
185.10818	1.3
188.03651	1.0
189.09129	1.2
190.04973	26.3
191.07077	2.6
192.06772	1.2
194.08109	1.1
196.11325	1.2
197.10770	4.2
198.11531	6.2
199.12271	3.1
200.07066	1.2
204.06560	46.8
208.09995	1.5
209.08376	1.5
209.10724	4.5
210.09421	1.8
210.11465	10.9
211.08705	2.2
211.12283	16.3
212.09479	3.0
212.13013	6.1
213.10216	2.5
213.13818	1.7
217.08690	1.6
218.08148	3.4
218.81219	1.0
220.10117	1.1
221.10754	2.6
222.11501	2.4
223.08652	2.5
223.12280	17.3
224.09445	3.6
224.13013	2.2
225.10228	19.3
225.13602	4.6
226.10973	13.6
227.11787	10.3
229.09795	1.1
229.13374	4.3
233.10803	1.3
234.11574	1.2
235.08823	3.3
235.12227	6.2
236.09323	5.3
236.13132	1.8
237.10234	21.0
237.13881	3.1
238.10997	19.8
239.08150	1.2
239.11794	22.2
240.12534	2.1
241.09674	3.1
241.13409	3.8
243.11484	1.0
245.12993	1.2
246.07654	5.2
247.12503	0.8
248.09523	4.1
249.10208	15.9
250.11012	12.8
251.08246	3.2
251.11803	34.0
252.08974	6.1
252.12465	7.3
253.09715	5.4
253.13364	10.0
254.10614	1.1
255.11220	7.0
256.12030	9.2
257.12930	4.5
259.14441	1.3
261.10275	2.2
262.10986	7.5
263.08188	2.8
263.11780	40.6
264.08792	8.1
264.12515	9.6
265.09744	14.2
265.13370	18.1
266.10513	14.6
266.13727	1.8
267.11282	42.6
268.12094	4.2
269.12845	14.0
271.06097	7.8
271.10818	4.0
271.14413	15.0
273.12286	7.4
275.11801	1.6
277.09744	7.1
277.13351	3.4
278.10452	9.2
279.11282	66.6
280.12045	10.1
281.09702	1.7
281.12827	22.0
282.09946	3.2
282.13565	2.9
283.10773	11.8
283.13995	2.2
284.11530	20.4
285.12326	70.9
286.12924	1.6
287.13910	4.6
289.15369	5.9
291.11285	27.0
291.14380	1.7
292.12048	8.3
293.09158	3.2
293.12805	24.6
294.10251	1.4
294.13394	2.0
295.10800	6.8
295.14041	2.1
296.11551	13.6
297.12335	95.2
298.13016	6.2
299.13937	14.8
302.16391	1.2
304.08484	1.9
307.10800	4.9
309.12332	42.1
310.13138	8.7
311.10281	12.4
311.13950	5.8
312.10913	3.9
313.11737	6.2
315.13562	1.4
316.14413	2.8
318.15961	1.4
319.10782	20.2
321.12360	29.6
323.10300	21.1
323.13910	1.9
324.10638	2.1
325.11816	42.8
326.12607	2.6
327.13394	21.0
329.15253	1.6
330.15970	2.8
331.16446	1.2
332.17307	1.4
337.11819	100.0
338.12399	5.1
339.13394	10.2
341.11386	3.9
342.15869	2.0
343.12967	4.2
344.13889	1.8
344.17499	2.5
346.19089	3.4
348.20792	1.3
351.13373	2.0
355.12946	2.8
356.14023	2.1
357.14453	14.3
358.15372	4.1
359.15936	4.9
360.17206	2.8
362.18756	2.5
367.12863	4.2
369.14471	6.3
370.15475	3.4
371.16092	3.0
372.17081	2.0
373.13892	3.6
374.18552	4.4
376.20227	3.5
378.21829	1.2
383.15033	1.6
384.17224	1.6
385.13876	4.0
386.14520	1.4
386.18808	1.3
388.16449	3.5
390.18207	4.4
392.19803	6.9
400.16577	3.7
401.16846	2.0
402.18082	7.8
403.19089	1.3
404.20010	8.7
406.17596	1.6
412.16599	2.7
414.18216	2.6
416.19678	3.4
418.17511	3.9
420.19196	3.2
421.20258	1.9
422.20782	5.3
424.16672	1.6
430.17706	18.6
431.18344	1.9
432.19214	13.9
433.19873	1.9
434.20508	1.7
436.18588	3.2
441.15308	1.3
442.17822	5.1
444.19113	3.7
446.21188	10.5
448.18646	63.8
449.19455	47.7
450.20233	42.0
458.17084	1.8
460.18680	42.0
461.19360	4.1
462.20206	8.7
463.20807	2.2
472.18567	4.0
473.17966	1.4
474.20255	12.8
476.18185	17.4
477.18924	16.7
478.19708	20.8
480.21490	3.1
490.19742	99.2
491.20486	19.1
492.21362	27.3
493.22107	6.1
522.22388	31.4
523.23029	12.7
524.24164	1.5
567.26233	4.5
571.25653	1.9
585.26959	1.7
595.25446	23.4
596.24774	1.1
613.26563	98.4
614.26703	3.5
645.28571	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	645.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
70.80478	4.4
70.80812	4.1
89.03857	2.5
93.06977	5.4
94.06578	10.6
95.07347	6.8
96.08142	22.9
103.05461	3.0
106.06584	7.3
108.08121	25.7
110.09685	31.5
120.04459	5.1
120.08122	24.9
121.08837	3.2
122.06030	14.1
124.07581	17.6
124.74175	2.7
134.06007	4.2
136.07591	44.6
138.09157	40.6
144.04401	6.7
146.06041	8.3
148.07587	23.5
150.09160	8.5
150.23961	2.5
152.07059	25.6
154.84187	3.1
162.05515	3.7
164.07114	7.9
166.08649	66.7
172.03943	30.2
174.05537	4.9
174.09137	5.3
182.09610	3.4
190.05005	25.3
197.10728	4.1
198.11533	5.1
204.06595	43.3
209.10870	5.0
210.11563	9.1
211.12222	14.8
212.09430	3.9
212.13065	4.5
213.10222	4.6
217.13629	2.9
218.08076	6.6
223.08670	3.4
223.12285	15.6
224.09651	3.4
225.10280	18.5
225.13857	3.9
226.11006	9.0
227.11829	6.6
235.12262	4.7
236.09460	3.9
237.10274	18.7
238.10938	14.1
239.11882	17.7
239.64867	3.0
246.07765	4.9
249.10210	14.2
250.10989	7.4
251.11801	27.1
252.08823	4.3
252.12552	8.4
253.09669	3.0
253.13420	8.7
255.11243	6.6
256.12088	6.1
257.12958	2.9
262.11078	5.6
263.11810	30.9
264.09055	7.1
264.12659	8.2
265.09985	13.9
265.13388	11.8
266.10559	11.8
267.11282	35.9
268.12119	3.2
269.12747	12.9
271.10983	3.0
271.14417	16.8
273.12381	8.7
277.09625	4.6
278.10562	4.9
279.11307	50.8
280.11972	11.5
281.12918	17.3
283.10745	14.4
284.11551	22.1
285.12350	63.4
289.15555	5.0
291.11322	19.3
292.11981	3.5
293.09616	5.0
293.12790	24.6
295.10886	7.1
296.11484	10.4
297.12329	88.9
298.13043	7.1
299.13910	12.2
307.10803	4.7
309.12344	40.6
310.13116	6.0
311.10190	10.0
311.13791	6.3
312.11011	3.9
313.11914	4.2
319.10693	21.4
321.12332	24.0
323.10306	21.0
325.11771	43.8
325.15387	4.1
327.13455	19.8
337.11841	100.0
339.13354	10.0
346.19113	4.4
355.12943	3.3
357.14441	10.7
358.15186	3.1
359.15958	4.5
367.12912	4.1
369.14478	6.8
370.15366	4.9
390.18085	4.4
392.19727	5.2
400.16464	3.5
402.18192	6.8
404.19656	7.8
412.16687	2.9
414.18063	3.7
420.19415	3.9
422.20615	4.6
430.17505	22.9
432.19247	13.7
442.17636	4.5
444.19284	3.9
446.20602	8.5
448.18649	48.0
449.19455	51.5
450.20239	36.1
460.18796	42.7
461.19403	3.5
462.20251	10.9
472.18866	6.0
474.20395	15.4
476.18335	19.8
477.19287	17.9
478.19458	14.1
480.21457	4.2
490.19775	95.2
491.20343	15.1
492.21402	27.1
493.22260	5.5
522.22418	29.8
523.22980	10.7
567.26031	5.0
582.46588	2.9
595.25525	23.9
613.26544	95.0
614.26556	5.1
645.60266	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	645.2915
Annotation	Unknow
Peak:m/z	Relative Intensity
71.10696	6.4
71.11054	4.3
86.72773	3.0
93.07048	7.8
94.06566	14.6
95.07348	7.4
96.08121	18.3
106.06561	5.7
108.08117	32.2
110.09675	26.6
120.04451	5.0
120.08113	21.1
121.08894	3.0
122.06034	8.9
124.07600	9.4
134.05984	5.3
134.09663	4.9
136.07591	47.8
138.09143	35.8
144.04445	7.0
146.05995	12.7
146.09581	3.6
148.07613	24.5
150.09105	11.6
152.07069	39.2
162.05519	6.9
164.07068	7.7
166.08636	52.8
172.03912	31.0
176.07024	5.2
190.05023	18.1
197.10768	4.4
198.11528	9.2
204.06604	36.3
209.10765	3.9
210.11555	14.2
211.12274	19.3
212.09630	5.0
212.13071	8.2
213.10210	6.4
221.10663	3.7
223.12234	18.3
224.09302	5.4
225.10211	19.0
226.11043	14.9
227.11813	4.8
228.64638	3.2
233.10722	3.6
235.12198	3.2
237.10220	21.7
238.11000	27.4
239.09760	4.0
239.11784	20.1
248.09447	3.7
249.10262	8.3
250.10973	7.9
251.11792	34.2
252.12610	8.5
253.09769	4.5
253.13411	10.7
254.10800	5.1
255.11308	6.0
256.12079	7.3
257.12900	3.4
262.11005	11.7
263.08191	2.8
263.09113	3.5
263.11859	29.3
263.14502	4.7
264.08838	5.4
264.12701	7.6
265.09744	15.3
265.13275	9.0
266.10434	11.8
267.11273	30.4
268.12134	5.8
269.12915	9.3
271.14398	14.5
273.12378	6.1
277.13370	4.0
278.10571	6.4
279.11298	59.2
280.12106	10.5
281.09375	3.3
281.12869	15.9
283.10730	8.8
284.11545	15.9
285.12323	59.3
287.13940	6.0
289.15564	5.3
291.11359	17.7
293.09619	4.2
293.12943	12.6
296.11523	10.7
297.12372	71.7
298.13327	4.3
299.13855	11.1
309.12344	26.8
310.12976	6.9
311.10303	8.4
311.13776	5.4
312.10925	7.2
313.11905	4.3
319.10651	6.9
321.12375	26.2
323.10318	13.8
325.11841	32.7
327.13379	15.5
337.11853	69.8
338.12433	5.4
339.13535	6.2
341.11554	4.5
346.19360	5.1
357.14554	11.5
359.15952	5.3
369.14505	5.3
370.15836	5.6
373.13919	3.5
384.16928	4.4
392.19443	4.7
400.16748	3.3
402.18338	5.7
404.19806	4.9
416.19513	4.6
422.20609	5.4
430.17749	26.9
432.18890	8.9
436.18628	4.8
442.17599	4.4
446.20721	7.3
448.18747	73.3
449.19525	61.9
450.20197	45.7
460.18695	59.3
461.19354	6.8
462.20273	4.8
472.18661	3.6
474.20413	10.7
476.18011	27.5
477.18808	21.4
478.19803	28.2
480.20993	5.3
490.19806	100.0
491.20425	20.4
492.21475	40.9
493.21783	4.8
522.22443	30.5
523.23102	13.1
595.25696	23.9
613.26581	89.8
614.26068	5.8
645.29108	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	645.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35275	2.6
53.03946	3.2
55.01875	41.8
65.03935	9.9
67.05501	6.9
69.03423	7.5
70.06618	2.8
72.95863	2.1
76.20699	2.0
79.05482	12.2
81.03422	5.0
81.07045	4.8
82.04189	4.2
85.02905	9.1
88.42099	2.4
91.05478	16.4
93.03429	2.7
93.07053	5.2
95.04973	12.8
97.02914	3.3
97.06514	3.4
103.05458	11.9
105.07027	23.3
106.04202	2.8
107.01344	3.9
107.04952	19.1
109.02863	4.3
109.06483	3.6
109.10155	3.5
110.03667	4.6
111.04424	11.3
111.08089	3.3
112.38342	2.1
115.05456	11.9
116.06233	4.6
117.07042	7.3
118.04210	4.1
119.04987	4.0
120.08080	2.6
121.06535	14.0
123.04421	10.2
124.05241	3.7
124.11243	13.8
125.06017	10.1
127.03909	6.9
128.06212	4.4
129.06982	11.6
131.04916	15.6
131.08589	12.1
133.06502	21.5
133.10118	2.7
135.04449	4.6
136.07628	3.2
137.06004	12.1
139.03909	10.6
139.07538	2.8
141.06990	3.8
144.05719	15.1
145.06526	13.0
145.10130	2.3
147.04416	7.3
147.08063	3.2
148.05203	4.2
149.05969	16.2
151.03900	6.6
151.07553	4.7
153.01788	2.5
153.05492	10.7
155.07050	5.8
156.05728	2.3
157.06493	7.3
159.04443	3.1
159.08089	20.6
161.05952	31.8
161.09669	4.4
163.03893	3.4
163.07561	7.6
164.07097	2.6
165.05460	6.7
167.05614	4.9
167.07040	89.5
169.06456	3.5
171.06644	4.9
172.03844	2.7
172.05254	3.6
173.06023	10.9
174.06728	3.9
175.07529	5.9
177.05470	50.6
178.06219	2.8
179.07047	3.5
181.04962	100.0
181.08572	9.0
187.07542	30.7
189.05492	4.8
189.09070	4.2
191.07051	28.0
192.07741	3.5
193.04990	4.2
193.08620	16.4
203.06999	5.1
204.06383	3.6
205.06857	3.5
205.08569	16.4
207.06497	3.6
207.10219	4.3
208.07294	3.6
209.08098	88.0
211.07507	4.5
215.06995	2.5
217.08604	11.8
218.07333	3.7
219.08104	4.6
219.10104	26.8
221.08017	27.0
221.09702	2.4
223.07278	2.5
225.07619	7.6
231.10196	3.2
235.07594	4.4
235.09694	8.8
247.07529	5.4
247.09608	16.4
249.09055	4.7
249.11252	28.9
261.08987	3.3
263.07022	9.1
263.10773	3.0
264.07947	3.2
264.12311	3.1
265.08356	4.0
265.10699	14.8
267.10162	3.1
271.10208	2.1
277.08640	5.3
279.10172	4.8
281.11743	2.4
285.12408	5.4
287.05334	5.1
287.21646	2.6
291.10175	3.6
293.08133	3.0
295.09644	7.1
305.07916	3.6
307.09668	5.5
308.10449	2.4
309.11475	3.6
315.08475	3.0
325.10898	3.7
327.12329	7.1
330.11154	2.8
331.11810	2.9
337.10916	3.2
339.12173	3.3
341.13708	3.9
351.12421	5.3
355.11795	8.9
359.14874	44.2
369.13345	10.9
371.14847	4.1
373.16342	2.7
383.14850	9.3
387.14474	14.9
401.15933	48.9
419.16956	27.3
441.15170	5.3
473.18100	5.3
483.31488	3.4
565.20355	4.2
613.25922	4.6
645.26733	11.6
645.38055	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	645.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48692	2.3
55.01876	16.1
56.96567	2.6
61.02899	3.2
65.03934	8.5
67.05495	4.2
69.03419	5.5
69.07061	3.6
70.06590	5.4
71.61730	2.4
79.05483	14.1
81.03427	2.7
81.07062	5.3
82.04185	2.5
85.02924	6.6
91.05482	13.1
93.07040	4.1
95.04959	7.3
97.02856	2.8
97.06551	3.7
98.97630	2.6
103.05479	10.2
105.07032	10.4
107.04958	17.3
107.08549	4.1
109.06503	3.7
109.10152	4.1
111.04431	3.1
115.05447	12.1
116.06254	3.4
117.07016	10.9
117.08899	2.6
119.04951	5.4
119.08585	4.7
121.06523	4.5
121.10125	2.6
123.04422	8.8
124.05183	3.7
125.06016	4.8
127.03947	7.7
128.06239	9.2
129.07011	29.6
130.07867	2.8
131.04930	12.2
131.08577	13.5
131.09431	2.7
133.02841	3.2
133.06480	6.0
133.10120	3.7
135.04381	2.7
135.08061	3.5
137.05991	10.7
140.04642	4.1
141.07039	13.2
142.02600	3.5
143.04909	4.1
143.08499	3.6
144.05698	18.2
145.06485	24.3
146.07277	4.9
147.04416	9.2
147.08037	2.9
148.05174	2.9
149.05978	8.5
149.09576	2.6
151.03947	2.6
151.07526	2.9
153.01831	7.8
153.05482	4.7
155.04909	3.6
155.06027	10.3
155.07166	5.3
156.05672	13.3
157.06502	18.1
158.07306	19.4
159.04416	3.7
159.08066	22.5
160.05182	3.6
161.05959	7.8
161.09669	6.2
161.13257	3.5
163.03979	5.1
163.07597	6.1
165.05435	3.8
167.07057	53.6
167.08409	4.7
169.06458	5.1
169.07697	3.8
170.07283	5.8
171.06596	2.8
171.08070	7.4
173.05988	22.4
173.09621	2.9
174.06761	27.5
175.07585	10.6
177.05470	16.0
179.07062	3.6
181.04970	93.6
181.08611	2.8
183.06445	3.1
183.07997	3.9
184.05209	3.3
185.05945	5.7
186.06761	7.9
187.07550	24.4
188.08344	4.0
189.05479	3.9
189.09129	45.3
190.06252	7.5
191.07013	30.3
191.08574	3.5
191.10704	4.8
193.08659	5.7
197.06064	4.4
198.06729	6.9
199.07507	7.8
200.08316	5.9
201.05450	7.5
201.09152	12.1
202.06248	11.5
202.07884	3.4
203.07043	7.4
204.07964	3.2
205.06760	4.9
205.08556	23.2
207.06529	5.7
209.08087	18.7
209.09735	2.4
215.07010	5.9
216.07750	4.3
217.08604	78.4
218.07314	3.5
219.08084	7.7
219.10201	10.6
220.08757	3.4
221.06099	2.5
221.08115	5.7
225.07578	8.0
229.08600	6.3
230.09378	3.4
231.08133	4.4
231.10237	2.9
233.05977	3.4
233.09656	4.1
234.06952	2.7
235.07533	5.1
235.09657	37.8
236.08388	3.2
246.06761	3.0
247.07481	11.2
247.09711	39.3
248.08292	5.5
248.10570	3.7
249.08937	3.2
249.11223	8.3
261.09122	3.4
262.09988	5.2
263.10699	5.2
264.07816	7.2
269.08188	6.7
275.07086	3.6
276.07800	4.8
277.08664	5.4
279.10306	7.2
282.08847	4.2
287.05392	7.6
289.08530	3.2
290.09183	4.2
291.10092	7.5
293.08206	6.0
294.08789	2.7
297.11588	2.5
305.08572	2.9
307.09686	7.4
308.10315	4.6
315.08652	15.5
319.09348	4.9
321.11334	3.0
323.12811	7.8
325.10782	3.4
330.10968	22.4
335.05185	2.9
337.10864	5.4
339.12042	7.3
343.11725	6.3
351.12100	13.5
352.13205	3.4
353.10080	4.8
368.12543	5.9
369.13229	5.8
371.14810	7.9
383.14926	68.4
387.14413	7.8
401.15964	11.1
402.16699	3.0
419.17096	3.7
423.14859	2.6
441.15488	90.6
447.30890	3.0
473.11505	5.6
473.18094	100.0
561.53387	3.2
613.26868	3.9
645.25098	8.2
645.35028	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	645.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.8
55.01870	8.3
56.06711	2.1
65.03944	4.1
67.05507	2.5
69.03421	2.5
79.05490	7.3
81.03445	3.1
84.96014	1.6
85.02903	4.2
91.05473	9.1
93.07025	2.1
95.04977	4.2
97.02918	2.0
97.06486	2.3
98.97581	2.4
103.05465	6.2
105.03432	2.6
105.07011	4.1
107.04968	9.9
109.02888	2.5
109.06537	2.4
111.04442	3.4
115.05504	9.5
116.06174	3.0
117.07041	7.2
119.05026	2.3
120.05724	1.9
121.06519	2.6
123.04416	7.3
124.05247	2.8
124.11253	3.4
125.05959	2.3
127.03803	2.7
128.06229	9.6
129.07019	31.7
131.04971	6.7
131.08594	11.5
133.06506	4.6
137.06000	6.1
141.07010	8.6
142.02658	1.8
142.04080	2.7
142.07785	2.6
143.04910	5.2
143.08586	3.3
144.05698	13.4
145.06487	19.5
146.07292	3.6
147.04417	5.9
147.08105	4.0
149.05997	7.0
153.01802	4.5
153.05481	6.0
155.04898	2.4
155.06032	5.7
156.05716	11.6
157.06506	13.1
158.07286	19.9
159.04437	7.9
159.08060	21.6
161.05984	5.2
161.09612	3.2
163.03928	3.8
163.07571	3.6
165.05525	4.2
167.07043	46.1
169.06488	5.4
169.07747	2.6
170.07285	4.4
171.04379	2.1
171.06593	2.2
171.08061	4.7
172.05263	4.0
173.06023	26.8
174.06763	34.0
175.07584	6.2
177.05502	14.6
179.07080	3.5
181.04961	64.3
181.08571	2.5
184.05090	2.5
185.06013	7.2
186.06769	7.7
187.07555	21.6
188.08383	2.2
189.05531	2.1
189.09097	42.7
190.06259	5.7
191.07045	7.0
191.10628	3.8
193.08569	2.4
198.06808	7.7
199.07565	5.9
200.08395	3.5
201.05499	6.4
201.09088	6.1
202.06279	10.7
203.06990	9.1
204.07834	4.5
205.06607	2.3
205.08568	27.9
207.06516	4.7
208.07277	2.6
209.08078	14.7
215.07005	4.6
216.07846	6.6
217.08598	64.5
218.07240	2.5
218.09274	2.0
219.08080	10.4
219.10220	13.5
220.08809	3.4
221.07935	2.4
225.07556	8.6
229.08585	4.7
231.08057	4.5
231.10121	3.5
234.06883	2.2
235.07527	4.5
235.09607	33.9
236.08310	2.8
246.06737	2.4
247.07439	7.6
247.09700	32.6
248.08243	5.5
249.05554	2.6
249.08987	4.2
249.11273	9.0
251.07066	2.6
251.10733	3.4
259.07602	3.0
260.08328	2.3
261.09009	4.0
262.10059	2.4
263.07025	3.9
263.10666	5.0
264.07764	7.0
265.08447	3.3
267.06754	2.4
269.07990	3.0
275.07104	4.2
276.07745	5.0
277.08569	5.8
279.10254	6.8
281.08295	3.8
282.08844	3.2
291.07031	2.0
291.10037	7.8
292.07156	2.9
293.08066	6.7
304.07190	2.6
307.09543	9.0
308.10342	2.7
315.08655	14.0
319.09644	4.6
321.07730	2.9
321.11145	2.2
322.08630	2.1
323.12759	3.0
330.10934	16.4
331.11743	2.9
335.08878	3.5
336.09747	2.3
337.10797	5.1
339.12170	7.9
343.11685	5.6
351.12173	14.2
352.13043	2.7
353.10126	6.7
355.11926	2.5
359.15002	3.4
368.12527	9.4
369.13290	6.0
371.14993	7.2
381.13443	3.3
383.10126	4.3
383.14911	75.7
387.14450	6.4
399.14307	4.5
401.16104	16.0
419.16751	3.1
441.15466	87.0
442.01675	2.0
443.16837	4.4
473.18115	100.0
545.26630	1.9
571.95593	2.3
645.27216	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	644.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03945	1.7
55.05519	0.2
59.04985	0.2
64.48299	0.3
69.43995	1.1
69.44419	1.1
70.94911	0.3
75.60664	0.3
77.03938	0.6
79.05495	5.0
87.04466	2.4
89.06034	16.7
91.05478	1.9
93.07057	2.2
95.04990	1.5
103.05470	4.0
105.07034	100.0
106.07385	0.8
107.50659	0.3
119.04955	0.6
119.08612	0.3
121.06514	12.5
129.06976	0.7
131.07083	0.6
131.08568	1.7
133.08611	11.9
147.08043	1.5
149.09613	0.4
165.09146	4.7
166.07747	0.4
175.09723	0.3
177.11206	3.0
181.10110	0.5
194.40788	0.3
209.11597	1.4
209.13431	1.5
216.21780	0.3
221.13901	0.7
225.12793	2.2
227.12791	1.8
251.14352	2.3
269.15387	2.2
271.15405	1.0
313.18024	1.2
315.18030	26.0
327.17358	0.6
329.19046	0.8
373.21655	0.8
419.24304	26.7
420.24634	0.5
521.28888	0.3
523.30536	3.0
580.13831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.9
55.01863	6.8
65.03934	5.6
69.03424	5.6
69.37056	20.2
73.78796	2.1
74.72552	1.9
75.16984	2.4
79.05475	4.2
81.03412	7.8
85.02901	8.3
91.05476	3.7
95.04956	7.6
97.02886	2.9
98.20741	3.4
99.04424	2.7
103.05454	6.2
104.10799	2.0
105.07016	6.1
107.04954	8.1
108.68926	2.3
109.02864	3.8
109.06545	3.3
110.65028	2.1
111.04446	3.5
115.05459	6.0
117.07020	4.9
119.04988	2.8
121.02875	100.0
121.06498	5.2
123.04411	3.7
124.05241	2.6
127.03944	2.6
128.06206	7.5
129.07013	18.7
131.04938	9.0
131.08536	5.6
133.06465	5.1
133.10097	2.2
135.04373	2.4
137.04999	3.3
137.05981	36.5
139.03928	17.8
141.06978	6.7
143.08589	2.6
144.05673	6.5
145.06491	15.5
147.04396	8.5
147.08051	2.5
149.06017	5.0
153.01842	5.1
153.05511	2.4
155.06088	3.4
156.05690	8.6
157.06551	11.7
158.07227	12.1
159.08057	18.4
160.05211	3.0
161.05968	6.6
161.09634	2.4
163.07539	8.9
163.14914	2.5
165.05489	2.5
167.07031	33.1
169.06445	3.5
171.08076	6.6
172.05194	3.8
173.05948	15.2
174.06741	21.7
175.07549	7.0
177.05473	8.3
181.04958	54.2
185.05969	5.6
186.06699	7.1
187.07506	17.3
189.09114	29.4
190.06166	3.0
191.07033	9.7
191.10617	4.5
199.07501	4.8
201.05473	5.9
201.09109	5.6
202.06227	8.5
203.07036	8.7
205.06842	2.6
205.08542	15.4
207.06276	3.4
208.07329	2.9
209.08057	6.0
213.09264	2.6
215.06995	4.2
217.08583	53.6
219.08018	7.2
219.10190	7.6
220.08821	4.5
229.08630	4.0
231.07993	2.8
231.10101	2.9
233.05811	2.6
234.06824	3.3
235.07689	3.4
235.09660	20.5
247.07481	5.7
247.09703	24.5
248.08310	4.2
249.05458	3.3
249.08955	2.9
249.11211	9.2
261.09161	2.9
263.06979	3.7
263.10681	4.7
264.07718	4.0
269.08038	3.0
270.29446	2.3
276.07901	4.3
277.08691	5.9
279.10190	3.5
283.08078	12.4
290.09387	2.9
291.10010	7.0
292.07321	3.1
293.07993	6.3
295.09854	3.6
295.13284	3.9
305.08282	4.0
307.09750	6.1
315.08612	11.3
323.12637	5.4
330.11084	12.6
337.10678	5.9
339.12408	4.7
343.12021	2.6
351.12234	6.7
353.10071	5.2
355.11685	4.7
368.12637	5.5
369.13324	4.7
371.14920	7.0
383.14890	45.5
387.14627	3.3
399.14386	4.5
401.16003	13.1
403.43494	3.0
408.29816	2.6
411.14609	3.0
441.15482	74.2
473.18100	85.5
474.18652	2.6
635.18451	2.3
645.25128	6.9
655.43396	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	644.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03945	1.7
55.05519	0.2
59.04985	0.2
64.48299	0.3
69.43995	1.1
69.44419	1.1
70.94911	0.3
75.60664	0.3
77.03938	0.6
79.05495	5.0
87.04466	2.4
89.06034	16.7
91.05478	1.9
93.07057	2.2
95.04990	1.5
103.05470	4.0
105.07034	100.0
106.07385	0.8
107.50659	0.3
119.04955	0.6
119.08612	0.3
121.06514	12.5
129.06976	0.7
131.07083	0.6
131.08568	1.7
133.08611	11.9
147.08043	1.5
149.09613	0.4
165.09146	4.7
166.07747	0.4
175.09723	0.3
177.11206	3.0
181.10110	0.5
194.40788	0.3
209.11597	1.4
209.13431	1.5
216.21780	0.3
221.13901	0.7
225.12793	2.2
227.12791	1.8
251.14352	2.3
269.15387	2.2
271.15405	1.0
313.18024	1.2
315.18030	26.0
327.17358	0.6
329.19046	0.8
373.21655	0.8
419.24304	26.7
420.24634	0.5
521.28888	0.3
523.30536	3.0
580.13831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.4
55.01870	1.9
57.28896	0.6
65.03946	3.7
67.05506	1.7
68.62849	0.8
69.03426	1.5
69.07073	1.2
69.93814	1.2
69.94226	3.5
72.38804	0.7
77.03930	1.5
79.05506	3.8
81.03426	1.0
81.07056	2.5
82.06559	1.0
85.02884	1.9
89.03897	1.3
91.05476	5.2
93.05785	0.8
93.07056	4.1
94.06569	6.3
95.04964	2.5
95.07346	3.4
96.08127	9.0
97.02876	1.3
98.20818	1.5
98.93795	0.8
103.05473	20.7
105.03409	1.6
105.07034	6.5
106.06565	1.2
107.04930	3.9
108.04472	1.4
108.08124	13.1
109.02898	1.2
110.09679	12.7
115.05481	2.6
116.04979	2.5
117.07009	2.0
118.04163	4.6
118.06576	1.6
119.04971	2.1
120.04475	4.0
120.08108	12.0
122.06054	4.4
123.04457	2.4
124.07609	8.9
127.03944	1.2
129.06976	0.9
130.04181	1.9
131.04933	20.1
132.04448	1.0
132.05730	1.6
133.02898	1.3
133.06511	5.1
134.06033	3.2
135.04413	1.1
135.08000	1.3
136.07567	10.3
137.05988	2.7
138.09146	16.0
144.04449	5.2
145.06561	2.4
146.03635	1.1
146.06013	5.7
147.04385	2.6
148.05196	10.8
148.07561	3.6
149.06004	1.2
150.23117	0.8
151.07529	1.6
152.07092	2.4
153.05521	1.5
158.09760	0.8
160.04031	4.5
160.05141	1.0
161.06006	5.7
162.05524	4.0
162.06741	0.9
163.07541	20.3
164.07120	2.2
165.05528	1.0
166.08658	15.4
167.07053	15.7
172.03935	18.7
172.07506	1.2
173.06001	3.4
174.05521	1.9
176.04713	2.6
176.07033	1.8
177.05460	2.8
181.04961	20.8
182.08308	1.0
183.09253	0.9
184.09843	1.1
185.10620	1.0
186.09180	0.9
189.05441	1.0
189.09270	1.1
190.04990	19.8
191.07036	100.0
192.07750	2.7
196.07491	1.0
196.09904	1.2
197.10789	2.5
199.12358	2.1
204.06573	30.5
205.08655	1.1
207.06511	1.0
208.07175	1.3
209.08121	1.5
209.10805	1.4
210.09335	1.3
211.08694	3.9
211.12268	0.9
212.09413	2.5
213.10228	1.3
213.47139	0.9
217.08655	2.2
219.10101	0.8
221.08113	14.9
221.10437	1.3
223.08559	1.1
224.09509	2.3
225.07661	2.5
225.10262	8.5
226.10880	1.6
227.11815	13.9
233.08049	2.1
236.09474	1.7
237.10301	3.9
238.11029	1.3
239.11804	4.1
241.09753	1.6
241.13467	1.5
245.12842	1.5
249.10220	2.5
250.10881	1.8
251.08188	0.9
251.11810	4.6
253.09784	6.2
255.11234	2.8
261.10214	1.5
263.09009	2.6
263.11777	1.1
264.08960	3.0
265.09622	2.5
267.11246	3.3
269.12878	22.4
270.09946	0.8
271.10690	6.2
273.12372	5.8
277.09610	2.3
279.11234	5.0
281.12970	1.1
283.10773	5.9
284.11557	5.9
285.12350	7.0
286.13138	1.4
287.05563	1.5
287.13937	14.1
293.08539	1.3
295.10739	2.6
297.12344	8.0
298.13293	0.9
299.14053	5.4
302.13086	1.2
305.09186	1.8
307.10953	1.1
312.11917	1.1
312.15182	1.3
313.11877	2.1
314.13025	2.2
315.13803	1.1
316.10968	1.4
316.14328	1.5
323.10306	7.9
325.11819	30.0
326.12930	1.6
326.16650	1.8
327.13779	4.0
328.10794	3.4
328.14645	2.2
329.11377	1.2
329.15143	1.2
330.12402	1.1
330.16071	1.5
331.16943	1.1
337.11212	1.4
339.13580	2.1
341.11380	1.9
342.12387	7.3
342.15973	1.0
343.12927	6.3
344.14221	2.0
344.17899	1.1
352.14456	1.8
354.12216	1.2
354.16302	1.0
355.12720	1.8
356.13974	6.8
356.17868	1.1
357.14520	8.2
358.15524	3.2
366.16193	1.7
367.12918	2.5
370.15518	5.8
371.14990	1.3
372.16974	1.0
378.17944	1.4
380.13956	2.3
382.11838	3.6
383.12650	1.4
384.13376	2.6
385.13168	3.8
386.14740	2.4
386.18817	2.4
387.14813	1.7
390.18063	2.6
394.15613	3.2
397.14578	1.3
398.14999	19.2
399.15723	20.1
400.16476	3.0
402.17859	2.0
404.16208	5.1
412.16495	4.0
414.18332	4.1
416.16028	14.3
417.15622	2.9
418.17184	1.1
422.16104	1.7
426.20377	0.8
428.16071	6.1
430.18027	4.1
440.16107	7.6
446.17081	19.6
448.18417	1.1
458.17117	47.3
460.18820	1.2
476.17191	1.3
478.19644	3.0
490.19745	7.3
551.22589	1.0
565.24280	2.3
567.25525	4.4
569.23944	7.6
575.23218	1.2
583.25354	2.5
593.23969	14.3
611.25037	85.4
612.25177	2.3
643.24878	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	643.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
65.03937	1.1
67.05511	0.9
69.44628	0.5
69.48470	1.8
69.48899	2.1
79.05486	1.8
80.05022	0.6
82.06586	1.2
89.03947	1.0
91.05476	1.6
92.05006	0.7
93.03461	0.6
93.05771	0.7
93.07040	2.5
94.06564	6.1
95.07346	2.8
96.04494	0.5
96.08138	7.2
97.06529	0.9
98.21453	1.0
101.74699	0.5
103.05466	1.5
106.06551	1.7
108.04488	3.2
108.08115	10.5
110.06046	0.5
110.09679	10.7
116.05006	3.7
118.06531	1.2
120.04463	4.6
120.08117	9.1
122.06033	4.5
124.07589	7.8
132.04417	0.8
134.06052	3.9
136.07590	9.8
138.09148	13.4
144.04456	6.3
146.06012	6.9
148.07526	2.9
150.05495	0.8
152.07072	2.5
156.08125	0.9
158.09650	0.7
159.09245	0.5
160.03938	3.2
162.05530	4.9
163.07526	0.7
164.07076	1.7
166.08644	14.2
167.07123	2.3
170.08400	0.6
172.03938	26.1
172.07671	1.4
174.05515	1.9
176.07091	5.0
178.05125	0.8
181.04964	2.9
182.09737	1.2
183.09189	1.0
184.07515	0.6
184.09958	1.0
190.04985	21.2
191.07062	2.2
196.09921	1.2
197.10774	2.7
198.07773	0.8
199.08727	1.5
199.12347	2.1
204.06564	45.6
207.09201	0.9
209.10800	1.9
210.09267	1.5
210.11308	0.6
211.08638	4.1
211.12323	0.7
212.09492	3.1
213.10219	1.2
221.10596	0.6
222.11484	0.6
222.28244	0.5
223.08780	1.7
223.12350	1.6
224.09232	2.7
225.10201	12.1
225.13776	0.6
226.10966	1.5
227.11804	16.1
229.13377	0.7
236.09492	2.3
237.10240	3.4
238.07370	0.8
238.11098	1.5
239.08270	0.8
239.11786	3.4
241.09801	2.2
241.13478	2.0
242.11600	0.5
243.11171	0.6
245.12798	0.8
249.10310	2.4
251.08203	2.1
251.11853	4.0
252.09158	0.9
252.12418	0.6
253.09732	6.7
253.13469	0.8
255.11325	2.0
261.10181	0.6
263.08630	1.0
264.08963	4.0
265.09802	1.8
266.10443	1.1
267.11343	3.4
269.12863	19.2
271.10776	10.6
273.12360	6.6
277.09616	3.2
278.10196	0.7
279.11334	2.9
281.09320	1.6
281.12805	1.2
282.10068	0.6
283.10770	7.1
284.11523	5.9
285.12347	6.1
286.13162	1.3
287.13928	18.0
289.13165	0.6
294.10263	0.7
295.10873	1.3
297.12399	10.1
298.10876	0.7
299.14014	5.7
300.11752	1.2
301.12585	0.7
302.13098	0.9
305.09332	0.7
307.10760	1.5
312.15027	2.6
313.12509	2.3
314.12872	2.5
315.13870	1.9
316.11169	0.9
316.14612	2.7
317.15329	0.7
321.08813	0.8
321.12277	1.2
323.10303	8.9
323.13947	1.0
325.11835	29.4
326.13010	1.2
326.16641	1.5
327.13562	4.7
327.17444	1.3
328.10849	4.3
328.14526	2.7
329.11728	1.1
329.15164	1.5
330.12418	1.3
330.16122	3.0
331.16849	1.6
339.13547	2.1
340.14432	1.8
341.11731	2.3
342.12387	8.8
342.16052	1.0
343.13083	6.9
343.16818	0.9
344.13959	1.8
344.17752	0.7
352.14557	1.0
353.12491	0.7
354.12506	1.3
354.16403	1.1
355.13257	2.5
356.13885	6.5
356.17697	0.6
357.14572	10.8
358.15488	5.5
365.11478	1.6
366.16150	0.6
367.13187	1.6
368.10196	1.0
370.11609	1.3
370.15579	6.2
371.16229	2.0
372.17346	1.1
378.18274	1.7
379.12872	0.5
380.13962	1.3
382.11798	4.8
383.12552	3.6
384.13297	5.5
385.14124	3.5
386.14285	3.0
386.19263	3.2
387.15817	0.7
388.16785	1.0
390.18179	3.6
394.15555	0.8
396.17438	0.9
397.14676	1.4
398.09747	0.9
398.14993	21.7
399.15771	29.9
400.16525	2.5
401.13483	0.6
402.18323	1.6
404.16129	6.4
412.16702	2.4
414.18265	4.3
416.16068	21.5
417.16415	0.8
422.17261	2.5
428.16171	3.4
430.17566	3.4
440.15991	6.2
446.17157	17.1
448.18744	1.0
458.17120	48.4
459.17252	1.3
460.18771	1.3
476.18140	0.6
478.20117	1.5
490.19745	9.3
523.23187	0.6
539.26843	0.9
541.25146	0.7
551.23016	0.8
552.24274	0.9
565.24634	1.9
567.25885	4.1
569.23865	8.9
583.25781	3.5
593.23938	9.7
611.25012	100.0
612.24994	3.4
643.27338	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	643.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
53.88161	0.5
55.01862	0.5
65.03922	1.8
67.05482	1.6
69.07039	0.6
75.91389	0.5
79.05499	2.8
81.03426	1.2
81.07050	1.2
85.02888	1.0
89.03924	1.1
91.05471	2.5
92.04990	0.8
93.05795	0.7
93.07050	3.0
94.06569	5.2
95.04977	0.7
95.07352	1.7
95.08592	0.8
96.08129	5.5
103.05457	2.0
105.07004	2.3
106.06517	1.9
107.04948	1.1
108.04451	2.0
108.08123	7.5
109.10164	0.5
110.09691	8.1
115.05457	0.7
116.04995	3.9
117.06987	0.6
118.06578	0.8
119.04960	0.6
120.04467	3.2
120.08106	6.5
122.06050	4.0
124.07590	3.1
131.04913	2.0
132.04372	0.7
132.07957	0.5
133.02812	0.5
133.06442	0.9
133.10136	0.7
134.06006	3.9
136.07581	7.7
137.05992	0.9
138.05490	0.7
138.09146	8.5
144.03331	1.0
144.04454	10.4
145.06480	1.1
146.06004	5.2
148.05157	1.1
148.07587	2.7
151.03876	0.9
151.07434	0.8
152.07016	1.3
158.05934	0.6
158.09662	0.8
160.03931	2.3
160.07594	0.7
161.05969	0.9
162.05524	5.3
163.07532	2.5
164.07050	2.0
166.08638	11.0
167.07045	8.5
172.03940	52.0
173.05923	1.2
174.05557	1.4
176.07083	3.4
181.04964	11.4
182.09720	0.9
183.09091	0.9
184.09944	0.9
185.10878	0.7
188.07091	0.5
190.04982	11.6
191.07031	9.2
193.05014	0.6
193.08626	0.7
194.09575	0.6
195.06480	0.7
195.09258	1.0
196.09961	1.0
197.10779	1.6
198.09250	0.6
199.12286	1.8
204.06569	100.0
205.06810	1.0
205.08618	1.0
207.09053	0.6
209.10725	1.1
210.09401	1.0
211.08685	2.8
211.12254	1.1
212.09436	1.4
213.10222	1.2
217.08665	0.9
221.08046	0.5
221.10684	0.6
222.07744	0.5
223.08746	1.3
223.12207	0.9
224.09375	1.1
225.07794	0.8
225.10225	9.4
226.08714	0.5
226.11043	1.7
227.11792	12.9
233.08110	0.7
235.09076	0.7
236.09421	1.6
237.10252	3.0
238.11087	1.7
239.11786	3.5
241.09726	1.9
241.13417	1.3
243.11186	0.6
245.12793	0.9
249.10286	1.9
251.08176	1.3
251.11771	2.3
252.08932	0.8
253.09795	5.0
253.13832	0.8
255.11417	1.1
263.08881	1.6
263.11771	0.9
264.09027	2.8
265.09653	1.8
267.11298	2.6
269.08838	0.6
269.10049	0.8
269.12888	8.8
270.10043	0.9
271.06091	0.8
271.10779	8.0
273.12366	4.6
277.09894	1.4
279.11304	3.0
281.09268	1.1
281.12778	1.1
283.10782	4.2
284.11371	3.9
285.12463	4.4
286.13184	1.5
287.05606	2.8
287.13913	18.8
289.13351	0.6
295.10907	1.5
296.11526	0.9
297.12360	8.1
298.10611	0.8
299.14041	4.3
300.11404	1.1
300.14798	0.6
302.13022	1.4
307.10791	0.9
309.12344	0.6
312.15082	1.2
313.12494	1.9
314.13007	2.3
315.13913	1.0
316.10992	0.9
316.14590	1.5
321.12323	0.9
323.10236	6.1
325.11826	11.3
326.12970	1.0
326.16595	1.6
327.13464	3.5
327.17218	1.2
328.10840	3.4
328.14536	2.1
329.15063	2.0
330.12491	1.1
330.15991	2.2
331.17029	1.3
336.11072	0.6
337.11639	0.7
339.13525	1.8
340.14758	1.0
341.11768	1.5
342.12488	6.5
342.16229	1.8
343.13065	3.9
343.16803	0.7
344.14026	0.9
344.17789	0.8
352.14426	1.0
353.12747	0.8
354.12329	1.2
354.16190	1.0
355.13306	2.0
356.13895	5.4
357.14490	22.3
358.15515	4.5
366.16116	0.7
369.11093	0.7
370.11679	1.1
370.15552	5.0
371.16409	1.4
372.17233	1.5
378.18112	0.9
380.13687	0.8
382.11865	3.2
383.12531	2.4
384.13290	4.8
384.17340	0.8
385.13647	2.3
386.14868	1.9
386.19095	3.6
387.15308	0.7
388.16718	0.7
390.18164	2.1
394.15665	0.8
396.13242	0.7
397.14532	0.9
398.15009	16.4
398.19989	1.1
399.15778	21.6
400.16489	2.1
401.13715	0.9
402.18304	1.0
404.15952	4.6
412.16571	1.6
414.18036	3.6
416.16028	15.6
417.15839	2.5
422.17191	2.0
428.16138	2.4
428.25562	0.6
430.17587	2.3
440.16107	3.8
446.17200	13.7
448.18997	0.8
458.17139	34.6
459.17508	1.0
460.18771	0.9
478.19510	2.5
490.19699	10.0
496.21234	0.7
511.33878	0.7
520.20874	0.8
541.24707	0.8
565.24561	1.9
567.26080	2.2
569.23999	5.0
583.25641	2.3
593.24017	6.0
611.25018	78.0
612.25458	2.5
643.27161	4.9
643.38208	2.7
651.99774	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.6
65.03944	1.4
66.71265	1.1
67.05482	1.5
67.45321	0.9
69.13123	0.9
72.02542	1.1
74.97124	0.9
77.37585	0.9
79.05492	2.8
80.04998	1.2
81.03403	1.3
81.05793	0.9
82.06590	1.9
87.60690	0.9
91.05457	2.5
92.04973	1.7
93.05782	1.2
93.07042	3.7
94.06563	8.7
95.04958	1.2
95.07343	3.9
96.08139	9.2
96.82256	0.9
97.06487	1.1
97.64909	0.9
103.05521	2.2
106.06553	2.0
108.04482	4.0
108.08112	11.5
110.09688	13.1
116.04967	4.5
120.04441	6.6
120.08100	10.2
122.06041	5.4
124.07590	10.9
131.04926	2.4
132.04483	1.3
134.06061	5.0
136.07565	12.2
138.09142	17.2
144.04439	9.5
146.05984	9.6
148.07597	4.9
152.07056	3.3
153.05421	1.2
156.36124	1.0
160.03938	3.8
162.05484	5.4
163.07484	2.3
164.07129	2.2
164.08578	1.0
166.08624	20.7
167.07094	7.0
172.03943	28.8
172.05412	1.9
172.07555	2.0
174.05515	2.9
176.07054	3.7
181.04939	8.3
182.09703	1.6
186.09027	1.2
190.04994	24.0
191.07072	8.8
195.09192	1.7
197.10699	4.0
199.12309	2.9
204.06570	45.7
209.10742	2.7
210.09215	1.8
210.11168	1.3
211.08678	4.4
212.09503	3.4
213.10216	2.6
223.08667	1.4
223.12302	1.6
224.09448	3.8
225.10175	14.6
227.11803	21.3
235.08702	3.1
236.09489	4.0
237.10237	5.2
238.11009	3.0
239.11800	5.2
241.09747	2.0
241.13379	2.4
245.12968	1.8
249.10214	4.4
250.10905	1.2
251.11743	5.7
252.08858	2.0
253.09671	7.4
255.11317	2.7
261.10281	1.4
263.08701	1.8
263.11752	1.8
264.09015	4.9
265.09756	1.8
266.10431	2.0
267.11295	2.4
269.12869	24.5
271.10739	10.9
273.12369	8.5
277.09698	3.8
279.11307	6.3
281.12747	1.5
283.10675	9.1
284.11578	5.9
285.12363	6.1
286.13257	1.8
287.13937	20.9
287.17093	1.4
291.11032	1.4
293.09253	1.8
295.10715	2.2
297.12390	12.1
299.14063	6.6
300.11456	1.4
300.14935	1.3
305.09109	1.3
307.10764	3.0
309.12720	1.1
311.10629	1.2
312.11667	1.4
312.15076	2.5
313.12170	3.5
314.12933	4.4
315.13858	1.6
316.10983	1.5
316.14557	2.3
317.14960	1.2
321.12244	1.7
323.10352	8.0
325.11832	36.1
326.12701	1.5
326.16370	2.6
327.13739	5.3
328.10776	4.1
328.14450	4.5
329.11676	1.3
329.15262	1.9
330.15979	2.8
331.16782	3.3
339.13858	1.2
340.14487	1.7
341.11737	3.0
341.15735	1.3
342.12421	11.2
342.16119	1.9
343.13083	7.4
344.13916	1.3
353.12787	1.2
354.12317	2.6
355.13248	2.9
356.13806	9.0
357.14453	8.1
358.15430	6.9
365.11374	1.3
367.13855	2.2
369.15970	1.6
370.11539	1.8
370.15601	7.0
378.18347	1.4
380.14063	2.5
382.11719	6.8
383.12546	5.5
384.13266	4.8
384.17477	1.3
385.14090	4.3
386.14911	3.2
386.18628	3.4
390.18161	3.7
394.15475	2.5
397.15198	1.5
398.15012	26.1
399.15802	30.2
400.16446	3.8
404.16135	7.0
412.16504	3.7
414.18231	5.8
416.16064	21.2
417.16150	1.4
428.16125	3.2
430.17480	5.6
440.16022	8.5
441.14505	3.8
446.17114	28.5
447.17438	1.8
448.18567	2.7
458.17117	68.6
460.18860	2.2
469.26392	1.2
478.19708	2.0
490.19852	12.1
520.20850	3.7
565.24500	3.9
567.25970	4.8
569.23920	13.0
575.22449	1.3
583.25226	4.1
593.23969	15.4
611.25012	100.0
612.24963	3.3
626.25079	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	643.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33964	0.2
53.17112	0.2
55.05499	0.3
57.84110	0.2
57.84407	0.2
60.60208	0.2
67.05504	0.6
69.07075	0.3
69.42412	1.4
69.42824	0.3
79.05516	0.5
81.07065	0.6
82.97548	0.2
83.08602	0.2
83.24719	0.2
91.05491	0.4
93.07047	0.5
105.07016	0.3
107.08593	0.3
121.10176	0.3
145.10126	0.2
170.59949	0.2
322.79669	0.3
331.70670	0.2
533.53119	0.2
643.25269	100.0
644.25653	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.4
67.05526	1.1
67.59138	0.9
71.06551	0.7
79.05475	1.2
89.03884	1.0
91.05450	1.4
92.04969	1.8
93.03437	0.9
93.07018	2.5
94.06584	5.4
95.07324	3.0
96.08125	7.4
98.20776	2.3
106.06535	1.6
108.04472	2.1
108.08115	10.1
110.09679	8.7
116.05012	3.7
118.06532	1.1
120.04460	3.5
120.08093	7.3
122.06059	4.7
124.07584	8.1
132.04433	1.2
134.05992	3.2
136.07570	10.1
138.09125	11.2
144.04439	5.9
144.08099	0.9
146.06024	6.7
148.06372	0.8
148.07550	3.4
150.05508	0.8
152.07050	2.0
160.03920	3.3
162.05493	4.4
164.07076	3.3
166.08644	12.8
167.07098	3.9
172.03922	23.7
172.07622	0.8
173.05968	1.0
174.05478	1.9
176.07025	3.5
180.79097	0.7
181.04866	4.2
182.08258	0.9
186.09138	1.3
189.07761	0.8
190.04973	18.0
190.06683	0.9
191.07002	4.4
196.09944	0.9
197.10663	1.8
198.11545	1.4
199.08549	1.2
199.12286	2.7
204.06552	41.7
209.10701	2.5
210.07671	1.5
211.08685	6.2
212.09383	1.8
213.10271	1.8
221.06700	0.8
222.07872	1.0
223.08711	1.2
224.09465	2.5
225.10263	10.6
226.10957	2.1
227.11789	14.3
232.16994	0.9
236.09488	3.4
237.10242	3.1
238.10983	2.3
239.11859	4.3
241.09715	1.1
241.13351	1.3
241.82590	0.8
245.12772	1.1
249.10251	2.7
251.08105	0.8
251.11728	3.1
252.08963	1.3
253.09695	6.4
255.11263	2.6
261.10034	0.9
263.08194	1.1
263.11713	0.9
264.08951	3.4
265.09647	2.6
267.11243	3.6
269.09616	1.4
269.12811	17.1
271.10730	9.8
273.12405	8.8
275.79193	1.0
277.09662	1.6
279.11185	4.1
281.09286	1.5
281.12848	1.0
283.10858	6.7
284.11630	5.8
285.12381	6.4
287.10898	1.3
287.13910	19.9
293.09207	1.7
295.10745	1.8
296.11743	1.3
297.12335	7.8
299.14059	5.5
302.13016	2.0
307.10666	1.4
311.14407	1.1
313.12057	2.6
314.12906	3.2
315.13782	2.8
316.14432	1.5
321.08429	0.9
321.12222	0.9
323.10306	8.4
325.11850	28.3
327.13507	3.7
328.10693	3.6
328.14392	2.5
329.11713	1.8
329.15250	1.5
330.12512	1.9
330.16071	2.5
331.16711	2.0
337.11899	1.9
339.13733	1.7
340.14264	1.0
341.11581	1.9
342.12427	6.9
342.16025	1.5
343.13010	6.2
344.13864	1.2
352.14627	1.3
354.12326	1.7
354.16205	1.8
355.13300	1.3
356.13937	6.8
357.14560	8.7
358.15399	4.1
365.11322	1.1
369.73080	0.8
370.11472	1.3
370.15463	5.1
371.16507	1.1
372.17136	1.6
378.18076	1.7
380.14151	1.7
382.11868	3.5
383.12604	4.2
384.13235	4.3
385.13766	3.1
386.14786	2.9
386.19473	3.9
386.24719	1.0
388.16449	1.3
390.18121	2.9
394.15451	1.4
397.14948	1.3
398.15002	18.6
399.15765	30.3
400.16318	3.5
404.15878	5.5
412.16455	2.8
414.18051	4.4
415.15756	1.1
416.15970	17.9
416.20987	1.6
417.15494	2.3
422.16714	1.3
428.16046	2.7
430.17654	3.3
440.16122	7.4
444.14804	1.8
446.17114	20.8
447.17795	1.0
448.18765	2.1
458.17090	46.8
459.17288	1.3
460.18365	2.6
476.17828	1.1
478.19739	1.4
488.18112	1.1
489.18762	1.1
490.19775	8.5
520.20691	4.2
539.41412	1.1
551.22498	1.2
565.24402	2.0
567.26166	4.1
569.23981	8.9
583.25208	5.0
593.24207	10.4
611.25006	100.0
612.24915	2.1
643.27130	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	643.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16690	0.5
55.05464	0.9
61.46562	0.5
67.05457	1.1
69.66592	1.0
69.67009	2.4
78.38933	0.4
79.05414	1.0
79.05929	0.4
81.06965	1.8
83.08546	0.5
85.98119	0.5
91.05421	1.0
92.86729	0.4
93.06973	1.0
95.08511	1.2
105.06950	1.7
107.08527	0.7
109.10063	0.7
119.08504	0.6
131.08511	0.5
132.23976	0.4
133.10020	0.8
157.10100	0.6
174.57503	0.4
213.32271	0.5
213.39948	0.5
214.44707	0.5
333.32129	0.5
351.25815	0.5
396.12079	0.9
397.12897	2.5
398.13687	1.1
409.13153	0.7
410.13693	2.8
411.14493	5.8
412.15219	3.5
413.15952	2.3
423.14536	1.6
424.16104	2.4
425.16318	11.0
426.16986	9.9
427.17664	1.3
428.18683	1.1
437.16479	1.2
438.12643	3.6
439.13574	14.6
440.19186	5.1
441.19302	37.6
442.19449	1.5
452.14346	4.0
453.15292	17.5
454.15732	3.9
455.21262	0.5
466.16940	0.6
467.17181	25.6
468.17950	13.5
469.18860	12.2
470.18094	0.5
471.16418	0.8
472.17487	0.6
480.17215	1.0
481.14835	13.1
482.15628	3.4
484.17795	0.6
485.18478	0.9
495.15942	3.1
496.17160	13.1
497.17749	1.4
498.19223	0.9
499.19910	1.1
509.18271	2.7
512.20691	0.9
513.21436	0.8
514.22192	2.0
523.19562	1.6
525.18158	0.6
527.23602	2.2
542.21875	1.1
554.22467	0.6
555.22412	28.7
556.22656	1.3
568.19580	0.9
583.21906	100.0
584.22015	5.9
587.24829	1.9
611.21429	1.9
614.22974	0.7
615.24451	11.7
643.23938	55.6
644.23993	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	643.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26413	0.4
53.03930	1.6
55.01867	0.9
55.09044	0.4
65.03942	3.5
67.05500	1.3
69.03405	1.5
70.06571	1.1
71.61373	0.7
72.66266	0.4
78.04707	3.0
79.05487	2.9
81.03414	1.2
81.07051	1.0
82.04199	1.0
85.02911	2.9
88.87851	0.4
91.05486	3.8
93.03370	1.2
93.07042	1.4
95.04952	2.8
97.02900	0.5
97.06522	1.0
99.04446	0.4
102.04722	0.5
103.05470	5.1
105.07003	1.3
106.04176	2.1
107.04962	5.0
109.02872	0.9
109.06512	0.5
110.03666	1.6
111.04451	0.9
115.05457	5.6
117.03328	0.6
117.07028	8.2
118.04172	0.5
119.04958	0.6
120.92746	0.5
121.02873	0.9
121.06518	2.9
122.03593	0.6
123.04433	8.7
124.05201	2.6
124.11214	2.2
125.06021	1.5
125.72645	0.4
126.40336	0.5
127.03918	1.5
127.05450	1.7
130.04184	0.7
131.04932	3.5
131.10672	0.4
133.06448	1.3
133.10172	0.5
134.03615	1.1
135.04411	1.3
135.90189	0.4
137.05969	3.5
138.03105	0.8
140.04694	1.0
142.02614	1.5
143.04924	0.9
144.05687	0.5
145.02827	0.8
145.06494	13.3
147.04433	1.2
147.08029	0.7
148.05183	1.8
149.05983	4.1
151.03905	2.5
151.07527	1.2
152.04684	2.2
153.01869	1.1
153.05464	1.3
155.06036	5.4
155.07108	0.7
157.06537	0.7
159.04413	1.0
160.05225	0.6
161.05971	1.8
161.09596	0.4
163.03929	1.5
163.07550	1.0
165.05487	1.2
167.07045	100.0
168.07417	0.5
171.06544	2.1
172.03947	0.5
173.05986	21.2
175.07545	1.4
177.05493	5.4
179.07047	0.5
181.04962	49.5
187.07498	0.5
188.04750	0.9
190.06288	0.6
191.07057	6.1
192.08026	0.5
195.06534	1.1
201.05495	0.9
203.07054	2.4
205.08604	6.3
207.06395	0.6
207.08191	0.5
208.07384	0.5
209.08047	3.5
217.08588	1.2
219.06493	1.2
221.06084	0.5
221.08078	1.0
226.05975	0.5
227.09402	0.4
231.06500	0.8
233.08044	6.0
235.07484	1.0
235.09634	6.4
240.08049	0.5
251.07112	0.7
265.08655	1.1
271.06006	0.6
282.09073	0.6
293.08231	1.0
295.09988	0.8
297.11304	1.0
310.08417	0.9
325.10840	1.4
329.10281	1.5
339.08676	0.5
352.49905	0.4
355.11743	0.9
357.13345	5.7
369.13599	0.6
384.12555	0.4
385.12833	34.5
386.13541	1.3
386.48557	0.5
387.14395	5.6
399.14542	1.8
415.14084	0.5
417.15488	13.9
441.15359	0.5
441.98306	0.5
451.26944	0.5
488.17896	0.5
611.25031	0.8
613.22876	0.6
643.23877	44.1
644.24066	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.9
54.00218	0.6
54.07521	0.7
55.01855	2.1
65.03945	5.9
67.05482	1.5
69.03422	2.3
69.06533	0.7
70.50858	2.6
71.01357	1.0
71.15659	0.7
78.04688	3.3
79.05495	5.1
81.03390	3.0
81.07038	1.9
82.04173	2.0
85.02905	4.7
89.03886	1.4
91.05464	5.9
93.03403	1.8
93.07031	1.3
94.04177	0.9
95.04972	5.0
97.02873	1.1
97.06524	2.7
103.05471	14.2
105.03383	2.3
105.04490	0.8
105.07030	6.6
106.04159	2.4
107.04951	7.4
108.02094	0.9
109.02856	1.2
109.06521	2.0
110.03653	2.6
111.04398	2.1
111.70547	0.8
115.05449	8.5
117.03355	0.9
117.07011	9.2
118.04194	3.4
119.04910	2.7
119.08578	1.2
121.06490	3.1
122.03659	0.9
123.04435	8.8
124.05176	2.9
125.05984	3.7
127.03888	2.2
127.05473	1.0
128.06242	1.1
129.06987	0.9
130.04140	1.4
131.04915	13.0
132.05669	0.9
133.02864	2.8
133.06480	7.3
134.03648	1.4
135.04396	1.1
135.08041	1.7
137.05960	6.3
138.03120	1.8
140.04613	1.1
142.02589	2.2
143.04939	1.7
144.05624	1.3
145.02829	1.4
145.06473	13.9
147.04393	3.1
147.08052	1.6
148.05196	8.6
149.02461	1.2
149.05962	3.1
151.03883	3.1
151.07535	2.2
152.04666	4.1
153.01819	2.0
153.05440	5.7
155.06017	3.1
155.07088	2.0
156.05643	1.1
157.06497	1.2
159.04463	1.4
159.08054	1.4
160.05219	1.1
161.05983	6.6
161.09689	1.0
163.07532	12.9
165.05438	4.1
167.07034	100.0
168.07358	0.7
169.06360	1.0
171.06514	4.1
173.05992	20.3
174.06644	0.9
175.07573	3.3
176.04700	2.0
177.05447	6.8
178.05946	0.9
179.07034	1.8
180.07819	1.5
181.04951	97.3
183.06470	1.0
187.07562	2.1
189.05438	1.2
190.06335	1.1
191.07018	58.5
192.07597	0.8
193.04979	3.1
193.08580	2.8
195.06526	2.7
201.05511	2.0
203.06923	3.7
205.08583	5.8
207.06544	3.9
207.10066	1.7
208.07361	2.1
209.08070	4.2
217.08612	3.3
219.06357	0.9
219.08205	1.4
219.10188	5.1
221.06070	1.1
221.08092	2.2
225.07536	8.8
226.08463	1.4
231.06506	2.0
233.08055	7.8
235.07492	1.9
235.09677	8.6
241.08556	0.9
245.08051	1.3
246.06554	0.8
247.09747	1.0
263.09143	10.9
264.07623	1.1
265.08658	1.5
267.10236	2.1
271.06021	0.9
280.07260	0.9
281.08322	1.2
286.08173	0.9
287.05569	2.7
295.09515	0.8
297.11121	1.0
311.09091	0.9
316.17212	0.7
325.10782	4.0
329.10266	1.8
337.10922	0.9
339.12109	1.2
353.10275	1.0
355.11649	1.0
357.13287	7.6
367.11600	1.7
369.13373	1.1
371.15195	0.9
385.12814	28.5
387.14307	6.5
399.14462	3.1
417.15390	14.1
611.25519	0.8
643.23816	33.4
644.24835	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2611
Annotation	Swietephragmin G
Peak:m/z	Relative Intensity
53.03941	2.2
55.05508	3.5
65.03903	1.9
66.53783	1.5
67.05502	7.0
69.03407	3.1
69.07059	3.4
70.39458	7.0
79.05481	7.7
80.05035	2.7
81.03405	5.5
81.07063	8.8
82.06554	2.2
83.04997	2.8
83.08630	2.9
85.02907	2.6
91.05469	6.1
93.07051	12.7
94.06565	9.9
95.04971	2.9
95.07337	6.3
95.08611	4.6
96.08134	12.4
97.02838	2.6
97.06527	2.4
103.05476	2.0
105.07060	3.9
107.08588	2.0
108.04564	2.2
108.08128	13.7
109.10135	1.9
110.09694	25.1
117.07050	2.5
119.08585	2.2
120.08122	17.0
121.10193	1.8
122.06062	9.7
124.07644	2.5
131.08598	2.3
133.10130	2.7
135.11652	1.7
136.07574	11.4
138.09143	23.9
148.07576	7.1
166.08653	27.4
181.05014	2.4
196.87314	1.6
211.08780	3.9
211.13220	1.9
221.10690	4.5
235.08698	3.0
247.08635	6.4
248.09393	1.8
249.10236	29.1
251.11938	2.5
261.10129	3.9
263.11688	3.3
265.09927	2.8
277.09766	18.6
285.09955	3.1
289.09702	3.0
291.11383	1.9
293.09167	4.1
295.11038	2.3
298.10687	1.9
308.11877	2.1
309.12390	7.9
312.11642	2.7
314.12961	2.3
324.11826	2.4
325.13275	4.1
326.12924	7.1
327.10370	1.9
327.13867	3.8
330.12720	2.2
336.15015	3.4
337.12448	2.4
338.13000	2.4
338.16617	3.2
339.13712	2.8
340.10852	5.9
340.14557	8.6
341.11618	2.5
341.15475	2.6
342.12503	7.1
342.16046	2.8
343.13342	2.0
344.13657	3.7
349.12384	2.4
352.14688	3.5
353.11716	5.0
354.12418	14.1
354.16135	3.2
355.13104	9.5
356.13876	10.3
357.14948	1.9
364.14297	8.6
365.15494	2.3
366.12204	3.1
366.16165	6.6
367.13141	8.9
368.10294	3.1
368.14096	21.8
369.14850	9.8
370.15579	5.6
380.13974	6.6
382.11145	10.6
382.16180	12.1
383.12354	2.6
383.16541	4.5
384.17130	12.9
392.14059	6.2
394.15775	3.8
395.12628	4.2
396.13403	13.7
397.14246	6.3
398.18787	12.9
400.16690	3.1
408.13431	3.9
410.15179	13.0
412.16626	13.1
413.13766	1.9
414.14319	5.3
415.15457	2.9
420.13580	4.9
426.14438	5.4
428.15863	8.0
429.16846	2.6
438.14542	41.7
439.14886	1.8
442.17670	5.6
444.19565	15.6
456.15573	100.0
457.16153	2.1
458.17261	14.8
470.17227	3.7
476.18170	54.3
488.18167	34.8
563.23560	3.9
568.23206	2.0
591.22479	13.4
595.25427	4.8
609.23541	30.4
613.26855	3.5
623.25006	31.2
641.26044	97.7
642.26300	3.4
657.22333	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86033	2.1
52.44984	1.6
53.03938	1.8
55.05514	4.8
57.03439	2.8
65.03937	4.1
67.05511	15.2
69.03419	5.7
69.07062	4.9
69.32472	19.9
71.05007	4.0
79.05486	9.1
81.03410	13.9
81.07055	16.9
83.04965	6.5
83.08630	5.2
85.02890	6.8
86.63357	1.9
90.34840	1.8
91.05483	9.1
93.05777	8.1
93.07041	8.2
95.04967	8.3
95.08607	10.0
97.02875	6.0
97.03446	2.2
97.06505	3.4
97.10135	2.6
98.21523	3.8
105.07032	7.8
107.04942	5.5
107.08578	8.2
108.08117	27.7
109.02861	2.8
109.10150	8.8
110.82807	2.1
111.04450	2.5
111.08079	3.0
117.07022	4.8
118.06489	2.4
119.08580	5.7
121.06481	3.6
121.10123	5.0
123.11704	3.2
127.03941	17.7
129.07001	3.5
131.08614	3.3
133.10139	4.0
134.05997	3.1
135.11638	4.7
136.07585	88.6
137.05930	4.1
137.09624	2.2
144.08153	2.2
145.06523	3.4
145.10069	3.7
147.08046	2.3
147.11722	2.1
152.07074	2.4
159.08099	1.8
164.07063	6.8
164.63397	2.2
165.05469	2.3
167.07059	16.3
167.13867	2.5
172.03963	4.8
173.05994	5.0
173.13295	2.4
175.11282	2.6
181.04984	23.8
187.11214	2.4
204.06560	8.1
214.17995	4.2
215.18359	2.3
221.10765	2.0
225.07762	2.3
235.08862	2.6
236.09502	3.7
237.10254	5.9
238.11113	3.2
239.11794	2.8
249.10197	13.9
250.10922	6.7
251.11758	17.1
252.12778	2.4
261.10251	4.2
262.10925	2.7
263.11780	29.7
265.09729	8.6
265.13412	3.8
267.11337	4.0
267.15662	2.9
269.12805	2.6
277.09769	8.4
278.10651	3.0
279.11288	12.7
280.11932	2.4
281.12839	2.7
285.12451	2.2
287.05594	3.1
291.11252	14.0
292.12155	2.7
293.09604	2.7
293.12823	8.1
295.10757	3.4
297.12338	3.9
307.10760	3.2
309.12167	4.3
311.13870	5.2
312.14841	2.1
323.10098	5.5
323.13849	4.5
324.11243	3.3
325.11987	8.0
326.12848	7.0
327.13736	3.6
328.14456	8.0
336.11063	3.7
337.11731	4.9
339.09488	3.6
339.13806	3.6
340.14499	15.2
341.15207	4.9
342.15961	7.3
352.14383	3.0
354.12396	8.8
354.16101	4.4
355.12979	6.6
356.13855	8.2
356.17792	3.3
357.14377	2.7
358.15182	2.3
367.12897	4.7
368.13849	13.3
369.14853	3.6
370.15472	9.6
372.17142	3.9
382.11407	4.2
382.15649	6.1
383.12198	2.5
383.16455	3.1
384.16962	8.1
385.13068	7.3
386.14227	2.5
386.18625	6.6
396.13287	6.7
397.14755	2.3
398.14902	7.1
400.16614	7.5
410.14703	2.5
413.17624	2.5
414.13519	3.1
414.18689	11.0
416.15265	3.5
417.15298	2.4
428.16122	10.3
430.17294	4.1
442.17783	6.5
443.18323	2.4
446.16861	2.6
458.17270	4.3
459.17807	2.5
460.18448	3.0
461.28479	2.9
470.16974	8.9
474.20337	19.1
476.21603	8.6
487.17398	57.9
488.11008	3.6
488.18152	74.5
505.72977	2.6
518.19269	58.3
519.20044	100.0
520.13916	2.7
520.20825	28.8
591.22333	3.1
609.23572	17.1
641.23901	8.2
641.36609	7.9
641.46246	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01868	2.1
55.05512	0.9
57.03458	0.7
57.66551	0.6
59.63769	0.6
65.03938	6.8
67.05515	3.2
69.03428	2.7
69.07064	0.8
71.04998	1.1
71.61529	0.9
78.04716	1.7
79.05511	3.8
81.03413	3.3
81.07063	2.0
82.04196	1.5
83.04987	0.9
85.02906	4.4
87.93895	0.6
91.05484	9.8
93.03394	2.1
93.07048	1.7
94.04196	0.7
95.04967	3.5
97.02911	1.9
97.06523	2.5
99.04471	1.5
103.05462	4.0
105.03382	0.9
105.07034	3.5
106.04185	1.1
107.04948	9.8
107.08619	1.4
109.02890	2.7
109.06514	2.2
109.10129	0.9
110.03662	3.8
111.04424	2.1
115.05444	9.5
117.07017	13.0
119.04957	3.7
119.08582	1.5
120.05717	1.8
121.06520	1.7
121.10133	0.8
122.46280	0.7
123.04475	3.9
124.05228	1.9
124.11229	1.5
125.05994	2.4
127.03937	7.8
127.05427	1.4
128.04259	1.1
128.06207	1.2
129.06989	1.2
131.04927	6.0
131.08495	1.2
132.05707	1.2
133.06487	2.9
133.10129	2.3
135.04413	3.0
135.08034	0.9
137.02336	0.7
137.05986	7.4
138.03120	1.2
140.04727	0.9
142.02609	3.1
143.04909	2.6
145.06490	18.6
145.10126	1.0
146.07272	0.8
147.04475	3.6
147.07982	1.1
148.05182	3.7
149.05989	1.5
151.04016	1.3
151.07541	1.7
152.04704	1.9
153.01857	2.9
153.05505	3.5
154.06296	1.0
155.04926	1.4
155.06032	5.2
155.07080	1.0
157.06471	0.7
159.04375	1.7
159.08139	0.8
160.05179	1.6
161.05994	3.6
161.09602	1.0
163.03824	0.7
163.07571	1.2
163.11191	1.7
165.01833	1.8
165.05475	10.1
165.09187	1.9
167.07047	53.2
171.04443	1.0
171.06552	3.7
172.05228	1.2
173.05989	23.3
174.06702	0.9
175.07544	4.7
176.04720	1.4
177.05489	2.9
180.04155	1.2
181.04965	100.0
183.02962	0.9
188.04782	1.1
189.05298	2.2
189.09140	1.5
190.06345	1.2
191.07027	7.6
191.10760	1.1
193.04993	1.2
195.06593	2.4
201.05507	11.7
202.06265	1.8
203.07047	9.6
204.06361	0.7
205.04982	1.3
205.08597	8.1
207.06480	1.6
208.07320	1.6
217.08519	4.4
219.06514	11.1
220.07259	3.7
221.08101	0.8
225.07480	3.9
231.06551	2.7
233.05771	1.2
233.08102	18.7
234.08861	15.1
235.07642	1.0
235.09659	6.4
247.07701	0.8
251.06964	1.0
253.08783	1.3
255.06299	0.7
265.08490	1.1
269.12738	1.2
279.06699	0.9
287.05441	8.5
287.13721	1.2
291.06796	0.8
291.10062	1.2
293.08194	0.9
299.05502	9.3
299.08844	0.7
310.08286	1.2
311.09192	0.9
311.19757	0.7
323.10019	1.1
325.07233	0.9
325.10760	1.6
341.43671	0.9
355.11768	3.1
357.13400	5.7
359.11267	4.4
367.11966	0.9
369.13519	0.9
383.11209	1.0
385.12820	28.6
386.13596	2.3
387.14120	2.3
397.05591	0.8
397.12659	2.9
398.13657	2.1
399.14990	1.3
415.13623	6.2
416.14700	16.8
417.15460	9.5
430.12442	0.9
461.11002	4.0
479.13101	0.9
609.22906	3.0
611.21167	3.2
641.22278	41.4
642.21924	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88585	0.3
55.01882	0.3
55.05511	2.1
55.05733	0.3
57.07072	1.1
58.06337	0.4
58.06605	6.0
67.05496	0.6
69.07074	0.4
69.60740	1.9
72.08157	11.7
73.06554	1.8
73.75961	0.3
74.17971	0.3
79.05473	0.4
81.07049	0.7
83.04993	1.9
84.08156	0.4
86.09711	20.0
91.05483	0.9
93.07013	0.4
95.05006	0.4
95.08587	0.6
97.06494	0.4
98.06034	0.6
98.09651	0.4
100.11261	100.0
101.06020	2.1
101.11579	0.7
105.07022	1.1
107.04961	0.4
107.08588	0.4
109.06506	0.3
109.10174	0.3
111.59746	0.3
116.25079	0.3
128.10765	0.4
140.14348	3.2
143.08209	0.3
145.10168	0.6
146.11778	2.9
154.12286	1.5
154.16017	0.4
172.13356	2.4
182.11786	0.6
200.12848	0.5
200.16533	1.1
206.56587	0.3
211.14522	0.4
214.14435	1.1
228.15948	6.2
232.74661	0.3
245.18542	0.4
245.51564	0.3
249.19855	0.4
285.21768	6.0
287.23755	0.3
299.23303	7.9
313.21271	0.8
327.22812	16.3
367.25900	0.5
395.25470	1.1
412.31857	0.5
427.28033	0.4
440.31235	2.6
458.32211	5.9
484.33945	0.9
498.35953	0.4
512.33252	0.4
611.43805	32.7
612.44116	1.0
621.39880	0.5
639.42822	10.3
640.41895	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	1.1
53.03959	7.4
54.58363	1.0
55.01867	3.5
55.05516	20.2
56.42402	1.1
57.03439	7.7
57.07085	1.5
59.04997	1.8
61.02934	1.1
61.17470	1.4
65.03937	5.1
67.05509	69.8
69.03071	1.4
69.03437	19.0
69.07069	18.1
71.01344	1.4
71.04198	2.3
71.04997	39.5
73.02928	1.4
79.05048	2.2
79.05496	42.3
79.28526	1.2
81.03423	48.5
81.07061	100.0
83.04982	15.6
83.08615	14.9
85.02894	6.2
85.06551	9.0
87.04478	1.9
91.05483	42.3
93.07053	45.2
95.04987	11.3
95.08608	21.9
97.02895	12.8
97.06548	11.9
97.10165	3.2
97.74721	1.6
99.04449	5.3
99.08080	3.2
105.04534	2.0
105.07043	20.4
107.04937	4.2
107.08602	31.7
109.02882	13.9
109.06523	4.6
109.10172	8.1
111.04440	5.6
111.08075	5.1
115.05428	1.6
117.07030	7.1
119.08617	7.8
121.06496	4.6
121.10153	15.0
123.04475	2.6
123.11710	9.8
127.03898	7.0
129.05463	2.5
129.07004	5.4
131.08588	12.0
133.06509	2.0
133.09239	1.3
133.10147	20.1
135.04440	1.8
135.11688	9.3
136.07585	2.0
137.05917	1.5
141.06961	1.4
143.08536	2.2
145.06503	1.4
145.10182	2.8
147.08029	2.4
147.11710	7.9
149.09628	1.9
149.13261	20.4
151.11165	5.7
155.08540	2.1
157.06429	2.0
157.10123	2.5
159.08061	1.7
159.11694	12.6
161.09651	1.2
163.11166	1.6
165.12747	3.9
169.10172	2.0
169.12248	1.6
171.06595	2.1
171.08115	1.4
173.04483	9.7
173.13144	1.3
175.11215	1.8
177.12755	9.8
183.06477	1.5
183.13821	6.2
185.13150	1.4
186.65056	1.2
187.13306	11.2
193.12274	2.5
195.13812	13.7
201.12659	1.4
201.14876	4.1
211.13300	1.3
213.14870	2.2
219.13777	1.1
227.12880	1.5
243.16002	1.7
257.17575	3.5
261.14832	1.4
267.15982	3.3
269.17551	10.3
275.16534	1.5
281.17725	1.5
283.19022	4.5
285.14713	1.8
297.17145	1.6
299.18646	1.8
303.15915	1.6
321.16934	1.4
339.18124	6.9
377.19089	2.6
395.20670	8.1
421.29294	3.6
427.23694	1.4
437.23550	2.0
437.29037	25.3
451.30591	6.4
453.31833	2.4
463.30609	5.8
495.33572	6.3
545.31323	3.0
563.32294	1.9
571.32184	1.5
589.33521	1.6
600.69348	1.3
607.24567	1.5
607.34741	15.0
621.35217	1.6
639.25189	2.3
639.37433	34.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3377
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71558	3.2
53.03947	16.9
55.01863	13.3
55.05513	33.3
57.03426	13.9
57.07078	3.9
65.03934	7.0
67.05507	100.0
69.03133	2.8
69.03442	36.1
69.07075	30.6
70.19266	12.0
71.01365	5.4
71.04992	13.6
73.02923	3.4
73.58541	2.9
77.03879	3.2
79.05051	4.9
79.05500	66.8
81.02968	6.3
81.03423	93.3
81.07061	89.5
83.01341	3.5
83.04985	28.5
83.08616	22.1
85.02904	15.0
85.06572	4.5
87.04500	4.7
91.05480	56.9
93.07056	68.6
95.04977	19.2
95.08614	46.8
97.02898	31.9
97.06541	20.2
97.10155	11.9
99.04459	12.4
99.08112	4.8
102.48747	3.2
103.05468	3.9
105.07035	27.4
107.04962	14.4
107.08604	41.5
109.02888	32.0
109.06535	8.3
109.10161	30.8
111.04449	13.2
111.08072	8.6
113.07579	3.3
117.07034	17.1
119.04904	4.8
119.08593	24.9
120.05331	3.7
121.06466	4.9
121.10159	30.2
123.08041	5.3
123.11681	4.1
125.09645	17.1
127.03934	25.6
129.07042	6.7
129.34102	3.7
131.08569	24.5
133.06490	5.3
133.10127	24.3
135.04346	3.8
135.08060	8.7
135.11685	16.9
137.09584	5.0
139.11160	4.2
141.07066	4.0
143.08595	3.5
145.04918	4.2
145.10136	14.1
146.78831	3.2
147.04425	20.7
147.07997	8.1
147.11708	10.6
148.04752	7.8
149.09592	4.8
149.13274	23.1
153.12714	9.8
157.10156	4.5
159.11691	11.2
161.09579	6.6
163.11186	23.7
165.05486	4.6
167.14398	4.4
171.11642	4.9
173.04446	32.5
173.09628	4.6
173.11740	5.5
175.11234	3.6
177.12791	5.5
181.12256	12.3
183.06494	5.3
189.16447	3.8
191.10637	10.7
193.10112	3.8
193.12154	4.4
195.13820	13.3
199.13222	4.2
203.17995	4.1
204.18118	3.6
209.11668	22.7
227.12732	26.8
229.14346	4.8
265.14386	3.9
269.17538	20.8
283.15384	10.8
303.16046	4.2
353.15836	10.8
423.27536	11.4
459.27252	7.0
477.28711	17.6
495.29388	5.7
522.35327	4.0
598.49011	3.5
621.32434	14.4
639.33545	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	639.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.4
53.03942	8.4
55.01876	5.1
55.05512	19.0
57.03440	9.5
57.07085	1.3
65.03938	2.7
67.05505	27.4
69.03434	15.3
69.07072	6.4
69.78793	6.1
71.05003	8.3
73.02901	1.6
79.05492	27.7
81.03419	100.0
81.07055	25.8
81.07502	1.5
83.04986	22.2
83.05436	1.7
83.08624	20.0
85.02902	23.9
85.06542	3.2
91.05486	34.0
91.06055	1.9
93.07042	18.5
95.04969	28.0
95.05530	2.2
95.08600	11.5
97.02899	18.0
97.03493	1.3
97.06550	5.0
97.10184	5.0
98.21397	1.6
98.97580	1.9
99.04446	8.0
103.05463	1.5
105.07029	30.0
107.04952	10.1
107.08585	11.3
107.09148	1.1
109.02871	17.1
109.06521	4.5
109.10174	3.4
111.04444	11.8
111.08088	9.7
113.06046	2.6
115.05434	2.1
117.07045	4.9
119.04999	1.9
119.08588	19.3
120.81143	1.0
121.06538	3.8
121.10146	10.9
123.04387	2.1
123.08082	3.3
123.11732	3.4
124.11240	1.3
125.09692	3.7
127.03004	1.1
127.03911	26.5
128.06229	2.0
129.05495	2.7
129.07019	12.1
129.95592	1.1
131.04971	2.5
131.08565	13.7
133.06517	4.1
133.10124	12.8
135.08099	3.0
135.11732	3.1
137.06033	2.0
137.09616	2.6
140.03424	1.2
141.07080	1.3
142.07854	1.4
143.08582	1.9
145.10182	4.4
147.04449	2.0
147.08083	4.9
147.11682	18.2
149.06036	3.0
149.09636	6.6
151.07607	1.1
151.11250	1.6
153.01779	2.4
153.12785	3.2
157.10120	12.0
159.08044	2.0
159.11728	1.2
161.09622	6.5
163.11234	7.8
165.12785	4.5
166.15616	1.2
167.07182	1.5
171.08182	1.3
173.06064	1.1
173.09671	2.6
175.11183	14.1
181.12250	3.1
183.06670	1.3
189.09222	2.7
191.07121	1.8
191.10742	3.1
193.12247	47.7
209.11794	1.5
211.13292	63.7
227.12694	6.0
229.14290	1.2
230.65578	1.1
235.13348	2.1
249.14888	1.4
259.13541	1.2
267.09033	1.2
267.15872	20.7
271.05981	16.3
271.94876	1.3
273.14951	2.7
274.16223	1.4
274.66422	1.7
277.14526	1.4
283.15652	3.2
285.16989	14.8
287.05637	5.0
301.14514	4.5
319.15573	2.9
337.16629	4.5
351.14380	1.8
355.17633	6.1
367.22711	1.5
375.18323	1.2
385.23749	2.3
393.19449	1.7
398.18817	1.2
411.20221	6.5
429.21652	3.0
459.27249	7.9
477.28421	12.4
495.29620	13.0
603.31995	3.2
621.32831	9.2
639.22882	2.6
639.33813	41.7
640.34082	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.5
53.42918	1.0
55.01880	6.6
55.05517	18.5
57.03442	10.9
65.03954	1.2
67.05507	23.1
69.03427	14.0
69.07071	7.3
69.46216	3.6
69.46647	3.5
71.05003	6.4
72.85580	1.0
79.05498	23.6
81.03423	100.0
81.07063	31.1
83.04989	18.9
83.05447	1.6
83.08630	18.1
85.02912	22.1
85.06547	1.8
86.09704	1.1
91.05483	29.8
93.07059	15.9
95.04976	27.6
95.08607	10.7
97.02894	12.4
97.03442	1.4
97.06525	6.0
97.10184	5.6
99.04465	4.1
99.08124	1.8
103.05485	1.1
105.07042	22.5
106.51421	0.9
107.04967	8.2
107.08607	8.4
109.02894	17.3
109.06508	4.8
109.10160	5.5
111.04449	13.9
111.08086	11.4
113.06014	1.9
113.90224	0.9
114.27919	0.8
115.05490	1.9
116.06307	1.0
117.07040	3.6
119.04999	1.5
119.08579	19.5
121.05776	1.0
121.06575	3.5
121.10158	8.8
123.04475	2.6
123.08103	2.7
123.11736	2.8
125.06037	2.1
125.09641	4.7
127.03929	12.8
128.06258	1.5
129.05545	2.2
129.07018	13.5
130.73318	0.9
131.08586	11.3
133.06535	3.6
133.10147	11.8
135.04503	1.1
135.08110	3.0
135.11739	2.6
137.06058	1.6
137.09622	2.8
138.98846	0.9
139.42148	0.9
140.47646	0.8
142.07802	2.7
143.08601	2.3
145.06525	2.7
145.10168	4.0
147.04536	1.2
147.07025	0.9
147.08128	3.9
147.11705	16.5
149.06053	1.0
149.09650	6.1
151.11253	1.0
153.12810	2.2
157.06512	1.1
157.10143	13.5
161.06096	1.3
161.09641	1.7
163.11232	4.5
165.09114	1.1
165.12775	4.4
169.10144	1.2
171.11682	1.1
173.04547	3.1
173.09682	2.0
175.11214	12.0
177.12796	1.2
181.10095	1.1
181.12308	3.5
187.11325	1.1
189.05492	1.2
189.09300	1.0
189.11252	1.7
189.12799	1.2
191.10747	2.3
193.12259	41.5
199.11107	1.2
209.11797	1.7
211.13304	69.7
227.12653	6.0
229.14400	1.9
235.13409	1.5
249.15002	2.7
265.21008	1.0
267.15936	22.2
273.14871	2.2
283.15579	2.1
285.16949	14.2
289.14380	1.1
301.14462	4.4
309.17358	1.3
313.16290	1.5
319.15381	2.8
321.43491	1.0
337.16534	2.7
349.21420	1.0
351.18277	1.3
355.17603	7.1
357.24469	1.4
367.22672	1.8
375.18472	1.8
385.23846	3.5
393.19266	2.9
403.24692	1.9
411.20068	5.6
429.21246	2.3
459.27176	8.7
477.28491	12.9
495.29617	15.5
495.36343	1.2
511.28931	1.3
561.30853	1.7
585.30615	2.4
603.31921	2.6
621.32727	10.7
639.33875	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	0.9
53.03943	5.8
55.01865	4.6
55.05513	17.9
55.41133	0.9
57.03441	6.6
61.57415	0.8
65.03930	1.0
67.05506	21.2
69.03426	12.7
69.07066	6.5
69.42097	7.3
71.01356	1.0
71.04990	7.1
71.09338	0.8
71.53096	0.8
73.02900	1.7
79.05493	23.4
81.03418	80.3
81.07057	27.7
83.01340	1.1
83.04981	17.3
83.08621	17.0
83.76081	1.0
85.02400	1.8
85.02901	17.8
85.06557	2.5
87.04436	0.9
91.05482	30.3
93.07043	17.1
95.04969	23.0
95.08610	8.9
97.02882	13.6
97.06526	5.1
97.10185	4.8
99.04438	8.2
99.08080	1.1
103.05496	1.3
105.04558	1.2
105.07028	30.1
107.04972	6.1
107.08608	9.1
109.02881	16.0
109.06487	4.8
109.10168	3.6
111.04434	9.4
111.08081	7.8
113.06017	1.7
115.05502	2.0
117.06995	4.1
119.04966	2.5
119.08578	18.0
121.02870	1.0
121.06489	4.7
121.10129	9.9
123.04436	2.1
123.08108	4.1
123.11709	2.4
125.06017	1.0
125.09650	3.9
127.03919	30.6
127.79953	0.8
128.06235	1.3
129.05507	1.2
129.07011	10.4
131.04915	1.8
131.08583	9.7
133.06490	4.4
133.10135	15.3
135.08102	2.2
135.11678	2.3
137.05934	1.9
137.09641	1.7
142.07776	1.5
143.08543	1.8
145.02928	1.2
145.06532	1.4
145.10109	5.4
147.04416	1.0
147.08072	3.0
147.11691	13.5
149.09612	5.4
151.11183	1.0
153.01823	5.1
153.12793	2.2
155.08574	1.0
157.06572	1.3
157.10136	10.5
159.08018	1.0
161.09634	9.8
163.11154	7.0
165.12784	3.7
171.02946	1.2
171.08107	1.2
173.04463	1.4
173.05959	1.0
173.09647	2.5
175.11176	13.0
179.10715	2.7
181.12321	2.6
189.09113	2.9
189.11148	1.1
189.12729	1.4
191.10719	2.1
193.12256	34.4
193.20279	0.9
207.10220	1.8
209.11777	2.1
211.13292	51.1
227.12692	5.9
233.15350	1.1
235.13225	1.0
235.71172	0.9
249.15083	1.6
265.14670	1.4
267.15930	15.5
271.06015	100.0
272.06461	3.3
273.14917	1.7
277.14398	1.3
283.15540	1.8
285.16980	9.0
301.14438	3.3
309.16858	1.4
313.16495	1.2
319.15494	1.6
323.15164	1.0
333.13162	1.5
337.16473	2.6
344.86737	1.0
349.21310	1.3
351.14587	2.0
355.17477	5.7
367.22775	1.1
375.18082	1.3
385.23889	2.6
393.19177	2.0
411.20087	4.5
429.21164	2.2
459.27567	7.1
477.28430	10.6
478.28525	1.0
495.29617	10.2
511.28363	1.1
573.30859	1.1
585.30450	2.4
603.32251	2.2
621.32770	7.2
639.33765	32.0
639.43170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03941	1.2
55.01865	1.0
55.05504	1.9
57.03435	0.8
57.17091	0.5
59.70913	0.5
67.05505	5.7
69.03425	4.0
69.07056	1.5
71.61676	0.8
73.02934	0.6
79.05498	5.0
81.03419	8.2
81.07061	4.4
83.04973	2.2
83.08616	1.6
85.02912	3.4
85.06551	0.5
91.05491	4.9
93.07055	3.9
93.51686	0.5
95.04969	3.1
95.08607	2.3
97.02891	3.0
97.06519	0.9
97.10159	1.1
99.04451	2.1
103.05450	0.5
105.07030	9.0
105.07674	0.9
106.07344	0.6
107.04958	1.3
107.08595	2.7
109.02879	2.4
109.06500	1.7
109.10163	1.9
111.04455	1.1
111.08083	1.0
117.07020	1.6
117.58601	0.5
119.00381	0.5
119.04950	1.2
119.08576	2.2
121.02650	0.7
121.06504	1.5
121.10161	2.1
123.04416	0.8
123.08088	1.3
125.09614	1.1
127.03928	12.4
129.07021	0.9
131.04919	0.6
131.08583	2.0
133.06500	1.3
133.10138	6.7
135.08015	0.8
135.11691	0.8
137.06012	0.5
137.09581	1.0
143.08566	0.9
145.10141	1.6
147.04456	1.2
147.08040	0.6
147.11702	1.5
149.09613	1.3
149.13405	0.7
153.01830	1.6
155.08504	0.6
157.06589	0.7
157.10139	1.1
159.11679	0.8
161.09654	5.0
163.11160	2.4
165.09128	0.9
167.10460	1.6
171.08058	0.6
173.04526	0.7
175.11200	0.7
177.12813	0.6
179.10693	1.3
189.09146	1.5
189.12856	0.7
193.12161	2.4
195.09935	2.4
207.10292	0.8
209.11644	2.2
211.13338	1.8
229.12149	0.7
229.14285	0.5
233.15419	0.6
235.13324	0.6
267.15985	1.5
271.06027	23.5
283.15576	1.2
287.05588	1.7
300.83951	0.5
305.02927	0.9
305.08395	0.6
305.11826	1.7
311.14609	3.2
329.15799	5.2
347.00894	0.5
348.23117	0.5
351.12045	4.1
385.23801	0.7
459.27551	1.5
459.33716	0.7
477.28619	2.2
477.35052	0.6
495.28818	0.8
607.24695	0.8
621.32758	0.9
639.28040	100.0
640.28687	3.3
644.62567	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34986	0.6
51.44611	0.8
53.03942	1.8
55.01858	1.1
55.05504	3.2
57.03433	1.8
58.06174	0.9
59.97100	0.7
65.03935	0.8
67.05507	9.4
69.03439	4.5
69.07060	2.7
69.52174	1.9
69.52576	3.6
70.23519	0.8
71.05000	1.4
79.05495	5.8
81.03420	10.5
81.07057	9.6
81.77393	0.9
83.04980	4.5
83.08628	1.9
85.02897	2.1
85.06580	1.3
86.09704	1.2
91.05486	7.0
93.07045	6.0
95.04972	3.5
95.08602	3.9
97.02899	3.2
97.06556	1.0
97.10128	0.7
99.04476	1.1
105.07052	5.4
107.04957	1.7
107.08611	3.9
109.02837	1.9
109.06525	1.1
109.10150	3.3
111.04430	1.9
111.08123	1.5
117.06992	1.2
119.08604	3.8
121.06558	1.4
121.10170	2.6
123.11709	1.2
125.09673	1.0
127.03905	2.6
127.96846	0.7
128.92674	0.7
129.07013	1.1
131.08577	3.1
133.10130	2.1
135.08047	0.8
135.11665	1.4
137.06032	0.8
137.09592	1.2
145.04970	1.4
145.06526	1.1
145.10167	1.7
146.05728	1.0
147.06544	1.4
147.11685	2.2
149.09650	1.2
149.13200	0.9
153.01877	0.9
157.10065	1.3
159.11656	1.2
163.11179	1.0
167.11951	1.0
173.59297	0.7
175.11177	1.0
177.12723	1.1
188.06828	3.3
193.12244	2.3
209.11749	1.8
211.13219	2.2
221.09247	0.7
227.05566	3.2
227.12704	1.8
267.15860	1.4
269.17340	0.9
283.15549	1.2
293.12610	1.3
294.94672	0.8
297.12424	1.2
303.11020	0.9
311.13708	13.9
315.10983	1.3
316.11826	3.0
317.09067	1.6
317.12589	6.8
318.13412	3.8
319.10526	6.7
351.12894	1.5
359.10013	1.2
360.10648	3.9
361.11594	67.0
362.12308	5.5
367.22961	0.8
393.14130	10.1
396.19980	0.9
413.17877	0.9
439.18848	1.6
440.19647	4.8
444.18884	1.2
456.18182	0.9
458.19077	1.0
459.27255	0.9
459.34506	1.2
466.16577	0.9
477.28473	1.7
483.17642	8.0
484.17953	2.4
485.19080	4.3
486.19897	6.7
502.18207	1.3
515.19647	1.3
516.20721	2.3
518.22736	1.0
563.26263	14.5
564.25726	0.8
595.28894	1.4
607.25287	100.0
608.25366	3.1
621.32239	1.2
639.27625	37.9
640.28192	1.4
657.27466	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	639.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.4
55.05507	1.4
65.03942	2.0
67.05495	1.4
69.03426	4.0
69.70624	5.3
71.04979	1.5
78.25352	0.8
79.05515	1.4
81.03413	4.4
81.07044	1.3
83.08592	0.9
85.02892	2.4
85.60913	0.7
91.04958	1.1
91.05481	15.5
93.07063	1.7
93.53701	0.8
95.04967	1.3
97.02879	1.8
99.04440	3.0
99.05050	0.8
100.11272	1.5
103.05450	0.7
105.07021	8.6
107.04959	6.4
109.02874	2.6
109.06479	0.8
109.10143	0.8
117.07058	0.8
119.04940	25.4
119.08567	1.1
121.02840	1.8
121.06520	1.3
123.08064	1.3
124.11196	3.6
127.03912	16.8
129.07097	0.8
131.04938	1.9
131.08586	1.4
133.06450	1.2
133.10118	5.0
135.08055	1.3
137.05991	13.3
147.04410	100.0
149.05983	1.5
149.73958	0.9
151.03889	1.2
151.07555	9.2
153.01799	3.0
157.06456	0.9
159.04166	1.7
159.45801	0.7
161.05974	1.2
161.09624	7.2
163.07521	2.4
163.11212	1.5
165.05464	2.2
167.07101	1.0
175.03917	2.6
175.07518	2.2
177.05455	1.7
177.09129	0.9
178.07767	1.1
179.10669	1.2
182.15323	1.2
189.05255	7.3
189.09131	3.3
190.06113	0.9
191.07034	0.9
195.08226	1.1
195.10197	3.3
201.05493	1.1
203.06967	1.4
207.06546	6.5
207.10240	1.4
210.14906	1.3
210.59407	0.9
223.07579	1.0
225.05653	0.8
227.10605	1.3
229.08591	2.1
245.09671	1.3
247.07491	1.0
249.08980	1.0
253.08617	1.7
253.12294	1.1
267.10199	1.4
271.06003	28.4
273.09125	3.1
274.09708	0.8
277.08511	2.1
279.10172	1.1
280.37338	0.7
281.08160	1.0
285.11285	1.2
287.05493	1.8
287.12921	1.6
289.05032	1.4
289.08603	0.9
290.05899	1.4
290.09393	2.0
291.08777	1.9
293.08167	1.1
293.11581	0.9
301.08615	2.2
305.08072	2.9
305.11780	3.3
307.09698	2.6
309.09961	2.5
311.12747	3.1
313.14209	1.3
315.09875	0.9
318.08813	4.1
319.09756	1.5
321.07980	1.0
321.11365	3.0
331.15512	4.8
333.11099	13.6
337.10684	3.4
337.14288	1.6
339.12503	4.9
347.12656	1.4
350.11392	1.9
351.11493	1.0
355.15448	2.5
365.13849	11.2
383.14877	33.4
427.15591	0.9
431.14740	1.1
444.17377	2.1
459.17871	9.4
477.19052	4.3
583.96381	0.8
638.39514	0.9
639.23779	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	639.207
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05803	0.2
53.03942	0.4
55.01871	0.4
55.05515	1.0
57.03432	0.4
65.03934	0.2
67.01870	0.4
67.05505	2.0
68.99805	0.4
69.03426	2.1
69.07050	0.6
71.04997	1.4
77.03965	0.2
79.05495	1.7
81.03425	3.4
81.07065	2.2
83.04976	0.9
83.08609	0.7
85.02909	1.2
85.06546	0.2
91.05479	2.7
93.07051	1.8
95.04984	1.1
95.08621	1.5
97.02915	1.0
97.06547	0.3
98.20768	0.5
99.04462	4.1
103.05494	0.3
105.07042	9.9
107.04968	0.5
107.08580	1.2
109.02893	1.3
109.06523	0.5
109.10154	0.9
111.04430	0.8
111.08072	0.6
115.05429	0.4
117.07018	0.3
119.04955	2.3
119.08611	1.8
121.02863	0.9
121.06501	0.7
121.10155	1.0
123.04425	0.2
123.08070	0.8
123.11707	0.6
125.09604	0.3
127.03923	7.5
128.06236	0.3
129.07040	0.3
131.04947	0.2
131.08571	0.7
133.06505	1.1
133.10127	6.0
135.08043	0.4
135.11711	0.4
137.05963	0.3
137.97011	0.2
139.07536	0.4
143.08565	0.7
145.02882	1.5
145.06511	0.3
145.10114	0.7
146.07253	0.4
147.04378	0.4
147.08037	0.2
147.11668	0.7
149.09598	0.4
149.13257	0.3
151.11208	0.4
153.00702	0.3
153.01840	6.2
157.10104	0.5
159.11748	0.3
161.09627	9.8
163.03925	0.6
163.11197	3.0
165.09180	0.4
171.02899	1.2
171.08038	0.2
175.11137	0.5
179.10678	5.0
187.03987	0.3
189.09154	1.8
191.10562	0.2
191.14259	0.2
193.12221	1.0
203.07034	0.5
205.12233	0.2
207.10213	1.6
209.11702	0.2
211.13304	1.3
225.05521	0.6
229.04926	0.4
229.19954	0.2
233.60901	0.2
243.06493	0.3
267.15952	0.7
271.06018	100.0
272.06274	1.3
283.15463	0.2
285.17032	0.4
287.05603	0.3
333.13297	0.4
345.84106	0.2
351.14392	1.7
369.15237	0.5
459.27609	0.4
459.34613	0.6
477.28189	0.7
477.35663	0.5
495.29391	0.3
621.32599	0.4
639.27991	0.7
639.33539	0.6
639.42548	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.0831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.7
53.03950	4.9
55.01865	2.2
57.03427	2.7
61.02935	0.7
61.33245	0.6
65.03925	0.9
69.03434	17.1
71.01345	1.8
71.05006	1.5
79.01860	0.9
81.03420	33.6
83.01334	1.4
85.02906	11.4
92.99733	0.6
93.03389	0.8
95.01331	11.3
97.02269	1.2
97.02897	23.4
99.04472	3.1
101.02378	0.8
105.03358	0.8
106.68317	0.6
107.01323	0.8
109.02879	18.4
110.09668	0.9
113.02375	4.0
119.01221	0.6
121.02870	2.1
123.00774	1.5
125.02337	2.2
125.12029	0.7
127.03925	8.3
133.02802	1.2
137.02365	2.4
139.00290	0.9
141.01866	2.1
145.02904	1.1
145.04979	2.5
147.04384	0.9
149.02342	2.0
151.00241	0.8
153.01814	1.5
161.02361	1.9
163.03914	2.3
165.01842	6.4
167.03357	3.8
169.01384	0.7
173.02341	1.4
174.03006	0.7
174.20842	0.6
175.00319	0.7
175.03915	1.0
177.01828	2.4
179.03426	2.6
182.99370	1.1
183.04424	0.8
185.02161	0.8
187.02386	0.6
187.03975	0.9
189.01843	6.7
190.02684	0.7
191.03409	6.9
193.01338	30.3
195.02861	1.4
197.06071	0.6
199.03926	1.1
201.01907	3.2
201.05602	0.7
203.03488	2.6
204.00560	0.7
205.01381	2.4
207.02905	1.6
213.01801	0.8
213.05542	0.8
215.03416	2.1
217.01303	9.5
218.02118	1.9
219.02867	5.9
221.00830	28.8
222.01221	0.7
227.03424	1.0
229.01358	2.6
229.04980	0.8
229.66518	0.8
230.02014	0.9
231.02869	6.3
235.02400	2.7
239.01582	3.4
241.05005	1.7
243.02890	2.4
245.00835	23.3
246.01491	1.7
247.02377	10.8
253.05084	0.9
255.03035	1.5
257.00775	6.3
258.01669	1.7
259.02420	4.4
263.01889	14.9
267.01160	1.2
269.04510	1.5
271.02405	2.9
273.00317	9.0
273.03510	1.1
274.01236	1.3
275.01862	10.9
276.02795	1.5
277.03491	2.0
283.99561	1.0
285.00302	1.8
285.04120	1.2
287.01895	1.9
291.01419	3.2
292.02243	1.3
295.02347	1.2
297.03885	2.5
299.01865	1.9
300.99838	4.4
301.03305	1.4
302.00546	2.0
303.01370	13.2
303.04810	1.2
303.80441	0.7
311.01733	0.8
312.99829	1.1
313.03445	1.7
315.01328	1.2
315.04861	0.9
317.02881	1.1
319.00940	1.1
323.02075	1.0
325.03354	1.1
327.01370	1.4
331.00931	1.0
341.03076	1.5
357.02573	1.0
365.05118	0.9
387.03549	1.2
403.03482	1.3
419.06091	0.8
421.04251	0.7
431.02448	4.1
449.03513	6.6
459.01962	63.9
460.02341	1.6
477.03033	100.0
478.03171	2.3
495.03922	2.1
593.07593	2.4
603.06128	1.8
621.07269	6.4
639.08331	8.7
639.19818	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00318	0.9
55.01861	1.0
55.05299	1.3
55.05515	14.5
57.03428	1.8
57.07078	18.2
67.05202	1.2
67.05508	12.5
69.06714	1.2
69.07071	18.6
71.04986	1.6
71.08629	11.9
71.61374	1.3
73.86513	1.2
73.90358	0.9
73.98373	1.3
79.05476	3.2
81.07056	14.3
83.08626	18.2
85.06541	1.3
85.10174	7.2
91.05460	1.0
93.07054	7.2
95.08613	12.3
97.06520	3.8
97.10148	4.5
98.98445	1.1
105.07042	1.4
107.08604	7.6
109.10154	8.1
111.08088	2.5
114.29176	1.0
121.10125	2.8
123.11673	2.5
127.06966	1.0
137.13297	1.3
149.13255	10.4
155.01009	2.1
167.14336	5.2
185.15247	1.3
202.15892	2.5
212.11406	1.0
228.19568	4.3
239.17285	1.0
239.23743	3.4
241.17978	16.5
259.18976	3.0
282.28015	1.2
300.13559	3.0
313.27274	3.1
393.23917	1.3
472.72504	1.1
497.42007	100.0
498.42047	2.8
638.42731	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.7
55.05505	6.8
57.03429	2.2
57.07078	2.2
65.03959	2.7
65.11739	1.2
67.05509	13.1
69.03419	1.7
69.07076	12.8
69.34322	11.9
71.05010	1.2
79.05498	11.4
81.03416	2.5
81.07059	24.5
83.05002	1.4
83.08624	9.9
91.05478	20.4
93.07047	19.0
95.04955	3.1
95.08612	36.8
97.02816	1.4
97.10184	3.1
98.20668	2.5
101.69186	1.4
103.93225	1.2
105.07030	20.0
107.04973	1.4
107.08601	31.1
109.02884	1.8
109.10160	15.6
115.05459	1.3
117.07040	2.8
119.04947	26.8
119.08591	26.0
121.10152	25.1
123.08040	1.7
123.11744	8.5
129.00977	1.2
129.07030	2.2
131.08537	4.5
133.10129	16.2
135.11707	16.5
137.13275	10.9
143.08577	5.5
145.10156	11.3
147.04420	100.0
147.11690	14.6
148.04745	4.3
149.13277	13.5
151.14787	2.6
153.09074	2.0
157.10136	2.1
159.11720	7.5
161.13290	10.0
163.14824	4.9
165.05495	24.1
171.11674	4.8
173.13298	8.4
175.14822	10.1
177.16399	24.1
182.99104	1.3
185.13281	2.0
187.14809	7.3
189.16394	21.6
191.17963	7.8
197.13271	2.2
199.14801	4.2
201.16415	10.5
203.17966	27.8
205.15991	2.0
207.17455	2.1
213.16399	11.9
215.17952	9.2
217.19496	5.0
219.13792	1.4
227.18016	1.9
231.17470	2.4
235.16867	3.1
241.19562	3.7
243.21074	1.5
247.16965	3.0
249.18507	2.9
253.19524	1.4
259.16980	8.9
261.18524	2.0
267.21124	1.7
281.17487	3.4
287.20105	2.3
391.33551	4.9
409.34644	10.8
411.32602	11.1
437.34253	21.8
455.35202	31.2
475.30508	4.2
517.28076	1.3
606.08466	1.6
628.55664	1.3
637.40710	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	637.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01876	2.3
55.05505	7.0
57.03440	17.9
57.07080	32.8
61.02932	53.4
61.03242	3.0
61.29058	1.5
67.05508	11.9
69.03438	26.0
69.07071	5.8
71.01364	1.7
71.04998	2.4
71.08634	21.4
71.62034	3.4
73.02924	21.2
79.05498	3.2
81.03422	17.6
81.07065	13.3
83.04971	2.2
83.08629	9.2
85.02909	70.3
85.10186	13.3
87.04473	3.2
88.40055	1.5
89.06038	2.8
91.03965	37.4
91.05488	3.5
93.07073	2.5
95.04976	2.2
95.08611	20.8
97.02902	63.7
97.10165	5.1
99.00796	1.6
99.04480	10.0
101.02378	6.0
103.03936	7.2
107.08549	2.4
109.02899	14.0
109.10152	10.1
111.04401	2.0
115.03934	7.2
119.04913	3.0
122.10545	2.1
123.11738	4.4
125.09662	1.7
127.03924	29.1
127.54233	1.5
129.05511	4.8
133.10081	1.9
143.08734	1.5
145.04962	17.6
145.10048	2.1
147.04428	4.8
149.01216	1.9
149.02362	1.8
159.06496	2.2
163.05977	3.6
183.06522	9.5
201.07611	7.1
239.23735	18.8
245.57127	1.8
257.24829	2.5
304.18097	1.8
313.27383	100.0
314.27679	2.3
314.58331	1.5
341.26855	3.4
347.67499	3.3
348.17383	3.8
349.16965	3.2
355.28543	2.4
439.30765	3.2
457.31601	13.0
468.32751	1.7
637.28754	5.3
637.38062	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	637.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	10.6
55.01863	10.7
55.05258	1.5
55.05513	24.7
57.03438	10.8
59.04997	3.3
67.05507	29.0
69.03430	20.6
69.07078	7.8
69.47417	10.0
71.04980	8.8
73.02912	1.5
79.05051	1.9
79.05497	36.9
81.03419	100.0
81.07064	32.9
83.01337	4.3
83.04983	23.7
83.08622	19.8
85.02908	17.9
85.06536	3.3
91.05483	29.6
93.07053	28.5
95.04974	23.2
95.08617	10.3
97.02890	18.5
97.06538	7.4
97.10163	7.0
97.38397	1.3
99.04471	7.4
99.08117	2.0
103.05477	2.9
105.07027	22.0
107.04958	13.1
107.08602	17.2
109.02888	22.7
109.06493	6.6
109.10149	6.2
111.04440	18.0
111.08088	9.3
115.05449	3.2
117.07019	7.7
119.07788	1.7
119.08585	16.2
121.02962	1.1
121.06507	6.4
121.10135	10.2
123.04429	3.4
123.08057	7.4
123.11693	2.0
125.05980	2.3
125.09629	5.5
127.03935	13.5
128.06194	1.6
129.05522	1.4
129.06999	8.1
130.07837	2.3
131.04956	2.7
131.08557	10.0
133.06456	3.7
133.10159	7.4
135.04436	1.7
135.08047	3.8
135.11678	10.7
137.09581	2.4
142.07770	1.4
143.08525	2.4
145.04970	1.6
145.06467	2.1
145.10135	12.7
147.04404	3.0
147.08041	5.0
147.11690	10.8
149.05905	2.0
149.09618	4.7
151.11172	1.7
153.12740	8.8
155.08571	1.9
157.10124	7.4
159.11661	1.6
161.05956	2.2
161.09605	1.5
163.11183	17.4
165.09131	2.4
165.12784	3.5
167.07042	1.5
171.11641	2.1
173.04483	3.7
173.09671	2.4
175.11205	7.7
181.12206	10.5
189.11230	3.1
189.12807	1.7
191.10689	7.2
193.12256	26.3
199.11186	1.5
206.23105	1.3
209.11752	9.3
211.11296	2.8
211.13300	40.1
227.12781	18.0
249.14938	2.2
267.15875	9.0
273.14850	2.8
283.15439	9.8
285.17081	3.4
289.14301	2.2
301.14050	2.3
319.15305	2.0
337.16473	2.1
353.15927	3.8
355.17795	6.8
383.22079	5.4
401.22974	1.5
409.18689	2.2
411.20035	3.9
427.19833	2.4
457.25833	4.2
475.27054	11.0
493.28024	12.7
517.28229	1.5
601.29639	1.9
619.31476	8.0
637.31995	60.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33963	1.4
53.03952	7.3
55.01880	13.3
55.05512	22.7
57.03440	8.6
57.03680	1.5
57.94975	1.3
59.05001	1.9
65.03918	2.8
67.05505	35.2
69.03429	19.5
69.07070	8.5
71.01337	1.4
71.04996	10.0
79.05496	37.4
81.03419	100.0
81.07058	34.2
83.01340	5.5
83.04980	26.6
83.08622	19.8
85.02908	16.9
85.06547	2.7
91.05485	33.0
93.07050	33.1
95.04965	20.9
95.08609	14.8
96.89930	1.8
97.02895	20.0
97.06527	6.3
97.10150	7.4
98.20756	2.9
99.04479	8.9
99.08037	1.6
103.05512	2.3
105.07028	21.0
107.04957	12.8
107.08593	15.7
109.02895	20.0
109.06529	4.8
109.10143	4.6
111.04461	15.2
111.08053	7.8
115.05476	2.6
117.07027	11.1
119.04969	2.0
119.08585	17.8
121.06531	4.5
121.10169	13.7
123.04416	3.5
123.08085	6.5
123.11707	3.2
124.11252	1.5
125.05967	2.2
125.09631	6.9
127.03917	14.2
128.06207	2.1
129.05478	3.2
129.06990	11.9
131.04951	2.2
131.08572	11.9
133.06491	3.5
133.10141	6.8
133.11049	1.8
134.81490	1.3
135.08054	3.2
135.11684	13.0
137.06003	2.7
137.09625	2.9
143.08534	3.0
145.06491	2.8
145.10130	12.0
147.04446	2.7
147.08044	4.1
147.11693	11.7
149.06020	2.4
149.09634	6.1
151.11211	2.1
153.12782	10.1
155.08578	3.9
157.10144	7.8
159.11690	1.7
161.05949	2.2
161.09541	1.5
163.11174	20.8
163.12460	1.5
165.12779	3.1
171.08125	1.7
171.11743	1.9
173.04442	2.7
173.09618	4.0
175.11166	9.5
181.12251	7.4
183.11752	1.5
189.09192	2.0
189.11220	3.3
189.12808	2.4
191.10674	8.2
193.12262	28.4
195.13771	2.0
203.14328	1.8
209.11729	9.3
211.13286	43.9
227.12769	16.2
229.12350	1.6
229.14371	1.9
265.14441	2.0
267.15945	7.6
271.05728	1.6
273.15057	2.2
283.15527	12.1
285.17007	3.7
301.14413	1.7
335.15402	1.5
337.16425	2.9
351.13504	2.0
353.15833	5.8
355.17416	7.8
375.18091	1.9
383.22217	2.1
393.19409	1.7
401.22769	1.9
411.20276	4.6
433.35947	1.5
434.41968	1.6
457.25790	3.4
475.26935	7.6
493.28030	13.9
605.23663	2.4
619.30951	6.4
637.32166	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	635.3946
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03955	1.1
55.05514	2.5
57.07083	1.5
65.03942	2.3
67.05505	5.4
68.20866	0.9
69.07079	3.8
70.13737	4.8
74.22441	0.9
76.76378	0.9
77.89143	0.9
79.05502	5.4
81.03423	1.3
81.07063	13.4
83.04974	4.5
83.08630	2.9
85.02922	0.8
91.05484	21.4
93.07052	11.7
95.04983	2.5
95.08612	18.5
97.06525	1.3
97.10167	1.0
105.07038	17.4
107.08604	19.0
109.06467	1.6
109.10151	9.4
109.24887	0.9
111.08105	1.2
115.65195	1.0
117.07027	3.0
119.04955	28.9
119.08582	25.8
121.10155	15.5
123.08077	1.4
123.11718	4.6
125.09646	3.6
129.07005	1.9
131.08577	8.1
133.10147	16.2
135.11707	6.6
137.09694	1.0
138.34297	0.9
143.08571	3.8
145.10130	16.2
146.10460	1.1
147.04417	100.0
147.11682	9.1
149.13275	3.4
151.11185	1.9
157.10152	3.8
159.11700	13.6
161.13278	6.1
163.11142	1.0
163.14832	3.6
171.11702	4.1
173.13271	8.9
175.14813	5.6
177.16418	5.0
185.13147	1.3
187.05499	0.9
187.14851	13.7
189.16374	11.7
191.14336	4.0
191.17953	6.9
193.15717	1.4
199.14876	3.7
201.16391	20.7
203.18008	3.3
205.15944	3.9
211.14954	1.2
213.16383	9.0
215.17941	8.8
217.15909	2.1
217.19550	2.1
219.17458	14.0
227.17958	1.5
229.19565	1.2
233.19022	2.9
235.16940	8.1
241.19518	1.6
243.21136	1.5
247.17017	6.1
255.21028	2.0
259.08548	1.5
261.18442	1.8
267.21207	2.7
269.22601	1.1
281.22824	1.4
364.80386	0.9
389.31870	3.4
399.20419	1.2
407.33133	21.6
409.34601	2.4
414.04883	1.2
435.27219	1.0
435.32388	5.1
453.33716	17.6
471.34064	1.4
497.30814	1.1
583.51794	1.1
635.39764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17838	0.6
55.92767	0.6
57.03436	0.8
57.06825	1.1
57.07080	17.7
66.88622	0.6
67.05508	20.7
69.07072	8.8
69.69311	4.2
71.04988	2.5
71.08636	11.4
71.72289	0.6
79.05486	4.8
81.07061	34.1
82.65556	0.6
83.08627	6.1
85.03665	0.5
85.06539	5.3
85.10191	6.5
91.05474	2.5
92.88348	0.7
93.07039	1.8
95.08610	37.3
97.06541	1.4
97.10176	2.4
98.98490	0.8
99.08065	1.2
105.07037	3.2
107.08603	0.7
109.10151	4.4
119.08622	3.6
121.10153	1.5
121.86341	0.6
123.11723	3.5
135.11732	1.0
137.13261	1.2
147.11693	5.2
155.01068	0.8
157.19029	0.7
165.12759	2.6
183.13834	1.3
200.94302	0.8
201.14856	1.4
202.66684	0.8
208.16966	7.6
226.18086	6.1
239.23763	1.9
257.17590	1.6
282.27887	0.9
306.14740	3.2
313.27414	2.2
324.03510	0.6
324.15979	0.9
362.17490	1.9
380.18356	5.3
420.47110	0.7
495.40472	100.0
496.40988	2.4
618.41437	9.4
636.45721	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3945
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03932	0.9
55.05507	3.1
56.82891	0.7
57.03433	0.9
57.07059	1.5
65.03922	2.2
67.05499	6.3
69.03426	1.1
69.07060	5.5
72.80464	0.8
79.05507	5.1
81.03410	1.1
81.07057	13.6
83.04977	2.8
83.08629	2.4
91.05477	19.4
93.07047	14.2
95.04948	2.6
95.08616	21.2
97.06513	0.9
97.10193	1.5
99.08112	1.1
105.07034	14.6
107.04976	1.7
107.08601	21.2
109.06544	2.2
109.10161	11.8
111.08108	1.7
117.07001	4.3
119.04946	24.5
119.08582	24.9
121.06513	1.0
121.10137	14.3
123.04464	1.3
123.08060	1.8
123.11707	4.4
125.09636	4.5
129.07014	1.4
131.08554	10.8
133.10129	17.1
135.08043	1.1
135.11682	6.0
137.09615	1.6
137.13292	1.2
142.07797	0.9
143.08589	3.9
145.10129	17.2
147.04414	100.0
147.11684	9.7
149.09605	2.0
149.13283	5.4
151.11205	1.7
153.09050	1.5
157.10103	3.4
158.10951	1.1
159.11690	16.8
161.13286	9.5
163.11159	1.0
163.14835	3.9
165.05496	7.4
169.10277	0.9
171.11777	3.9
173.13257	7.7
175.14842	9.8
177.16394	5.5
183.11678	1.7
185.13268	2.5
187.14828	23.4
189.14735	1.7
189.16391	18.3
191.14310	3.6
191.17946	3.8
193.15982	1.1
197.13208	1.5
199.14873	4.7
201.16393	20.8
203.14352	1.0
203.17981	8.5
205.15846	4.4
209.77478	1.0
211.14606	1.4
213.16393	8.7
215.14503	1.1
215.17944	10.6
217.15895	3.7
217.19385	1.7
219.17439	10.9
225.16397	1.1
227.17947	1.0
228.58185	0.8
229.15913	0.9
229.19431	1.8
231.17474	2.0
233.19052	3.3
235.16853	6.6
239.17900	1.2
241.19568	3.0
243.21109	1.3
247.16951	5.7
253.19476	1.0
255.21143	1.3
261.18509	3.7
266.98285	0.8
267.21167	2.5
269.22556	1.0
281.22537	0.9
286.20947	0.8
287.20053	1.0
297.26117	0.8
349.29056	1.0
389.31982	4.2
395.29239	1.6
407.33060	19.2
409.34622	2.3
423.32513	1.1
425.33972	1.8
435.32739	6.1
453.33694	13.8
635.36743	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93168	0.7
55.05509	2.9
65.03931	2.6
67.05508	4.7
69.03430	0.7
69.07078	3.4
70.38622	2.4
79.05487	4.1
81.03423	2.2
81.07066	9.3
83.04973	3.2
83.08629	1.7
86.09705	0.7
91.05484	19.5
93.07049	9.5
95.04983	1.5
95.08617	14.6
97.06532	1.0
101.95123	0.6
103.13892	0.6
105.07024	10.5
107.04986	0.8
107.08591	15.2
109.10168	8.7
111.08102	1.8
117.07057	1.4
119.04955	30.9
119.08588	13.9
121.10154	10.7
123.11700	3.2
124.90147	0.8
125.09673	3.4
129.06937	0.7
131.08574	5.3
133.10141	11.5
135.11705	5.0
137.09637	1.2
143.08574	3.4
145.10109	11.1
147.04416	100.0
147.11703	6.0
149.13229	3.5
151.11172	1.5
153.09087	0.8
157.10178	2.7
159.11702	11.3
161.13240	5.3
163.11133	0.9
163.14857	2.7
165.05470	2.8
169.10132	1.2
171.11728	2.3
173.13254	4.7
175.14853	5.2
177.16435	3.1
183.11687	0.9
185.13342	1.0
187.14824	14.1
189.16415	10.1
191.14296	3.4
191.17924	3.4
197.13295	1.2
199.14880	3.9
201.16406	14.6
203.18004	3.1
205.15916	1.8
207.11600	0.8
211.14630	0.9
213.16400	6.7
215.17982	8.2
217.15926	1.5
217.19577	1.9
219.17441	8.6
227.18016	1.2
229.19611	0.9
233.18967	1.3
235.16949	5.3
241.19469	1.5
243.21198	1.1
247.16977	5.1
249.18507	0.8
255.21223	1.6
256.57245	0.7
261.18610	2.5
267.21054	2.0
277.03738	0.8
293.22836	1.1
311.23715	0.8
370.68646	0.7
389.32098	3.4
407.33084	17.2
409.34735	1.5
423.32690	0.9
425.33878	0.9
435.32626	3.7
453.33679	9.3
635.34906	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3946
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
53.03930	0.9
55.05506	1.7
65.03934	2.4
67.05508	2.8
69.07059	2.6
70.38317	1.3
74.61243	0.4
79.05501	3.0
81.03413	0.6
81.07056	5.7
82.07368	0.6
82.52377	0.4
83.04974	1.9
83.08607	1.5
85.02891	0.7
85.29816	0.4
91.05487	17.6
93.07055	5.7
94.16205	0.4
95.04957	1.2
95.08614	10.8
97.06543	0.9
99.08121	0.6
105.07033	8.6
107.07854	0.6
107.08597	11.4
108.21555	0.5
109.06528	1.0
109.10157	7.1
111.08051	1.1
117.07048	1.7
119.04949	29.9
119.08578	13.0
121.02876	1.8
121.10145	9.0
122.03188	0.9
123.08074	0.9
123.11726	1.7
125.09634	1.6
131.08580	4.3
133.09209	0.7
133.10149	8.4
133.11084	1.0
135.11711	3.8
143.08546	1.9
144.09250	0.5
145.10135	8.2
147.04414	100.0
147.11711	4.7
148.04744	0.9
149.09644	1.1
149.13235	2.1
151.11197	0.6
157.10144	1.7
158.10938	0.8
159.11723	7.4
161.13243	5.0
163.14853	2.0
165.05473	0.7
171.11678	1.9
173.13243	4.8
175.14795	4.2
177.09109	0.8
177.16397	2.1
183.11740	1.0
185.13261	1.1
187.14827	8.6
189.16388	7.2
191.14336	2.6
191.17917	4.4
193.16197	0.5
197.13251	0.7
199.14764	2.5
201.16391	9.3
203.17944	2.0
205.15919	1.0
207.17400	0.5
213.16389	4.2
215.17934	4.0
216.77872	0.5
217.15771	0.9
217.19609	0.8
219.17461	6.6
224.48833	0.6
229.15862	0.7
229.19432	0.8
233.19002	1.4
234.37256	0.5
235.16969	4.1
241.19444	0.9
243.21140	0.6
247.16978	3.9
255.21107	0.6
261.18570	1.6
267.21130	1.6
281.22806	0.9
311.23672	0.6
389.31909	2.0
400.25354	0.6
407.33148	10.1
409.34409	1.2
425.34311	1.3
435.32507	3.3
453.33673	5.3
471.34674	1.8
594.05505	0.6
635.37286	0.9
655.42358	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	3.8
57.07038	2.2
60.52451	1.4
62.82487	1.4
65.03918	2.2
67.05503	7.5
69.07063	6.3
71.61696	2.0
79.05485	6.5
81.03419	3.4
81.07056	13.4
83.08608	6.5
91.05489	17.3
93.07040	13.7
94.49324	1.5
95.04971	2.9
95.08605	21.6
97.10155	2.0
105.07038	15.3
107.08601	21.3
109.10137	10.3
117.07029	4.3
119.04947	25.9
119.08585	24.3
121.10143	14.0
123.11720	10.0
131.08548	7.7
133.10130	16.7
135.11708	8.7
137.13239	2.8
143.08536	3.5
145.10114	17.1
147.04416	100.0
147.11705	12.2
149.13264	6.2
157.10135	5.2
159.11697	7.2
161.13266	6.6
163.07549	1.6
163.11137	2.6
163.14821	5.1
165.05472	27.5
169.10138	1.7
171.11656	4.2
173.09618	1.8
173.13242	7.2
175.14810	10.9
177.09154	2.5
177.16357	7.2
181.10071	2.1
185.13252	3.2
187.14838	14.3
189.16435	9.4
191.18005	2.5
199.14786	4.8
201.16400	18.9
203.17938	11.2
205.15904	6.0
211.14987	2.1
213.16379	11.2
215.17931	3.8
227.18138	1.8
231.17441	2.1
233.15387	3.5
245.15318	2.2
247.16953	1.8
253.19525	2.1
259.16937	7.1
267.21213	1.5
277.17938	6.4
345.14166	1.8
375.60944	1.5
389.32126	3.1
391.33163	1.9
407.33017	6.6
409.30933	5.8
425.34067	5.3
427.32083	6.1
435.32730	14.2
453.33679	13.9
471.34540	2.1
548.33667	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	3.4
67.05504	4.5
69.07053	2.9
69.47158	2.5
69.47555	9.2
72.84245	1.2
79.05495	4.4
81.07068	10.4
83.04971	3.1
83.08624	2.0
91.04951	2.3
91.05484	24.1
93.07049	8.5
95.05003	2.2
95.08610	18.9
100.76115	1.2
103.13208	1.2
105.07041	13.6
107.08595	18.7
109.06580	1.3
109.10141	10.9
111.08076	2.6
114.73563	1.3
117.07018	2.7
119.04948	33.4
119.08579	20.6
121.10145	17.7
123.11730	4.5
125.09654	3.1
131.08611	6.4
133.10146	16.5
135.11734	6.6
143.08569	3.1
145.10126	15.4
147.04414	100.0
147.11705	8.5
149.13205	2.4
153.09036	1.6
157.10107	4.5
159.11717	14.8
161.13246	5.9
163.07596	1.2
163.14821	3.8
165.05473	2.9
171.11766	3.1
173.13321	9.6
175.14809	8.3
177.09131	2.0
177.16373	4.5
183.11653	2.0
185.13220	2.6
187.14825	14.5
189.16388	12.6
191.14314	4.3
191.17958	4.0
197.13213	1.3
199.14856	2.1
201.16405	16.2
203.17932	5.7
205.15831	2.4
211.14828	1.9
213.16434	11.7
215.17990	9.1
217.15800	2.3
217.19499	1.5
219.17447	16.1
227.17844	2.2
233.19151	2.6
235.16858	7.7
241.19435	3.4
243.21120	1.9
247.16922	6.2
255.21072	1.6
261.18469	3.6
267.21075	2.3
339.49652	1.4
389.31714	3.7
407.33151	21.8
409.34720	1.8
435.32437	7.8
453.33624	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.3939
Annotation	Guavacoumaric acid
Peak:m/z	Relative Intensity
55.05516	4.1
55.17051	0.8
57.07068	1.0
65.03944	2.1
67.05509	4.9
69.07072	3.9
71.31728	0.8
71.32079	1.3
75.08772	0.7
79.05512	4.0
81.07056	11.3
83.04982	4.0
83.08617	3.2
85.85756	0.7
91.04951	1.2
91.05485	17.6
93.07052	12.2
95.04963	1.4
95.08031	1.4
95.08612	19.4
105.07031	14.7
107.08601	19.5
107.09282	1.5
109.06564	2.0
109.10168	11.9
111.08096	2.5
112.52827	0.8
117.07028	2.4
119.04948	24.1
119.08581	22.4
121.10145	15.5
123.08086	1.3
123.11710	4.1
125.09630	5.3
128.06261	0.9
129.06992	1.2
131.08583	7.2
133.09213	1.4
133.10143	16.6
133.11072	1.6
135.11708	7.0
137.09647	1.4
143.08545	4.3
145.10123	17.0
147.04416	100.0
147.11681	8.4
148.04726	0.9
149.13245	5.1
151.11179	1.6
153.09097	1.1
157.10114	2.8
159.11702	14.2
161.09529	1.0
161.13260	9.4
163.11188	0.8
163.14803	5.4
165.05490	8.4
169.10086	1.9
171.11719	3.2
173.13254	7.6
175.14836	10.1
177.09169	0.8
177.12729	0.7
177.16422	4.9
183.11699	1.4
185.13249	2.6
186.14072	1.0
187.13148	1.0
187.14824	20.6
189.16391	15.4
191.14336	2.5
191.17958	7.3
197.13335	1.8
199.14775	4.9
201.16380	18.3
203.17975	5.0
205.15887	3.2
207.17419	1.3
211.14880	1.7
213.16373	8.6
215.17950	13.4
217.15912	3.4
217.19524	2.2
219.17438	11.5
225.16551	1.0
227.17981	1.6
229.19577	1.1
231.17519	1.7
233.15402	1.0
233.18944	4.0
235.16963	6.2
239.17816	1.2
241.19542	2.2
243.21175	1.2
247.17018	6.6
249.18469	1.0
255.21153	1.7
259.16895	0.9
261.18515	5.8
265.19785	0.8
267.21069	3.0
283.23941	0.9
289.21735	0.8
311.23581	1.5
349.28857	1.2
389.32040	5.5
395.29272	1.0
407.33121	23.1
408.33481	0.9
409.34955	1.9
425.33957	1.5
435.32544	5.8
453.33640	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	635.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.4
53.03946	0.6
56.48103	0.3
62.08501	0.3
69.03416	1.0
71.04987	0.4
71.60224	0.5
73.02919	0.4
79.01860	2.5
81.03423	3.9
85.02898	1.4
91.05464	0.6
94.85288	0.4
97.02899	1.8
99.04469	0.6
103.05453	1.0
107.01300	0.4
109.02874	1.6
125.02342	1.2
127.03920	2.2
129.03339	0.5
131.04913	0.6
143.03410	3.3
147.04399	0.9
153.01840	38.0
153.02930	2.2
154.02148	0.4
157.02864	1.9
159.04413	0.6
171.02885	1.0
175.03900	2.2
177.05298	0.3
185.02280	1.7
187.03897	5.1
188.35992	0.4
191.03394	0.5
201.01933	0.5
202.94177	0.3
203.03416	4.0
213.01828	3.3
215.03403	3.5
229.01285	0.5
230.02095	0.6
231.02899	20.3
241.01340	4.0
247.02441	0.7
257.00815	0.6
259.02396	34.8
260.02884	0.6
275.01993	0.8
276.02454	0.8
277.03452	100.0
278.03857	1.3
285.00470	0.7
293.08057	0.3
297.06012	1.0
303.01367	10.8
315.07419	0.5
321.02344	1.9
465.06735	0.6
635.08484	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.5
51.02382	0.6
56.96552	0.5
69.03437	2.9
69.29624	4.7
70.06593	1.4
79.01856	4.4
79.08955	0.4
81.03416	2.5
85.02915	0.8
86.77171	0.4
86.77757	0.4
97.02889	1.5
98.20702	0.8
103.05470	1.3
107.01326	0.5
109.02881	0.8
113.84258	0.4
117.72018	0.4
122.44839	0.5
124.11260	0.6
125.02348	2.4
127.03930	2.7
131.04942	0.8
143.03404	5.3
147.04422	1.5
153.01837	71.4
153.02910	4.1
154.02174	0.7
157.02922	1.1
159.04407	0.6
171.02858	0.7
175.03944	1.8
185.02322	1.3
187.03899	4.5
191.03371	0.7
201.01854	0.6
203.03392	3.9
205.05029	0.8
213.01859	3.6
215.03352	3.5
230.02206	0.8
230.29881	0.5
231.02876	18.5
233.04442	0.5
237.04057	0.8
241.01302	3.2
247.02608	0.6
259.02386	29.0
260.03024	0.6
261.04007	0.5
275.01907	1.2
276.02686	0.9
277.03445	100.0
278.03793	1.3
297.06015	1.3
303.01364	10.5
315.07092	1.2
321.02417	1.7
415.23798	0.5
617.07703	0.8
634.32477	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.05503	2.5
57.03426	1.2
58.99359	1.1
58.99589	11.1
65.03931	1.1
67.05505	5.6
68.31663	0.9
69.03431	100.0
70.38496	2.0
70.38880	2.4
71.01338	1.0
71.05012	5.1
73.01131	1.6
73.02908	1.9
75.02702	3.2
79.05505	1.9
80.83002	1.0
81.03419	16.4
81.07045	3.3
83.04958	2.5
85.01142	5.0
85.02909	5.8
86.99049	15.4
87.04462	4.1
89.04254	2.4
91.05476	3.0
93.07078	1.9
95.04907	1.3
95.08610	3.1
97.02875	4.8
97.06587	1.1
99.02689	10.1
99.04447	4.7
101.00583	2.1
103.02167	3.6
105.00088	21.8
105.07023	2.0
109.02884	37.3
109.06510	1.7
109.10136	6.2
113.00610	3.7
117.03712	10.3
119.08572	3.0
121.10139	3.5
123.08077	1.8
125.05886	1.4
127.03918	52.4
127.11198	7.9
128.42656	0.9
129.07037	1.2
133.10178	1.3
137.09633	2.9
139.11192	43.6
145.03189	12.1
145.04916	2.1
147.01106	8.1
147.11646	1.5
149.02670	2.0
151.07576	2.0
157.10136	1.1
163.04231	9.4
163.77386	1.0
165.09084	3.5
183.04704	9.1
183.10155	2.5
184.47882	1.1
185.02643	1.2
187.04398	1.2
191.03679	5.8
197.04443	2.1
207.13808	19.4
215.05516	1.6
229.12291	1.4
231.03278	3.4
233.04822	1.4
239.11011	15.0
245.04631	1.1
247.13448	1.3
251.08694	1.1
271.06390	1.3
283.13620	36.6
289.07367	1.2
299.05872	1.5
317.07025	5.5
329.14169	20.5
371.15216	11.2
383.14984	1.9
437.16327	48.2
455.17386	15.8
461.18961	1.6
461.28839	1.4
473.18512	9.3
493.31625	4.6
631.75037	1.1
634.27820	5.1
659.12567	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	9.1
57.07082	17.9
59.05003	5.0
65.39322	3.8
67.05502	20.0
69.03426	14.8
69.07067	5.4
71.00772	8.8
71.05017	3.9
79.05495	17.1
81.07058	31.2
83.04979	17.6
83.08634	5.1
85.06552	4.9
91.05469	26.4
91.07926	3.7
93.03343	4.0
93.07064	37.3
95.04961	18.0
95.08620	28.3
96.93713	3.6
97.06548	7.6
105.07041	59.0
107.08591	23.2
109.06551	21.2
109.10175	7.7
117.07021	13.5
119.08589	52.3
121.06528	9.6
121.10160	23.0
121.61188	4.3
123.08064	28.3
125.05993	27.1
128.06168	3.7
129.06976	11.5
131.08568	31.6
133.06464	8.2
133.10144	27.2
135.08058	22.5
135.11739	9.3
137.09610	15.4
142.07755	4.9
143.08546	23.7
144.09364	7.0
145.10144	43.5
147.08023	25.9
147.11714	10.2
149.09641	12.9
151.07553	38.8
155.08513	6.2
156.09427	4.3
157.10152	28.4
159.08081	4.9
159.11671	25.3
161.09608	14.4
161.13326	9.3
163.11195	39.7
164.11348	4.0
165.09143	46.2
166.09534	4.2
167.08508	5.7
169.10115	10.9
171.11688	13.6
173.09669	9.4
173.13251	9.4
175.11208	15.4
177.09108	5.3
181.10043	8.6
181.12244	45.8
183.11705	13.4
185.13290	8.9
187.11244	9.2
187.14719	4.0
189.12764	8.5
190.13481	10.1
191.14156	3.9
193.12253	10.6
195.11732	7.6
197.11671	4.5
197.13284	9.2
199.11150	4.8
201.12869	7.6
203.14313	25.1
206.09541	3.9
207.13800	17.1
208.14557	8.8
209.13264	4.9
209.15248	5.9
211.14810	7.2
213.12717	6.7
217.12241	5.4
221.15370	100.0
223.14908	5.2
227.14346	5.4
229.12297	4.3
234.16109	12.2
247.16943	15.6
259.17099	4.5
274.19223	10.7
286.19269	22.1
287.20032	13.5
299.20242	6.9
311.19925	5.1
313.21713	11.9
315.18823	4.0
325.21466	5.5
340.24002	7.7
352.23819	11.1
365.24527	5.0
403.00510	4.2
425.26700	5.4
435.28580	7.5
440.29245	12.3
454.30240	4.4
520.35669	19.8
573.39490	7.5
600.41364	11.2
633.41144	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	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.2
55.01873	4.1
55.05514	19.3
57.03442	6.8
57.07090	2.3
59.04993	1.7
65.03946	4.3
67.05505	100.0
69.03432	33.4
69.07063	14.5
71.04997	5.3
72.65513	1.2
78.90514	1.1
79.05493	31.8
81.03416	24.0
81.07057	44.4
83.04975	7.1
83.08630	10.4
85.02898	3.4
85.06561	2.9
91.05482	35.4
93.07046	37.5
95.04981	10.8
95.08607	29.5
97.02898	6.0
97.06533	3.4
97.10162	7.0
99.04480	2.9
103.03989	1.5
105.04528	1.6
105.07028	26.6
105.07735	1.4
107.04967	4.2
107.08591	23.6
107.09270	1.8
109.02906	5.4
109.06517	5.9
109.10156	53.1
111.04428	5.7
111.08091	3.7
115.05485	3.6
117.07011	14.2
119.08586	21.3
121.06496	3.0
121.10150	14.6
123.04501	1.3
123.08060	4.0
123.11752	1.9
125.09611	5.6
127.03933	3.1
128.06204	1.7
129.06990	9.3
130.63831	1.2
131.04877	1.9
131.08559	15.9
133.06520	3.8
133.10123	13.7
135.08093	4.1
135.11703	8.7
137.06015	1.3
137.09636	6.9
141.07005	2.8
142.07854	2.3
143.08543	10.0
145.06523	1.4
145.10138	13.4
147.04431	3.0
147.08080	2.7
147.11688	7.6
149.09653	3.7
149.13298	3.8
151.07643	1.8
153.01877	1.4
153.06992	1.4
155.08591	4.1
155.10712	3.9
157.10136	7.2
159.08101	4.0
159.11702	11.2
161.09692	3.2
161.13239	5.6
163.11183	3.6
163.14896	1.7
165.98369	1.1
167.08496	2.1
169.10127	5.5
171.08092	2.3
171.11755	5.1
173.09685	3.0
173.11778	14.6
173.13319	7.3
175.11194	3.2
175.14821	2.2
176.81346	1.2
181.10149	2.9
183.08134	1.7
183.11749	3.1
185.09633	1.9
185.13269	4.6
187.11206	3.1
187.14833	3.1
189.11249	3.0
189.12749	2.2
191.10707	1.7
193.10339	1.2
195.11749	2.7
197.09767	1.2
197.13280	3.3
199.11211	2.2
199.14873	2.9
201.16435	1.2
207.11708	1.6
209.13298	1.4
213.12813	2.0
215.14392	2.2
217.12259	1.4
221.13400	1.4
227.12711	2.1
229.14297	18.7
233.15393	1.5
259.20837	2.4
261.22229	1.8
265.19659	1.8
271.20837	1.9
277.21750	3.3
287.19882	1.2
289.21423	1.4
299.15033	3.4
301.21622	6.8
313.21973	1.5
315.23080	2.7
319.22641	2.4
327.23230	1.6
341.24902	3.1
345.23972	2.5
351.23273	4.1
353.24677	1.3
355.17554	2.7
357.24164	1.9
369.24158	11.9
371.25693	1.4
387.25348	6.2
398.94891	1.2
403.17487	1.1
405.26340	1.8
443.28006	3.5
461.28964	5.6
489.35620	3.2
552.43506	1.2
597.37909	5.6
615.39252	6.2
633.39911	43.0
634.40930	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3795
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
52.31326	1.3
55.05490	2.6
58.57734	1.3
65.03947	1.4
66.31322	1.1
67.05513	7.5
69.03424	1.3
69.07063	4.2
71.61340	1.9
79.05484	5.0
81.07071	6.9
83.04980	3.2
83.08618	2.9
91.05479	10.3
93.07042	8.6
95.04967	3.0
95.08604	10.9
97.06525	1.3
97.10164	1.4
105.07030	14.6
107.08601	10.9
109.06499	2.2
109.10156	6.6
119.04942	12.5
119.08575	12.0
121.06492	1.9
121.10172	8.4
123.11727	1.9
124.44823	1.4
125.09631	1.6
131.08534	3.9
133.10167	10.4
135.08023	2.6
135.11693	5.7
143.08562	4.1
145.10112	8.7
145.11972	1.2
147.04419	45.4
147.08069	1.7
147.11717	6.1
149.09633	2.0
149.13231	2.9
151.11189	2.0
153.01819	4.1
157.10112	5.2
159.08023	1.7
159.11734	6.2
161.13281	3.9
163.11148	1.8
163.14806	4.5
165.05510	3.4
169.10118	2.0
171.11699	1.8
173.13240	3.7
175.14839	7.4
177.16382	2.0
181.12325	1.5
183.11760	2.7
187.14812	7.9
189.12746	1.5
189.16360	13.0
197.13263	3.3
199.14822	4.5
201.16367	3.5
205.15840	3.9
211.14819	2.7
213.16396	2.4
215.14409	3.2
217.15878	4.9
227.17905	1.8
233.15314	4.3
235.16891	1.9
239.17741	1.6
243.37399	1.2
247.16862	1.5
253.19585	1.7
266.98999	1.7
271.20551	1.8
315.18362	1.4
405.31689	6.1
409.17413	1.4
423.32645	9.6
425.30408	4.4
433.30896	2.7
451.32153	14.1
469.33179	100.0
470.33099	3.6
490.37604	1.5
633.40704	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3794
Annotation	3-O-trans-p-coumaroyl actinidic acid
Peak:m/z	Relative Intensity
55.05502	4.3
65.03934	2.6
67.05505	7.0
69.03430	1.1
69.07063	4.4
70.88322	1.5
70.88683	3.4
79.05495	6.4
81.07061	18.0
83.04972	4.0
83.08598	2.2
91.05482	19.9
93.07062	13.0
95.04969	3.2
95.08617	15.0
105.07024	19.1
107.04899	1.5
107.08598	20.0
109.06490	3.5
109.10155	8.8
111.08070	1.8
113.06926	1.4
117.07032	1.6
119.04955	29.1
119.08583	22.1
121.02857	2.0
121.10146	11.3
123.08031	2.3
123.11695	4.4
125.09618	3.2
127.07605	2.7
129.07005	3.4
131.08577	12.7
133.10143	12.6
135.08023	1.6
135.11690	4.8
137.09581	1.8
141.07053	1.5
143.08549	6.0
145.10126	15.4
147.04416	100.0
147.11708	9.2
149.09622	2.4
149.13235	2.6
151.11165	1.5
153.01805	2.2
155.05759	1.7
155.08475	1.3
156.09413	1.9
157.10199	6.3
159.11697	13.4
161.13280	6.9
161.16721	1.2
163.03893	1.8
163.11194	1.9
163.14848	2.8
165.05484	7.5
169.10062	1.6
170.10872	1.6
171.11696	8.2
173.13248	8.2
175.14819	7.2
177.16273	2.0
183.11731	2.7
185.13281	13.2
187.14819	13.7
189.16409	4.3
191.14264	1.8
195.11653	2.3
197.13197	3.8
199.14859	8.3
201.16428	13.5
203.14384	2.6
203.17812	1.8
205.15982	2.5
209.13213	2.1
211.14853	4.6
213.12679	1.4
213.16359	10.9
215.17920	3.0
217.15881	2.6
219.17465	6.0
223.14761	2.0
239.17973	1.7
245.15318	1.7
253.19440	2.1
259.16879	3.3
265.19547	1.6
287.20123	2.0
309.22571	1.4
314.43451	1.5
345.11081	1.5
387.30511	3.0
393.27933	1.5
403.93024	1.8
405.31622	15.3
407.33228	2.1
423.32285	1.4
433.30881	7.6
451.32220	13.3
633.36121	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	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33311	1.5
50.59612	1.3
54.08458	1.3
55.05498	3.8
67.05501	18.2
68.05788	1.4
69.03422	4.5
69.07062	2.4
70.88872	3.3
79.05475	2.6
81.03410	3.9
81.07055	4.1
84.67767	1.4
85.02923	2.7
91.05458	3.9
93.07039	9.5
94.06549	1.7
95.08607	55.1
96.08157	1.7
105.07028	4.9
107.08552	3.9
107.95064	1.4
108.08112	2.2
109.02881	2.1
109.06422	1.8
109.10155	4.1
119.04955	2.5
119.08584	4.0
121.10143	2.7
123.08044	2.0
124.07596	9.9
127.03927	2.3
131.04924	2.8
131.08549	2.2
133.10143	1.6
136.07558	4.3
136.11180	3.7
137.09637	2.1
138.09105	8.5
140.03401	1.8
140.11133	1.5
143.08592	1.5
144.08034	2.1
145.10159	3.4
146.09634	2.5
147.04381	4.7
147.11694	1.8
148.07562	2.5
150.09100	4.4
151.04068	1.4
153.01831	5.6
157.10077	2.5
159.11710	1.7
160.07565	2.0
162.09219	1.9
163.07562	1.7
163.11093	1.8
164.07030	4.3
164.10709	57.2
165.09065	2.0
166.08560	4.8
171.09207	3.0
172.07635	2.3
173.10750	3.2
174.09103	5.2
190.08575	2.4
192.10199	88.1
198.09218	2.1
199.08659	4.8
200.09422	2.1
201.10245	4.8
204.10237	4.9
205.15822	1.9
213.10277	9.9
215.08159	4.5
215.11707	2.0
225.10419	2.1
226.08694	2.1
227.08174	15.7
237.10181	2.9
241.09686	20.6
243.11362	15.8
245.09238	2.8
246.07709	3.5
249.10097	1.8
253.09608	3.8
259.10794	22.8
263.07709	1.5
263.11792	1.8
265.09720	3.7
267.08038	1.7
267.11292	5.5
269.09171	13.5
271.14273	2.5
279.11227	4.1
281.09091	2.2
281.12308	1.6
283.10626	2.2
285.08688	7.5
285.12405	2.4
286.09488	1.8
287.10263	100.0
295.10681	7.4
295.91458	1.7
296.09137	1.8
297.12302	5.8
309.12549	2.9
311.10336	2.4
313.11816	5.0
319.12872	20.6
323.13953	1.8
325.11917	2.7
336.11166	1.7
337.11887	4.8
339.09744	5.1
339.13446	1.5
345.14288	3.2
353.11243	7.0
355.12891	4.6
372.17126	2.2
382.45935	1.4
387.15930	3.0
395.16025	1.4
410.17056	22.0
418.17923	2.0
419.18030	1.8
432.19180	6.3
434.20731	2.7
442.19461	6.2
460.18671	14.5
461.18655	2.6
471.31326	1.6
478.19720	72.3
479.19675	2.0
492.21249	10.3
496.20587	11.6
508.21014	1.6
510.22382	95.4
583.25482	10.8
601.17377	2.5
601.26630	28.9
615.28259	2.0
633.28876	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2924
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
62.38954	0.9
63.40116	1.1
63.78550	1.0
67.05499	2.7
69.03410	1.2
69.07075	18.1
79.05482	2.5
81.03399	2.0
81.07064	1.9
91.05471	2.5
92.88312	1.0
94.06580	1.0
98.21423	2.4
105.07037	2.4
107.08567	2.1
108.08122	3.0
109.06549	1.2
114.09057	0.9
118.97495	1.0
119.08617	1.3
120.08131	2.6
121.08875	2.4
121.10168	1.6
122.06039	2.3
122.09646	1.3
124.07610	1.8
133.10184	1.0
134.06030	1.3
136.07571	6.0
137.05984	1.3
138.05493	2.9
140.07072	30.4
146.05997	1.9
147.04448	1.9
147.06848	1.5
148.07578	6.3
150.09140	5.2
152.05859	1.3
152.07082	26.2
153.01802	2.8
153.22366	1.1
157.10146	1.1
160.07507	1.3
164.07050	3.0
165.07915	1.2
166.08652	5.3
167.07156	1.1
167.09413	1.4
174.05499	1.3
176.07031	4.0
192.10197	1.3
194.08151	1.3
198.11382	1.2
211.12144	1.4
213.10170	1.1
225.10236	3.4
225.14001	1.1
237.10223	2.0
238.10991	1.8
239.11789	12.1
243.11394	1.5
251.11746	2.9
253.09738	1.3
253.13373	2.4
255.11333	1.4
256.12003	1.1
261.12344	3.0
261.74994	1.0
263.11835	1.6
264.12610	1.2
265.09717	3.0
265.13278	2.9
266.10477	3.1
267.11401	6.1
269.13046	1.2
271.14481	5.6
277.09521	1.0
279.11261	10.9
280.12057	7.7
281.09430	1.9
281.12814	10.7
283.10760	3.6
284.11288	1.7
285.12433	5.3
287.05499	18.4
287.10382	1.4
287.13837	3.4
289.15677	1.3
293.12799	1.9
296.11429	2.1
297.12299	6.5
298.13104	14.8
299.13925	6.5
309.12100	2.2
310.13052	1.7
311.10168	3.3
311.13885	2.6
313.11804	4.7
315.13522	2.6
316.14005	1.9
321.12354	2.5
322.13168	3.6
323.13885	2.7
324.11026	4.2
325.11734	1.7
326.13083	1.2
331.13174	2.4
337.11716	3.5
339.13522	9.7
340.14133	5.4
341.14865	2.1
345.14526	2.1
346.15448	1.3
347.16187	2.0
364.20544	1.2
376.16501	1.3
378.18030	1.2
383.13495	1.0
390.18442	1.6
392.15875	2.2
394.78717	1.2
400.16998	1.3
402.18466	1.3
404.15817	1.6
406.17471	3.2
410.20871	1.6
418.17551	2.8
419.17883	3.6
420.19107	10.2
424.18436	2.9
434.20636	1.4
435.18210	1.6
436.18567	2.2
437.19473	16.5
438.20300	17.0
442.17490	1.9
444.19226	1.4
448.18866	1.4
450.20285	8.9
460.18481	4.3
462.20297	7.7
464.18271	11.9
465.19006	6.2
466.19647	6.6
477.18320	2.0
478.19714	42.2
479.20477	7.6
480.21481	5.9
510.22238	11.0
511.22781	3.6
559.25134	1.3
583.25525	12.5
601.26587	100.0
602.26782	2.5
633.29205	5.9
634.28638	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	1.8
57.84536	2.0
67.05490	4.8
69.06726	2.5
69.07067	34.6
79.05476	5.7
81.03392	3.1
81.07048	4.7
86.09727	3.7
89.32191	1.7
91.05457	2.3
93.07014	2.3
94.06570	4.4
95.04961	2.8
95.08598	4.0
105.07028	4.0
106.06543	3.2
107.08601	2.6
108.08105	7.0
109.10199	2.4
120.08070	2.8
121.08872	4.7
122.06041	11.0
122.09679	2.7
124.07559	1.8
136.07559	14.0
138.05487	5.6
140.07071	53.3
146.05966	5.7
147.04370	2.7
147.06740	2.5
147.07938	2.0
147.11681	2.4
148.07579	11.3
150.09143	6.7
152.07076	48.9
153.01808	4.3
164.07065	3.8
166.08618	7.9
167.09439	2.0
172.03952	4.9
174.05501	6.8
176.07054	14.9
190.04922	2.5
192.10173	2.3
194.08122	2.5
199.08591	2.1
204.06505	8.2
206.08247	2.1
208.09689	3.9
211.12312	2.8
212.13045	2.4
213.10364	2.8
225.10254	6.0
226.11049	2.2
227.08150	2.0
227.11732	5.9
229.09677	1.9
237.10271	5.1
238.11020	4.2
239.11734	18.3
240.12747	2.8
241.09697	3.1
243.11214	3.5
251.11760	8.3
252.12572	2.7
253.09828	3.9
253.13148	4.7
255.11264	3.8
259.10846	4.0
261.12280	5.1
263.11829	3.0
264.08566	4.3
265.09692	7.4
265.13300	8.6
266.10599	5.1
267.11252	10.8
269.12885	4.2
271.14349	7.8
278.13828	1.9
279.11258	21.1
280.12070	9.0
281.09439	3.3
281.12823	18.1
283.10721	6.2
284.11346	3.0
285.12366	11.2
287.13925	12.3
289.15433	4.0
293.12808	2.6
295.10959	2.9
295.14432	2.3
296.11536	2.3
297.12317	18.1
298.13123	17.6
299.13892	10.0
309.12357	4.8
310.13251	3.6
311.10352	3.5
311.13910	6.1
313.11722	10.7
315.13425	6.4
316.14151	2.4
321.12411	3.6
322.13098	3.8
323.13950	2.3
324.10947	5.2
325.11868	4.2
326.12018	2.0
332.17752	2.4
337.11743	8.1
338.12692	3.5
339.13400	16.9
340.14172	7.1
344.13837	3.6
345.14526	5.5
351.19342	2.7
355.13947	2.3
371.15903	5.5
372.16809	6.6
378.18185	2.9
385.14023	2.4
387.15695	2.1
388.16327	3.9
389.18182	2.6
392.15863	2.9
393.17343	2.5
400.16290	8.7
401.17484	2.4
402.17905	2.7
406.17584	5.2
418.17526	7.0
420.19321	10.2
432.19107	2.3
436.18671	2.8
437.19510	32.3
438.20190	25.7
442.17487	3.5
448.18710	3.8
450.20392	12.8
460.18497	24.7
461.18958	3.4
462.20270	10.5
464.18146	16.6
465.18735	9.8
466.19522	10.0
478.13104	4.0
478.19772	63.7
479.20557	13.6
480.21210	10.0
492.21326	9.8
510.22333	31.9
511.22852	9.4
583.25476	22.5
601.26550	100.0
602.26318	2.6
633.29089	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	633.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.0
55.05494	1.8
59.72133	1.6
67.05482	2.7
69.03426	1.9
69.07063	3.4
69.20329	1.7
70.75782	2.6
70.76115	1.8
71.04990	3.2
84.08152	2.2
85.02909	1.6
90.99490	1.4
91.05490	2.6
94.06547	2.1
94.52260	1.5
97.02911	2.2
100.56326	1.6
103.05453	1.8
103.93092	1.6
107.08597	2.3
108.08110	1.8
114.55322	1.6
122.06046	10.7
127.03899	1.9
127.11205	12.7
131.04913	3.4
136.07549	12.9
137.05989	2.6
140.07074	10.1
146.06020	11.3
148.07573	9.0
152.07030	2.1
153.01816	4.9
164.07092	16.1
164.84560	1.7
166.08667	7.9
172.03914	6.7
173.04724	1.8
173.48364	1.8
174.05495	5.2
175.46281	1.6
176.07069	19.5
179.07016	1.9
190.04979	3.3
204.06606	6.4
208.09892	1.9
222.11594	2.4
222.20348	1.6
223.12340	2.9
224.13242	2.4
225.10249	2.5
226.11028	1.8
227.11900	1.8
237.10217	7.4
237.13850	2.0
238.11050	7.6
239.11732	11.4
248.09334	2.8
249.10330	3.7
250.10762	2.9
251.11812	8.9
252.12692	2.6
253.13333	3.5
255.11247	2.0
261.12463	1.8
263.11816	14.1
264.12442	3.2
265.09784	4.8
265.13318	27.2
266.10526	2.1
267.11337	3.0
267.14886	1.5
269.12451	2.3
271.06113	2.2
271.14545	7.5
275.11664	1.9
277.09613	4.4
277.13095	3.2
278.10434	3.7
279.11292	100.0
280.11911	6.1
281.12808	3.3
283.10718	3.2
283.14151	1.8
287.05331	2.3
287.13925	9.9
291.11221	6.4
292.11984	3.1
293.12918	9.1
294.13489	2.6
295.10953	1.7
296.11511	4.4
297.12341	50.4
298.12906	4.5
309.12363	36.3
310.13098	20.7
311.13855	3.9
313.11792	7.1
319.10660	3.4
321.12411	12.5
324.10977	2.9
325.11853	5.9
331.12830	3.6
337.11819	52.7
338.12604	22.2
339.13388	81.1
345.14337	2.4
349.12012	1.8
369.14487	10.9
370.14557	2.2
371.16034	21.2
400.16284	2.0
416.19473	1.6
418.17499	2.7
438.20319	2.5
442.17548	4.2
460.18713	40.4
478.13104	3.1
478.19730	44.5
479.20200	5.5
480.20963	5.5
492.21408	1.7
510.22308	19.7
512.22766	1.9
583.25671	2.1
601.26593	79.8
602.26599	2.4
633.28851	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	633.2921
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
56.30757	0.7
57.58952	0.7
58.63966	0.8
63.83944	0.8
66.87267	0.7
69.07058	2.2
69.34151	6.5
94.06569	1.7
106.06542	1.5
108.08141	0.9
120.08177	0.9
122.06042	5.0
133.40109	0.7
134.06023	1.3
136.06612	1.2
136.07588	13.4
138.05443	0.7
140.07083	9.3
145.85370	0.6
146.06006	7.8
148.07568	5.8
150.09163	1.0
150.93820	0.7
151.63710	0.7
152.07042	2.4
164.07063	11.7
165.06854	0.7
166.08667	3.1
172.03928	2.0
174.05521	3.0
176.07080	22.0
190.04953	2.6
192.06586	1.1
204.06561	1.7
208.09727	1.1
209.10831	1.0
210.11597	1.3
211.12279	1.9
211.66852	0.6
219.52036	0.7
221.10698	1.0
223.12302	1.8
224.09474	1.0
225.10193	3.4
225.13829	1.0
227.11676	1.3
235.12218	1.7
236.13095	1.9
237.10104	7.0
237.13853	1.5
238.11017	12.8
239.11755	9.5
247.12439	1.3
249.10094	1.2
250.11000	1.7
251.11801	7.3
252.12578	1.6
253.13319	2.7
261.09955	0.8
261.12375	2.1
262.10904	0.9
263.11850	4.8
264.09064	2.2
264.12549	1.5
265.09769	3.3
265.13361	12.3
266.10635	1.9
267.11325	4.6
269.12872	1.4
270.13651	1.0
271.11636	1.0
271.14410	6.3
275.11746	2.1
276.12604	0.9
277.09790	2.2
277.13367	4.1
278.10416	3.9
279.11295	100.0
280.11981	7.7
281.12830	3.2
282.13477	0.9
283.10834	2.1
283.14395	1.9
284.11575	1.2
285.12415	3.2
287.13943	5.2
291.11206	1.8
292.12192	1.1
293.12790	5.4
294.13651	1.4
295.11032	1.6
295.14502	2.1
296.11734	2.4
297.12347	52.5
298.13058	6.2
299.13589	1.0
309.12335	21.7
310.13129	10.1
311.13843	4.9
313.11795	4.1
319.10867	2.1
321.12314	13.1
322.13120	1.1
323.10178	1.6
324.11133	2.2
325.11816	4.7
331.12872	0.9
337.11859	33.4
338.12598	11.7
339.13403	91.2
340.13916	4.3
345.14758	0.8
347.16159	0.8
369.14481	2.6
371.16003	16.3
400.16498	3.0
401.17093	1.2
416.19302	0.8
418.17505	1.6
424.17188	0.9
438.20383	4.4
439.65326	0.7
442.17523	3.8
445.22098	0.8
460.18716	45.8
461.19324	3.2
462.20435	1.5
465.18869	1.0
466.19565	1.0
478.19757	30.0
478.26636	1.7
479.20264	4.4
480.21194	7.4
510.22345	4.5
583.25287	3.2
601.26611	84.8
602.27338	1.2
633.29218	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	633.2919
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44287	1.2
53.48689	1.2
55.01915	1.2
69.07059	2.6
69.29214	7.3
69.29643	6.9
71.45282	1.1
74.25169	1.3
94.06565	3.0
98.21500	3.1
120.08095	1.5
122.06037	7.7
134.05991	2.2
136.07579	18.9
140.07065	11.5
144.04468	1.4
146.05974	7.5
148.07542	3.7
150.09164	1.7
152.07042	3.0
162.09209	1.8
164.05824	2.1
164.07072	24.3
166.08661	5.8
172.03990	6.7
174.05531	1.9
176.07092	17.6
190.04948	1.6
204.06555	7.2
206.08162	2.1
208.09630	2.5
209.10632	1.9
210.11398	2.6
211.12315	2.8
221.10713	3.2
223.12297	2.2
225.10086	2.5
235.12289	3.6
236.13098	2.3
237.10231	9.5
237.13872	2.7
238.11050	12.8
239.11818	17.3
248.09457	4.7
249.10182	3.7
250.10966	5.5
251.11790	11.2
252.12581	2.7
253.13390	4.0
261.09946	2.3
261.12531	2.7
262.10797	2.0
263.11801	23.9
264.09186	2.3
264.12491	6.1
265.09711	9.0
265.13342	28.1
266.10513	1.5
266.14243	1.7
267.11288	3.8
269.12817	4.8
271.14487	5.0
277.09644	2.9
278.10513	3.5
279.11279	100.0
280.12085	8.6
281.12921	4.5
283.14383	1.5
285.12268	4.5
287.13861	6.2
291.11267	6.3
293.12839	6.4
295.10870	2.4
295.14447	2.9
296.11536	2.4
297.12366	62.9
298.13211	8.0
299.13953	2.0
309.12332	60.0
310.13132	19.5
311.13916	10.4
313.11722	4.1
319.10736	5.5
321.12408	10.1
325.11829	3.4
337.11853	51.0
338.12625	16.7
339.13397	74.7
340.13794	3.3
345.14499	4.3
351.13474	1.5
369.14465	54.1
370.15140	10.3
371.16037	68.6
372.16684	2.0
374.18680	1.5
400.16699	2.7
402.18179	1.8
438.20093	4.7
442.17636	3.8
458.18387	1.5
460.12698	2.4
460.18698	37.1
461.19247	4.7
464.18591	2.1
478.19769	37.5
479.20023	3.6
480.21060	6.4
492.21545	1.6
510.22388	99.0
511.22699	5.4
583.25763	2.7
601.26611	64.0
602.26257	2.1
633.29187	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	633.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.4
58.99575	0.8
60.75929	0.8
67.05502	2.5
69.03423	1.2
69.07061	4.8
70.06554	0.7
70.65351	1.3
70.65695	1.7
72.68620	0.6
73.16201	0.7
76.02224	4.0
79.05489	1.9
81.03413	1.4
81.07056	1.9
84.35149	0.6
91.05478	1.5
91.63565	0.7
92.24904	0.7
93.07046	2.3
94.06572	1.8
95.08607	1.6
97.02894	1.2
97.06518	0.8
98.97582	2.1
103.05441	0.8
105.07040	2.8
107.08614	1.2
109.02900	1.0
109.10155	1.3
110.06016	0.7
110.97529	0.8
116.01668	1.1
116.98640	0.8
119.08628	0.8
121.06504	0.8
121.10146	1.0
122.06032	4.4
127.03890	1.6
129.07117	0.9
131.04933	2.9
131.08643	0.8
133.10141	1.0
134.05989	1.5
135.08041	1.2
136.07576	8.8
137.06009	0.8
138.05457	1.7
140.07079	6.0
144.04532	1.0
145.10101	1.0
146.06038	3.2
146.09650	1.0
147.04381	1.2
148.07561	1.7
149.09599	1.5
152.07077	1.5
153.01830	4.5
154.04996	0.8
161.09569	0.8
161.13264	1.0
162.02238	2.7
162.09148	0.8
163.11076	1.1
164.07065	12.5
165.09140	1.0
166.08604	4.1
172.03964	3.7
174.05498	1.6
176.07082	5.4
179.04826	5.0
190.04962	1.2
204.06598	7.0
206.08116	2.5
207.25650	0.7
208.09843	0.8
210.11568	2.2
219.01627	1.1
221.10825	1.8
222.11575	1.6
223.12402	2.0
224.13109	1.1
225.13895	0.9
235.08684	0.9
235.12366	2.1
237.02913	0.9
237.10143	5.4
237.13858	1.6
238.10989	4.9
239.11685	3.7
241.09985	1.0
246.44835	0.7
248.09233	3.4
249.10197	4.4
250.10962	4.1
251.11809	7.1
252.12558	1.1
253.13483	1.6
255.11197	1.0
261.12350	1.2
262.11203	1.0
263.11792	16.7
264.08908	1.3
264.12534	3.8
265.09784	6.9
265.13403	16.7
265.15948	1.4
266.14072	0.9
267.11322	2.9
269.12839	2.8
271.14441	1.8
275.20053	2.1
277.09741	0.9
278.10522	2.9
279.11273	37.5
280.12039	3.1
281.12943	1.7
282.13605	1.4
283.10602	1.0
283.14404	1.4
284.11520	0.9
285.12479	1.1
287.05551	5.8
287.13910	2.2
291.11258	4.7
292.12125	1.5
293.12753	5.1
293.21021	1.7
294.13608	1.5
295.10886	1.6
295.14218	0.8
296.11758	1.9
297.12320	21.2
298.13098	2.2
309.12332	43.9
310.13098	14.7
311.13943	4.7
313.11880	2.0
315.13034	1.1
319.11011	3.5
321.12350	2.7
325.11932	2.3
331.12885	1.2
337.11832	34.7
338.12558	13.3
339.13379	24.4
345.14612	2.8
351.13254	0.9
369.14462	43.7
370.15167	7.2
371.16052	11.9
387.14859	0.8
397.44238	0.9
400.16296	1.9
438.20297	1.5
442.17670	1.0
450.20126	0.8
459.16754	0.9
460.18607	15.3
461.18747	1.9
464.18030	1.0
466.19824	1.7
471.25195	1.7
478.19730	14.9
479.20618	1.7
480.21381	2.2
492.21167	1.6
510.22366	100.0
511.22729	2.6
573.12518	1.7
583.25153	1.7
591.14496	0.8
601.26471	32.9
602.25928	0.8
633.28949	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	633.2915
Annotation	Meliacarpinin B
Peak:m/z	Relative Intensity
55.01882	0.7
56.96560	1.0
58.47519	0.7
58.81620	0.7
58.99583	0.7
67.05498	2.0
69.03408	1.2
69.07063	3.8
70.52528	1.7
70.52913	1.3
76.02236	4.9
79.05490	1.8
81.03407	1.9
81.07051	1.8
85.02912	1.4
91.05447	1.2
93.07065	1.7
93.55620	0.7
94.06567	2.0
95.04964	1.5
95.08607	2.1
97.02892	0.8
98.97595	2.9
103.05452	0.8
104.33116	0.7
105.07027	2.2
107.08593	1.5
108.08105	1.2
109.02914	0.7
109.10133	0.7
116.01675	1.0
119.08588	1.4
120.04398	0.7
120.08151	0.7
122.06026	5.8
124.11259	1.1
127.03931	1.3
128.98619	0.7
131.04927	2.6
133.10152	1.1
134.05998	1.4
136.07576	9.6
137.05988	1.0
138.05478	1.0
140.07089	5.8
144.04486	0.9
146.06001	3.7
147.04442	1.2
147.08099	0.7
147.11659	1.2
148.07547	1.5
149.09625	1.0
152.07120	1.1
153.01820	4.1
162.02206	2.4
162.05502	0.9
162.09093	0.9
164.07080	12.2
165.09146	0.7
166.08623	4.0
167.07135	0.8
172.03932	4.7
174.05551	2.3
176.07080	6.6
177.05400	0.8
179.04880	5.2
192.06580	0.8
204.06581	7.4
205.06970	0.9
206.08168	2.3
207.13762	0.7
210.11569	2.7
221.10800	1.6
223.12341	2.0
224.09612	0.7
224.13066	0.8
225.10265	1.5
235.12323	2.4
236.12973	0.9
237.02811	1.5
237.10274	6.0
237.13887	1.9
238.11079	4.1
239.11821	4.7
248.09415	3.3
249.10196	5.1
250.10995	4.1
251.11833	7.0
253.13228	1.6
255.11133	0.9
258.46857	0.7
261.12408	1.1
262.11206	1.0
263.11792	20.4
264.12646	3.7
265.09805	6.9
265.13409	18.4
266.14218	0.9
267.11313	2.4
269.12921	2.2
271.14517	2.5
275.20154	2.6
277.09747	1.8
277.13159	0.9
278.10706	1.4
279.11285	40.6
280.11966	3.2
281.12939	2.9
282.13586	1.3
283.10742	1.1
283.14279	1.1
285.12219	1.2
287.05438	5.3
287.13937	2.3
289.15497	1.1
291.11313	6.0
292.12103	0.9
293.12949	4.3
293.21146	2.0
294.13705	1.1
295.10837	2.1
295.14096	0.9
297.12329	22.6
298.12988	3.1
309.12338	44.4
310.13092	14.6
311.13809	5.1
313.11829	1.6
319.10703	4.3
321.12250	3.0
325.11871	1.4
327.13416	1.1
331.12875	0.8
337.11826	34.4
338.12585	13.6
339.13403	23.0
340.13931	1.1
345.14465	3.3
351.13339	0.9
369.14484	42.2
370.15253	6.2
371.16022	12.7
400.16406	1.1
402.17499	1.4
418.17685	0.8
427.66757	0.7
438.20425	1.3
446.16330	0.9
450.20688	1.5
459.17896	1.2
460.18686	14.8
461.18997	1.6
466.19678	1.8
471.25308	1.8
478.19742	13.4
479.20486	1.8
480.21429	2.1
492.21136	1.3
510.22366	100.0
511.22955	2.6
522.29425	0.7
573.12775	1.1
583.24854	1.6
601.26392	32.8
633.29468	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	633.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	0.5
51.02382	1.0
53.00309	0.4
53.03952	2.1
54.36099	0.1
55.01881	0.4
57.03006	0.1
68.99799	0.3
69.03432	3.4
69.91362	1.0
71.04993	0.2
77.20774	0.1
79.01857	7.4
79.05540	0.2
81.03419	23.7
82.72190	0.2
85.02903	0.4
97.02880	1.7
99.04474	0.8
100.78507	0.2
101.79047	0.1
105.03401	0.2
107.01319	1.6
107.01943	0.2
107.04915	0.2
108.95610	0.2
109.02882	8.0
117.03371	0.3
119.04990	0.2
123.00796	0.3
124.11269	0.3
125.02365	3.6
127.03928	1.8
133.02893	0.4
135.04376	0.2
137.02368	0.2
143.03401	8.4
145.42744	0.2
147.04437	0.3
153.01834	100.0
153.02890	6.0
154.02177	0.7
161.02328	0.7
163.03920	1.4
165.01877	0.2
167.03409	0.3
169.12228	0.4
171.02879	0.2
173.02321	0.3
175.03914	0.2
179.03371	0.3
181.01381	0.6
189.01826	0.9
191.03378	1.2
193.01456	0.3
195.02837	0.4
200.36340	0.2
201.01874	0.4
207.02875	0.8
215.03445	0.3
217.01355	1.7
219.02876	1.5
221.00919	0.5
229.01292	0.2
231.02910	0.4
233.04427	0.4
235.02391	2.3
239.01813	0.2
241.13124	0.2
245.00841	1.4
247.02292	1.1
249.03900	0.3
249.34233	0.2
257.00665	0.2
259.02527	0.2
261.03976	0.4
263.01822	0.6
273.00317	1.3
275.01920	1.2
280.08350	0.2
291.01367	0.5
297.06033	0.6
300.99881	0.4
303.01376	0.2
319.00940	1.5
337.01898	3.8
346.68442	0.2
401.04800	0.5
438.60587	0.2
445.03989	7.0
446.04462	0.2
463.05090	6.1
615.06140	1.4
627.48138	0.2
633.07135	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05023	0.9
57.03421	1.3
61.02902	1.4
63.51582	0.6
68.05017	0.8
68.99775	2.2
69.03427	6.0
70.06600	9.8
71.60551	0.8
73.02890	0.7
80.05012	0.6
81.03395	2.2
81.07068	1.1
82.06549	1.0
84.04472	0.7
84.08146	3.1
85.02906	6.7
85.25124	0.6
96.08102	2.9
97.02864	3.0
109.02856	1.3
111.00787	2.4
120.08099	0.8
123.04445	4.4
124.11181	2.4
127.03904	2.5
131.04904	0.8
134.05992	0.9
134.69295	0.7
135.00356	0.7
135.04367	2.2
137.02313	0.8
139.03902	9.8
147.04402	1.6
151.03969	1.2
153.01837	1.6
154.05006	1.5
155.04845	0.8
158.42435	0.6
161.05960	1.4
163.03915	4.8
169.06468	1.6
173.05994	8.0
175.07570	0.8
181.06477	1.1
185.05989	2.2
187.03882	1.1
187.07521	1.3
189.05496	2.0
193.10081	0.8
197.06009	4.7
199.04076	0.8
199.07649	3.3
199.09131	0.7
201.05453	1.7
202.08601	1.3
203.03450	0.9
209.06070	0.9
211.07582	1.6
213.05449	1.7
213.09106	0.9
214.08656	2.3
215.07010	2.9
215.10764	0.8
216.06500	1.4
220.07567	0.7
221.09653	0.7
223.07516	1.2
224.07077	2.7
225.05566	1.6
225.07539	1.0
225.09497	0.9
226.06197	0.7
227.07060	1.3
230.08070	3.4
235.07516	1.3
238.08678	0.9
239.07008	1.0
239.10791	1.4
240.06606	1.1
241.04976	3.0
241.08614	0.8
241.12126	0.7
242.08138	5.9
243.06595	1.2
244.09683	0.8
245.10449	1.0
251.07028	1.1
253.04985	2.4
255.06590	1.5
256.09616	1.4
256.13358	0.8
258.11252	1.3
263.07086	2.3
266.07983	0.8
266.11761	0.9
267.06488	2.4
267.10098	1.4
272.12820	1.4
279.06592	2.5
281.04855	0.8
281.08197	1.9
283.09665	1.2
284.12854	12.3
285.07626	1.3
286.14413	1.1
287.05438	1.5
287.11499	0.8
291.14807	0.9
293.08246	1.0
295.05890	1.5
297.07523	2.0
302.13852	0.9
305.08044	1.4
307.05859	1.5
307.09369	1.1
308.06616	0.9
309.07510	2.3
309.11227	4.6
323.09192	1.9
324.08743	1.5
327.08685	5.4
340.11731	0.9
341.10464	0.9
344.15002	3.9
345.15723	2.6
350.10239	5.8
350.13992	1.0
351.08536	2.5
365.13858	1.0
368.11230	6.6
368.15048	0.8
392.14880	8.1
393.13431	2.7
410.15948	8.7
452.17093	22.5
470.18137	100.0
471.18454	1.7
584.13953	0.7
614.22290	5.3
632.23358	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	631.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77253	1.3
67.05518	5.4
69.03424	1.2
79.05476	1.5
79.59233	1.1
81.03418	2.0
81.07056	3.4
81.68697	1.1
85.02873	1.3
91.05472	3.1
91.72379	0.9
93.07020	3.0
94.06552	2.0
95.04978	2.7
100.32045	1.1
105.07052	2.1
106.06545	3.7
107.08579	2.2
108.08108	3.5
109.10141	2.0
120.08102	5.1
121.08903	7.8
122.06012	3.2
124.07555	6.1
131.08504	1.2
132.04390	2.1
133.10098	1.7
134.09608	1.3
136.07570	6.6
137.05971	1.7
138.05510	10.1
140.07043	2.1
146.06079	2.0
147.11745	1.0
148.07573	6.3
150.78795	0.9
151.18698	0.9
152.07115	7.9
153.01730	1.7
160.07539	1.7
163.11067	1.4
164.07053	3.5
165.07852	1.7
165.09142	1.2
166.08646	22.1
170.09663	1.5
171.11667	1.1
172.03981	1.4
174.05499	1.5
174.28439	1.2
176.07065	1.4
177.05487	1.2
190.04991	4.0
190.08623	3.6
204.06525	3.5
209.10643	3.2
211.08672	1.3
212.09335	1.2
213.10103	1.6
215.11903	1.5
223.12337	1.4
225.10168	2.8
227.08177	2.0
227.11795	3.6
229.13432	2.6
237.10275	5.3
238.08601	1.5
238.10837	1.4
239.09341	5.5
239.11797	3.7
240.10266	1.8
241.09827	2.2
243.11353	6.9
249.10373	2.2
251.08067	1.8
251.11769	3.2
253.09712	3.1
255.11308	3.6
259.10770	10.4
265.09717	7.2
265.12723	1.4
266.07953	3.0
266.10556	3.0
267.08871	2.3
267.11444	3.1
269.12628	1.8
271.05994	3.2
271.10922	1.4
271.14404	4.7
279.11340	4.5
281.09241	2.6
282.11322	2.8
283.10806	7.4
284.11499	1.4
285.12485	11.4
287.05496	16.9
287.13940	9.5
289.15521	8.1
293.09259	1.8
295.10486	2.6
297.12369	3.2
302.13016	1.3
303.10300	1.8
303.13361	8.6
304.14340	2.7
311.10303	30.2
311.13644	1.7
313.11780	12.7
314.12732	3.3
315.13461	2.3
316.14407	4.3
317.11896	2.2
317.15280	2.2
318.12500	1.4
318.16071	1.9
325.11945	4.5
328.14438	1.2
329.11450	6.1
330.12302	6.4
330.15906	2.5
331.13062	5.0
331.16763	1.6
332.14029	2.8
342.15985	1.7
343.12863	21.7
344.13928	9.3
344.17538	1.8
345.14548	5.2
346.15463	4.0
347.16183	1.5
348.17120	3.0
349.17819	7.9
356.13928	1.9
357.14871	1.8
358.15454	11.9
360.13287	1.5
361.18069	1.6
362.18588	4.4
364.20221	4.0
370.15433	3.0
371.12692	1.7
372.13290	6.1
372.17319	2.8
374.14719	3.1
374.18979	1.6
375.15982	1.5
376.16479	6.7
377.17191	2.7
384.13342	2.9
385.14346	2.0
386.14832	2.8
386.79550	1.2
387.15839	2.2
388.16644	3.8
389.17398	7.6
390.13910	5.6
390.18329	3.2
398.14783	1.8
399.15726	2.4
400.16513	3.7
402.18420	1.9
403.14911	2.3
403.19434	2.0
404.15878	3.7
406.17651	2.8
407.18484	2.9
408.19083	2.7
416.16010	2.4
417.16711	3.3
418.17642	22.7
422.17041	3.2
430.17578	2.6
434.16510	2.1
435.17993	25.9
436.18665	21.9
440.16006	1.5
448.18713	36.0
449.19479	1.5
458.17142	5.0
460.18823	6.3
462.16702	10.2
463.17352	4.7
464.18143	2.8
476.18188	100.0
477.18964	19.4
478.19766	5.3
480.66672	1.2
490.18951	1.3
508.20831	25.6
509.21481	10.7
581.24243	14.8
599.25024	60.1
600.24756	1.7
631.27454	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	631.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.6
67.05504	0.8
69.07064	4.1
69.44607	4.7
79.05486	0.9
80.05040	1.0
89.69437	0.5
93.05785	0.9
94.06584	7.0
95.04954	1.4
98.20750	1.4
106.06580	0.7
108.08146	1.4
112.07591	1.2
116.04985	1.1
118.06548	0.9
120.04482	1.2
120.08138	0.8
122.06030	21.7
123.04430	1.3
124.07587	0.6
134.06050	2.5
136.07579	1.0
140.07068	34.3
144.04440	3.5
146.06012	13.3
147.06888	0.7
148.07567	2.6
152.07082	1.3
155.83876	0.8
162.05516	2.0
163.06351	0.7
172.03947	20.0
172.07550	0.7
173.04793	2.3
174.05515	17.6
176.07068	7.1
179.11142	0.6
182.09709	0.9
186.09233	0.9
190.05063	2.9
191.05786	1.4
192.06473	1.2
197.10715	1.3
199.08710	1.2
199.12302	1.6
204.06567	36.6
205.07047	0.8
206.08121	14.8
210.09288	1.1
211.08733	1.9
211.12340	0.6
212.09482	1.2
213.10243	0.9
216.10216	0.7
223.08644	0.8
223.12294	0.8
224.09387	1.2
225.10240	5.5
226.08844	0.7
226.10890	0.9
227.11780	13.4
227.13866	0.8
236.09634	0.9
237.10197	3.1
238.11082	1.5
239.11835	4.6
241.09802	1.6
241.13330	1.7
249.10400	1.3
251.11821	3.2
253.09738	2.4
255.08083	0.6
255.11298	1.2
261.12424	2.7
263.08295	1.3
263.11850	0.7
264.08939	0.7
264.78897	0.7
265.09766	2.7
266.10602	0.8
267.11328	2.7
269.12833	11.3
269.15536	1.0
271.10861	4.8
277.09824	1.7
278.10553	0.9
279.11292	1.7
281.09348	0.8
283.10782	10.3
284.11612	5.0
285.12326	5.4
287.13889	31.4
295.10779	1.9
297.12238	3.1
298.13354	1.2
300.12009	0.8
301.12051	4.1
302.12738	1.6
312.15146	0.9
313.11798	40.5
314.13007	2.8
315.13626	3.5
316.14563	6.2
317.15329	0.8
321.12393	0.8
323.10349	1.2
326.16687	1.1
327.14032	0.8
328.11050	0.8
328.14603	2.5
329.11667	3.2
329.15515	2.0
330.12360	2.8
330.16089	5.8
331.12946	6.4
331.16895	7.1
332.17514	0.9
341.12225	1.3
342.12564	4.3
342.16257	1.2
343.13232	2.8
343.17218	0.8
344.13821	1.6
344.17679	6.5
345.14459	23.5
352.14511	0.8
354.16382	1.1
355.13562	0.8
356.13864	4.6
357.15005	2.4
358.15488	9.0
363.15591	0.7
365.11737	0.9
367.13217	1.3
370.11612	1.1
370.15591	4.3
371.12439	1.1
371.16714	1.1
372.17178	4.6
374.18771	0.8
380.13953	1.4
382.11523	3.2
382.16159	0.9
383.12881	2.5
384.13388	11.8
385.14081	4.3
386.14325	4.6
386.18808	2.5
388.16696	1.9
390.18243	5.6
396.17371	1.2
397.14722	1.0
398.14996	15.0
399.15808	24.8
400.16550	31.3
402.14581	1.8
412.16681	2.3
413.17020	0.9
414.18262	5.3
415.19113	1.5
416.16129	2.0
417.16898	8.0
418.17563	8.5
422.14615	0.9
426.07709	0.7
430.17630	2.2
431.18353	2.0
440.16068	5.1
441.16840	1.5
442.17386	0.9
444.15591	2.3
458.17130	33.0
459.17926	17.9
460.18692	4.8
490.19885	5.0
491.20200	2.8
555.26117	1.9
557.23853	4.4
581.23792	6.3
599.25018	100.0
600.25214	3.3
631.27448	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	631.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86648	0.9
56.73357	1.0
58.92529	1.0
59.71274	1.0
60.54488	1.0
64.66209	1.0
65.03949	1.1
67.05506	3.4
69.07063	4.7
71.05471	0.9
71.05784	1.8
79.05486	1.8
81.07040	1.7
87.47330	1.0
94.06590	4.8
95.08616	1.4
104.10706	1.1
108.08102	2.0
109.10143	3.9
112.07616	1.1
118.06540	1.4
122.06039	16.9
123.06844	1.1
124.07596	3.5
134.06012	1.8
136.07588	1.5
137.09628	5.6
138.05499	1.8
140.07054	18.7
144.04430	2.7
146.06013	12.2
147.04384	1.2
148.07567	2.5
150.06511	1.1
152.07108	2.3
160.07458	1.1
162.05533	2.2
165.09100	2.2
166.08693	2.2
172.03943	19.8
174.05530	7.3
176.07072	6.8
181.04938	1.1
183.64853	1.1
190.05006	2.9
197.10699	1.6
199.12372	1.2
204.06570	38.8
206.08134	14.5
210.11575	1.1
211.08597	2.5
212.09537	1.8
213.10065	2.1
219.71692	1.1
223.08768	1.3
225.10239	4.6
225.13791	1.1
227.11775	10.9
236.09624	1.0
237.10338	2.4
238.11032	2.1
239.11880	3.2
240.12419	1.3
241.09702	1.5
249.10208	1.9
251.11942	1.2
253.09755	3.8
255.10938	1.4
261.12305	2.0
262.10773	1.2
265.09717	3.6
267.11349	1.8
269.12943	5.8
271.10742	3.8
277.09781	1.4
279.11267	1.4
283.10779	9.6
284.11530	5.6
285.12360	3.5
287.05533	34.7
287.13879	24.1
295.10715	2.2
297.12332	4.1
301.12009	3.5
311.10339	2.1
313.11890	14.3
314.12619	1.5
315.13574	2.2
316.14398	6.0
317.15042	1.5
323.10202	1.5
325.12140	1.0
328.14404	1.7
329.11630	1.8
329.15341	2.9
330.12317	2.6
330.16046	5.3
331.12924	4.9
331.16833	6.3
339.13748	1.2
340.14700	1.8
341.25806	1.0
342.12424	3.7
343.13034	4.4
344.13974	2.1
344.17590	6.4
345.14450	23.3
354.16077	2.1
356.13895	4.0
357.14719	2.1
358.15613	7.1
370.11578	2.1
370.15607	3.1
372.17047	4.4
375.16183	1.1
382.11688	1.9
383.12585	1.7
384.13373	10.7
385.14008	3.0
386.14813	4.3
386.19006	2.3
388.16525	2.6
390.18167	5.4
398.15091	11.4
399.15823	21.4
400.16553	30.1
402.14273	1.9
412.16455	1.6
414.18396	7.0
415.18640	1.2
416.15921	2.4
417.16660	5.1
418.17584	8.6
430.17453	2.7
431.18674	2.1
433.94846	1.3
435.17862	2.7
436.18704	1.4
440.15967	3.7
441.16757	1.4
444.15594	2.4
448.18814	1.7
458.17084	30.4
459.17984	13.5
460.18430	4.2
476.18326	9.0
490.19794	7.1
491.20322	3.3
508.20700	3.1
552.98810	1.1
557.23505	3.0
581.23950	7.4
599.25031	100.0
600.25214	2.5
631.27667	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	631.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12883	0.9
52.87088	0.8
55.05510	1.2
56.96557	1.3
67.05502	1.9
69.03439	1.6
69.07077	5.5
69.56319	6.8
72.44681	1.0
81.07027	1.0
84.08179	1.3
85.02924	1.1
85.82127	0.8
91.05472	1.1
93.07043	1.6
94.06577	7.8
95.04975	1.6
98.20757	2.0
105.07040	1.3
107.08616	1.4
108.08131	2.9
112.07590	1.3
116.04987	1.9
118.06593	1.1
120.78247	0.9
122.06028	20.7
123.04494	1.0
124.11212	1.2
127.03951	0.9
131.04950	1.3
134.06044	2.3
136.07568	2.0
137.05952	2.6
140.07062	29.6
141.07930	1.1
144.04456	5.8
144.08116	1.1
146.06004	13.7
147.04370	2.3
147.06798	1.2
148.07573	3.7
152.07065	1.1
153.01862	1.1
162.05455	4.6
167.07204	0.9
172.03946	28.6
172.07547	1.4
173.04697	1.6
174.05489	9.6
176.07043	7.2
181.04881	2.2
190.04974	4.4
191.34834	1.0
196.09853	1.6
197.10802	1.6
199.08679	1.9
199.12344	1.3
204.06563	48.8
206.08127	20.7
210.09299	1.4
210.11540	1.9
211.08685	3.2
211.12343	1.6
213.10371	2.2
220.10184	1.0
221.10631	1.1
223.08644	1.2
224.09332	1.4
225.10231	7.3
226.10892	1.6
227.11777	14.1
237.10223	3.0
238.10881	1.6
239.11809	4.5
241.09601	1.4
241.13393	1.3
249.10327	3.1
250.11143	1.2
251.08080	1.3
251.11864	3.5
253.09599	2.0
255.11273	1.5
261.12390	3.6
262.10974	1.4
263.08530	1.3
263.09055	1.6
263.11792	9.4
264.09058	1.0
265.09781	3.2
265.13239	1.5
267.11307	2.3
269.12842	9.2
271.10489	4.7
275.11740	1.2
277.09756	3.3
278.10486	1.3
279.11200	5.5
279.13904	1.1
283.10797	11.9
284.11496	7.2
285.12360	5.2
287.13895	27.1
289.12930	1.1
291.11319	4.9
292.11960	1.4
293.12817	1.4
295.10855	2.9
296.11560	1.9
297.12347	6.0
300.12109	3.6
301.12112	4.2
302.12952	1.1
307.10785	1.2
309.12259	5.7
310.12952	2.1
311.14017	1.5
312.14996	1.9
313.11823	17.6
314.12863	2.7
315.13730	4.0
316.14529	9.6
316.17798	1.8
323.10260	2.2
323.13898	3.7
324.11072	1.5
326.16635	2.3
327.17456	1.4
328.14410	2.7
329.11588	4.3
329.15247	2.0
330.12296	4.3
330.15994	8.7
331.12872	7.3
331.16806	11.4
332.17627	2.9
336.11008	3.9
337.11771	3.4
338.12555	1.9
339.13657	2.3
340.14615	1.2
342.12439	6.2
342.15994	1.5
343.13116	5.2
344.13879	2.0
344.17575	6.8
345.14478	24.3
354.15994	1.9
355.13660	1.6
356.13864	6.6
357.14871	2.8
358.15506	10.2
367.12903	2.7
368.13675	3.4
369.14651	7.1
370.11725	2.4
370.15787	5.5
371.16797	1.2
372.17148	6.4
380.13962	1.3
382.11865	3.5
382.15906	1.9
383.12732	1.5
384.13409	15.3
384.17477	0.8
385.14148	2.9
386.14380	4.8
386.18832	3.5
388.16742	2.5
390.17966	8.0
392.19601	1.1
398.14938	14.9
399.15771	28.5
400.16550	35.5
401.17651	1.7
402.14139	2.2
412.16727	1.1
414.18207	6.4
415.18790	1.6
416.16190	3.4
417.16876	7.4
418.17627	12.1
430.17593	4.3
431.18256	2.2
440.15939	5.6
442.17487	2.3
444.15421	2.1
458.17102	53.2
459.17862	28.6
460.18530	6.8
476.18610	1.3
478.19806	2.3
490.19760	14.1
491.20340	5.4
508.20789	9.4
510.22668	4.7
555.25909	2.4
557.23846	4.1
581.23871	11.3
588.76648	1.0
599.25037	100.0
600.24896	3.4
631.27612	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	631.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57905	0.4
64.17945	0.4
67.04366	0.4
69.03415	1.0
69.57664	2.1
72.93781	0.6
81.03410	0.6
85.02909	0.5
97.02872	1.4
109.02873	1.0
127.03905	1.0
152.96297	0.8
158.97356	0.6
180.95717	3.7
182.53441	0.4
197.97217	0.9
198.96887	56.5
216.97954	41.5
217.01024	0.7
221.98538	1.2
234.99089	1.2
236.98526	0.5
239.97200	0.5
240.97932	3.8
250.99954	0.9
252.97900	1.7
264.97946	1.8
266.99832	0.8
276.97916	5.9
278.52563	0.5
278.99469	0.8
282.99155	0.5
305.98373	1.7
306.98990	100.0
307.99252	1.1
325.00150	1.5
342.01349	0.4
343.01138	27.4
344.01376	0.5
348.01630	1.3
379.03174	1.7
416.02469	0.5
469.04282	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2764
Annotation	Unknow
Peak:m/z	Relative Intensity
62.55487	1.4
67.05499	2.6
69.07072	3.8
70.85844	3.1
79.05498	1.6
84.55133	1.5
85.81381	1.2
88.81088	1.2
90.94765	1.3
94.06562	7.9
95.04967	1.3
108.08094	1.7
116.05045	1.7
120.08191	1.4
122.06037	23.9
123.04404	1.6
129.07053	1.7
134.06050	1.9
136.07570	1.6
138.05518	1.8
140.07068	40.3
140.25052	1.3
144.04440	2.1
146.05986	14.1
148.07552	2.3
152.07118	1.7
162.05502	4.2
172.03926	17.9
173.04790	3.1
174.05522	19.2
176.07057	6.4
183.10576	1.3
190.05037	4.2
191.05786	2.1
192.06615	1.9
197.07210	1.4
199.08659	1.8
199.12392	2.2
204.06573	35.0
206.08131	10.1
211.08727	4.3
212.09377	1.7
223.12306	1.2
224.09390	2.3
225.10286	6.2
227.11761	12.7
236.09596	1.7
237.10242	3.4
238.11047	2.2
239.11743	4.3
241.09644	2.1
249.10280	4.6
251.11856	3.4
253.09727	3.7
255.11147	1.8
261.12381	1.8
263.08969	1.6
263.11835	11.0
264.08990	2.3
264.12537	1.9
265.09714	3.0
267.11301	3.6
268.09546	1.4
269.12857	12.6
271.10806	3.5
277.09665	3.8
279.11273	5.1
283.10733	12.0
284.11502	4.2
285.12335	6.3
287.13922	31.4
291.11343	4.1
295.10898	3.4
296.85284	1.3
297.12396	4.6
300.11832	1.5
301.12082	4.3
302.13165	1.7
309.12357	6.8
311.10452	1.4
312.15427	1.3
313.11813	42.6
314.12885	2.6
315.13837	2.2
316.14438	4.9
317.27124	1.6
323.13861	4.7
327.13654	1.5
328.14551	3.1
329.11462	3.9
329.15134	2.6
330.12265	4.0
330.16104	6.3
331.12839	8.0
331.16846	8.1
336.11081	2.7
337.11768	3.7
342.12305	7.0
342.16064	1.9
343.13144	3.7
344.13980	1.8
344.17526	6.6
345.14371	18.6
354.16162	3.0
355.13309	2.7
356.13876	3.6
357.14886	2.5
358.15564	8.2
363.15137	1.4
367.12949	4.1
368.13733	5.5
368.17752	1.7
369.14673	6.1
370.15472	4.8
371.16263	1.4
372.17050	3.2
380.13837	1.7
382.11801	4.6
383.12488	2.7
384.13464	12.3
385.14093	2.7
386.14740	6.9
386.19336	2.0
388.16559	2.3
390.18121	5.0
398.15018	17.6
399.15826	23.3
400.16556	34.6
400.21783	1.8
412.16599	2.8
414.18262	7.9
416.16245	3.4
417.16763	8.8
418.17670	12.9
430.17691	3.1
435.18130	2.3
436.18793	1.6
440.16040	5.7
441.17096	2.0
442.17108	1.6
444.15839	1.9
448.18686	2.6
458.17139	44.4
459.17883	22.5
460.18387	6.1
476.18027	7.2
477.18713	2.0
478.19781	3.2
490.19742	6.0
491.20343	2.1
508.20801	12.2
510.22522	2.7
555.25854	2.5
557.23816	3.8
581.23840	9.3
599.25018	100.0
600.25226	1.9
631.27600	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	1.1
67.05499	0.9
69.80647	0.8
70.13757	4.3
78.57504	0.9
79.05479	1.8
80.05029	1.2
81.05772	1.0
81.07063	1.9
83.07887	0.9
91.05481	1.6
93.07038	1.0
94.06570	5.5
105.07030	1.4
106.06544	6.2
107.06794	1.0
107.07355	9.8
108.07402	1.9
108.08119	31.7
116.05016	1.7
118.06519	2.1
120.04456	3.1
120.08112	8.5
121.08878	5.7
122.06011	6.9
122.09669	26.4
131.07329	1.3
132.08025	1.4
134.06017	4.7
134.09624	1.1
135.06812	2.3
136.07573	18.9
144.04457	4.2
146.06001	9.9
146.09622	1.8
146.76984	1.0
148.07581	20.0
149.08311	3.4
150.09143	100.0
151.09500	1.1
152.07079	22.0
160.03966	1.5
160.07568	2.0
162.05478	2.8
164.07068	6.6
165.07854	2.6
166.08649	24.6
168.08023	0.9
172.03960	14.6
172.07529	1.0
174.05484	4.3
174.09155	3.6
176.07063	2.7
182.09596	1.1
184.09889	1.4
190.04999	12.8
197.10770	2.7
198.11543	5.7
199.12373	1.7
201.10187	1.3
204.06555	19.9
209.10745	2.6
210.11488	10.7
211.08731	1.7
211.12288	12.6
212.09425	2.0
212.13039	4.9
213.10231	1.2
213.13864	2.4
218.08128	3.0
221.10735	1.8
222.11465	1.3
223.12273	10.7
224.09381	1.9
224.13071	2.8
225.10211	13.2
225.13858	3.1
226.10983	7.7
227.11801	6.1
229.09613	1.3
229.13364	4.6
233.10703	1.7
235.08696	3.0
235.12325	3.8
236.09418	2.8
236.13094	1.3
237.10190	14.8
237.13899	3.2
238.11006	15.4
239.11804	17.8
240.12531	1.3
241.09750	1.8
241.13408	3.5
246.07625	1.8
248.09384	2.3
249.10219	9.5
250.11049	6.5
251.08102	1.6
251.11795	25.9
252.08852	3.1
252.12576	5.1
253.09683	3.6
253.13359	8.7
254.10443	1.2
255.11325	4.1
255.14851	1.4
256.12073	9.6
257.12762	5.4
261.10220	1.4
262.11075	6.3
263.08118	1.4
263.08716	1.7
263.11780	22.8
264.08826	5.8
264.12421	5.9
265.09732	12.9
265.13345	12.9
266.10495	11.3
267.11298	29.8
268.11981	2.2
269.12823	9.8
270.10114	1.0
271.11197	1.5
271.14426	13.1
275.11859	1.8
276.12585	2.1
277.09714	3.8
277.13367	3.1
278.10455	7.5
279.11295	52.1
280.12027	9.9
281.12842	15.6
282.10098	1.7
282.13651	2.7
283.10803	7.3
283.14383	5.9
284.11533	18.1
285.12329	47.7
287.13983	6.2
289.15405	2.6
291.11282	15.1
292.12030	3.9
293.09244	3.0
293.12769	17.3
295.10797	3.9
295.14200	1.8
296.11539	10.4
297.12341	66.5
298.13153	4.6
299.13834	2.3
307.10773	4.3
308.11481	1.4
309.12354	33.4
310.13055	9.2
311.10239	5.2
311.13895	8.9
312.10977	1.6
313.11978	2.2
313.15540	1.0
316.14633	1.1
319.10773	12.7
321.12332	25.5
322.13083	1.4
323.10251	16.8
323.13910	1.4
324.10931	1.9
324.14471	1.2
325.11819	19.2
326.12411	1.6
327.13416	10.5
330.12552	1.3
332.21274	2.1
337.11826	69.1
338.12302	3.4
339.13480	9.7
341.15103	2.9
343.16522	1.7
344.14014	1.8
351.13333	1.0
357.14426	5.6
358.15579	2.3
359.16080	1.0
360.20721	3.3
367.12985	1.4
369.14566	5.4
371.16086	3.3
372.16650	1.5
374.18820	2.2
376.16464	1.1
385.13840	2.5
386.18845	1.7
388.16034	1.2
388.20276	7.4
392.19678	1.1
396.16873	1.1
400.16428	4.7
401.17337	1.2
402.17844	2.0
405.20633	1.8
406.21286	6.2
412.16177	1.3
414.18134	4.2
416.19751	12.1
418.17288	2.3
420.19226	3.4
430.17392	6.4
430.21555	5.5
432.18979	5.7
433.19992	35.9
434.20737	28.0
442.17389	3.9
446.20963	5.0
447.21234	2.8
448.18597	21.0
458.20813	6.4
460.18677	66.4
461.19409	11.6
462.20197	13.9
474.20251	64.6
475.20929	14.2
476.21832	20.9
480.21109	1.9
492.21368	5.5
492.27386	1.1
506.22919	14.0
507.23764	7.4
555.25958	2.2
569.27399	1.4
579.26031	12.4
597.27094	81.7
598.27588	1.5
629.29462	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	629.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00967	1.9
67.05506	4.4
69.23660	2.4
69.23990	22.2
79.05491	3.0
81.07065	3.3
91.05479	3.9
93.07053	4.0
94.06522	4.3
95.08603	2.9
98.20744	4.2
98.97604	3.2
105.07001	4.5
106.06570	4.8
107.07327	8.7
108.08123	28.4
109.10149	2.2
116.04995	4.6
119.08604	3.1
120.04483	5.2
120.08091	7.8
121.08902	3.7
122.06033	10.2
122.09676	24.3
132.08153	2.0
134.06053	2.8
136.07578	16.1
144.04469	3.7
146.06017	10.6
148.07600	20.6
150.09151	100.0
152.07095	14.4
158.09787	2.0
158.53639	1.8
160.03943	2.4
164.07092	4.1
166.08659	26.9
167.07050	2.0
172.03947	17.6
174.05499	2.4
174.09132	3.0
174.47046	2.0
176.06961	2.6
189.09279	1.9
190.04955	12.7
197.10730	2.5
198.11552	4.4
204.06592	23.3
210.11626	5.3
211.12352	8.6
212.09427	4.9
212.13069	5.6
213.14035	2.2
218.08102	5.3
221.10852	3.1
222.11566	2.8
223.12326	8.5
224.09492	2.8
225.10223	11.7
225.13852	3.8
226.11092	6.9
227.11823	5.9
229.13312	3.3
233.10875	2.1
235.12328	4.1
236.09315	3.8
237.10196	15.4
237.13768	4.9
238.11090	11.3
239.11684	13.0
241.13280	2.4
248.09470	4.0
249.10202	11.1
250.11005	9.1
251.11830	18.7
252.12540	4.6
253.09732	2.8
253.13387	8.7
255.11308	3.1
256.12125	5.3
257.12936	5.7
262.11069	5.9
263.11902	28.4
263.14542	4.1
264.08420	3.6
264.12628	7.9
265.09808	9.6
265.13318	12.4
266.10458	9.0
267.11310	25.6
269.12946	8.3
271.14493	11.7
277.09589	4.7
278.10425	5.3
279.11310	43.1
280.12054	7.5
281.12787	12.0
282.10138	2.1
282.13470	3.1
283.10855	6.8
283.14481	5.7
284.11499	18.4
285.12344	37.1
287.05530	7.8
287.13971	5.4
289.15387	3.4
291.11304	26.1
292.12061	4.4
293.09583	3.4
293.12775	19.3
294.13516	2.8
295.10800	3.5
296.11618	7.9
297.12335	61.6
298.13205	4.3
307.10995	2.1
309.12320	37.2
310.13150	9.1
311.10266	4.1
311.13815	5.8
313.11664	2.1
319.10825	16.5
321.12317	21.0
323.10263	12.1
323.13708	3.4
325.11877	22.0
327.13416	11.5
337.11850	84.2
338.12186	2.5
339.13367	8.8
341.14865	2.9
349.49866	2.1
357.14536	6.8
358.15402	2.6
367.12943	3.6
369.14444	4.9
371.15958	4.2
371.87711	2.0
385.14191	3.8
388.20206	7.5
400.16422	5.1
405.20633	2.8
406.21350	5.9
416.19781	12.2
418.17291	4.0
419.52206	1.9
420.19196	2.6
430.17502	7.9
432.18933	4.0
433.19971	33.1
433.25558	3.6
434.20676	29.0
442.17731	6.0
446.20764	8.4
448.18600	28.0
460.18668	71.0
461.19421	13.0
462.20224	12.3
474.20258	76.3
475.21088	9.4
475.39413	2.1
476.21844	17.0
492.21246	7.3
506.22809	20.0
507.23480	8.4
521.25354	2.3
579.26044	12.5
597.27063	73.9
598.27557	2.8
606.33655	5.2
629.30475	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	628.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
55.56990	0.9
56.96566	10.4
57.07073	1.0
67.05504	1.3
69.07072	1.1
71.61861	1.0
71.95258	1.5
73.28795	0.8
77.19413	0.7
79.05484	1.5
81.07055	5.1
83.04967	0.8
83.08591	1.1
84.96004	0.8
91.05466	1.8
93.07057	3.4
95.08614	5.6
95.29334	0.7
98.97587	22.1
105.07027	4.7
107.08604	4.3
108.08142	1.4
108.35156	0.8
109.10142	3.3
116.98627	14.3
119.08595	5.1
121.10165	6.1
123.11705	2.3
131.08577	2.5
133.10139	6.7
134.99628	7.0
135.11710	1.3
140.00229	1.0
145.10121	3.2
147.11716	2.3
150.09154	1.5
158.01210	0.9
159.11702	3.1
161.13286	1.0
172.03992	1.1
173.13264	1.8
175.14871	1.7
187.14787	1.9
189.16409	2.6
201.16365	2.4
203.18005	0.8
204.06546	1.5
205.07071	0.9
215.17947	1.7
269.12695	0.8
279.70712	0.7
287.13824	1.0
309.13599	2.3
323.15298	1.9
325.17056	0.9
327.14780	2.1
329.16342	1.9
341.16385	1.9
342.12292	1.0
371.17361	1.4
379.21771	1.0
399.15491	2.4
400.15948	1.6
417.16254	0.9
427.24924	1.0
449.27502	1.0
458.16901	1.3
459.17365	4.1
461.27338	3.2
479.28516	7.2
491.20486	1.5
491.28259	2.9
497.29422	6.7
507.30756	1.1
509.29419	5.1
515.30408	4.5
527.30573	17.8
533.31104	2.0
543.33624	2.8
545.31567	16.3
561.34851	6.0
563.31763	1.7
568.33142	1.8
584.36084	1.0
587.23065	1.5
587.32507	34.8
596.25830	7.2
605.33630	100.0
606.33545	2.1
623.33856	1.6
628.35205	15.9
629.35931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	628.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	1.2
56.96572	8.7
58.77230	0.8
59.00039	0.8
59.70637	0.9
60.61321	0.9
67.05491	1.5
69.07040	1.0
71.62200	1.3
71.95281	1.4
79.05508	1.6
80.39979	0.8
81.07054	3.1
83.08610	0.9
86.09705	2.9
91.05486	1.3
92.93427	0.8
93.07050	3.0
95.08613	2.8
98.97584	21.2
105.07037	4.2
107.08605	4.0
109.10163	3.3
116.98634	16.0
119.08597	3.7
121.10156	3.3
124.99924	1.1
131.08652	1.3
133.10127	3.5
134.99655	7.8
140.00180	1.7
145.10158	1.3
147.11694	1.3
158.01230	1.8
159.11707	1.8
161.13239	1.3
173.13242	1.6
175.14786	2.1
184.07399	6.6
187.14804	1.0
189.16240	1.8
201.16451	1.3
245.12160	0.8
263.27408	0.9
327.14774	2.1
414.44785	1.0
423.80185	0.8
447.25369	1.3
448.39142	0.9
465.26999	1.2
473.27457	1.7
479.28510	2.6
481.26401	1.7
491.28342	10.7
493.26382	1.1
497.29211	3.7
499.27469	1.1
509.29419	7.0
511.27728	1.0
513.28809	3.6
515.30554	8.5
527.30548	12.3
531.29688	4.7
533.31482	12.9
543.34534	1.0
545.31281	5.8
563.32745	4.5
568.33093	1.5
581.33398	6.2
587.32568	63.5
588.32983	2.6
605.33600	100.0
606.33539	2.2
623.34741	2.6
628.26239	1.4
628.35400	19.9
629.34979	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	628.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96575	9.7
67.05503	1.7
69.07059	1.4
79.05514	1.6
81.07049	6.5
83.04993	1.1
84.96040	1.1
91.05481	2.1
93.07058	5.8
95.08595	4.6
98.96999	1.7
98.97591	20.3
105.07040	6.6
106.48626	0.9
107.07317	0.9
107.08595	6.9
109.06529	1.4
109.10148	2.6
115.77735	0.9
116.98636	15.4
117.07047	1.0
119.07772	0.9
119.08575	5.9
121.10112	6.1
122.09682	2.8
123.11720	1.3
131.08546	1.7
133.10136	5.5
134.99673	6.3
135.11681	2.3
145.10138	2.8
146.66322	1.1
147.11649	2.3
149.13217	1.0
150.09137	6.8
151.09454	2.7
157.10213	1.3
159.11678	3.7
161.13287	0.9
173.13255	1.3
175.14702	1.8
187.14824	1.6
189.16371	2.4
201.16415	3.4
213.16437	1.1
215.17906	1.7
225.08661	1.0
238.10724	1.2
239.11305	1.2
249.10120	2.2
250.10934	2.9
251.11447	3.3
252.12019	1.5
257.85095	0.8
262.10696	1.4
263.11746	6.5
264.12186	5.8
278.10391	1.4
279.11276	2.5
280.11624	3.9
291.11404	1.8
292.11725	2.0
294.12988	1.0
307.10922	1.3
308.11359	2.2
309.13138	1.8
310.12314	1.2
323.14871	1.5
327.14877	2.7
329.16318	1.3
336.10648	1.7
337.11697	3.5
338.12140	4.3
355.12738	1.2
356.13306	1.2
367.12933	2.7
368.13248	2.8
369.14346	1.4
370.14243	0.9
459.17300	1.6
461.27203	2.4
475.20554	2.4
479.28455	5.7
491.28149	3.1
497.29037	5.4
504.21231	5.5
505.21671	22.3
506.22507	5.7
507.23297	12.7
507.88235	1.0
509.29477	6.6
515.30225	3.1
527.30475	16.1
533.31293	1.8
543.33856	1.7
545.24420	1.1
545.31732	13.8
561.34570	4.6
563.32324	2.2
568.32892	1.8
587.32581	37.4
592.32922	1.2
596.25671	1.9
605.33649	100.0
606.34357	2.1
619.34625	1.1
623.34595	1.7
628.26294	1.0
628.35278	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	627.4618
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03967	3.5
55.01872	26.4
55.05512	26.9
57.03439	10.7
65.03937	6.4
67.05508	85.7
69.06712	2.4
69.07072	35.2
71.04995	3.7
73.62147	1.9
79.05492	64.8
81.03410	6.9
81.07059	89.6
83.05000	10.1
83.08627	8.5
85.06541	4.6
88.94814	2.0
91.05484	61.2
93.07050	62.5
95.01319	6.9
95.04962	10.5
95.08615	59.4
97.06539	42.8
97.10178	4.1
103.05462	3.9
105.07034	79.8
107.04964	15.6
107.08592	29.0
109.06538	12.2
109.10165	17.1
111.08073	2.6
117.07031	17.0
119.08587	39.7
121.10151	21.7
123.08089	4.8
123.11711	5.5
125.09670	2.2
129.06992	3.3
131.08572	30.4
133.10135	40.2
135.08081	2.1
135.11694	14.4
137.09618	3.9
143.08582	2.8
145.06548	2.8
145.10136	17.2
147.11684	17.8
149.09625	7.9
149.13272	6.0
157.10153	2.7
159.08022	2.3
159.11705	13.4
161.13263	6.2
163.11177	5.7
163.14949	2.3
165.09137	2.2
171.11679	4.6
173.13260	4.8
177.12807	4.9
179.14299	11.7
183.11652	2.9
185.13300	2.5
187.11157	2.9
187.14827	2.8
197.13275	4.2
201.16364	2.0
219.17459	16.2
229.19498	2.0
229.62370	2.0
247.20551	2.2
257.18976	9.0
260.78940	2.3
261.22382	2.5
275.20084	100.0
293.21100	8.6
335.25793	98.8
349.23727	20.9
360.57822	1.9
542.81085	1.8
596.44482	2.0
609.45154	68.8
610.45044	2.8
627.45917	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	627.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.9
55.01868	15.4
55.05515	30.0
55.85792	1.8
57.03428	8.5
57.07069	3.1
58.06613	2.4
65.03937	5.5
67.05508	91.4
69.03427	5.0
69.07076	33.5
71.04976	5.3
71.62297	3.0
79.05048	4.0
79.05498	72.1
81.07059	100.0
83.04985	9.6
83.08618	15.9
85.06504	5.0
91.04951	4.6
91.05481	58.8
93.07048	66.1
95.04964	10.4
95.08033	4.1
95.08608	59.2
97.06535	23.1
97.10191	11.3
99.08132	2.7
105.07038	56.6
107.04959	18.7
107.08605	45.2
109.06508	9.2
109.10147	31.7
110.36707	2.2
111.08073	4.4
115.05442	3.3
117.07025	19.0
119.08583	41.4
121.06494	3.4
121.10146	37.5
123.08067	5.0
123.11707	12.8
125.09617	7.4
128.06255	2.9
129.06987	7.2
131.07695	2.6
131.08598	24.2
133.10146	29.9
135.08051	6.6
135.11722	20.0
137.09607	5.8
139.11115	2.7
143.08563	14.6
145.10124	23.3
147.11687	25.8
149.09628	20.4
149.13229	12.8
151.11211	2.8
157.10130	8.8
159.11700	20.9
159.68248	2.4
161.09633	3.4
161.13290	7.6
163.11212	11.8
163.14932	2.9
165.12755	4.3
169.10184	6.6
171.11665	12.1
173.13242	9.6
175.14824	3.5
183.11739	6.9
185.13234	4.8
187.14818	2.6
189.11284	5.1
197.13266	5.4
201.16399	2.9
203.17986	3.3
211.14816	2.6
213.16418	3.0
215.17973	3.1
227.12817	6.0
227.18121	2.8
229.19510	2.8
239.18028	4.4
241.19353	3.1
243.21147	2.4
244.75557	2.7
247.20471	2.8
252.22079	2.4
253.53137	2.6
257.18954	9.9
259.20700	4.5
261.22113	5.8
275.20093	62.8
277.21799	2.9
293.21140	6.7
317.24689	2.5
333.24344	3.1
335.25818	29.8
349.23721	24.9
351.91586	2.2
517.40558	5.9
529.38953	2.9
535.40625	4.7
553.42670	5.3
609.35962	3.6
609.45215	45.6
627.46613	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.4622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.5
55.01878	12.5
55.05513	31.7
57.03445	8.8
57.07079	3.1
65.03944	4.6
67.05509	82.7
68.37225	1.7
69.03409	2.0
69.07070	26.2
71.04977	3.2
71.61036	2.5
77.71077	1.8
79.05051	3.4
79.05495	61.5
81.03418	3.5
81.07060	100.0
83.04977	8.3
83.08618	15.3
85.06525	3.8
91.05483	54.9
93.07052	61.8
95.04967	9.7
95.08610	56.5
97.02859	2.0
97.06093	1.6
97.06543	18.5
97.10162	6.7
99.08065	2.1
103.05473	3.4
105.04492	2.3
105.07037	52.0
107.04989	8.6
107.08605	31.8
109.06520	8.0
109.10165	22.4
111.08090	5.7
117.07049	19.3
119.07784	2.5
119.08588	39.6
121.06483	3.2
121.10149	25.4
123.08054	4.7
123.11703	9.0
125.09604	2.8
129.06998	4.1
131.08591	26.0
133.10139	27.8
135.08028	7.0
135.11705	15.5
137.09601	3.8
143.08542	4.7
145.06436	2.0
145.10143	18.5
147.08043	2.0
147.11708	20.4
149.09612	10.8
149.13274	7.4
151.11212	2.4
155.08530	3.3
157.10150	5.4
159.11708	12.1
161.09616	1.7
161.13242	8.8
163.11180	7.9
163.14851	3.2
165.12750	3.7
169.10132	3.6
171.11736	4.1
173.13243	6.4
175.14830	3.0
179.14290	5.2
183.11708	3.0
185.13211	5.1
187.14847	4.1
191.14326	1.9
195.13779	2.0
197.13246	4.8
199.14815	2.5
201.16464	3.0
213.16380	2.2
219.17445	10.6
227.17830	1.8
229.19572	2.1
237.16277	1.7
240.63507	1.7
241.19536	3.1
244.44272	1.8
247.20509	3.4
257.19034	6.0
259.20529	3.0
261.22205	4.1
267.16220	2.4
275.20087	51.6
278.50235	1.9
293.21130	7.7
331.22873	2.0
335.21967	3.0
335.25836	46.9
349.23700	20.0
529.38824	9.9
609.45221	28.6
627.46185	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	627.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19584	1.2
56.96566	1.8
67.05473	1.1
70.56239	2.6
75.43557	0.9
79.05488	1.4
80.04998	1.0
81.07062	1.9
91.05473	2.1
93.07053	1.3
94.06559	2.0
95.08611	1.4
98.97594	2.6
105.07021	2.8
106.06535	1.7
107.07329	6.0
108.04505	2.3
108.08125	25.7
116.04987	4.5
120.04484	7.1
120.08115	2.2
122.06005	2.7
122.09676	16.6
124.41447	1.0
132.04512	1.4
134.06007	2.8
136.07599	2.6
144.04451	8.9
146.06029	7.9
148.07620	1.4
150.09157	29.1
152.07098	1.6
160.03986	1.9
162.05516	3.3
172.03955	28.1
174.05533	4.3
176.07076	2.7
182.09718	1.3
183.09158	1.4
184.09946	1.0
190.05000	16.2
196.09912	1.6
197.10767	2.3
199.12302	2.9
200.06923	1.0
204.06586	38.1
209.10786	1.5
210.09355	1.5
210.11618	1.2
211.08620	5.3
212.09438	3.1
213.10263	2.3
213.13846	1.8
213.16214	1.0
223.08614	2.2
223.12155	1.2
224.09277	1.8
225.10255	10.6
226.10918	1.8
227.11800	21.0
229.13284	1.0
236.09340	1.4
237.10265	4.3
238.11000	2.5
239.11823	6.3
241.09782	2.0
241.13385	2.6
249.10233	1.8
251.08241	2.4
251.11694	2.5
252.08955	2.3
253.09734	6.4
253.13458	2.2
257.12894	8.5
263.08331	1.7
264.08887	3.7
265.09763	5.1
266.10507	1.2
267.11353	4.3
269.12872	24.3
271.10767	8.5
277.09698	2.7
279.11380	1.8
281.12872	10.3
283.10794	8.4
283.14407	5.1
284.11591	7.2
285.12366	8.8
286.13083	3.3
287.13913	41.9
293.09601	1.3
294.10022	1.4
295.10779	1.9
297.12311	3.9
298.13361	1.3
301.12762	1.1
305.09027	1.4
309.12357	31.9
311.14182	7.5
312.14996	2.6
313.12686	2.1
314.12830	3.7
315.13968	1.0
316.14484	2.0
323.10245	9.9
324.14853	1.2
326.13000	1.2
326.16653	2.8
327.14035	4.7
327.17407	1.9
328.10794	4.8
328.14374	2.3
329.15393	2.4
330.15952	2.0
331.16833	2.3
339.10489	1.3
340.10715	1.0
340.14609	1.6
341.11295	1.5
341.15222	7.5
342.12393	7.7
342.15961	1.3
343.13226	4.8
352.14468	1.3
354.12350	1.8
354.16199	1.2
355.13312	2.3
356.13925	7.2
357.14752	3.3
358.15570	6.6
365.11240	1.3
367.13672	1.0
370.11948	1.3
370.15530	8.1
371.16342	2.1
372.17236	1.8
382.11813	5.0
383.12540	3.8
384.13339	5.6
384.17520	1.3
385.14362	2.6
386.14319	1.8
386.19077	5.6
390.18124	3.3
394.15723	1.8
397.14908	1.3
398.15024	27.9
399.15808	43.1
400.16379	1.3
404.16046	3.8
412.16614	2.6
414.18298	5.2
416.16074	22.0
422.16565	1.7
428.16031	2.1
430.17532	4.1
440.16016	9.0
446.17209	9.6
458.17148	80.0
478.26761	1.0
490.19724	15.9
509.25266	1.0
544.30267	1.3
551.26526	4.1
553.24469	9.6
567.25928	4.2
577.24548	8.8
586.31171	4.3
595.25574	100.0
596.25549	2.1
603.32080	1.6
604.24121	1.4
604.32690	13.6
627.33380	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	627.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49605	1.0
54.05200	1.3
55.05508	1.5
56.96552	2.3
67.05497	1.9
79.05473	2.0
81.07044	3.5
91.05472	2.4
93.07044	2.9
94.06563	1.3
98.97567	1.9
105.07031	2.1
107.07331	6.1
107.08578	1.8
108.08109	2.6
109.10156	1.7
116.98634	1.8
119.08568	2.9
120.08099	3.0
121.08878	1.3
122.09666	11.5
122.51823	1.2
125.06052	1.2
131.08499	1.3
133.10080	1.5
134.99806	1.4
135.06822	2.0
136.07539	1.6
138.67493	1.1
148.07538	1.7
150.09142	35.3
181.65704	1.4
184.07104	1.1
185.13275	1.3
235.06429	1.1
235.08621	6.7
237.10210	8.6
237.76657	1.4
238.11008	6.4
239.11757	2.8
247.08740	6.1
248.09436	7.7
249.10220	13.0
250.10989	18.5
251.11783	14.6
252.12427	1.5
261.10251	10.0
262.11038	4.5
263.08234	1.7
263.11801	38.3
264.08969	1.7
264.12512	3.8
265.09787	4.7
265.13388	4.4
267.11349	2.6
271.83490	1.2
275.08139	1.1
277.09689	5.5
278.10434	3.6
279.08322	2.4
279.11276	33.2
281.12830	2.1
282.10068	2.2
283.10699	1.9
289.09692	5.5
291.11267	17.2
292.11923	3.1
293.12808	3.2
294.10037	1.5
295.10794	3.0
307.10782	15.1
309.12360	12.2
311.13879	3.7
319.10614	3.3
321.12369	2.1
323.10312	2.2
323.13885	7.2
325.11819	2.1
327.13699	1.4
335.10281	10.4
336.10773	1.7
336.66785	1.3
337.11856	28.0
339.13480	1.4
342.15991	2.5
355.12888	7.3
356.13730	3.0
356.17728	2.3
357.14523	10.1
367.12906	24.4
368.13629	2.3
369.14389	4.5
370.15289	2.0
387.19308	3.5
402.18582	1.4
416.19974	2.3
444.19083	3.7
458.17163	3.3
474.20364	9.0
476.21872	2.2
504.21313	100.0
505.21957	8.9
506.22900	63.0
507.23380	1.8
587.32642	2.2
595.25244	3.7
605.32855	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	627.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24240	1.4
65.03934	2.2
67.05505	2.9
69.40450	3.4
69.40854	10.1
78.67239	1.3
79.05476	3.5
79.28152	2.0
79.38047	1.5
81.03393	1.8
81.07039	3.6
81.73679	1.4
91.05474	1.7
92.05013	1.5
93.07026	2.4
94.06582	1.8
95.08602	1.8
98.21439	2.4
105.06973	3.0
106.06545	2.7
107.07324	6.1
108.08125	27.3
111.04416	1.6
116.04967	5.6
120.04458	5.5
120.08109	3.6
122.06078	1.9
122.09671	17.5
134.06023	4.1
136.07539	2.6
144.04448	9.9
146.06004	9.4
146.09787	1.8
150.09157	37.2
160.03882	3.3
161.89178	1.3
162.05431	3.4
167.07158	2.5
172.03943	24.6
174.05508	3.9
176.07079	2.5
186.09157	3.2
190.05002	16.3
197.10739	2.8
199.12296	1.6
204.06581	35.0
210.09192	3.3
211.08687	4.4
212.09352	2.7
213.10196	2.3
224.09454	3.0
225.10254	12.6
226.10869	1.9
227.11819	21.3
229.13448	2.9
236.09454	3.2
237.10254	5.1
238.10901	2.4
239.11801	4.8
241.13419	4.1
249.10126	4.3
250.11035	2.5
251.11913	3.2
252.08890	2.6
253.09645	5.8
253.13336	2.4
257.12875	7.9
263.08002	3.5
263.11679	2.1
264.08939	3.6
265.09781	5.6
266.10507	3.5
267.11435	3.8
269.10245	2.6
269.12915	24.1
271.10776	10.5
277.09811	3.3
279.11337	4.2
281.09219	1.4
281.12851	9.0
283.10828	6.9
283.14026	7.8
284.11578	7.4
285.12421	10.4
286.13196	2.0
287.10876	2.9
287.13913	45.8
295.10748	2.6
297.12424	4.9
300.14981	1.8
309.12360	37.7
311.14087	8.3
312.15070	2.6
313.12360	3.0
314.12811	3.0
315.13815	3.2
323.10260	10.5
326.13174	1.9
326.16537	2.1
327.13324	6.9
328.10776	3.2
328.14346	4.0
329.15439	2.3
330.16016	3.4
331.16867	1.9
339.14011	2.2
341.11401	2.3
341.15027	6.6
342.12366	11.3
343.13028	6.4
354.16199	2.1
355.13934	3.7
356.13870	8.0
357.14487	2.7
358.15549	5.7
365.11209	2.7
366.16187	2.3
369.15924	1.9
370.15860	8.2
371.16290	1.8
372.17197	2.0
381.14612	1.6
382.11978	8.8
383.12567	5.0
384.13245	7.7
385.14099	3.5
386.14456	2.5
386.18512	4.8
390.18240	2.6
394.15710	2.2
397.14914	2.1
398.15076	26.3
399.15845	37.3
402.17896	2.1
404.15982	3.2
412.16443	2.3
414.18048	5.1
416.15979	18.1
428.16174	2.0
430.17673	3.3
440.16071	7.8
441.14349	2.9
446.17148	11.9
458.17145	87.3
490.19778	12.9
504.21353	2.3
551.26257	2.3
553.24420	11.7
559.50885	1.8
567.25824	7.0
577.24603	10.5
595.25543	100.0
596.26184	2.3
610.25073	4.8
654.57214	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21333	0.5
55.05493	0.9
56.96568	10.4
67.05491	2.3
69.07069	0.7
71.95251	0.7
79.05478	1.9
81.03422	0.6
81.07042	3.5
83.04980	1.0
84.96025	0.9
85.02894	0.7
91.05475	2.2
93.07049	3.0
95.08617	2.9
98.97587	13.9
105.07040	3.7
107.08598	3.6
109.10173	1.5
116.98628	8.3
118.05373	0.6
119.08592	3.9
121.10129	3.0
123.11757	0.9
123.89687	0.6
131.08592	1.6
133.10129	3.2
134.99683	1.8
135.11684	1.1
143.08531	1.5
145.10117	3.2
147.11671	2.2
149.13264	0.7
157.10069	1.3
159.11723	1.6
163.14865	0.8
169.10161	0.6
171.11702	1.6
173.13274	1.0
175.14845	0.8
183.11665	0.8
185.13345	0.8
187.14856	1.1
193.05272	0.5
199.11276	0.7
199.14862	0.9
201.16428	0.9
213.16406	0.9
215.17978	0.9
223.14923	0.6
225.04578	0.6
229.07596	0.5
233.04993	0.6
239.17990	0.7
241.19525	0.6
253.19537	0.6
261.11691	1.1
277.11194	0.8
291.12842	0.9
309.13733	2.9
323.15442	0.8
327.14813	2.0
329.16406	0.9
425.23544	1.2
429.23984	0.5
447.25580	0.8
449.27402	1.2
454.21182	1.0
459.25888	2.3
461.27972	1.1
463.24829	1.3
465.27014	0.7
467.28500	0.7
477.26929	7.3
479.28192	0.6
489.26373	2.4
495.27551	3.8
500.28796	0.7
507.27823	6.8
513.29163	2.5
525.28809	10.1
531.29565	2.4
536.31244	0.7
541.32190	0.8
543.29877	14.7
559.33289	1.3
561.30908	2.2
566.31354	0.9
585.30945	32.3
603.32056	100.0
604.32269	1.6
621.33044	2.0
626.33154	19.2
627.34637	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.1
55.01875	51.1
55.05511	34.6
55.91520	2.3
57.03437	9.5
57.07075	4.4
59.14254	2.0
60.07261	2.2
64.81640	2.3
65.03948	6.5
67.05505	77.5
69.03442	2.3
69.07068	91.0
69.34857	14.5
69.35266	3.6
71.04995	6.0
74.07151	1.9
77.03923	2.6
79.05045	4.0
79.05496	60.5
79.60789	1.9
81.03419	6.4
81.07056	87.3
83.04990	13.9
83.08634	16.1
85.06548	4.0
91.05479	77.7
93.07043	56.0
95.01352	6.2
95.04963	15.8
95.08031	4.3
95.08611	60.7
97.06531	56.7
97.10162	10.0
98.20760	4.4
99.08070	5.9
102.49430	1.9
103.05484	2.7
105.07033	88.1
107.04956	20.7
107.08592	40.0
109.06524	7.6
109.10164	18.0
111.08108	5.6
113.09646	2.9
115.05492	4.9
117.07020	30.6
119.08578	63.2
121.06516	3.3
121.10130	21.8
123.04470	3.5
123.08090	7.0
123.11726	4.9
125.09654	7.3
128.06206	8.1
129.07036	22.2
130.07806	2.4
131.08563	55.3
131.09477	3.3
133.06514	4.2
133.10127	50.3
135.08052	3.2
135.11700	18.1
137.09641	4.7
139.11272	3.8
141.06964	10.0
142.07735	3.1
143.08574	33.1
145.06458	3.5
145.10129	44.6
147.08087	3.4
147.11682	34.8
147.12746	2.5
149.09645	9.8
149.13287	7.8
151.11230	2.6
154.07770	2.5
155.08537	19.6
156.09351	3.6
157.10141	33.1
158.10738	2.3
159.08089	4.3
159.11688	34.8
161.13275	27.4
163.11211	7.2
163.14809	4.5
165.07037	2.3
165.09158	4.0
165.12761	2.2
167.08621	10.1
168.09273	2.3
169.10127	23.1
171.10214	6.0
171.11736	29.2
173.13266	23.0
175.11279	5.4
175.14799	10.8
176.28537	2.1
177.12775	6.7
179.08591	4.4
179.14357	10.8
181.10165	15.6
183.11678	15.9
185.13260	18.6
187.11232	4.7
187.14738	11.2
189.12698	2.5
193.10172	5.9
195.11749	11.0
197.13248	14.1
199.11302	3.2
199.14856	11.0
201.12808	2.3
201.16455	2.5
203.14378	2.6
207.11745	3.7
209.13342	11.0
211.14848	8.9
213.16457	7.9
215.14421	2.6
215.18005	3.2
217.15977	2.2
219.11688	1.9
221.13327	5.5
223.14838	8.3
225.16470	4.2
227.14375	3.1
229.19580	2.7
231.21132	5.5
235.14920	4.6
237.16356	6.3
239.17992	5.2
241.15956	2.4
241.19521	24.3
243.17480	2.7
249.21640	2.0
257.18976	13.4
259.20596	25.7
265.19647	2.7
266.52792	2.2
273.18683	4.9
275.20084	54.8
277.21851	3.1
279.20959	2.9
291.19839	2.7
293.21432	2.8
297.22232	3.3
309.22250	3.3
313.25122	2.5
315.23306	6.1
323.23666	3.1
331.22714	3.0
333.24185	29.2
339.22968	2.1
341.24979	2.8
347.22357	2.3
349.23779	39.4
353.24939	2.9
419.33255	7.8
421.30637	2.2
435.32779	9.1
437.34009	21.2
453.34317	3.6
473.34216	3.3
493.36798	4.8
501.35721	2.7
509.36353	7.4
511.38110	18.0
513.35919	13.1
515.38721	8.9
527.37408	11.4
529.38910	11.0
533.39709	13.6
551.41193	9.3
555.37018	3.0
556.37836	3.7
589.43030	3.8
597.44800	3.2
604.63531	2.4
607.43512	73.0
625.44690	100.0
626.44946	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	8.1
55.01877	34.3
55.05509	30.9
57.03435	9.0
57.07072	4.0
59.05011	2.3
65.03947	5.3
67.05505	65.0
69.03408	3.5
69.07072	68.0
69.29013	4.3
69.29346	22.7
71.04987	4.7
77.03905	2.4
79.05495	58.2
81.03433	9.6
81.07058	75.9
83.05001	10.0
83.08639	13.2
85.06564	6.5
91.05482	70.2
93.07049	53.0
95.01323	4.0
95.04977	11.6
95.08617	52.8
97.06535	40.4
97.10207	10.6
99.08109	4.4
101.02246	2.2
105.07033	65.1
107.04967	17.8
107.08595	38.1
109.06537	7.3
109.10169	21.2
111.08114	4.9
115.05573	3.2
117.07024	29.1
119.08584	49.1
121.06538	7.2
121.10169	18.0
123.08086	7.7
123.11733	5.0
125.09647	7.2
128.06248	5.6
129.07011	26.4
130.07819	2.5
131.08575	42.0
131.09502	3.4
133.06497	3.4
133.10130	35.9
135.08105	4.7
135.11674	14.6
137.09616	3.1
139.11208	4.1
141.07042	9.8
142.07837	5.1
143.08565	31.9
144.09412	2.1
145.06479	3.1
145.10117	40.6
147.08073	3.9
147.11702	31.8
149.09641	9.3
149.13303	8.5
151.11195	3.9
154.07826	2.7
155.08574	14.3
157.10138	27.2
159.11697	26.9
161.09628	4.6
161.13260	24.7
163.11215	6.0
163.14932	3.9
165.12808	3.0
167.08658	7.5
169.10143	21.4
171.10318	3.4
171.11664	25.3
171.51003	2.1
173.13268	16.9
175.14911	8.9
177.12772	4.7
179.08612	4.1
179.14386	6.9
181.10187	10.3
183.11697	18.3
185.13252	21.5
187.11255	5.6
187.14871	9.0
189.12755	3.1
193.10222	4.0
195.11789	12.1
195.13342	2.6
197.13246	12.6
199.14824	12.8
201.16495	3.6
205.12331	2.4
207.11861	4.3
209.13364	9.6
211.14896	8.7
213.16505	6.2
221.13371	4.2
223.14923	6.1
225.16493	4.3
229.19635	3.8
235.14807	2.9
237.16457	5.4
239.18022	4.6
241.19579	15.9
243.21175	2.6
247.20685	3.6
249.16399	4.2
251.17943	4.1
253.19667	3.2
257.19159	9.0
259.20581	21.4
273.18509	4.6
275.20108	34.6
277.21936	3.9
291.19604	5.9
293.21176	7.5
297.22232	2.7
315.23193	6.2
333.24329	21.1
339.23148	3.3
339.26974	2.9
349.23700	20.3
353.24857	3.0
387.29407	2.6
435.32639	9.7
437.34152	11.0
453.33820	2.5
455.35080	2.5
484.92389	2.5
493.36826	3.6
509.36404	4.7
511.37601	12.1
513.35809	10.8
515.39166	5.9
527.37683	7.1
529.39227	3.3
533.39929	13.5
551.41229	7.3
555.37213	3.7
599.10272	2.5
607.43604	55.1
625.44763	100.0
626.44397	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	625.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01579	1.0
51.02356	1.3
53.03949	4.0
55.01875	4.5
55.05515	21.6
57.03442	3.2
57.07051	1.3
59.04979	1.0
65.03910	2.9
65.04218	0.7
67.05508	47.1
69.03432	10.3
69.07074	27.4
69.44395	4.8
71.04950	2.8
71.08603	1.1
77.03922	1.3
79.05499	40.4
81.03425	3.9
81.07061	35.8
83.04993	3.4
83.08634	6.6
85.06519	1.3
91.05486	30.6
93.07050	39.8
95.04975	7.3
95.08610	24.6
97.02903	10.1
97.06532	3.8
97.10175	9.1
99.08073	0.8
101.15514	0.7
103.05409	0.9
105.04472	2.0
105.07034	19.6
107.04960	5.5
107.08601	19.4
108.32083	0.7
109.06512	4.1
109.10165	12.5
111.08044	1.3
115.05407	1.6
116.06187	0.8
117.06343	0.9
117.07030	9.9
119.06114	0.7
119.07782	1.0
119.08580	15.6
121.06458	3.0
121.09307	0.9
121.10148	15.0
123.08029	2.9
123.11682	1.6
125.09643	5.4
128.06213	1.5
129.07010	3.9
130.07817	0.9
131.08572	12.7
133.06477	2.2
133.10135	10.7
134.07280	0.6
135.08031	3.0
135.11702	8.8
137.09608	2.8
141.06943	1.1
142.07838	0.7
143.08588	3.3
145.10147	8.9
147.08046	4.3
147.11702	5.6
149.09593	1.8
149.13287	5.5
153.09073	0.7
155.08548	1.8
157.10133	3.4
159.08115	1.1
159.11717	6.1
161.09607	2.2
161.13242	3.3
163.11154	1.9
163.14767	1.2
165.09065	1.8
169.10115	2.4
171.11678	1.6
173.11824	1.3
173.13243	2.6
175.11118	1.7
175.14754	1.3
177.12733	2.7
181.10115	0.9
183.11603	1.1
185.13203	1.5
187.14813	2.1
189.11134	2.8
189.12668	0.9
193.12305	0.7
195.13794	1.5
197.13232	1.0
199.14822	1.3
205.12218	1.4
209.13315	0.7
223.13297	18.2
227.12733	1.6
227.17946	1.5
243.21039	0.9
245.19022	1.5
249.14828	2.0
255.17523	1.3
261.22067	3.5
263.19821	0.8
273.18497	13.5
275.19928	0.9
283.01453	0.6
291.19559	100.0
292.19901	1.6
305.41483	0.7
309.20407	1.0
317.24875	1.8
335.25952	3.3
365.23276	2.0
365.28171	0.8
397.33749	0.7
435.33105	0.7
439.32315	0.7
607.43579	2.5
625.44666	73.8
626.45032	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	625.1556
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
50.71341	0.1
53.03935	0.3
55.66852	0.2
65.30167	0.2
67.00003	0.2
67.01860	0.5
68.99776	0.9
69.03426	0.5
69.32605	0.6
69.33030	0.9
78.04713	0.2
79.05479	0.2
81.03417	1.6
85.02911	0.4
89.03914	3.0
91.05476	0.3
97.02832	0.2
104.70274	0.2
106.15125	0.2
107.04955	0.2
109.02877	0.6
117.03381	7.6
134.03641	0.7
135.04414	2.2
137.02362	0.9
145.02844	20.2
149.02316	0.8
149.06001	2.3
153.01830	7.3
161.02332	1.5
161.93703	0.2
163.03894	0.4
171.02916	1.1
171.04208	0.2
177.05472	43.6
178.05801	0.3
179.03413	0.4
186.05537	0.3
195.06487	0.5
206.16048	0.2
219.06554	0.5
241.05032	0.9
245.04373	0.4
255.17070	0.2
259.06158	0.2
269.04431	0.5
283.05984	0.4
287.05496	100.0
288.05698	1.0
291.09753	0.2
301.06863	0.2
321.09686	3.4
329.06598	0.2
339.10617	1.3
354.32629	0.2
376.85501	0.2
399.14203	0.2
422.07257	0.2
447.36752	0.2
625.15063	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1554
Annotation	kaempferol 3-O-(6"-O-feruloyl)-glucoside
Peak:m/z	Relative Intensity
53.03945	0.1
55.05483	0.1
60.26720	0.1
64.29572	0.1
65.03941	0.1
67.01874	0.6
67.05503	0.1
68.99802	0.4
69.03418	0.3
69.07046	0.2
70.31554	0.1
79.05502	0.2
81.03420	1.1
81.07050	0.4
84.17889	0.1
85.02904	0.3
89.03915	1.5
91.05472	0.2
93.07046	0.2
95.04956	0.1
95.08601	0.2
95.89972	0.1
97.02892	0.2
99.04435	0.1
103.05445	0.2
105.07029	0.3
107.04934	0.3
107.12548	0.1
109.02883	0.5
109.06575	0.2
111.04459	0.1
116.98586	0.2
117.02587	0.2
117.03380	3.7
119.04932	0.1
119.08584	0.2
121.06533	0.2
121.10183	0.1
121.35715	0.1
124.11257	0.1
127.03921	0.4
129.01805	0.2
129.07039	0.1
131.04930	0.3
133.10133	0.2
134.03647	0.3
135.04424	2.0
135.05420	0.2
135.11714	0.1
137.02354	0.5
137.05965	0.2
140.52678	0.1
145.02847	8.9
145.10075	0.1
147.04387	0.4
149.05962	1.2
153.01823	6.1
153.05522	0.1
157.06552	0.2
157.10138	0.1
161.02269	0.7
161.09558	0.1
163.03864	0.2
167.07011	0.3
171.02905	0.6
171.04231	0.1
177.05472	29.8
178.05803	0.2
179.03441	0.3
181.04964	0.4
185.05969	0.2
186.05519	0.2
191.07045	0.1
193.20511	0.1
195.06549	0.4
201.05388	0.1
213.05351	0.3
229.69232	0.1
231.06541	0.2
241.04890	0.6
245.04584	0.2
259.05966	0.2
269.04385	0.5
271.05933	0.2
287.05496	100.0
288.05731	1.0
321.09668	2.6
339.10782	1.3
399.14508	0.2
501.72189	0.1
535.23834	0.2
625.15442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.5
53.10496	0.8
55.01867	2.3
55.05504	2.8
56.05030	3.1
56.96555	1.0
57.07062	1.1
60.04527	1.7
63.31653	0.8
67.05509	20.6
67.46111	1.0
69.03440	5.4
69.07082	2.2
70.06584	2.2
70.75951	2.6
71.04990	3.1
72.08196	0.9
79.05505	14.2
80.05009	3.4
81.03429	5.1
81.05801	1.1
81.07058	18.0
82.06573	4.3
83.04996	1.3
83.08611	3.2
83.31860	0.9
85.02905	2.6
85.06523	2.9
87.04459	2.8
91.05492	7.5
92.19703	0.8
93.07046	27.5
94.06572	18.6
95.04958	3.2
95.08609	26.3
96.08122	2.1
97.06545	7.2
98.09683	1.0
98.20718	1.0
100.15594	1.1
103.05474	1.6
105.04518	1.0
105.07042	14.4
107.07346	1.8
107.08583	1.8
109.02927	0.9
109.10164	5.2
110.09694	8.3
111.08078	15.9
117.06921	1.0
119.04903	1.4
121.02887	1.1
121.10149	4.3
122.09671	33.5
123.08077	28.7
123.11696	3.7
124.11220	1.7
127.03883	1.2
128.10721	29.1
132.05237	1.0
133.10118	1.1
135.11713	3.3
135.46761	0.9
137.05893	0.9
140.10707	100.0
141.09109	19.5
147.04414	3.3
148.04767	0.9
149.13283	1.1
153.01837	2.1
158.11765	8.7
181.04910	1.0
205.19504	2.2
209.08112	1.0
210.28525	1.0
213.05388	1.1
223.20630	2.0
268.22757	3.4
283.06076	11.4
284.67310	1.1
286.23700	5.1
287.05350	1.8
288.05655	1.5
294.24268	1.3
312.25394	2.2
344.29770	1.2
360.29007	1.0
378.30048	4.3
390.30096	7.4
396.31155	1.2
408.31082	58.2
409.31882	1.4
426.32169	67.5
427.32416	1.0
444.33380	10.2
463.14026	4.8
477.10138	1.0
625.20660	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01876	1.2
55.05511	4.1
56.05029	4.1
56.96549	1.0
57.03427	1.4
59.73484	0.8
60.04517	1.6
64.79126	0.8
65.03936	1.6
67.05505	14.7
67.30896	1.0
67.75418	0.8
69.03413	4.0
69.07063	3.2
69.75243	4.9
71.04987	4.4
71.25311	1.1
71.72989	1.0
74.32667	0.9
79.05504	14.1
80.05018	3.0
81.03408	3.1
81.05771	1.7
81.07063	15.8
82.06588	4.3
83.08636	2.0
85.02897	2.2
85.06543	3.7
87.04464	2.1
87.18922	0.9
91.05488	5.7
93.07049	23.7
94.06569	17.8
95.04944	3.3
95.08608	27.7
96.08122	3.3
97.02914	1.3
97.06550	7.2
97.10116	1.1
98.97642	1.1
105.07028	13.1
107.07339	3.3
107.08621	1.6
109.10123	3.9
110.09688	10.4
111.08083	15.6
119.08579	1.0
120.08055	1.0
121.10132	3.6
122.09672	31.1
123.08080	30.3
123.11708	1.8
124.11246	2.2
127.03851	1.0
128.10719	29.6
130.12315	1.0
133.09949	0.9
135.11685	3.2
140.10706	100.0
141.09106	16.2
147.04486	1.2
153.01778	1.5
158.11797	8.3
193.08774	0.9
197.08432	1.1
205.04665	1.0
205.19478	2.5
223.20576	2.3
252.61961	0.9
268.22687	5.7
271.05984	2.5
286.23743	3.2
372.28671	1.1
372.58563	0.9
378.30075	6.2
390.29865	8.0
396.31189	1.1
408.31073	67.8
409.31390	1.8
426.32144	47.1
427.32150	1.4
444.33124	6.4
463.13922	1.5
501.64160	1.1
551.62128	0.9
625.20990	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56881	3.3
51.75513	3.6
53.03946	12.2
55.01868	10.3
55.05513	42.3
57.03433	11.3
61.02935	5.1
62.49986	3.3
64.95092	3.0
65.03944	4.3
67.05165	4.8
67.05509	59.5
69.03434	30.4
69.07080	22.4
71.04995	14.1
71.41045	5.3
73.02897	5.1
79.05493	59.0
81.03423	100.0
81.06581	4.9
81.07057	85.3
83.04996	24.9
83.08621	29.4
85.02911	31.8
85.06532	5.4
91.05482	56.9
93.07052	51.4
95.04977	38.1
95.08598	31.5
97.02904	22.7
97.06544	9.4
97.10175	9.9
98.97523	4.7
99.04445	10.5
105.07037	52.6
107.04980	13.8
107.08595	31.8
109.02878	20.8
109.06521	11.4
109.10164	14.4
111.04463	16.1
111.08094	13.9
115.05495	5.1
117.07024	21.9
119.08587	26.5
121.06528	9.5
121.10161	21.0
123.04454	3.7
123.08065	4.2
123.11729	6.7
125.09591	4.3
127.03912	13.4
129.07007	15.3
131.08543	21.8
133.06499	9.1
133.10153	21.7
135.08063	4.4
135.11685	10.8
137.05981	13.6
137.09583	4.5
143.08569	8.5
145.06494	5.6
145.10146	15.9
147.08066	6.0
147.11697	27.3
147.99680	3.4
149.09662	3.8
149.13274	12.7
155.08522	6.9
157.10153	15.3
159.08055	3.9
159.11702	9.3
161.05939	4.5
163.33299	3.5
165.12770	9.0
171.11711	5.0
173.04507	5.7
173.77989	3.4
174.23244	3.3
175.11214	11.4
177.12737	4.5
189.11159	4.2
191.10687	5.3
193.12268	36.3
195.11801	3.4
195.13850	10.0
211.13295	52.7
223.20784	3.3
227.12729	5.5
235.13184	5.1
240.41280	4.0
257.15286	3.5
267.16003	12.7
269.17548	13.1
275.16595	4.5
285.10049	4.7
285.16931	11.4
321.17200	4.0
339.17947	5.8
369.24194	5.9
387.25162	4.1
395.20734	7.9
443.27704	8.7
461.28986	40.6
479.29837	13.6
503.28363	11.8
605.33142	5.5
623.34222	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	623.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	2.5
53.03952	14.1
55.01866	7.5
55.05515	32.6
57.03444	11.3
59.04987	2.7
61.02919	4.2
65.03937	3.4
67.05507	58.5
68.03469	1.8
68.05878	2.0
69.03423	21.8
69.07082	18.9
71.04998	10.5
71.61110	3.0
79.05499	46.6
81.03423	100.0
81.07061	67.2
83.04979	23.9
83.08627	24.5
85.02909	22.9
85.06565	3.6
91.05486	50.5
93.07049	49.2
93.07612	3.0
95.04978	29.2
95.08605	27.9
97.02899	19.5
97.06558	12.7
97.10173	7.9
99.04475	7.4
99.08096	3.7
103.05474	3.2
105.07036	32.2
107.04960	11.4
107.08600	30.3
109.02900	20.1
109.06529	6.6
109.10152	10.0
111.04465	13.1
111.08082	9.2
113.06043	3.5
115.05457	2.9
117.06997	14.8
119.08599	24.4
121.06503	6.8
121.10146	14.3
123.04391	3.1
123.08070	5.8
123.11721	5.4
125.09641	2.8
127.03928	11.8
129.07001	15.3
131.04915	3.6
131.08582	21.0
133.06508	7.2
133.10139	17.8
135.08092	4.2
135.11713	7.1
137.05981	2.1
141.07059	2.0
142.07800	2.5
143.08575	6.7
145.06477	6.2
145.10144	5.7
147.08029	3.2
147.11716	16.5
149.09659	6.0
149.13246	10.8
152.37486	1.9
153.12730	2.2
153.42854	2.1
155.08559	4.9
157.10123	13.2
159.11714	9.3
161.05917	2.0
161.09644	4.4
163.11195	4.4
165.09164	2.2
165.12790	6.8
169.10149	2.4
171.08078	2.6
171.11754	2.2
173.04532	3.2
173.05991	2.0
173.09677	2.6
173.13322	2.6
175.11139	9.9
177.12781	4.7
181.12180	3.8
183.06532	2.3
183.11711	3.9
189.11177	3.8
191.10617	4.1
193.12245	28.1
195.13824	8.8
197.13228	1.9
211.13295	39.6
213.12869	2.6
227.12856	5.2
233.15285	2.4
235.13287	2.4
249.14896	3.5
257.15378	2.1
267.15939	11.4
269.17416	9.0
283.15405	1.8
285.17249	3.8
303.15927	3.2
321.17075	2.3
337.16629	3.8
339.18002	4.9
341.24847	2.4
351.23267	3.3
355.17392	2.6
369.24152	4.6
377.19019	2.1
387.25250	3.5
395.20496	7.7
411.20334	3.9
443.27869	8.0
461.29034	27.7
479.30069	14.3
503.28513	6.5
587.32092	4.4
598.78345	2.1
605.33075	9.4
623.34283	62.6
624.34222	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	623.342
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	12.5
55.01860	7.0
55.05515	29.1
57.03432	9.2
59.05002	2.2
65.03951	3.9
67.05502	60.2
69.03427	22.0
69.07068	18.7
69.51474	5.8
69.51896	7.3
71.04984	8.5
79.05494	47.8
81.03418	94.9
81.07056	75.0
83.04975	21.8
83.08619	25.8
85.02896	20.6
85.06554	6.2
91.05477	44.9
93.07048	53.3
94.51745	1.9
95.04966	25.0
95.08611	20.1
97.02896	24.4
97.06508	10.8
97.10133	10.0
99.04481	6.5
99.08095	3.3
101.24516	1.7
101.67279	1.8
105.04532	2.1
105.07024	27.9
105.07662	2.7
107.04962	11.6
107.08605	30.0
109.02892	23.5
109.06526	6.9
109.10182	7.2
111.04447	16.2
111.08056	9.4
115.05436	2.0
117.06975	13.0
119.04938	1.9
119.08567	20.1
121.06507	8.1
121.10158	20.8
123.04427	2.4
123.08065	4.3
123.11729	4.2
125.09614	5.0
127.03912	14.4
129.07002	12.1
131.08568	21.5
133.06477	4.7
133.10141	15.9
133.58287	1.9
135.08109	3.8
135.11702	8.2
137.09554	2.8
143.08591	6.1
145.06522	4.3
145.10097	5.0
147.07996	2.5
147.11674	15.0
149.09682	5.9
149.13260	20.7
149.28740	1.8
151.11163	1.9
153.12756	4.4
155.08580	2.7
156.15329	1.8
157.06444	2.0
157.10107	12.0
159.08049	2.1
159.11671	11.1
163.11240	4.1
165.12770	5.2
169.10112	1.7
171.08052	2.0
171.11737	2.6
173.04553	1.8
173.09674	2.3
173.13194	1.7
175.11220	9.3
177.12842	7.7
181.12222	5.9
185.13327	2.2
189.05560	1.9
189.11148	2.4
191.10704	4.7
193.12253	38.0
195.11998	2.1
195.13817	9.6
209.11685	2.7
211.11284	3.8
211.13287	61.3
211.15208	3.1
213.14793	2.6
219.14090	2.1
227.12842	8.2
229.14528	1.9
232.25565	2.2
249.14934	3.1
267.15997	8.4
269.17557	13.2
273.14993	2.5
277.14182	1.9
283.15521	2.8
285.17014	5.6
321.17047	2.6
337.16656	4.4
339.18082	3.4
355.17691	10.1
360.55978	2.0
369.24512	4.6
377.19864	2.2
387.25555	4.3
393.19385	2.2
395.20865	5.1
411.20218	6.3
433.30685	1.9
443.27969	7.2
461.28860	24.2
461.34158	2.0
479.30121	16.2
569.31238	2.3
587.32410	3.6
605.33228	7.4
623.34283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92910	2.7
53.03954	14.8
55.01869	8.4
55.05517	31.0
57.03453	13.9
57.04708	2.7
58.07140	2.8
58.57497	2.5
61.02931	3.7
65.03928	3.2
67.05170	3.4
67.05515	59.4
69.03436	24.2
69.07075	16.7
69.91500	11.6
71.04987	8.1
73.02931	5.3
79.05501	51.1
81.03424	100.0
81.03905	5.3
81.07064	67.1
82.19296	2.4
83.04987	25.9
83.08622	29.3
85.02908	24.3
85.06541	3.8
85.77817	2.5
91.05486	53.6
93.07057	50.0
93.83714	2.3
95.04980	34.2
95.08611	24.3
97.02892	18.1
97.06528	9.9
97.10153	9.2
99.04456	4.8
103.05467	3.6
105.07036	30.7
107.04977	14.0
107.08605	25.5
109.02882	19.8
109.06522	5.4
109.10162	6.8
111.04444	10.8
111.08078	16.9
111.51888	2.4
113.05966	3.3
116.58993	2.5
117.07018	13.8
119.08584	24.2
121.06536	9.1
121.10126	15.3
123.04409	5.8
123.08064	7.6
123.11708	6.8
127.03905	13.1
129.07018	15.3
131.04971	2.9
131.08578	19.8
133.06508	4.7
133.10106	14.1
135.11681	8.9
137.05925	3.6
137.09680	2.6
140.00385	2.7
142.07799	2.9
143.08583	5.3
145.06488	2.8
145.10138	6.1
147.04424	5.4
147.08032	7.4
147.11681	18.8
149.09619	7.5
149.13301	14.6
152.69815	2.5
153.12723	4.6
155.08670	3.1
157.10136	14.2
159.11705	10.6
163.11177	9.6
165.12825	4.6
169.10170	3.4
171.11726	3.0
173.13242	2.8
175.11185	9.2
177.12672	3.5
183.11829	3.0
189.11227	3.8
189.12743	3.3
191.10626	5.3
193.12267	26.4
195.13890	13.4
195.51506	3.0
201.12840	2.6
211.13297	46.7
220.61560	3.0
227.12790	4.4
235.13271	3.5
249.14859	3.8
266.54596	2.9
267.16003	17.0
269.17630	12.8
277.14365	2.9
285.17075	7.4
321.16922	4.4
339.18094	8.4
355.17471	5.1
369.24326	5.9
395.20630	6.2
411.20004	5.3
443.27905	8.0
461.29108	28.1
479.30148	14.6
503.30020	3.4
545.30890	5.9
557.31024	3.3
587.31219	5.1
605.33087	10.1
623.34332	71.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99697	2.2
64.37298	1.9
69.58595	13.3
71.59055	1.9
112.62991	2.0
113.41425	2.0
181.11330	2.1
217.19385	2.3
217.21384	2.2
265.09769	2.5
312.19522	2.3
354.95950	2.2
419.18561	3.9
447.17606	3.9
457.20157	2.4
461.19302	3.1
462.20398	3.2
463.21335	2.7
476.21872	4.9
477.22745	4.7
536.24146	2.4
547.27197	2.9
550.25397	3.3
563.26660	12.6
564.26758	5.0
591.25763	6.3
594.25000	2.3
623.28528	100.0
624.29205	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31892	0.8
55.05511	1.0
55.57210	0.9
57.91836	0.9
58.17766	1.0
67.05508	0.9
69.63313	4.4
69.63727	1.4
79.05505	1.3
81.07060	2.1
93.07052	1.4
95.08600	1.4
98.21476	1.4
104.55691	1.0
105.07024	1.3
119.08589	1.1
306.53656	1.0
336.55420	1.3
364.36377	1.0
390.18420	1.6
405.20895	2.9
419.18582	1.4
420.23251	1.4
429.20987	1.6
433.20358	3.8
444.23294	1.6
445.24252	1.8
447.17880	8.7
448.22659	2.3
449.23422	2.2
459.22028	3.4
460.22330	1.2
461.19073	6.9
472.22672	1.6
473.23779	2.3
476.22070	21.2
477.22986	3.0
479.21573	1.4
485.23346	2.8
487.25171	2.8
503.24591	1.8
517.26678	1.7
519.24060	2.1
531.24084	2.8
545.25555	14.6
563.26672	8.9
605.27740	3.0
622.61456	1.8
623.28668	100.0
624.29382	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05501	0.4
81.07079	0.3
81.27061	0.3
93.07059	0.3
93.08276	0.3
95.08630	0.4
99.68888	0.3
108.87682	0.3
119.08542	0.3
209.10864	0.4
213.39346	0.3
223.12398	0.4
289.18195	0.3
373.15076	0.3
377.18262	0.4
389.17911	1.0
390.18463	0.3
391.19345	1.2
392.20020	0.4
401.17676	0.7
402.18256	0.7
403.19461	2.1
404.20200	0.7
405.21231	1.7
406.21588	0.4
407.22580	1.1
415.19205	1.1
416.20380	0.6
417.16815	1.0
417.21695	1.7
418.17523	0.7
419.17682	0.5
419.22952	3.3
420.18515	0.3
420.23477	0.7
428.16052	0.3
429.16727	0.6
429.21564	0.4
430.17926	1.3
431.17883	2.6
431.23459	0.7
432.19315	0.9
432.24118	0.5
433.20200	4.8
434.20874	0.5
435.21912	0.4
443.18112	2.0
444.19138	1.9
445.19818	3.9
446.21130	2.4
447.21838	3.5
448.22583	0.8
449.23352	0.4
457.19965	0.5
458.20990	7.4
459.21869	4.1
460.22726	4.2
461.19299	0.7
462.20477	0.5
463.21375	2.0
465.22922	0.3
471.22058	0.4
472.22540	0.4
473.23364	0.7
475.21454	0.9
476.22391	1.1
477.22937	1.2
487.24857	0.3
489.18527	0.5
491.24460	0.7
503.20856	0.6
504.25455	0.4
505.26563	0.7
517.22400	0.6
518.23132	4.3
519.24274	0.4
520.26202	0.3
521.21783	1.3
531.24261	0.7
533.25537	7.2
534.25903	0.8
535.27667	1.8
545.25537	2.2
546.26404	1.0
563.26605	4.8
565.36816	0.4
573.24744	0.6
577.28271	0.6
591.60846	0.3
605.27643	10.2
605.37646	0.5
623.28735	100.0
623.39984	6.1
624.29175	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.6
51.20670	1.2
53.03946	10.9
54.53231	1.6
55.01871	7.9
55.05516	22.5
56.65564	1.5
57.03440	9.4
65.03949	4.2
67.05510	35.5
69.03429	18.8
69.07079	5.6
69.50311	3.1
69.50723	9.4
71.01365	2.0
71.05010	8.6
77.03935	2.3
79.05499	32.9
81.03423	100.0
81.07061	37.2
83.04990	16.0
83.08620	21.5
85.02908	20.6
85.06543	4.4
91.05486	39.4
93.07052	22.4
95.04969	33.5
95.05532	2.4
95.08618	14.2
97.02891	16.6
97.06544	3.6
97.10172	7.8
97.99512	1.4
98.21464	2.7
99.04469	4.1
99.08131	1.6
103.05460	3.5
103.94613	1.5
105.07040	31.5
107.04958	14.3
107.08595	14.5
109.02883	24.4
109.06525	7.6
109.10159	7.4
111.04450	13.6
111.08099	8.6
115.05483	4.0
117.07030	10.4
119.04954	7.3
119.08580	21.1
121.06535	9.1
121.10130	10.6
123.04455	6.3
123.08102	2.9
123.11694	3.3
125.02377	4.5
125.09653	4.9
127.03923	22.3
128.06247	2.1
129.07030	12.9
131.04944	6.0
131.08577	13.4
133.06509	7.1
133.10117	15.0
135.08069	4.0
135.11707	3.9
137.06006	2.8
137.09647	3.4
141.07034	2.5
142.07802	3.9
143.08600	3.2
145.06543	5.5
145.10181	5.9
147.04420	24.4
147.08083	5.8
147.11682	15.8
149.05988	2.5
149.09669	6.2
151.11253	4.0
155.08644	2.0
157.06532	3.2
157.10152	13.4
159.08090	3.1
159.11748	3.6
161.06036	4.2
161.09708	3.1
163.07590	1.9
163.11195	7.7
165.09230	1.7
165.12820	4.6
169.10114	3.5
169.12317	3.6
170.49745	1.5
171.08136	2.1
173.04527	6.9
173.06000	2.5
173.13306	1.8
175.11192	13.2
177.12874	2.0
181.12332	3.6
183.11812	1.4
187.07578	2.1
187.13356	2.5
189.05515	2.0
189.11301	2.0
189.12836	2.3
191.10751	3.1
193.12247	39.1
199.29117	1.4
205.12236	1.7
211.13280	38.6
211.15157	2.3
217.12260	1.6
227.12857	4.0
235.13385	3.4
241.12360	2.3
255.13844	2.1
259.13461	1.7
267.15924	11.8
273.14923	7.4
283.13226	1.8
285.17059	7.3
289.14554	2.2
291.16324	1.7
301.14276	10.7
319.15421	6.7
335.61673	1.7
337.16623	4.1
337.94580	1.6
355.17661	2.2
375.18317	4.6
385.23978	4.2
393.19357	4.3
394.84592	1.5
411.20383	2.3
459.27655	6.7
477.28625	5.5
495.29889	5.0
511.27237	2.0
514.86554	1.7
557.31622	2.0
567.29907	2.1
585.30750	6.6
603.32056	8.7
621.32867	50.6
622.32776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3273
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59533	1.7
53.03946	13.2
55.01862	11.4
55.05259	1.8
55.05512	30.6
57.03437	7.6
57.07084	1.5
59.05011	1.9
65.03934	3.5
67.05166	2.7
67.05509	48.9
69.03424	19.3
69.07069	14.4
69.40968	2.8
69.41369	11.7
71.04981	7.5
71.08662	1.9
77.46963	1.6
79.05494	48.0
81.03419	91.2
81.07059	64.3
81.68317	1.6
83.01353	7.7
83.04990	26.9
83.08620	19.6
85.02909	13.0
85.06541	4.1
91.04953	3.1
91.05485	43.8
93.06450	3.7
93.07047	53.0
95.04969	14.8
95.08602	21.0
97.02897	17.5
97.06544	12.9
97.10178	5.6
99.04447	10.4
99.08117	3.4
103.05498	2.0
105.04547	2.4
105.07035	26.4
107.04956	15.7
107.08589	25.6
109.02875	16.5
109.06519	11.0
109.10152	7.1
111.04451	16.3
111.08087	6.8
112.01736	1.5
115.05444	1.7
117.07021	14.5
119.08597	17.7
121.06506	5.1
121.10165	17.2
123.04404	1.6
123.08073	9.4
123.11714	4.9
125.05974	2.0
125.09608	4.3
127.03924	16.8
129.06993	7.0
130.07817	3.4
131.08554	13.6
133.06540	1.9
133.10139	9.1
135.08098	4.6
135.11687	15.4
137.06009	2.7
141.07043	2.3
143.08565	5.3
145.06534	3.7
145.10103	12.7
147.08093	2.3
147.11682	10.0
149.06055	2.0
149.09644	4.4
149.13242	8.9
153.12730	6.2
155.08482	2.0
157.10110	3.6
159.08072	1.7
159.11731	8.0
163.11197	19.9
165.12762	3.3
171.11647	1.8
173.04468	2.5
173.09656	4.4
175.11246	2.6
177.12781	6.1
181.12260	7.5
191.10696	6.6
193.10286	1.6
193.12238	2.0
195.12155	1.9
195.13818	11.7
199.11363	1.8
209.11740	10.6
211.13193	1.8
213.14857	1.9
227.12767	10.0
233.15390	2.2
267.15860	5.0
269.17538	3.9
275.16418	2.6
283.15326	7.9
303.15948	3.2
321.16995	5.3
339.18054	11.9
340.18024	1.9
353.15948	4.7
395.20776	8.9
409.18732	3.2
459.27393	2.7
477.28494	10.9
603.31537	2.0
621.32703	100.0
622.33270	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	621.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
70.73361	1.8
85.63689	0.5
95.08633	0.5
104.94827	0.5
109.10112	0.6
110.60720	0.5
135.52884	0.6
164.99605	0.6
169.07811	0.5
207.09174	0.7
237.10141	0.7
272.94315	0.6
301.15756	0.6
310.13330	0.7
373.14331	0.7
375.16174	2.0
387.16339	0.8
388.16895	2.2
389.17737	5.7
390.18454	1.6
391.19522	1.3
401.17816	1.7
402.14249	1.1
402.18579	1.7
403.19467	7.4
404.20227	3.6
405.20905	2.3
415.19589	1.1
416.16394	1.9
417.17047	4.3
417.20969	4.2
418.21774	1.7
419.22455	10.3
429.21387	0.8
430.17599	1.5
431.18121	9.4
431.23566	1.1
432.19464	2.3
433.20288	1.8
444.19800	0.9
445.20200	8.3
446.21075	6.5
447.21838	13.7
459.17178	1.5
459.21887	3.3
460.18344	0.7
461.19705	1.2
473.19000	1.2
473.24310	1.0
474.20398	13.9
475.21265	20.8
487.21469	4.4
488.22171	1.6
501.22491	3.2
502.23425	0.9
505.26544	1.4
529.22369	0.9
533.25525	12.6
538.26788	0.7
546.22974	1.2
561.25000	87.8
562.25244	2.9
589.24554	2.4
593.27612	4.8
621.27087	100.0
622.27197	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	621.2707
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
51.94313	0.2
56.14016	0.2
67.05501	0.2
70.10898	0.2
71.34673	0.4
81.07035	0.2
105.06987	0.3
172.03873	0.3
196.09866	0.3
209.10864	0.3
211.12317	0.2
221.10730	0.3
223.12401	0.3
225.10283	0.2
231.51251	0.2
233.10487	0.2
235.12279	0.3
249.10335	0.2
282.45422	0.2
297.12683	0.3
298.13577	0.3
310.13333	0.3
313.15912	0.3
326.12476	0.2
338.12958	0.4
352.14548	0.3
372.15561	0.2
373.14700	0.8
374.15668	0.6
375.16010	1.5
376.17447	0.3
382.74350	0.2
387.16226	1.1
388.16876	1.3
389.17569	3.3
390.18643	1.6
391.19174	1.0
401.18216	1.1
402.14236	0.5
402.18967	2.0
403.15448	0.6
403.19424	5.4
404.20078	2.2
405.20773	2.9
413.17371	0.3
415.19482	1.0
416.16425	1.0
416.20908	0.4
417.16190	4.4
417.21201	2.2
418.17746	1.0
418.21725	1.0
419.22369	7.4
419.27740	0.4
420.23132	0.6
429.16669	0.4
429.21619	0.4
430.16827	1.2
431.18112	7.5
431.23605	0.7
432.19031	3.1
433.20157	2.3
435.21982	0.3
441.17108	0.2
443.18698	0.7
444.19516	1.0
445.20166	5.9
446.21033	7.6
447.21820	10.5
448.22781	0.4
456.19238	0.2
457.20474	0.3
458.21249	0.5
459.17450	0.9
459.21899	2.6
460.18610	0.7
460.23578	0.4
461.19540	1.5
463.21439	0.5
473.19550	1.2
473.24081	0.8
474.20425	6.7
475.21313	8.7
476.21826	0.3
477.23260	0.4
487.21387	3.6
488.21890	0.8
489.22653	0.3
491.21103	1.6
492.25180	0.4
493.26059	0.3
501.23108	1.9
502.24200	0.3
505.25906	1.2
506.22928	0.5
518.22955	0.7
519.20728	0.8
529.22528	0.6
531.23901	0.3
533.25519	15.0
534.26294	0.3
546.22626	0.5
561.24982	21.5
562.25250	0.4
564.23962	0.3
589.24286	0.9
593.27576	4.5
621.27075	100.0
622.27386	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	621.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
55.01868	1.2
55.05513	2.6
57.03433	0.9
57.07081	0.9
59.46432	0.5
65.03944	2.1
67.05502	11.0
69.03428	4.3
69.07070	1.6
71.04996	9.1
71.70793	0.4
73.02928	0.5
74.39478	0.5
79.05489	4.7
81.03428	9.1
81.07058	8.2
83.04990	2.7
83.08623	1.6
83.65353	0.4
85.02901	7.5
85.06541	13.0
91.05483	18.2
93.07039	5.7
95.04987	2.4
95.08624	2.0
97.02901	3.6
97.06506	1.0
97.10169	0.6
98.97572	0.7
99.04462	2.0
100.11263	1.6
100.15411	0.5
101.11597	0.4
103.05520	0.5
105.00111	0.5
105.07040	8.6
107.04990	0.7
107.08589	7.1
107.09264	0.5
109.02883	11.2
109.06541	2.3
109.10152	9.9
111.04409	2.4
111.08058	0.6
112.07587	0.5
115.60893	0.4
117.07001	0.8
119.04939	21.0
119.08588	0.9
121.06505	1.1
121.10184	2.4
123.08057	1.2
123.11703	2.1
125.02292	0.6
125.09675	0.6
126.66021	0.5
127.03920	82.1
128.04193	0.6
129.06967	0.7
131.08542	1.8
133.06497	0.8
133.10130	19.8
135.04419	0.6
135.08052	0.7
137.05975	0.8
145.04968	1.3
145.10019	0.6
147.04413	100.0
147.11716	1.0
148.04778	0.8
149.09595	1.8
149.13275	0.6
151.11188	17.2
153.01810	2.1
159.04471	0.6
159.11719	0.8
161.09601	1.1
161.62198	0.5
163.11108	0.6
165.05507	2.3
165.09097	0.9
167.07051	1.1
167.10667	1.4
169.12250	13.4
171.11684	0.5
179.10667	0.6
182.15425	1.7
187.13306	12.7
193.12222	1.1
193.50845	0.5
196.13403	0.5
210.14879	0.9
211.13309	1.6
229.14313	0.7
255.06624	0.7
259.13516	0.9
267.15677	0.7
271.08337	0.8
277.14349	1.9
282.42752	0.5
287.05496	7.6
288.05841	6.7
289.06027	5.7
291.08661	0.9
295.15390	7.9
309.09674	1.7
313.16483	1.9
326.43765	0.5
331.17426	1.8
333.17029	0.8
391.06433	0.5
459.27289	1.0
553.66589	0.5
620.47034	1.4
621.33032	3.4
621.47113	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.7
57.07059	1.8
59.69971	1.6
61.91914	1.7
65.03947	1.9
67.05506	8.0
68.91799	1.6
69.07074	8.0
79.05493	4.4
81.07067	15.1
83.08627	3.4
91.05484	15.5
93.07058	15.6
95.08615	30.1
105.07040	15.7
107.04964	20.3
107.08599	26.9
107.85157	1.5
109.10144	15.5
111.08054	1.8
113.95122	1.9
117.07009	2.3
119.04942	23.3
119.08587	25.9
121.10158	20.6
123.04417	5.4
123.11745	10.0
131.08569	5.4
133.10158	21.4
135.08141	2.3
135.11723	11.0
137.13226	2.2
143.08539	3.2
145.10127	15.0
147.04417	100.0
147.11653	14.1
149.13263	7.5
153.01837	2.8
157.10091	3.0
159.11752	10.4
161.13266	7.2
163.14845	6.1
165.05501	31.3
166.52232	2.0
171.11739	4.6
173.13280	7.3
175.14828	14.0
177.16432	12.2
187.14825	11.8
189.16360	23.1
191.17957	5.2
193.15843	2.0
199.14767	4.1
201.16376	18.8
203.17976	29.3
205.15863	6.0
207.17368	4.6
213.16354	6.5
215.17958	23.1
217.19489	2.8
219.17442	4.2
229.19556	2.2
231.17564	1.6
235.16930	4.1
247.16954	8.3
249.18674	2.5
261.18457	14.1
267.20944	2.2
301.21924	2.1
382.20151	2.6
391.33536	7.9
394.28812	2.3
407.33170	5.5
409.34622	7.7
411.32520	6.6
435.32687	4.8
437.34164	27.3
452.21786	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13782	6.9
55.05516	12.9
56.67396	5.5
57.07064	6.4
66.79744	6.4
67.05507	17.3
69.07046	6.8
71.62200	8.3
79.05476	15.0
81.07059	27.0
91.05489	17.0
93.07048	18.3
95.04968	7.5
95.08625	34.6
105.07003	19.0
107.04948	7.7
107.08604	22.2
109.10149	11.5
117.07008	5.9
119.04961	30.7
119.08588	15.8
121.10137	17.6
131.08612	10.5
133.10150	12.6
145.10085	11.0
147.04402	100.0
147.11665	8.7
149.13298	8.2
153.01849	37.8
157.10194	5.9
161.13318	6.6
165.05495	17.5
171.11743	8.3
189.16440	10.6
194.32732	7.2
203.17984	15.4
205.15939	10.2
222.28140	5.8
249.18459	7.4
254.50470	7.6
391.46426	6.8
488.22836	6.5
619.38739	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	619.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67641	0.6
55.05515	4.3
57.07076	2.3
59.83498	0.7
65.03928	1.3
65.33571	0.5
66.35608	0.6
67.05510	5.9
68.10713	0.7
69.07064	7.3
79.05508	3.0
81.07056	13.0
83.08629	6.3
87.04472	9.9
88.04816	1.7
91.05481	15.5
93.07048	11.7
95.04994	1.6
95.08605	22.4
95.09224	1.1
97.10176	1.0
105.07031	14.0
107.08599	19.2
109.06474	0.7
109.10165	12.5
110.21912	0.6
117.07056	1.3
119.04093	1.2
119.04948	24.6
119.08586	28.3
121.06519	0.8
121.10145	16.3
121.11018	1.1
123.04494	1.2
123.11713	7.3
129.06990	1.0
131.08592	4.6
133.10141	15.8
133.11168	0.9
135.11693	10.5
137.13242	2.3
143.08580	2.2
145.10133	10.9
147.04417	100.0
147.11685	14.5
147.12767	1.0
149.09520	0.7
149.13258	5.9
150.78740	0.6
151.14873	0.9
153.01767	1.4
153.09143	1.3
157.10164	1.9
158.10974	0.8
159.11700	9.5
161.13254	9.1
163.14832	7.4
165.05486	28.3
171.11694	2.4
173.13292	5.4
175.14824	12.0
177.16394	11.6
183.11703	0.8
185.13333	0.7
187.14847	4.9
189.16386	24.1
191.17970	4.3
199.14810	2.6
201.16399	21.2
203.17972	28.3
205.15892	2.3
205.19550	1.1
207.17467	4.7
213.16391	5.9
215.17963	15.2
217.19530	2.8
219.17444	1.2
221.15463	0.7
225.16539	1.0
227.17900	1.1
229.19560	3.5
231.17342	1.1
235.16951	2.8
239.17719	0.8
241.19514	3.1
243.21132	2.6
247.16957	3.5
249.18524	1.7
253.19554	1.2
255.21037	2.6
257.22861	0.9
259.16895	1.9
261.18542	5.7
267.21136	2.3
269.22684	1.4
287.20108	1.4
304.97931	0.6
334.09079	0.7
342.48795	0.7
365.32013	0.7
391.33524	7.5
409.34662	9.3
411.32550	4.8
437.34164	27.1
446.64297	0.7
619.42810	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	619.3993
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
52.65218	1.4
55.05507	5.4
57.07080	1.7
57.12339	1.3
59.89175	1.2
67.05499	5.7
69.07067	6.2
71.10681	2.9
79.05505	4.1
81.07053	15.6
83.08627	6.9
87.04475	2.5
91.05484	16.8
91.90333	1.5
93.07038	11.0
95.08607	25.5
105.07039	20.9
106.07348	1.6
107.08595	16.4
109.10154	13.5
119.04949	22.8
119.08578	22.0
121.10159	16.6
123.11700	8.6
128.73225	1.4
131.08565	5.0
133.10141	19.5
135.11699	12.9
137.13286	2.1
143.08545	3.1
145.10170	9.0
147.04410	100.0
147.11671	12.0
149.13278	8.1
149.14317	1.4
153.09032	1.6
157.10144	2.9
159.11681	9.3
161.13274	8.8
163.14854	5.3
165.05473	29.4
171.11711	2.0
173.13280	4.8
175.14870	10.4
177.09125	2.6
177.16380	12.7
187.14841	5.1
189.16408	18.5
191.17975	5.2
194.70135	1.2
197.13313	1.6
199.14778	1.3
201.16364	14.5
203.17970	26.2
203.19724	2.2
205.15831	4.4
205.19536	1.2
207.17421	4.0
213.16371	4.1
215.17934	16.6
217.15858	1.4
217.19576	2.6
219.17441	1.4
221.15385	1.5
229.19516	2.2
235.16927	2.8
241.19556	1.6
243.20937	1.7
247.16989	7.7
249.18665	1.4
253.19724	1.9
261.18533	12.6
289.21729	1.6
295.24243	2.0
299.20029	1.7
313.25510	1.5
391.33655	6.2
409.34583	6.2
411.32578	5.9
437.34161	28.0
527.29236	1.6
619.43732	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	619.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41451	4.2
55.05511	4.9
57.07076	13.8
61.16582	4.1
67.05483	8.2
69.07058	6.7
69.38600	20.4
69.39001	8.2
76.99023	3.6
79.05499	7.3
81.07062	16.2
83.08612	11.4
87.04472	100.0
88.04813	13.4
91.05496	16.1
93.07064	13.1
95.08617	24.1
98.21505	9.1
105.07037	17.3
107.08595	18.3
109.10170	18.4
119.04933	21.7
119.08605	18.9
121.06551	6.1
121.10176	12.5
123.11720	7.4
131.08606	5.6
133.10155	16.1
145.10217	8.0
146.09232	4.1
147.04422	70.7
147.11678	10.8
149.13272	9.1
153.01831	7.8
159.11694	6.5
159.25444	4.3
161.13254	7.5
163.14868	5.4
165.05498	10.7
175.14856	11.6
177.16415	7.0
185.13210	3.8
189.16393	16.7
201.16353	10.0
203.18010	21.1
205.15781	5.2
213.16391	5.4
215.17976	17.0
247.17053	7.6
261.18430	7.7
326.49707	5.6
391.33344	6.4
409.34668	4.9
437.34293	25.9
619.42969	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	0.4
51.02382	0.9
51.82199	0.1
53.00302	0.1
53.03947	0.3
55.01850	0.2
56.18447	0.1
69.03416	0.3
70.06601	0.1
71.61251	0.1
79.01854	6.5
81.03414	1.2
93.54031	0.1
97.02894	1.2
100.07639	0.2
100.83688	0.1
101.44655	0.1
106.51933	0.1
107.01323	1.3
109.02882	1.5
123.00790	0.2
124.11217	0.3
125.02354	2.9
127.03917	1.4
131.04921	0.1
140.10593	0.1
143.03403	7.4
153.01833	100.0
153.02873	5.6
154.02161	0.7
158.11823	0.1
163.03891	0.1
181.01340	0.2
187.03925	0.1
191.03445	0.1
205.04944	0.3
213.03915	0.2
215.03397	0.1
217.05023	0.1
219.98221	0.1
233.04462	0.5
237.03812	0.2
261.03964	0.4
279.05005	0.6
297.06082	0.3
388.26071	0.1
449.07080	0.9
457.21637	0.3
466.87283	0.1
540.14758	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	619.3993
Annotation	Tabernaebovine
Peak:m/z	Relative Intensity
50.36994	2.2
54.02675	2.5
55.05500	6.8
57.07069	3.6
59.34653	2.4
66.79202	2.5
67.05495	8.6
69.07046	8.0
70.85265	3.4
70.85599	4.8
73.77679	2.4
78.48979	2.6
79.05487	7.4
81.07050	17.7
83.08595	6.4
91.05473	18.4
93.07029	14.1
95.08601	35.2
105.07049	15.9
107.08582	23.1
109.10134	11.8
119.04957	28.8
119.08611	14.6
121.10127	18.9
123.11684	7.5
131.08562	8.8
133.10143	13.2
135.11687	14.9
137.13251	5.2
145.10097	9.8
146.46123	2.7
147.04408	100.0
147.11670	9.7
149.13219	13.7
153.01860	4.7
157.10123	4.3
159.11687	7.6
161.13301	8.4
163.14786	5.0
165.05467	26.6
171.11646	3.3
173.13206	5.7
175.14838	9.0
177.16393	18.7
185.13202	3.3
187.14821	8.6
189.16356	15.7
191.17986	4.9
199.14919	5.2
201.16388	20.2
203.17990	26.7
207.17375	4.2
213.16327	7.1
215.17963	9.2
217.19429	2.8
241.19620	6.4
259.16962	6.2
391.33765	7.6
401.09845	3.1
409.34616	10.1
411.32465	6.0
437.34128	23.6
437.62250	2.5
604.82141	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	619.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01586	0.4
51.02379	0.8
55.01861	0.2
60.77705	0.1
69.03429	0.2
70.75671	0.4
78.06712	0.1
79.01857	6.2
81.03410	0.4
87.00819	0.2
97.02887	1.2
97.58318	0.1
107.01322	1.4
109.02868	0.3
123.00784	0.3
125.02351	2.9
127.03928	1.6
143.03403	7.6
153.01831	100.0
153.02873	5.6
154.02171	0.5
163.03847	0.2
186.42853	0.1
192.22484	0.2
205.04976	0.2
217.05205	0.2
233.04448	0.5
261.03973	0.5
279.05173	0.8
297.05981	0.3
305.02988	0.3
449.07190	1.1
456.93265	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	8.1
55.01880	5.2
55.05513	46.2
56.96564	4.1
57.07064	4.9
65.03938	7.1
67.05519	32.4
68.02773	3.4
69.03432	9.1
69.07085	16.6
71.04989	8.2
71.62497	6.7
79.05508	36.2
81.07058	49.7
83.04994	20.2
83.08624	55.0
85.06535	9.0
87.04462	5.1
91.05487	57.1
93.07050	59.2
95.04960	36.2
95.08597	39.1
95.85063	3.2
97.06539	18.8
97.10152	3.7
99.04462	4.5
100.44478	4.0
104.10752	27.8
105.07034	100.0
107.04961	6.9
107.08596	80.9
109.06538	18.2
109.10152	31.9
111.08066	11.4
111.56538	3.3
113.09606	9.1
115.05458	6.9
117.07008	21.9
119.04945	8.0
119.08585	73.6
121.06516	13.2
121.10147	57.4
123.08067	18.4
123.11699	11.9
125.09652	16.9
128.06181	11.5
129.06996	19.2
130.07741	9.2
131.08577	44.3
132.09312	4.6
133.10135	48.6
135.08052	11.3
135.11688	10.8
137.09697	6.3
139.11168	14.1
141.06966	11.6
142.07762	24.5
143.08583	45.8
144.09306	11.4
145.06435	7.9
145.10133	82.2
147.04391	32.4
147.08060	13.1
147.11671	20.4
148.04767	10.0
149.09593	16.3
149.13274	7.0
153.01808	14.7
153.09120	5.8
154.07777	4.2
155.08554	15.3
155.10666	11.9
156.09386	19.0
157.10147	57.9
158.10883	8.2
159.08090	20.9
159.11705	32.7
160.08855	8.1
161.09621	13.4
161.13283	8.5
162.41695	3.4
163.11137	7.0
165.07060	7.6
167.08530	8.3
167.10663	20.0
168.09335	6.2
169.10129	28.7
170.10893	12.7
171.11653	30.9
173.09592	15.6
173.13206	18.7
175.11194	8.4
175.14806	5.4
179.08502	11.5
180.09225	4.7
181.10194	18.7
181.12213	25.3
182.10904	12.2
183.11714	24.6
184.12047	4.8
185.09558	7.0
185.13275	17.4
187.11238	7.5
187.14877	10.2
189.12787	4.1
189.16220	3.7
191.14339	8.2
192.09369	3.8
193.10114	10.8
194.10912	12.0
195.11674	24.5
195.13434	4.1
196.12460	11.0
197.13298	39.4
198.14029	4.5
198.96829	4.3
199.11278	4.9
199.14870	11.4
201.16428	6.0
203.14342	8.6
206.10974	6.3
207.11670	15.6
207.13673	6.6
208.12451	12.2
208.14471	6.6
209.13336	22.1
209.15050	4.1
210.13902	5.5
211.11111	5.4
211.14847	24.8
212.15633	4.9
213.12726	7.2
213.16418	9.4
215.14336	16.1
219.11736	7.0
220.12497	5.4
221.13315	11.5
221.15369	20.5
223.14748	9.3
225.12714	5.8
225.14691	8.0
227.14493	6.6
231.11639	5.3
233.13275	8.8
233.15352	41.4
234.13965	4.2
235.14824	16.7
237.16351	12.2
239.17947	5.8
243.11649	4.7
245.13123	6.7
246.16199	4.9
247.14806	9.7
247.17026	6.1
249.16371	6.2
251.17947	6.4
255.17435	31.2
259.14822	4.4
261.16385	8.1
263.18002	7.9
265.19647	5.0
267.17279	5.0
269.19019	8.6
270.19635	7.4
271.20584	7.6
273.18579	5.8
275.18005	8.8
281.19083	5.3
282.19867	7.6
286.19308	7.1
295.20572	4.2
298.19412	3.9
307.20645	5.1
311.20084	4.9
319.20001	4.3
347.23566	6.7
349.25473	4.8
361.24957	5.1
365.24866	7.3
367.26349	5.8
383.25754	11.1
436.32932	10.5
540.03699	4.0
558.28894	4.9
600.41846	7.1
618.17999	6.7
618.42102	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	617.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92877	3.3
53.50732	3.1
55.01882	3.7
55.05515	42.7
57.07068	11.6
59.05011	3.7
65.03929	4.7
67.05506	24.6
68.23778	3.2
69.03420	9.3
69.07070	6.3
70.79610	3.9
71.04981	5.4
79.05499	21.7
81.07056	27.5
82.52232	3.3
83.04976	10.8
83.08628	50.2
85.06536	5.0
87.04472	5.5
88.66673	3.1
91.05495	24.1
93.07062	40.8
95.04975	8.1
95.08617	28.7
97.06530	11.9
105.07035	48.1
107.08611	39.9
109.06530	15.6
109.10178	22.0
111.08125	6.3
113.09659	9.5
115.05394	5.0
117.07036	9.7
119.08589	45.9
121.06512	6.5
121.10107	25.1
123.08117	22.1
125.06073	3.5
125.09597	16.2
129.06969	8.5
130.07790	3.3
131.08556	29.0
133.10139	28.8
135.08066	11.0
135.11703	8.2
137.09624	17.3
139.11191	6.1
141.07047	4.5
142.07756	10.9
143.08595	18.3
145.10118	31.5
147.08046	18.1
147.11707	10.6
149.09557	3.4
151.07562	24.1
153.12752	3.8
155.08563	9.2
155.10670	9.4
156.09361	7.6
157.10172	23.5
157.48666	3.5
159.08098	5.2
159.11710	23.1
161.09659	8.2
161.13254	7.7
163.11205	10.2
165.06989	4.5
165.09111	42.0
167.08594	6.0
169.10115	9.5
171.11671	14.5
173.09612	4.7
173.13234	8.1
175.11235	4.8
181.10101	4.0
181.10812	4.1
181.12236	24.3
183.11670	12.1
185.13255	5.9
187.11209	4.9
187.14838	3.7
189.12753	7.0
193.10274	4.0
194.10828	6.6
195.11713	10.9
197.13208	16.0
203.14348	14.2
207.11852	5.3
207.13855	12.4
209.13286	11.8
209.15239	4.6
211.14815	7.3
221.13455	4.7
221.15376	100.0
221.17569	5.6
222.15656	4.9
223.14801	14.0
233.15320	5.9
247.17014	6.4
271.16983	4.0
286.19281	4.5
287.20099	12.3
299.20007	12.8
300.20779	4.8
311.14511	3.8
313.21802	4.1
354.24908	3.7
365.24976	3.9
391.26379	6.9
417.63095	3.6
419.29617	3.4
431.29425	4.8
525.35889	4.0
574.39722	3.9
599.40869	13.7
617.18073	4.3
617.41907	47.9
617.51215	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	617.4014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01775	0.5
55.05504	1.7
57.03453	0.6
57.07064	0.8
67.05515	4.7
69.03426	0.6
69.07063	1.1
70.99913	1.2
79.05479	2.7
81.07056	5.7
83.04980	0.8
83.08608	1.6
85.06532	0.6
91.05486	2.5
93.07050	4.0
95.04977	1.0
95.08618	4.3
97.06508	0.7
105.07050	3.2
106.07339	0.5
107.08604	2.9
109.06497	0.7
109.10184	1.2
114.83667	0.6
117.07007	0.7
119.08575	3.3
120.08876	0.9
121.10142	2.1
123.08044	1.2
123.11709	0.9
125.09621	0.5
131.08592	1.5
133.10115	2.0
134.10442	0.7
135.08076	0.7
135.11722	0.6
143.08569	1.1
145.10158	1.5
147.11661	1.0
149.09660	0.7
151.07565	1.3
157.10188	0.9
158.07727	0.5
159.11679	0.5
163.11215	0.7
165.09103	1.2
169.10115	0.5
171.11720	0.7
173.13338	0.7
175.14769	0.6
181.10062	0.7
183.11880	0.9
197.13239	0.6
203.14349	0.8
207.14009	0.5
212.65308	0.5
221.15343	3.3
261.83450	0.6
270.40659	0.6
283.15158	11.7
283.17996	0.7
320.21881	0.5
335.14740	0.5
335.26187	0.7
339.17764	4.8
347.49408	0.5
381.10129	0.5
442.54422	0.5
463.65427	0.5
617.40240	100.0
618.40668	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
57.07063	0.6
59.04969	0.7
66.63341	0.5
67.05504	3.9
69.07072	1.2
70.75738	0.6
70.76077	1.3
71.04980	0.7
75.55256	0.4
79.05487	2.0
79.36322	0.5
81.07064	4.0
83.04990	0.8
83.08622	0.9
85.06513	0.8
91.05480	2.5
93.07056	4.1
95.04996	0.8
95.08589	3.2
97.06583	0.6
105.07029	2.6
107.08583	2.2
109.06548	0.6
109.10168	2.0
117.06957	1.1
119.08572	2.8
121.10130	2.0
123.08098	1.0
124.08404	0.6
125.09742	0.5
131.08568	2.1
133.10120	1.4
135.08002	0.7
135.11688	1.0
145.10107	1.1
147.08076	0.9
147.11736	1.3
149.09599	0.8
151.07552	1.4
157.10173	0.9
159.11658	0.9
165.09210	0.7
173.13240	0.7
197.13277	0.8
203.14418	0.8
221.15385	2.0
222.15707	0.9
225.94211	0.6
276.24408	0.5
283.15167	15.0
299.20251	0.6
335.25809	0.8
339.17734	6.7
355.83115	0.6
617.40210	100.0
618.25128	0.6
618.40747	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	6.5
56.96554	1.4
65.03929	3.8
67.05504	7.7
69.07069	9.7
69.44758	11.9
77.42762	1.4
79.05489	5.4
81.07062	12.2
83.05000	2.1
83.08610	5.0
85.06545	2.1
89.06028	9.3
91.05476	17.2
93.07049	15.3
95.04956	2.8
95.08600	22.1
97.06549	1.5
98.21468	2.9
98.97637	1.6
103.05484	2.3
105.07032	30.1
106.07378	3.3
107.08601	26.3
109.10167	7.4
117.07036	3.1
119.04105	1.4
119.04950	28.0
119.08576	24.3
121.10149	15.9
123.04379	1.7
123.08102	2.5
123.11698	5.3
129.06999	2.4
131.08588	7.5
133.08591	3.0
133.10139	16.4
135.11684	8.2
142.07739	1.8
143.08551	6.1
145.10135	24.8
147.04416	100.0
147.11681	9.7
148.04645	1.5
149.09645	2.0
149.13251	12.6
153.01816	5.4
155.08665	1.9
156.09349	3.1
157.10109	7.1
159.11696	13.5
161.13246	5.6
163.11128	2.8
163.14813	3.0
165.05482	25.9
165.09172	2.8
167.10704	1.9
169.10149	3.8
171.11684	9.1
173.13292	6.7
175.14796	10.6
177.09123	2.1
177.16362	5.6
181.12265	2.4
183.11717	4.0
185.13339	4.2
187.14822	11.6
189.16405	11.4
191.18063	2.1
197.13243	2.3
199.14801	5.7
201.16371	21.7
203.17993	2.6
205.15852	9.4
209.13280	2.1
211.14880	3.1
213.16376	5.3
215.17960	4.9
219.17470	4.9
221.15384	3.5
225.16391	2.7
227.17892	3.6
229.15854	2.2
237.16335	1.7
239.18089	2.5
241.19466	4.0
247.16982	5.4
250.13135	1.9
265.19656	1.5
267.21091	1.7
277.03342	1.4
293.22781	2.2
340.24228	1.8
353.24756	1.6
389.32062	17.8
393.51923	1.6
406.22537	5.7
407.33185	15.1
409.30927	5.5
435.32584	33.8
453.33484	4.5
477.25864	1.8
478.26880	6.8
498.14636	3.5
499.14890	4.3
558.16223	7.1
582.32837	3.9
617.17218	13.2
617.42584	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
53.12229	0.7
55.05506	2.8
56.96572	0.9
57.07066	1.1
62.28134	0.7
65.03939	1.9
65.43614	0.7
67.05505	4.5
69.07067	2.8
71.62025	1.4
79.05476	3.8
81.07063	8.1
83.04987	4.5
83.08627	1.9
85.06499	0.8
91.04952	1.4
91.05483	19.5
93.07033	8.0
95.04971	2.2
95.08605	9.5
97.10212	0.8
105.07021	8.3
107.04933	2.3
107.08585	10.8
109.06445	0.9
109.10156	6.8
117.07005	1.9
119.04086	1.6
119.04949	31.9
119.08582	14.9
121.06515	0.8
121.10156	7.6
123.04451	1.6
123.08066	1.0
123.11693	2.1
125.09669	1.9
129.06989	1.6
131.08574	5.6
133.10139	9.5
135.11710	4.4
137.09676	1.1
137.13298	0.9
142.07837	0.9
143.08559	2.8
145.10133	10.2
147.04417	100.0
147.11690	6.3
149.13304	4.0
153.01878	3.4
157.10170	2.6
159.11722	8.3
161.13264	5.4
163.11235	1.0
163.14861	2.3
165.05489	5.3
171.11723	2.9
173.13292	5.5
175.14844	4.8
177.12901	1.0
177.16408	3.9
185.13310	1.5
187.14827	11.2
189.16368	7.1
191.17940	2.5
197.13322	1.1
199.14839	3.0
201.16406	9.6
203.17953	3.6
205.15915	2.7
211.14952	1.1
213.16370	3.4
215.14265	0.9
215.17955	6.4
217.15872	1.7
219.17461	2.4
221.15634	0.9
225.16422	1.2
227.18051	2.1
229.19447	1.2
233.15417	0.9
233.19051	1.2
235.17081	1.0
239.17928	1.3
241.19482	2.1
243.21272	0.8
247.17047	2.3
251.17883	0.8
253.19397	1.3
261.18549	3.3
267.21201	0.9
277.03516	1.0
278.64047	0.8
349.29016	0.9
389.32071	3.1
395.29520	2.2
397.08704	1.0
407.33026	6.5
418.80975	0.9
425.34573	1.0
429.39130	0.8
435.32748	6.4
453.33713	5.3
469.11017	0.9
498.14828	1.2
499.14984	2.2
507.65485	0.8
525.71509	0.8
558.17023	4.5
617.17114	5.4
617.36206	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	617.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
60.74880	1.0
70.75465	3.1
73.47412	1.0
74.40930	0.9
81.07054	1.3
89.14882	1.1
91.05486	1.9
120.07980	1.0
122.06006	2.4
124.07587	9.7
134.06030	2.5
135.08070	1.1
136.07585	18.2
146.05978	6.1
148.07579	4.9
150.09135	2.0
152.07056	2.7
153.01765	2.3
162.05453	2.1
164.07071	22.3
166.08659	6.2
167.07155	1.0
172.03905	3.7
174.05536	4.7
176.07068	15.7
180.11940	1.0
190.05048	1.5
200.23134	1.1
204.06567	5.5
206.08153	2.5
206.60493	0.9
208.09732	3.4
210.11496	3.0
211.12332	2.4
221.10799	1.5
222.11423	1.1
223.12209	2.3
224.09355	1.6
224.13051	1.3
225.10146	3.3
225.13902	1.2
227.11668	1.7
229.13354	1.1
234.87981	1.0
235.08655	1.2
235.12260	3.5
236.13005	1.4
237.10191	7.8
237.13837	2.6
238.10950	12.4
239.11792	18.6
245.12744	2.1
248.09396	3.1
249.10245	5.3
250.11063	4.0
251.11842	9.4
252.12514	2.4
253.13451	3.2
262.10919	1.6
263.11765	16.8
264.08981	1.8
264.12601	2.9
265.09735	9.4
265.13318	19.7
266.10550	2.3
267.11292	2.9
269.12857	4.7
271.14404	7.6
275.11835	1.7
276.12683	1.0
277.09766	2.8
277.13312	3.4
278.10495	4.5
279.11273	100.0
280.11963	8.8
281.12830	4.8
282.13446	1.6
283.11136	1.1
283.14386	3.4
285.12283	2.3
287.05508	1.4
287.13849	4.9
291.11206	5.1
292.11859	1.5
293.12799	7.0
294.13385	1.2
295.10669	2.2
295.14316	3.2
296.11673	2.2
297.12329	64.9
298.13095	6.3
299.13974	2.0
309.12320	43.3
310.09872	1.6
310.13138	17.4
311.13965	8.4
315.13339	2.9
319.10843	3.2
321.12296	9.1
322.13275	1.1
324.11047	1.4
325.11914	2.9
329.15048	1.5
337.11816	42.2
338.12573	16.0
339.13388	63.4
340.13849	2.1
369.14438	43.3
370.15155	10.1
371.16019	68.0
372.16431	1.8
400.16705	2.4
418.17249	1.3
422.20596	3.1
434.20859	1.3
442.17563	4.2
450.20026	1.2
460.18686	27.1
461.19009	2.4
462.20270	30.0
463.20691	3.8
464.21872	5.5
492.21088	2.3
493.21072	1.2
494.22852	87.1
495.23343	5.4
562.26447	1.1
567.26166	2.3
585.27075	65.5
586.26935	2.1
617.29474	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	617.3837
Annotation	(+)-Kopsoffine
Peak:m/z	Relative Intensity
52.61349	1.9
55.05496	7.7
57.07069	4.0
60.58298	1.9
63.00426	1.8
67.05504	9.8
69.07077	7.2
79.05493	8.3
81.07067	13.4
83.04993	4.1
83.08620	8.6
87.04488	5.2
89.06053	4.5
91.05478	18.3
93.07059	16.9
95.04970	3.7
95.08614	23.5
97.06499	2.0
98.20702	4.9
103.05475	4.1
105.07041	43.9
106.07374	2.3
107.08588	25.3
109.06530	4.0
109.10162	8.9
111.08054	2.9
119.04952	23.9
119.08591	20.9
121.10157	16.4
123.11658	4.3
125.05961	3.5
130.72145	2.0
131.08574	8.0
133.10162	13.9
135.08073	2.8
135.11726	6.8
137.13234	3.0
143.08644	3.8
145.10152	21.6
147.04422	100.0
147.11717	7.0
149.09554	2.5
149.13277	12.6
153.01775	3.6
155.08479	2.5
157.10141	8.8
159.11734	12.8
161.13292	5.3
163.11139	2.6
163.14841	5.7
165.05505	28.0
169.10049	2.7
171.11681	9.4
173.13242	7.9
175.14832	9.9
177.16406	6.3
179.89763	2.1
181.10065	3.0
181.12186	3.7
183.11623	2.7
187.14830	10.6
189.16411	10.9
195.21376	2.2
199.14882	3.4
201.16443	15.9
205.15869	7.2
211.14787	2.7
213.16382	3.7
215.18030	3.3
217.15729	2.3
219.17476	4.3
225.16348	2.7
227.17961	3.2
233.15411	3.0
239.17892	3.0
241.19490	5.6
247.16983	4.9
253.19502	3.4
261.18533	2.8
267.21097	3.5
299.20093	5.0
389.32007	13.7
407.33160	12.7
409.31085	3.6
435.32690	32.7
477.10822	2.5
528.67053	2.6
558.16144	3.7
617.17773	9.7
617.40009	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	617.2968
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62984	0.8
51.02381	0.8
53.03943	1.4
53.69675	0.8
55.01870	1.3
55.05508	2.0
56.96568	0.8
57.03431	1.0
57.07054	0.7
66.41927	0.7
67.01859	4.4
67.05503	11.7
69.03439	6.4
69.07050	2.6
71.04991	1.8
79.05476	3.1
81.03401	1.9
81.07067	5.8
83.04960	2.3
85.02916	1.9
85.06514	1.1
90.69364	0.7
91.05483	11.9
93.05766	0.8
93.07050	2.9
94.06583	0.9
95.04968	12.7
95.08614	7.3
96.08129	1.0
97.02895	1.1
97.06515	0.7
98.20695	1.7
103.05462	1.0
105.07028	3.6
106.06551	2.5
106.07257	0.8
107.04980	1.0
107.08588	3.0
108.08121	1.1
109.02884	3.0
109.06513	1.6
109.10151	3.7
114.10217	0.7
116.06255	2.1
117.07026	2.5
119.04934	1.2
119.08591	15.8
120.08048	1.1
121.06477	1.0
121.10138	3.4
122.06027	3.2
123.08058	3.3
123.11703	1.6
124.07588	18.4
127.03886	1.4
129.07013	2.2
131.04848	1.0
131.08534	4.0
133.10101	3.2
134.06024	2.4
135.08076	1.3
135.11687	0.9
136.07570	16.3
137.05984	0.9
137.09618	4.7
141.07040	0.8
143.08534	1.2
144.04465	1.3
145.10117	1.6
146.05992	8.4
146.09616	1.2
147.08047	48.6
147.11717	2.0
148.07555	7.8
149.09613	10.8
150.09096	1.3
152.07057	3.2
153.01811	5.0
154.05080	0.8
156.09415	1.3
159.08037	1.0
161.09604	1.8
161.13284	1.9
162.05489	1.1
162.09111	0.9
163.11128	1.3
164.07065	15.9
165.12743	1.2
166.08636	11.5
171.11659	3.0
172.03979	5.4
174.05551	4.1
174.10472	1.6
175.07556	11.6
175.14793	1.1
176.07069	17.6
177.81714	0.8
185.13223	1.4
187.11145	1.0
189.12732	9.8
190.04973	1.9
194.09673	0.8
197.10614	0.8
203.14400	1.6
204.06589	6.6
206.08119	1.1
207.13799	16.9
208.09602	1.6
209.10800	1.0
210.11494	2.6
211.12361	2.2
213.12723	1.9
218.08133	0.9
221.10703	1.3
222.11380	1.3
223.12317	3.1
224.09348	1.4
224.13091	1.5
225.10262	4.1
225.13968	0.9
227.11780	1.8
231.13805	36.1
235.08606	1.4
235.12326	3.2
236.12970	1.7
237.10167	7.7
237.13968	2.4
238.10966	13.0
239.11758	12.0
241.09729	1.3
245.12886	1.5
248.09447	2.8
249.10268	5.5
249.14894	6.7
250.11003	3.2
251.11804	9.7
252.12399	1.4
253.10001	0.8
253.13319	3.5
254.10461	1.0
255.11113	1.1
262.11084	1.2
263.11761	13.4
264.08804	2.4
264.12607	4.2
265.09760	7.9
265.13361	23.3
266.10526	0.9
266.14191	1.2
267.11295	3.2
269.12726	3.7
271.05963	0.9
271.14359	15.5
275.11798	1.6
277.03436	1.3
277.09836	4.2
277.13345	3.5
278.10559	3.2
279.11276	100.0
280.12064	8.2
281.12714	3.6
282.13718	1.7
283.10782	2.3
283.14291	1.8
284.11508	1.3
285.12341	1.9
287.05411	1.9
287.13809	3.8
289.15335	2.0
291.11200	4.8
292.12088	1.3
293.12805	7.6
294.13495	1.4
295.10754	3.0
295.14444	1.9
296.11670	2.9
297.12335	63.4
298.13077	7.1
299.13791	2.3
303.11682	1.0
309.12329	38.5
310.13083	16.4
311.13782	5.4
315.13434	1.7
319.10843	3.6
321.12372	9.5
323.10309	1.1
324.11075	1.6
325.11710	3.4
329.14926	2.2
337.11823	50.4
338.12598	18.4
339.13388	62.9
340.14114	3.1
369.14487	18.6
370.15451	3.9
371.16006	41.9
375.18063	2.3
385.14111	0.9
392.19562	1.1
393.19077	2.3
400.16467	2.8
401.17368	1.6
420.19348	1.3
421.19684	1.5
422.20541	4.1
434.20602	1.2
442.17398	3.0
449.19327	1.8
450.20096	2.4
460.18643	50.2
461.19220	3.5
462.20224	42.8
463.20908	4.1
464.21844	8.8
480.20972	1.0
492.21158	1.5
494.22882	37.1
495.23187	2.0
567.25671	2.3
585.27057	51.5
586.26935	1.1
617.28833	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	617.297
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25904	0.4
67.05476	0.6
67.83248	0.4
69.25424	3.2
69.25833	1.1
73.24061	0.4
79.05464	0.8
79.86073	0.4
91.05454	0.5
93.06979	0.5
93.96418	0.5
94.06535	0.6
98.21427	0.9
106.06512	1.2
108.08096	0.8
120.08089	0.6
122.05989	1.6
124.07590	7.4
134.06026	2.0
136.07579	13.4
146.06015	6.6
146.09616	0.5
148.07568	6.9
150.09132	1.3
152.07059	3.3
153.01714	0.4
162.05499	0.5
162.09164	0.6
164.07072	12.4
166.08655	2.8
172.03964	1.1
173.04712	0.5
174.05502	2.7
174.09123	0.6
176.07069	19.2
190.04971	1.6
192.06424	0.9
201.06631	0.4
204.06477	0.8
208.09656	0.6
209.10770	0.7
210.11441	1.5
211.12317	1.6
212.13165	0.5
221.10699	1.4
222.11389	0.6
223.12285	2.0
224.09285	1.1
224.13095	1.2
225.10313	2.1
226.10878	0.8
227.11880	1.1
229.13377	0.7
235.08496	0.7
235.12283	2.0
236.13020	1.6
237.10132	6.5
237.13826	0.9
238.10974	11.5
239.09410	0.6
239.11786	8.8
245.12823	1.5
246.47720	0.4
248.09375	0.7
249.10237	2.2
250.11012	1.4
251.11823	7.2
252.12538	1.6
253.13339	2.1
255.11224	1.5
261.10330	0.8
262.11020	0.6
263.09201	0.7
263.11795	4.6
264.08942	1.3
264.12540	1.0
265.09723	3.1
265.13361	10.2
266.10498	1.3
266.14230	0.6
267.11273	4.0
268.12088	0.6
269.12766	2.6
271.11240	0.9
271.14426	9.2
275.11823	1.4
277.09781	2.6
277.13382	3.4
278.10474	2.6
279.11282	100.0
280.11975	7.9
281.12802	2.8
283.10794	2.6
283.14417	1.9
284.11349	1.2
285.12311	1.3
287.13876	2.2
289.15387	0.7
291.11279	1.6
292.11926	0.9
293.12772	4.4
294.13571	0.9
295.10782	1.6
295.14444	2.2
296.11713	1.9
297.12335	47.8
298.13120	5.2
299.13779	1.1
303.11169	0.5
309.12335	15.3
310.13071	8.5
311.13858	4.0
315.13412	1.6
319.10861	1.5
321.12338	10.5
322.13342	1.2
323.10138	0.6
324.11050	1.9
325.11823	3.0
337.11841	22.9
338.12582	10.2
339.13406	79.8
340.14005	3.3
360.16968	0.7
369.14575	1.6
371.16037	10.7
388.16550	0.6
392.19553	0.5
400.16660	2.9
401.17227	0.9
402.18018	1.0
422.20828	3.0
424.16364	0.7
434.21011	1.0
442.17636	3.8
448.18539	0.9
449.19550	0.9
450.20172	1.7
460.18683	30.6
461.19354	3.3
462.20245	30.8
463.21045	3.9
464.21857	5.6
494.22903	2.8
567.26178	2.3
585.27081	89.7
586.27454	3.1
617.29620	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	617.0771
Annotation	Phyllanemblinin A
Peak:m/z	Relative Intensity
50.01601	0.4
50.19161	0.1
51.02377	1.0
52.34383	0.1
53.03939	0.3
55.01867	0.4
69.03434	0.9
69.91461	0.3
69.91860	0.7
79.01857	6.5
81.03416	1.1
85.02892	0.2
87.00832	0.2
89.27866	0.1
90.40704	0.1
97.02902	2.0
97.70635	0.1
98.20796	0.2
99.04439	0.4
103.05470	0.3
103.90710	0.1
107.01315	1.3
109.02872	1.4
117.22535	0.1
119.04951	0.2
120.84021	0.2
123.00806	0.5
124.11251	0.2
125.02355	3.4
127.03922	4.0
131.04930	0.3
143.03397	7.1
145.04965	0.6
147.04390	0.3
149.33064	0.1
151.03876	0.2
153.01834	100.0
153.02869	5.6
154.02173	0.5
157.02873	0.3
163.03900	0.3
171.02946	0.3
173.02380	0.3
175.03938	0.5
179.03363	0.4
185.02390	0.3
187.03912	1.1
191.03374	0.5
195.02876	0.3
201.01845	0.5
203.03374	0.9
205.05005	0.5
207.02876	0.3
213.01863	1.0
213.03572	0.2
215.03412	0.9
219.02846	0.4
229.01352	0.6
231.02882	4.5
233.04367	0.8
237.04106	0.2
241.01299	0.8
247.02419	1.0
257.00760	0.9
259.02393	7.1
261.04019	0.7
275.01871	2.3
276.02643	0.6
277.03439	21.1
279.04987	0.4
285.00345	0.7
285.03412	0.1
297.06140	0.5
302.00623	0.3
303.01352	11.8
321.02365	0.3
361.68054	0.2
363.03564	0.2
385.05508	0.3
411.03171	0.2
429.04608	0.2
447.05557	0.4
503.91345	0.2
617.07233	0.5
623.79889	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.0776
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01595	0.7
50.35532	0.5
51.02376	1.0
53.03940	0.5
61.62657	0.4
69.03436	6.9
70.05544	1.8
79.01860	7.2
81.03426	4.7
83.42687	0.4
85.02912	1.1
91.05499	0.5
97.02887	2.9
98.21528	0.5
99.04436	0.5
99.67865	0.4
103.05488	1.0
107.01332	1.7
109.02898	3.5
124.11230	1.0
125.02344	4.9
127.03934	5.2
131.04939	1.0
143.03400	7.9
147.04405	1.0
151.78503	0.4
153.01836	100.0
153.02898	6.0
154.02139	1.0
157.02864	1.0
163.03899	0.8
169.86516	0.5
171.02867	0.5
173.02161	0.4
175.03914	1.3
179.03426	0.5
185.02373	1.0
187.03889	3.5
191.03413	1.4
201.01888	0.9
203.03436	1.9
205.04922	0.7
207.02908	0.7
213.01816	2.7
215.03362	2.6
219.03003	0.6
222.25351	0.4
229.01346	1.9
231.02892	14.2
233.04588	0.7
237.04016	1.4
241.01338	2.4
247.02423	1.9
249.43465	0.5
257.00754	0.6
259.02383	22.8
261.03940	1.1
275.01837	1.9
276.02646	1.1
277.03442	87.6
278.03781	1.0
285.00363	1.0
297.06079	1.0
303.01352	19.5
321.02493	1.0
363.03534	1.2
447.05725	0.7
481.67944	0.5
617.08038	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	616.177
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.9
67.05503	1.1
69.03444	1.2
71.62672	0.7
73.31735	0.6
79.05499	0.7
81.03459	0.9
81.07048	1.3
85.32856	0.7
93.07065	1.0
97.02928	0.9
105.07065	2.1
109.10188	1.3
119.08673	0.9
122.97159	0.7
125.06033	0.8
131.08591	0.9
147.11633	0.8
151.07585	0.8
153.01834	1.3
171.29921	0.7
231.99931	0.8
260.48224	0.8
289.02753	0.7
331.91391	0.7
346.03955	1.3
454.22293	1.1
468.10297	2.9
470.12329	1.2
471.13141	0.8
481.11023	0.8
482.12027	4.3
483.12604	9.1
496.13614	1.2
497.14279	22.3
498.15054	37.7
543.15076	0.8
557.16364	57.3
558.17072	2.0
593.33081	0.9
616.17712	100.0
617.18567	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	617.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.6
50.35550	0.3
51.02382	1.1
51.45578	0.2
53.03946	1.5
55.01873	0.4
57.03450	0.2
61.93950	0.2
66.12867	0.3
67.47782	0.2
69.03432	7.1
69.81200	1.1
70.06593	0.9
71.04980	1.6
73.02952	0.3
76.40645	0.3
77.44318	0.3
79.01859	8.2
79.05505	0.3
81.03420	11.6
83.71294	0.2
85.02905	1.0
86.06064	0.3
86.09711	0.3
90.64137	0.3
91.05476	0.7
93.03388	0.3
93.07119	0.2
97.02898	5.2
97.41805	0.2
99.04460	1.9
103.05470	1.0
107.01324	2.6
107.05000	0.3
109.02885	7.3
116.25272	0.2
119.04972	0.5
121.06529	0.4
123.00761	0.4
124.11224	0.7
125.02351	4.0
127.03927	5.1
129.03346	0.5
131.04929	0.8
142.17142	0.2
143.03403	9.0
147.04422	1.1
149.06012	0.7
153.01833	100.0
153.02917	6.9
154.02202	0.7
157.02847	0.9
159.04390	0.5
161.05959	0.5
163.03937	0.6
171.02902	1.5
173.02415	0.4
175.03915	1.8
177.05446	0.4
185.02361	1.1
187.03928	3.2
189.01794	0.3
191.03368	0.9
193.08536	0.4
195.03023	0.3
199.03831	0.3
201.01872	1.1
203.03389	2.8
205.04872	0.3
207.02924	0.4
209.08037	1.4
210.08386	0.3
213.01837	2.8
215.03383	3.3
219.02863	0.7
229.01297	1.1
230.02184	0.5
231.02887	13.6
233.04497	0.4
237.03992	0.6
241.01320	2.9
245.04639	0.3
247.02388	1.6
257.00839	1.3
258.01553	0.3
259.02383	25.2
260.03006	0.5
260.42529	0.2
261.03973	0.6
275.01865	2.5
276.02609	3.1
277.03436	77.0
278.03812	0.6
285.00305	1.0
297.06052	2.4
303.01355	22.8
315.07043	0.4
321.02490	1.2
356.24161	0.3
363.03607	0.6
429.04688	0.3
437.74698	0.3
447.05084	0.7
485.60193	0.3
617.07831	2.8
617.31165	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.4
55.01892	1.8
55.05511	28.2
57.03439	8.3
57.07076	8.2
65.03935	4.8
67.05508	67.9
68.85986	1.7
69.07069	29.0
69.34686	11.2
69.35083	2.4
71.04990	2.6
71.08638	2.8
75.15134	1.3
79.05492	36.4
81.07058	73.3
83.04999	2.0
83.08617	15.7
85.06542	2.3
85.10188	2.4
89.06030	3.7
91.05480	28.2
93.07047	47.9
95.04992	4.2
95.08607	54.9
97.06524	3.6
97.10146	7.9
98.21432	3.5
99.08071	1.7
105.07030	29.9
107.08598	27.8
109.10159	27.4
111.08079	3.3
111.11750	1.9
117.07007	8.4
119.08577	27.7
121.10152	26.1
123.11705	7.7
125.09615	1.9
129.07016	5.2
131.08562	17.4
133.08607	1.6
133.10138	22.3
135.11679	18.1
137.13289	4.2
141.06903	1.7
143.08589	5.0
145.10114	12.6
147.11699	18.1
149.09688	1.6
149.13278	10.5
150.83336	1.7
151.07564	1.6
151.14842	2.6
157.10172	4.4
159.11711	12.2
161.13280	9.2
163.14859	4.7
169.23224	1.6
171.11713	4.4
173.13242	9.3
175.14879	4.2
177.16455	3.2
183.11768	1.7
185.13290	3.7
187.14851	4.1
189.16620	3.3
191.17911	1.8
198.08025	1.3
199.14928	4.1
201.16306	3.0
203.18112	1.5
205.19568	2.2
219.21262	1.8
231.21161	2.1
243.21201	2.3
257.18964	1.9
259.20566	5.7
261.22147	11.4
275.23816	1.8
285.22253	1.8
317.24875	3.1
319.26550	1.5
335.25665	8.6
337.27335	12.2
339.29105	4.6
371.33395	2.1
474.28107	2.0
523.45148	5.7
541.46088	2.7
566.91925	1.7
583.54468	1.7
597.48627	10.9
615.49817	100.0
616.49792	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	615.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
54.57485	1.8
55.05508	22.7
55.26857	2.1
57.03436	6.8
57.07073	9.2
59.46334	2.3
65.03941	2.0
67.05506	59.9
68.03458	2.1
69.07070	25.7
71.04993	2.6
71.08632	4.0
74.44637	1.8
79.05494	36.2
81.07055	66.0
83.05009	3.6
83.08618	17.9
89.06052	4.7
91.05476	19.7
93.07047	37.8
95.04969	2.4
95.08611	51.3
97.06521	3.4
97.10172	7.0
99.08070	2.7
105.07034	23.3
107.08593	27.8
109.10162	23.0
111.11686	2.2
117.07037	6.4
119.08597	24.7
121.10143	19.6
123.11725	9.0
125.09624	3.7
129.06972	2.5
131.08569	17.7
132.78290	2.1
133.08652	2.4
133.10120	17.3
135.11717	14.6
137.13292	3.6
143.08630	2.7
145.10104	14.8
147.11691	15.0
149.13300	11.1
157.10114	5.1
159.11729	8.1
161.13266	8.3
163.14870	4.9
171.11707	6.1
173.13322	6.0
175.14885	6.1
179.55080	2.2
185.13348	3.3
187.14906	5.5
189.16418	4.6
201.16177	2.9
203.18010	2.5
215.18054	3.6
237.66956	2.0
243.21198	2.5
248.77553	2.1
259.20691	4.8
261.22223	9.0
266.38080	1.9
304.95767	2.2
333.24432	4.9
335.25803	9.3
337.27289	11.2
339.28918	3.3
523.45172	6.4
541.46234	2.5
597.40045	2.5
597.48431	13.1
615.49835	100.0
643.64032	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	615.4409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.0
55.05502	13.3
57.07078	11.1
59.05002	14.4
65.03943	2.8
67.05507	24.1
69.03435	6.4
69.07073	12.8
70.17027	1.9
70.17355	7.6
71.05000	2.6
73.06557	4.4
79.05504	18.3
81.07058	32.0
83.04987	4.9
83.08624	5.1
85.06544	24.3
86.48230	2.0
89.06037	6.6
89.60851	1.8
91.05482	42.5
93.07047	56.1
93.07616	3.8
95.04977	13.6
95.08611	43.9
95.94321	1.8
97.06541	5.5
97.10135	2.5
99.08112	4.0
103.05463	2.6
105.07030	57.7
107.04935	3.0
107.08601	38.3
109.06519	8.7
109.10156	20.8
111.08118	6.3
115.05456	3.3
117.07034	11.5
119.08582	77.1
121.06533	7.9
121.10140	32.1
122.07313	2.7
123.08065	39.2
123.11726	8.2
125.05994	3.7
125.09652	14.4
128.06271	8.2
129.07019	8.2
130.07764	3.5
131.08575	31.4
133.06549	3.8
133.08623	3.9
133.10138	53.8
135.08035	11.4
135.11697	21.7
137.05988	2.7
137.09608	15.1
137.27797	1.8
139.11201	2.8
141.07069	3.2
142.07755	11.9
143.08574	19.0
144.09343	4.9
145.10124	37.1
147.08083	16.9
147.11674	16.8
148.10963	1.9
149.09648	9.5
149.13271	4.0
151.07556	39.5
151.11188	15.3
155.08553	9.9
156.09355	9.1
157.10146	25.1
158.10892	3.3
159.08029	2.7
159.11708	24.7
161.09648	11.9
161.13242	9.8
163.11211	10.7
163.14938	2.4
165.07028	3.1
165.09142	34.5
167.08586	5.3
169.10126	10.0
170.10934	4.1
171.11702	16.4
172.08884	2.2
172.12436	2.3
173.09656	3.9
173.13278	18.2
175.11240	6.8
175.14801	18.7
177.09128	2.4
177.12744	3.6
179.08649	3.8
179.10739	4.4
179.14383	2.4
181.10184	6.8
181.12242	10.3
182.10980	4.7
183.11678	12.7
185.13275	10.6
187.11156	4.4
187.14886	8.1
189.12721	13.4
191.14368	8.1
192.09456	2.3
193.10193	5.9
193.12206	4.0
194.10948	4.6
195.11716	10.8
196.12408	2.6
197.13268	14.6
199.11206	3.9
199.14894	5.8
201.12785	5.6
201.16499	3.0
203.14377	16.7
206.10997	3.1
207.11760	6.6
207.13879	17.6
209.13319	13.1
209.15323	3.9
211.11531	2.9
211.13081	9.4
211.14954	5.5
213.12859	2.5
219.17485	2.2
221.13341	4.9
221.15358	89.8
222.13991	2.4
223.14893	4.6
223.16988	11.7
225.16417	5.6
229.15985	3.6
231.17494	2.3
233.13303	4.4
233.15437	3.4
235.14873	7.9
237.16521	3.9
247.17047	4.0
249.16451	4.8
249.18674	3.4
251.16425	4.2
261.16452	4.0
263.17999	3.3
265.19562	2.4
267.17514	2.6
269.19098	3.8
275.17865	2.6
281.18942	2.5
283.20709	3.9
286.19312	3.8
286.63251	2.0
287.20145	3.8
297.22061	2.3
299.20163	6.4
301.21725	4.8
311.20200	2.3
313.21585	2.4
375.26996	4.8
403.30484	4.1
435.32828	2.6
491.35327	10.8
565.40454	4.5
583.41608	21.9
597.42847	12.6
615.44135	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.1
55.01870	3.2
55.05506	16.9
57.07073	13.9
59.05006	19.6
62.10999	3.3
65.03938	3.4
67.05511	29.7
69.03438	5.5
69.07067	11.8
74.95581	3.0
79.05493	22.4
81.07057	37.6
83.04981	12.7
83.08618	8.8
85.06551	27.1
89.06017	5.9
91.05483	45.5
93.07050	47.4
94.82246	3.2
95.04973	13.8
95.08616	39.8
97.06537	11.8
105.07035	59.2
107.08598	42.1
109.06522	10.4
109.10149	19.8
111.08091	9.0
117.07009	15.5
119.08583	80.2
121.06521	6.0
121.10154	36.5
123.08073	35.0
123.11732	5.1
125.06007	18.2
125.09663	17.6
128.06252	4.6
129.07036	10.6
130.07770	5.9
131.08559	30.3
133.06517	4.9
133.08607	7.2
133.10139	51.4
135.08083	18.1
135.11700	17.4
137.05991	4.3
137.09628	18.3
139.11147	3.2
141.06993	5.4
142.07803	14.5
143.08585	16.8
145.10124	46.4
147.08049	18.7
147.11662	18.2
149.09598	10.4
149.13190	6.5
151.07574	31.6
151.11217	9.5
153.09192	4.7
155.08546	6.1
156.09361	10.9
157.10139	27.8
158.10931	5.6
159.08067	5.6
159.11674	22.2
161.09570	15.2
161.13290	10.5
163.11195	30.8
165.09123	41.6
168.09363	6.5
169.10164	11.9
170.10950	6.1
171.11714	18.4
173.09583	5.0
173.13295	16.7
175.11160	9.1
175.14882	19.0
177.12794	5.1
179.14337	5.9
180.09386	3.7
181.10150	4.8
181.10580	5.0
181.12234	36.7
182.10919	5.4
183.11708	13.2
185.13249	10.8
187.14906	9.7
189.12776	8.6
191.14273	8.8
192.09448	3.2
193.10126	7.6
193.11800	3.9
194.10974	4.2
195.11722	10.9
197.13341	10.4
199.14874	7.5
201.12694	3.7
201.16336	6.9
203.14336	15.9
207.11765	6.3
207.13678	19.0
208.12286	5.2
209.13264	11.4
211.13193	6.3
211.14984	5.6
215.14424	4.0
219.17812	3.3
221.13419	5.6
221.15372	94.3
223.14937	6.9
223.16943	9.5
225.16380	5.1
233.15347	7.2
235.14809	10.4
247.14832	4.2
251.16388	7.3
263.17987	4.3
285.22134	4.5
286.19290	9.4
287.20245	7.8
299.20108	6.4
301.21564	3.6
348.69562	3.4
360.90350	3.4
375.26804	6.5
477.87219	3.7
491.35321	5.8
583.41748	25.7
597.42932	8.0
615.44287	100.0
616.17902	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	615.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25487	1.8
53.03947	3.8
55.01863	4.3
55.05507	13.5
57.03422	4.2
57.07076	4.7
59.04999	1.8
61.02925	4.7
65.03912	2.4
67.05508	23.0
67.10042	1.7
69.03423	17.7
69.07068	21.4
71.02013	1.7
71.05000	2.6
73.02895	1.8
79.05489	14.3
81.03441	9.4
81.03854	1.8
81.07061	51.0
83.04981	19.0
83.08622	14.7
84.65640	1.9
85.02902	30.4
87.04454	2.6
91.05471	27.8
93.07045	51.9
95.04977	8.3
95.08607	67.2
97.02906	17.2
97.06545	4.6
97.10159	4.5
97.84319	1.9
99.04440	3.8
103.05459	4.1
105.07035	56.4
107.08597	71.3
109.02886	4.7
109.06528	7.7
109.10154	46.0
111.08076	5.3
115.05492	3.3
117.07022	11.8
119.05028	1.8
119.08579	91.4
121.10142	53.6
123.08083	4.6
123.11708	18.7
124.07568	1.8
125.09651	10.5
127.03928	8.9
129.07040	6.1
130.07808	1.9
131.04921	2.1
131.08565	32.4
133.10135	56.7
135.08029	2.4
135.11690	26.8
137.05994	2.9
137.09644	8.9
137.13240	3.7
139.11206	2.4
141.07021	2.6
143.08578	24.4
144.09370	2.0
144.88660	2.0
145.04993	3.1
145.06520	2.3
145.10127	62.7
147.11687	29.9
149.06107	2.2
149.09671	5.2
149.13257	16.6
151.03917	3.0
151.11226	7.3
153.05472	2.4
153.09119	4.7
155.08583	4.0
157.10152	16.0
158.10928	3.0
159.07985	2.6
159.11691	52.1
159.13005	3.1
160.12509	2.5
161.09637	3.4
161.13252	24.7
161.27621	1.9
163.11263	6.0
163.14828	13.4
165.09145	2.6
165.12860	3.7
167.07127	3.3
169.10202	2.5
171.11607	10.0
172.12573	2.1
173.13258	31.0
175.07565	2.0
175.14801	28.6
177.09158	5.8
177.16383	20.2
179.10869	2.3
181.05031	3.2
183.11743	5.5
185.13258	10.5
187.14821	69.4
189.09091	2.3
189.16382	64.1
191.07057	4.2
191.14299	19.4
191.15938	1.9
191.16498	2.7
191.17934	18.0
193.15915	4.4
197.13300	5.6
199.14813	16.6
199.22186	1.9
201.16394	70.0
201.18214	4.2
203.17998	15.8
205.15877	9.7
207.17529	5.6
211.14868	4.2
213.16380	43.0
213.18314	3.0
215.17957	55.8
217.16019	11.2
217.19565	14.7
219.17445	44.1
225.16507	5.6
227.18066	6.5
231.17538	8.0
231.21188	3.1
233.15437	2.5
233.19122	8.1
235.16910	29.4
239.18121	5.2
241.19510	11.8
243.21121	7.1
245.22723	4.1
247.16895	15.3
253.19571	3.5
255.21085	10.1
261.18488	26.4
266.69339	2.0
267.21033	16.4
269.22818	2.0
271.06055	3.2
281.22543	3.4
289.21765	2.6
295.58514	2.0
297.12442	4.7
301.21735	2.8
315.13898	2.0
319.24167	2.2
333.25720	4.4
351.26984	6.3
353.24921	3.0
355.26343	2.2
389.32074	16.7
407.27664	4.7
407.33102	100.0
408.33337	2.8
409.15051	2.7
409.34705	7.9
435.32486	21.1
453.33670	22.7
458.17291	4.7
583.25952	4.0
615.27979	69.0
615.38715	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	615.359
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08619	4.8
69.03431	12.0
69.49846	4.8
71.13969	11.5
74.38971	4.3
79.01878	6.0
81.03412	20.8
91.05466	5.7
97.02856	5.6
109.02818	7.8
124.11286	8.8
125.02322	7.1
125.09644	11.6
143.03381	12.7
147.04431	12.4
149.05878	5.4
153.00694	8.3
153.01836	100.0
153.02922	6.5
289.06085	7.0
445.03937	10.8
615.26508	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	615.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
58.90687	0.7
65.69479	0.6
67.05490	0.8
68.05027	0.8
68.61451	0.7
69.07058	0.8
71.62088	1.3
74.63446	0.6
79.05486	1.5
81.07066	1.3
90.93194	0.7
91.05469	1.4
96.08139	1.4
105.07046	1.3
106.06579	1.0
115.05180	0.7
122.06017	2.1
124.07593	28.2
131.08629	0.9
134.06032	1.8
141.20689	0.6
144.04449	1.3
146.06020	9.7
147.06862	0.9
148.07596	1.7
153.01886	0.8
156.39703	0.7
159.09280	0.7
162.05496	1.5
172.03961	7.8
172.07645	1.0
173.04738	2.9
174.05501	10.1
176.07076	5.7
182.09724	1.2
187.70015	0.7
190.05020	1.6
191.05782	2.3
192.06660	0.8
197.10751	1.2
199.12399	1.4
204.06583	13.4
206.08218	5.0
210.09206	1.0
211.08742	1.9
211.12462	1.0
212.09508	1.8
213.10181	0.9
217.85799	0.6
221.11174	0.7
223.08650	1.2
224.09479	0.9
225.10251	4.4
226.10986	0.8
227.11800	12.0
237.10210	1.7
238.11015	1.6
239.11850	3.1
241.09770	1.6
241.13379	1.2
245.12907	1.5
249.10437	1.2
251.11841	3.1
253.09764	2.4
255.11336	1.5
263.08197	0.9
265.09763	2.6
267.11517	1.0
269.12885	13.9
271.10895	4.4
271.14447	3.1
279.11221	1.9
283.10831	8.6
284.11469	5.0
285.12317	2.8
287.13928	23.1
289.13361	0.8
295.10764	1.8
297.12347	25.3
301.12256	2.7
302.12897	1.8
312.15152	1.1
314.13055	2.0
315.13397	7.6
316.14548	5.1
323.10385	2.0
326.16702	1.2
328.14621	2.5
329.11594	1.9
329.15152	7.4
330.12460	1.9
330.16095	5.4
331.16852	6.1
339.13672	1.2
342.12375	5.3
342.16119	0.8
343.13275	2.9
344.13977	1.4
344.17642	5.9
354.16159	1.4
355.13510	1.0
356.13867	4.1
357.15204	2.4
358.15497	7.5
370.11588	1.6
370.15665	2.7
371.16562	1.0
372.17038	3.8
374.18747	0.9
382.11752	4.0
383.12924	1.1
384.13385	10.2
384.17300	0.6
385.14322	3.2
386.14505	4.4
386.18933	1.9
388.16635	1.2
390.18176	4.6
397.15155	0.8
398.09946	1.0
398.14948	11.2
399.15796	22.1
400.16571	32.2
402.14294	1.7
412.16592	1.6
414.18213	5.8
415.18997	1.5
416.16031	2.9
417.16885	5.5
418.17584	7.6
422.15210	0.7
430.17838	2.5
431.18591	1.8
440.16315	2.7
441.16782	1.1
442.18106	1.3
444.15619	2.6
458.17090	29.2
459.17841	17.8
460.18842	3.3
490.19824	5.7
491.20514	2.2
539.26752	1.1
541.24475	3.3
565.24530	6.0
583.25555	100.0
584.26154	1.3
615.28235	2.2
641.50952	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05509	2.0
67.44798	1.3
68.05025	2.4
71.61646	2.0
79.05485	4.2
81.03450	2.1
81.07051	4.2
87.85545	1.5
91.05477	2.8
93.07014	1.9
95.08633	1.6
96.08154	2.4
105.07034	3.0
107.08600	2.6
109.10198	1.6
119.08582	3.3
121.10179	1.9
122.06050	2.2
123.11782	1.6
124.06689	2.8
124.07597	47.0
131.08582	1.8
134.06012	3.0
135.11665	1.5
144.04442	2.6
145.10139	1.5
146.06015	12.7
148.07535	2.0
150.30885	1.6
153.01816	2.5
167.07149	2.3
172.03941	14.9
173.04744	2.8
174.05530	13.2
176.07074	5.2
186.09192	2.5
191.05745	2.7
197.10837	1.5
199.08553	1.5
199.12241	3.1
204.06566	25.9
206.08081	8.1
210.09146	1.9
213.10190	1.6
222.11345	1.7
225.10152	3.8
226.11011	2.0
227.11786	18.0
228.98126	1.8
238.10947	2.3
239.11859	2.5
241.13193	1.5
249.10120	1.7
251.11729	3.3
253.09657	2.7
253.13406	1.7
255.11261	1.9
265.09625	3.3
267.11325	2.6
269.12857	18.3
271.10739	4.8
271.14435	4.6
277.09439	1.6
277.41016	1.6
279.11319	2.5
283.10666	7.8
284.11609	5.7
285.12402	3.0
287.13916	41.5
297.12360	33.0
301.12128	4.2
314.12695	2.0
315.13425	13.6
316.14435	4.4
323.10132	1.8
328.14542	3.7
329.11557	2.7
329.14951	16.7
330.12253	4.7
330.16080	5.6
331.16714	6.3
342.12564	5.1
344.17566	5.2
356.14053	4.2
357.14511	2.6
358.15634	7.4
370.11441	2.2
370.15616	3.6
372.17188	4.1
382.11737	2.4
383.12411	1.9
384.13455	7.0
385.14023	3.4
386.14874	4.6
390.18076	5.3
398.15018	17.0
399.15811	23.1
400.16547	30.0
402.14197	2.2
404.34604	1.6
412.16464	1.7
414.18268	4.3
416.16046	2.1
417.16919	7.8
418.17422	8.1
430.17529	3.5
440.15997	5.5
444.15341	1.9
453.29562	2.1
458.17111	30.5
459.17853	18.1
460.18799	5.3
490.19534	4.8
491.19986	3.1
537.25323	1.6
541.24133	2.5
547.23932	1.8
565.24188	6.1
583.25531	100.0
584.25250	2.2
595.54504	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
54.42237	0.6
54.87503	0.6
55.01872	4.3
55.05507	1.0
56.96564	0.9
61.77341	0.7
65.03945	9.8
67.05489	3.1
68.34224	0.6
69.03414	1.7
69.07069	0.9
71.01340	0.8
71.61710	1.1
79.05478	1.7
81.03401	2.0
81.07047	3.0
82.04204	1.5
83.24996	0.6
85.02888	2.1
91.05490	4.6
93.03414	3.5
93.07055	2.2
95.01315	1.1
95.04964	2.6
95.08596	3.1
97.02894	1.1
97.06551	1.1
103.05466	4.7
105.07035	2.8
107.04939	3.3
107.08617	1.3
108.02106	0.9
109.02888	1.0
109.06515	1.3
109.10165	1.3
110.03667	8.1
111.04456	7.6
115.05472	1.1
117.07024	1.3
119.04939	3.1
119.08572	0.8
121.02888	6.4
121.06517	2.0
121.10123	1.1
123.04441	2.0
123.08073	1.7
125.05997	9.0
127.03973	4.1
127.04826	0.7
128.06285	0.7
129.07004	1.6
131.04950	5.9
131.08621	1.4
133.02898	1.5
133.06490	2.3
133.10132	0.9
135.04436	1.2
135.08052	1.2
137.05971	7.2
137.09584	1.3
138.03142	1.1
138.43404	0.8
141.06921	1.3
145.06479	2.3
147.04454	3.4
147.08083	1.1
148.05168	1.9
149.02344	2.7
149.05980	2.0
151.03932	1.5
151.07565	3.1
153.01840	2.2
153.02986	0.6
153.05470	18.7
154.05894	0.9
155.07089	1.3
157.06537	1.5
161.05969	4.2
161.09605	1.3
162.06731	0.8
163.07553	5.5
165.05476	4.0
165.07025	1.9
165.09105	0.9
167.07054	4.8
167.08473	1.3
171.06522	1.4
173.06073	0.7
174.06842	0.8
175.07565	2.9
177.05475	3.3
177.06831	0.8
179.07057	0.9
179.08481	1.0
180.07774	0.8
181.04974	22.9
181.06409	1.2
181.08568	1.4
182.07272	1.1
187.07567	0.9
189.09088	2.7
191.07054	18.2
191.08751	1.4
193.04959	1.6
193.08621	1.2
195.08038	1.9
197.05978	1.4
197.09631	0.9
203.08542	0.7
206.07291	1.3
207.06500	2.2
207.08191	1.2
208.07320	1.7
209.06354	1.0
209.08040	4.7
210.06799	1.5
211.07617	1.5
212.08276	1.0
219.08258	0.8
219.10191	1.6
221.06042	1.1
221.07878	1.3
221.09656	2.5
223.07588	3.0
224.08177	0.8
225.05603	1.3
225.07262	4.1
225.09244	2.0
226.06026	0.7
226.08270	1.0
227.07068	3.0
227.10655	1.5
234.06725	1.0
235.07521	1.2
237.05556	0.9
237.09090	2.0
238.06253	1.8
238.09891	2.0
239.07042	2.5
239.10797	1.1
240.07846	7.0
241.08502	1.9
248.08264	0.8
249.08990	1.4
249.11195	2.0
250.09955	0.7
251.07072	2.3
251.10768	1.0
252.07816	2.1
253.08591	12.6
253.12221	4.3
254.09377	1.9
255.06599	2.3
255.10089	5.0
257.08041	1.5
265.08527	1.4
266.05893	0.7
266.09363	2.3
267.06558	1.3
267.10233	3.0
268.07309	2.1
269.08121	2.8
270.08939	1.7
271.05948	1.6
272.10306	0.8
277.08548	1.8
278.09372	1.3
279.06610	1.1
279.10248	0.8
281.08072	3.6
281.11267	3.7
282.08887	2.2
283.06662	1.0
283.09671	7.0
283.12860	1.2
284.10318	3.7
285.07471	0.9
285.11124	2.9
285.14777	1.7
287.05652	1.6
295.09671	3.4
297.11136	2.0
298.08609	0.8
298.11987	1.8
299.12842	5.4
309.11127	6.2
310.12045	0.9
311.12695	0.9
312.10117	1.2
313.10745	7.5
313.14346	3.1
316.13312	1.0
325.10703	0.9
326.11304	0.9
327.12277	25.8
328.13010	1.4
329.10220	1.0
329.13733	1.6
331.15457	1.8
339.12369	1.8
341.13831	3.0
357.13306	1.5
359.14899	100.0
360.15390	1.4
371.14877	5.9
371.22064	1.1
372.15808	1.6
389.15976	4.8
411.14304	0.8
418.16312	1.1
474.16574	0.9
503.16858	2.2
535.19653	1.0
615.21033	4.0
615.33356	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	615.244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	6.0
56.96550	2.2
60.38623	1.6
65.03946	10.9
67.05498	4.5
69.03426	5.3
70.06579	3.3
71.22353	2.9
71.99671	1.7
79.05481	4.9
79.50207	1.7
81.03402	4.3
81.07030	1.8
82.04205	3.8
85.02910	6.1
85.97686	1.7
91.05464	9.5
93.03390	6.4
93.07014	2.7
95.01332	2.2
95.04964	8.3
97.02876	3.2
97.06544	2.7
103.05459	5.4
105.03365	2.9
105.07050	4.5
107.01312	3.9
107.04954	8.2
109.02869	3.4
109.06471	3.9
110.03675	8.5
110.09686	4.1
111.04462	13.9
115.05455	4.5
117.06980	3.3
119.04935	6.1
121.02845	7.5
121.06475	5.4
122.03641	2.2
123.04420	8.1
124.11201	4.3
125.06014	13.2
125.87186	1.8
127.03893	6.9
128.06212	3.1
129.07005	15.1
131.04889	9.9
131.08511	2.7
133.02827	4.1
133.06496	4.7
135.04466	3.6
137.05984	26.3
138.09189	2.2
139.03903	5.8
140.73058	1.8
141.06955	2.9
143.08650	2.1
145.06473	6.0
147.04408	9.7
148.05118	2.7
149.02322	3.2
149.05989	4.6
151.03938	14.3
151.07553	8.1
153.01869	14.0
153.05469	31.3
154.02432	2.4
157.05388	2.2
157.06456	11.6
158.07240	2.3
159.08066	3.2
161.06000	7.7
161.09642	3.1
163.03879	2.5
163.07515	6.6
165.05452	3.2
165.09172	2.8
166.08614	5.5
167.07040	15.3
173.05983	4.4
174.06766	12.0
175.07570	14.0
177.05467	6.6
179.07004	6.8
181.04982	45.8
181.06447	3.1
181.08507	2.6
183.06664	2.3
184.05249	2.2
187.07544	7.9
188.08257	4.3
189.05487	2.7
189.09096	22.4
191.06985	4.4
191.08533	4.2
193.04965	3.0
193.08437	2.3
197.05995	3.4
201.09117	2.4
202.06282	2.3
205.06517	2.4
205.08540	4.3
206.07253	4.1
207.06454	4.1
207.10123	2.1
209.08041	9.8
210.06834	2.9
211.07494	3.4
213.08949	2.0
217.06627	3.6
217.08554	14.2
218.07214	5.3
219.08014	6.2
219.10176	11.3
221.06052	3.9
221.08083	7.4
221.09976	2.5
223.07489	3.7
223.11325	1.9
225.07524	8.5
227.07065	3.8
227.10713	2.1
228.06703	2.4
232.08888	2.1
233.09650	5.4
235.07460	6.1
235.09668	6.8
237.09088	4.0
238.06389	4.6
238.09776	2.7
239.06963	5.9
240.07785	4.1
241.08545	3.1
243.14975	2.6
249.09085	7.6
251.07030	4.2
251.10692	5.7
252.07809	4.4
253.08632	17.4
253.12184	5.8
257.08075	2.9
261.09030	4.8
263.06915	2.4
263.10651	2.8
265.08624	6.4
266.09454	4.3
267.10001	4.2
269.08032	3.9
276.07755	2.4
277.08600	10.6
278.09406	3.8
279.06534	2.5
279.10120	5.3
281.08322	2.3
281.11734	7.9
283.09598	6.9
285.11237	4.5
285.14835	2.2
288.08636	4.5
289.08536	3.1
291.10321	3.0
293.08054	3.5
295.09583	5.9
296.10559	3.8
297.11182	4.6
298.11884	3.2
299.12833	5.1
300.09653	2.4
307.09714	4.5
309.11081	10.1
311.09320	2.3
311.12695	6.0
313.10703	9.1
313.14307	4.8
321.11209	3.1
327.12238	30.8
329.10135	2.7
329.13824	30.7
331.15436	2.2
339.12253	15.5
341.13766	6.4
343.15344	3.7
351.12076	3.0
353.13943	2.1
357.13333	17.1
359.14914	100.0
360.15335	3.4
371.14880	46.4
375.57721	2.2
383.14844	5.2
389.16080	12.5
411.14084	9.4
443.17062	9.7
503.16721	2.5
535.19501	2.7
615.24701	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	615.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15200	0.3
53.03948	0.7
55.01865	0.6
59.96697	0.4
69.03435	0.5
69.49686	1.5
69.50109	1.1
73.28536	0.3
81.03415	1.3
85.02895	1.6
86.83295	0.4
91.05468	1.9
93.07021	0.5
95.04992	0.4
97.02857	0.7
98.20679	0.6
103.03948	0.6
103.05470	1.2
107.04951	1.1
109.02869	1.1
111.37464	0.3
115.05430	0.4
117.03384	1.0
119.04943	0.6
121.06513	1.7
122.03625	1.1
125.02522	0.3
127.03916	100.0
131.04907	0.9
133.02852	2.5
135.04396	0.4
137.05983	21.7
137.96744	0.4
141.06961	0.7
143.04886	0.7
145.02818	2.1
145.06540	0.4
147.04440	1.3
148.04878	0.4
149.06004	2.7
150.06705	0.4
151.03960	0.7
151.07565	0.8
153.01830	0.8
157.06583	0.5
159.04291	0.3
160.05164	0.6
161.05986	7.3
163.07562	1.3
165.05598	0.4
165.07019	0.7
167.07030	0.3
169.06500	0.8
175.07512	2.1
177.05482	4.1
179.07040	12.5
187.07454	0.4
191.07031	1.5
193.06482	0.6
193.08730	0.4
197.05975	0.9
201.09192	0.5
203.07024	15.0
205.08601	0.5
211.07535	0.5
215.07053	0.9
221.06110	0.8
221.08060	1.1
225.09108	1.1
229.08617	1.3
233.08183	0.4
239.08978	0.4
245.08192	0.7
247.09685	0.5
253.08511	0.8
253.50557	0.3
257.08160	1.9
267.10266	0.7
275.09125	0.6
281.10095	0.8
285.11249	2.5
293.10416	0.5
327.12338	1.7
366.20645	0.4
404.11389	0.4
408.11624	0.4
449.14359	0.6
471.16022	0.4
528.02454	0.4
615.23267	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	8.4
55.05506	41.5
57.03426	23.2
57.07071	15.0
59.04990	9.9
60.93372	5.8
67.05502	83.7
69.03425	11.5
69.07074	42.3
69.55120	32.4
69.55541	14.5
69.93932	6.0
70.83828	5.7
71.08618	8.4
78.07701	6.1
79.05498	46.4
80.34963	5.8
81.03422	77.3
81.07063	100.0
83.04974	7.0
83.08640	33.4
85.06528	13.2
87.04457	8.2
89.06031	78.6
91.05478	53.6
93.07032	47.1
95.04965	27.3
95.08606	80.0
97.06538	12.0
97.10151	13.6
98.20782	12.9
105.07024	51.3
107.04948	9.7
107.08605	37.2
109.06494	6.3
109.10157	30.5
111.08110	7.5
117.07005	10.5
119.08591	36.3
121.06522	8.2
121.10128	29.6
123.08030	6.9
123.11710	9.5
125.09615	9.4
128.06221	7.5
129.06990	19.2
131.08571	17.4
133.08627	51.0
133.10135	25.8
135.08089	9.1
135.11711	12.6
137.09636	11.0
143.08554	21.1
145.10129	25.8
147.08003	9.6
147.11673	18.7
149.09654	9.9
157.10124	25.3
159.11694	20.7
161.09534	8.5
161.13342	7.5
163.11147	8.5
165.09061	11.1
171.11639	13.8
173.13319	11.6
175.11154	11.3
177.11258	19.6
181.10045	8.3
181.12250	7.2
185.13268	11.6
193.12280	26.0
195.11664	9.8
203.14383	9.5
211.13202	8.7
221.15395	19.7
249.14835	7.6
263.23560	6.9
267.15909	94.0
283.17764	7.5
318.27750	6.1
325.21442	7.4
337.27408	72.4
352.23935	18.7
415.25500	17.4
529.38837	56.3
534.36774	11.1
547.39819	15.1
614.39825	9.0
614.48389	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	613.2893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64386	1.1
56.96567	34.4
67.05499	2.0
69.27988	1.2
71.95255	2.1
81.07050	1.9
84.96058	6.7
86.26643	1.3
93.07028	3.1
98.21479	3.8
98.97585	78.2
105.07004	1.7
107.08603	2.5
110.97551	5.3
112.99133	33.0
116.98623	36.7
119.08568	1.8
121.10110	2.4
124.99118	3.3
128.98586	8.9
131.00172	45.9
134.99663	9.0
140.00201	4.7
140.98587	3.6
143.00171	8.9
146.99733	2.7
147.04388	1.7
149.01230	25.3
154.01736	3.1
154.99977	1.8
158.99654	37.0
161.01195	6.1
167.02284	3.3
170.99641	4.6
172.02824	3.7
173.01260	6.6
175.02843	1.9
177.00720	40.6
185.01212	5.7
189.00719	3.9
191.02240	6.4
192.24605	1.2
195.01733	2.6
199.02744	9.8
200.02290	4.6
203.02258	7.8
209.01283	4.2
214.03845	1.6
215.02335	3.5
217.03838	3.5
219.01768	9.9
227.02335	2.0
233.03424	2.8
237.02818	6.6
275.04358	18.9
290.65997	1.2
293.05447	52.6
309.04977	1.4
311.06430	10.3
316.07050	8.8
317.17883	100.0
334.08127	3.1
335.18973	28.9
358.20389	10.7
368.86377	1.4
377.20160	6.5
391.21695	2.7
403.21506	2.0
437.21088	1.3
497.24094	3.7
538.92145	1.3
553.26825	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	613.4827
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.02362	1.1
51.34632	0.8
53.03940	2.1
55.01862	1.2
55.05511	16.5
57.03450	6.2
57.07066	4.2
60.73289	0.9
65.03948	2.6
67.05507	49.5
69.07070	18.3
71.04994	2.1
71.27409	1.6
73.78931	1.0
79.05042	2.0
79.05497	30.3
81.07059	55.5
83.04945	1.2
83.08622	7.9
85.06528	2.1
86.05104	0.9
88.32648	0.9
91.05486	22.5
91.06055	1.2
93.07048	36.6
95.04974	2.4
95.08614	46.2
97.06546	2.0
97.10177	4.0
99.08094	1.2
104.55598	0.9
105.07033	25.3
107.08604	25.3
109.06517	1.2
109.10162	19.2
111.08103	2.2
112.74376	0.9
117.07006	11.0
119.08589	20.7
121.10149	19.9
123.11723	10.6
125.09615	1.2
129.07008	4.3
130.07813	1.4
131.08571	18.4
133.10146	21.2
135.11678	13.9
137.13284	3.2
139.11249	1.4
142.07771	1.2
143.08600	5.5
145.10112	17.8
147.11688	13.3
149.13251	8.4
151.14771	1.6
153.80856	1.0
155.08540	2.0
157.10133	5.1
159.11699	14.5
161.13283	10.7
163.14848	3.8
165.16315	1.3
169.10094	1.8
171.11703	7.1
173.13261	10.0
175.14828	5.9
177.16431	2.7
183.11781	1.2
185.13240	5.3
187.14810	7.6
189.16438	2.2
191.18018	1.1
192.10204	1.1
197.13188	1.3
199.13174	1.2
199.14824	3.4
201.16406	3.7
203.18034	1.2
211.14900	1.7
213.16425	2.5
215.18054	1.9
217.19536	1.2
225.16466	1.5
227.18088	1.9
229.19598	1.3
231.21150	1.2
241.19676	2.8
243.21086	2.2
247.20651	1.4
259.20660	7.9
261.22165	10.5
273.22028	1.1
275.23746	1.2
285.22113	1.1
287.23706	1.9
299.23874	1.4
307.22763	1.2
315.23227	1.7
315.26910	1.8
317.24789	3.1
333.24274	5.6
335.25836	17.0
337.27457	10.6
349.27420	1.1
389.30188	1.3
411.32513	1.2
437.34134	1.3
489.35800	1.9
503.36850	1.7
521.43732	6.7
529.38812	1.5
539.44403	3.4
543.16217	1.1
543.40662	1.4
556.26221	1.2
585.45294	1.2
595.47064	11.2
613.48254	100.0
614.48358	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	613.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53746	0.3
53.03912	1.6
53.04152	0.3
64.43324	0.3
65.03916	1.3
67.05504	2.6
69.07040	0.5
69.75103	2.4
77.03909	1.0
78.04662	0.5
79.05496	3.4
79.20365	0.4
80.05011	2.2
81.03387	0.8
81.05745	1.1
81.07001	0.8
82.06572	2.2
91.05476	5.0
92.04961	0.6
93.05795	1.9
93.07038	7.7
94.06564	12.4
95.04963	2.0
95.06797	0.6
95.07349	7.3
95.08587	0.7
96.04462	0.9
96.08133	19.0
97.06486	1.4
103.05421	1.6
103.71320	0.4
104.04943	0.6
105.04461	0.4
106.05909	0.4
106.06555	6.2
107.07330	2.0
108.04424	1.5
108.08115	21.0
109.08850	1.1
110.09676	27.8
116.04927	1.6
118.06494	1.8
119.07270	0.4
120.04468	6.0
120.08101	21.7
121.06477	1.0
121.08836	1.4
122.06033	9.6
122.09616	1.6
123.06770	1.4
124.07589	14.0
126.05524	0.6
130.06458	0.7
131.07286	0.5
132.04411	0.7
132.08072	2.0
134.06007	3.8
134.09598	0.8
135.06718	0.9
136.07573	44.3
137.05998	0.4
137.08340	0.8
138.05453	1.7
138.09134	38.4
144.04442	2.8
144.08028	1.4
146.06006	16.1
146.09624	2.1
147.06758	0.6
148.07567	36.0
149.08276	1.2
150.05464	1.1
150.09158	5.0
151.03896	0.4
151.06250	0.7
152.07063	21.6
154.04982	0.5
154.08571	0.7
156.08116	0.5
158.05905	0.5
158.09622	0.6
160.03903	1.8
160.07526	2.2
162.05478	3.7
162.09036	0.4
164.05672	0.4
164.07056	7.3
165.07945	1.9
166.08633	44.9
167.07094	1.9
168.08067	0.5
170.08347	0.7
172.03937	9.5
172.07581	0.9
173.05890	0.5
174.05548	2.1
174.09155	4.3
175.06261	0.6
176.07030	3.0
181.04919	0.9
181.08913	0.6
182.08176	1.0
182.09593	0.6
183.09113	0.9
184.09892	1.4
184.11328	0.5
185.07126	0.5
185.10721	1.2
186.09215	0.5
187.08710	0.7
188.07065	0.5
190.04982	25.1
191.07219	0.6
192.06573	1.1
193.07382	0.5
194.08101	1.0
194.09688	0.7
195.09163	0.8
196.09857	1.3
196.11360	0.6
197.10713	4.3
198.09494	0.7
198.11499	5.9
199.08580	0.7
199.12358	2.0
201.10205	0.9
207.09158	1.2
208.09857	1.0
209.10757	4.5
210.09140	2.2
210.11481	7.1
211.08672	2.7
211.12271	11.1
212.09268	3.6
212.12817	1.9
213.10216	1.8
213.13794	1.0
214.07251	0.4
214.11031	0.7
215.08081	0.6
215.11717	0.7
216.10022	0.4
218.08116	5.5
219.09100	0.4
220.09848	1.2
221.10732	2.9
222.07637	0.5
222.11531	1.8
223.08925	2.5
223.12280	13.7
224.09348	6.6
224.13068	1.6
225.10220	22.9
225.13602	2.5
226.08844	0.8
226.10973	9.7
226.36534	0.4
227.08249	0.5
227.11778	7.9
229.09741	1.1
229.13356	3.5
233.10692	2.3
234.11549	0.9
235.08627	5.0
235.12280	4.4
236.09412	8.4
236.13013	1.2
237.10216	26.4
237.13689	2.3
238.10983	18.0
239.08005	1.1
239.11784	19.1
240.08928	0.5
240.12485	1.5
241.09758	3.1
241.13326	2.2
243.11313	1.3
245.12833	1.7
246.07654	0.7
247.08649	0.7
247.12283	0.8
248.09407	4.3
249.10211	14.1
249.13968	0.7
250.08408	0.8
250.10986	10.3
251.08022	2.1
251.11784	31.1
252.08929	6.2
252.12534	6.1
253.09631	4.3
253.13354	7.2
254.10541	1.4
255.11270	8.2
256.12054	4.1
257.12863	2.4
258.13629	1.1
259.14255	1.2
261.10242	1.7
262.08398	0.8
262.11026	11.5
263.07751	2.2
263.11783	32.2
264.08936	9.7
264.12524	7.6
265.09714	12.8
265.13333	13.9
266.10480	10.6
266.13702	1.0
267.11285	30.0
268.12036	2.4
268.14563	0.4
269.09882	0.6
269.12823	7.8
270.10339	0.5
270.13342	0.4
271.10809	4.6
271.14377	14.3
273.12344	6.2
275.11819	2.6
276.09128	0.8
276.12585	1.5
277.09720	4.2
277.13309	2.2
278.10480	7.2
279.11270	58.5
280.12030	7.7
281.09634	1.0
281.12827	16.7
282.09979	2.2
282.13132	2.4
283.10785	14.9
283.13943	0.8
284.11539	34.5
285.12314	50.5
286.12991	1.0
287.05463	1.0
287.13910	4.8
288.14841	0.6
291.11261	20.4
292.12057	6.5
293.09174	3.0
293.12753	17.4
294.09964	1.3
294.13553	0.9
295.10797	4.3
295.14365	1.7
296.11533	17.4
297.12320	74.5
298.12988	4.8
299.13910	7.6
300.14996	0.7
302.12897	1.1
302.16464	0.6
303.11258	0.5
304.08408	0.7
304.14554	0.5
304.18036	0.7
305.09427	0.9
307.10703	3.1
308.11499	0.9
309.12329	34.5
310.09811	0.7
310.13092	6.9
311.10300	20.5
311.13858	3.5
312.11035	8.5
312.14642	0.9
313.11816	5.8
313.15421	0.6
314.12762	0.7
314.16446	0.5
315.13635	1.6
316.14468	2.6
317.15179	0.7
318.15976	0.6
318.19739	0.6
319.10751	16.2
319.14478	0.9
320.11386	0.5
321.12338	27.2
322.09448	0.6
322.12964	1.4
323.10251	40.9
324.10831	2.4
325.11819	32.2
326.12524	2.1
327.13412	13.4
328.14307	1.8
329.15268	0.9
330.12460	0.8
330.15976	1.9
330.19565	0.6
332.17517	1.2
337.11813	100.0
338.12454	3.3
339.13361	7.1
340.14374	0.9
341.11362	3.7
341.15256	1.1
342.12448	0.9
342.16043	2.0
343.12915	2.8
343.16766	0.5
344.13818	1.3
344.17630	1.4
345.14798	0.7
346.15521	0.6
346.19235	3.2
348.16919	0.6
348.20715	1.0
349.18027	0.6
351.13242	0.7
352.14636	0.5
354.12262	0.9
354.16055	0.9
355.13190	1.1
356.13821	2.1
356.17612	0.9
357.15024	1.8
358.15421	2.1
358.19333	1.0
359.16409	0.6
360.17010	2.2
362.18494	1.5
368.13693	0.9
368.17773	0.6
369.14856	2.2
370.15607	2.5
372.17004	2.1
372.21078	0.8
374.18777	2.3
376.16354	1.6
376.20645	2.4
382.15604	1.2
383.15836	0.5
384.17316	2.2
386.14896	1.3
386.19073	0.7
387.15604	1.2
388.16232	2.4
388.20447	0.9
390.18127	4.5
392.19604	2.5
396.16599	1.1
398.18829	0.8
400.16443	4.5
401.17212	1.2
402.18076	5.4
403.18860	1.5
404.20023	7.0
405.20776	0.5
406.17569	3.1
408.19095	1.2
412.16537	5.3
414.18292	2.6
416.14856	0.6
416.20337	2.8
418.17270	4.2
419.18280	0.5
420.19034	0.8
421.19888	3.1
422.20743	1.6
424.16599	2.2
428.20081	0.8
430.17618	27.2
431.18533	2.5
432.19202	12.0
433.20215	0.8
434.20874	1.2
436.18640	6.9
442.17609	8.4
444.19165	3.5
446.20871	10.0
447.21799	1.1
448.18637	48.6
449.19437	72.4
450.20230	31.4
451.20316	0.6
456.18967	0.7
458.17072	0.9
460.18661	41.4
461.19464	4.2
462.20209	8.7
463.20715	2.1
472.18607	4.5
473.19672	0.6
474.20236	8.0
476.18161	26.3
477.18976	9.7
478.19720	23.6
490.19717	60.8
491.20493	18.7
491.27966	0.7
492.21298	21.8
567.26074	5.5
569.27527	0.8
571.25476	3.3
577.25049	0.9
585.26947	0.8
595.25513	18.9
613.26550	34.6
614.27032	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.3574
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	22.6
71.62218	3.5
79.05507	2.4
83.08575	3.0
95.08615	3.2
98.97589	90.5
104.31827	2.4
105.07041	3.0
107.08640	2.7
116.98630	59.1
119.08603	3.7
121.10178	3.1
133.10173	2.5
134.99680	22.3
140.00215	7.0
141.27036	2.5
231.44023	2.3
261.40036	2.4
309.13846	5.5
323.15277	2.6
327.14874	9.2
329.16324	3.0
332.85605	2.2
341.16394	3.3
355.18063	3.5
357.06570	2.7
362.70673	2.8
427.24963	2.6
451.44058	2.6
465.30600	2.9
475.29025	4.4
493.29895	25.5
511.31058	29.7
527.34210	11.8
529.32068	80.1
534.32556	5.2
545.35266	35.8
547.33154	22.3
552.34021	11.8
552.40985	2.3
568.36627	6.2
571.25006	1.5
571.33051	47.3
589.34113	100.0
607.35211	4.1
612.36157	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	612.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.3
53.54346	4.8
55.01861	7.5
55.05518	36.1
57.03434	23.9
57.07062	8.0
57.37085	4.6
59.89084	3.9
61.73503	5.3
65.03925	8.6
67.05167	6.8
67.05503	88.3
69.07081	27.0
71.32426	6.5
79.05097	6.9
79.05492	60.4
81.02969	6.9
81.03422	97.5
81.07059	91.4
82.07402	8.9
83.04975	8.2
83.08614	25.0
84.87029	4.2
91.05454	52.7
93.07048	65.3
95.04964	29.2
95.08606	69.5
96.08909	6.3
97.06555	6.5
97.10162	8.8
105.07032	44.8
107.04980	10.9
107.08596	39.5
109.06468	5.6
109.10161	27.7
109.89948	4.7
111.08063	15.3
117.07008	15.8
119.08588	41.7
121.10129	29.7
123.11716	8.5
125.09583	7.0
129.07057	11.0
131.08591	36.9
133.10126	31.9
135.11662	16.7
143.08543	7.2
145.10107	21.8
147.11661	20.2
147.93848	5.0
149.09598	7.2
149.13266	13.0
157.10136	12.1
159.11667	12.8
161.13263	10.7
169.10066	8.2
171.11688	4.7
173.13318	10.1
175.11237	5.9
183.11810	5.6
193.12206	24.6
213.15923	5.1
227.12756	6.7
243.21077	7.9
259.20627	8.6
261.22119	22.7
267.15927	100.0
301.25299	8.9
310.44455	4.7
335.25809	88.1
336.26163	8.9
339.82315	5.6
453.33929	9.9
527.37299	45.5
538.42841	6.0
545.38763	22.5
612.47314	43.8
612.56989	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	612.3014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
55.01873	2.4
55.05516	15.6
57.95153	1.7
62.95458	1.8
65.03942	3.4
67.05501	7.6
69.03447	10.3
69.07091	3.7
70.06601	3.5
71.04975	2.7
71.08626	11.5
71.61240	2.4
71.61686	2.1
72.08147	6.0
73.02905	2.8
76.20824	1.8
79.05495	9.8
80.05029	3.4
81.03429	9.9
81.05800	1.8
81.07069	9.4
82.06593	3.4
83.04976	27.8
83.07367	2.3
83.56604	1.8
85.02899	7.4
85.06517	2.6
86.06070	73.4
91.05486	9.5
93.07060	10.3
94.06564	7.2
95.04961	3.5
95.07352	3.7
95.08591	11.8
95.52660	1.7
96.08136	24.5
97.02883	10.3
97.06537	4.0
97.08464	2.7
98.09699	31.3
98.97567	3.2
99.04453	7.5
99.08125	9.2
101.06003	12.2
103.05431	1.9
105.07023	11.6
106.06548	2.4
107.04951	3.1
107.08584	2.3
108.04467	4.4
108.08120	19.9
109.02882	13.0
109.06497	5.2
109.08385	2.1
110.09700	13.4
111.04450	36.5
111.10041	2.4
113.06107	1.9
115.05440	1.7
115.67418	2.0
116.04993	3.3
116.10737	72.3
117.07001	3.7
119.08604	9.5
120.04444	4.5
120.08123	10.0
121.06507	2.4
121.08479	3.4
121.10172	2.4
122.06001	6.8
122.09673	2.0
123.08053	4.1
124.07592	14.3
125.07933	2.4
127.03916	100.0
129.05469	9.2
131.05002	2.5
131.08569	6.5
133.06538	2.4
133.10129	7.1
134.09627	2.8
135.08055	3.0
136.07578	14.9
137.05962	5.5
137.07979	1.8
137.09589	3.6
138.09132	16.4
139.09431	1.9
141.09122	2.6
142.08633	21.1
142.12273	4.1
143.10645	18.2
144.04465	3.6
145.04834	4.1
145.10118	3.1
146.05986	9.5
147.04395	2.5
147.06343	3.6
147.08080	3.2
148.07584	5.0
149.06041	3.3
149.09592	2.2
151.03955	3.1
151.07619	2.5
152.07108	2.9
154.08685	3.2
155.07040	8.6
159.10196	2.1
161.09639	7.2
162.05525	2.8
163.07529	5.0
163.11125	2.2
164.07042	2.8
164.10741	9.1
165.09140	4.6
166.08621	19.9
167.07059	5.7
167.08984	3.9
172.03896	9.5
173.04292	3.1
173.08092	2.7
176.07016	4.4
179.10675	5.1
180.13785	3.1
181.04950	11.1
182.05338	2.5
182.15413	7.4
189.09039	4.6
190.05000	22.4
190.12263	9.1
191.05318	8.6
191.06923	2.8
197.10680	5.2
206.11797	2.9
207.10153	8.2
208.13342	14.8
209.11829	4.1
211.08675	3.3
212.09265	4.6
213.09821	2.9
214.18089	8.3
224.09265	2.7
224.12866	3.0
225.09970	8.8
226.10666	6.8
226.14363	48.7
227.11679	11.5
228.12120	9.8
236.09355	4.1
237.09940	4.6
238.10590	2.8
239.11707	4.7
244.15582	10.0
249.10429	2.5
250.10667	3.0
251.11757	4.0
253.09663	7.3
254.10036	4.1
256.11533	2.1
264.08987	3.2
265.09311	4.2
268.11526	2.3
269.12891	18.3
270.13196	16.7
271.10788	7.6
272.11136	8.4
273.09570	2.4
273.12384	5.5
274.12698	7.1
277.09689	2.6
279.11319	4.9
280.11548	4.2
283.10669	4.1
284.11304	5.4
285.12350	7.9
286.12671	4.7
286.16522	6.2
287.05490	5.5
295.10443	2.1
296.11310	3.4
297.12244	6.5
298.12653	6.3
299.13831	2.6
300.14490	3.5
313.12216	4.3
315.13425	4.1
323.10233	7.2
324.10611	5.2
324.21716	8.5
325.11771	21.7
325.15308	2.5
326.12106	25.9
327.13519	3.4
328.10416	3.5
328.13864	8.2
328.17340	2.1
329.10956	5.9
329.14542	3.9
330.12225	3.1
330.16003	3.6
332.17023	2.5
333.13458	2.1
334.16556	2.9
337.11353	2.4
339.13312	2.7
341.11453	2.2
342.12283	8.0
343.12769	10.6
344.13458	5.9
351.14178	4.0
352.17612	31.6
354.12164	2.6
355.12537	4.5
356.13864	6.0
357.14386	7.7
358.14969	2.2
365.11624	2.5
370.18784	19.5
371.15894	7.0
372.16980	2.8
379.18286	2.3
382.11487	2.5
383.12210	6.9
384.12958	4.4
385.13464	5.3
386.14520	4.3
387.14859	3.6
388.19696	47.5
391.18375	4.1
395.15985	3.0
398.15042	8.0
399.15482	26.4
400.16269	21.8
401.16943	2.7
412.16293	2.9
413.17038	4.1
415.18457	4.1
416.16150	7.1
417.16443	14.8
428.15851	3.1
429.16525	5.7
431.17889	4.4
440.15997	3.9
441.16528	9.9
446.17130	7.9
447.17398	19.1
449.18726	2.7
450.24985	3.6
458.17111	18.3
459.17438	67.8
468.26007	17.5
486.26953	45.9
514.22858	40.1
542.24585	2.3
566.24451	5.6
568.26251	5.7
570.24231	21.7
584.25629	6.5
594.23749	16.0
612.24744	49.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.1
55.01864	2.4
55.05515	20.5
57.03447	8.3
57.07067	3.6
59.70051	1.1
65.03934	3.6
67.05509	61.0
69.07072	25.0
69.27915	8.4
71.04993	3.0
71.08640	1.7
77.03896	1.7
78.34677	1.1
79.05499	47.3
81.03428	1.3
81.07061	65.6
83.04981	2.6
83.08620	11.5
85.06551	1.8
91.05484	43.6
93.07050	51.3
95.04969	4.4
95.08614	50.4
97.06524	3.2
97.10174	4.2
98.20680	2.0
99.08092	1.1
103.05470	1.5
104.35712	0.9
105.04537	1.4
105.07036	43.1
107.08601	30.9
109.06516	2.1
109.10165	20.8
111.08112	2.0
115.05440	2.3
117.07027	19.7
119.08588	37.2
121.10151	20.7
123.08019	1.1
123.11689	6.8
125.09671	1.4
125.21888	1.1
128.06230	4.1
129.07004	12.8
130.07765	2.1
131.08578	28.0
133.10146	31.2
135.11702	13.9
137.09630	1.4
137.13255	2.4
137.44760	1.1
137.89326	1.0
139.11229	1.4
141.07007	4.4
142.07874	1.2
143.08580	16.5
144.09441	1.4
145.10135	29.3
147.11696	23.7
147.12772	2.0
149.13277	9.1
155.08545	8.1
156.09354	1.3
157.10124	16.3
159.08112	1.0
159.11710	21.4
161.09544	1.1
161.13277	16.1
163.14857	3.7
167.08588	2.0
169.10139	10.3
171.11699	18.4
173.13260	15.7
175.14835	9.4
177.16431	1.2
181.10170	5.2
183.11725	9.4
184.12479	1.3
185.13263	13.4
187.14865	7.8
189.16374	2.3
195.11728	4.2
197.13254	9.6
199.14861	9.8
201.16464	3.7
203.18044	1.5
207.11699	1.3
209.13257	2.8
211.14838	4.9
213.16411	7.2
215.17953	2.2
221.13403	1.3
223.14880	2.6
225.16411	3.8
227.17978	3.6
229.19621	1.9
231.21043	2.1
237.16618	1.2
239.17998	3.8
241.19601	10.5
243.21082	1.9
257.18991	5.3
259.20557	18.1
261.22247	3.2
273.22223	1.4
283.20886	1.3
285.22021	1.7
297.21967	1.3
313.21725	1.6
313.25107	1.2
315.23337	1.9
325.52841	1.1
333.24170	11.6
335.25742	15.9
351.26590	1.2
367.25986	1.3
367.30038	2.1
381.31784	1.6
457.69336	1.1
489.35971	1.9
501.41415	2.3
519.42041	7.6
537.43079	4.3
541.39020	2.3
593.45721	7.8
611.46741	100.0
612.46985	2.6
635.40753	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1607
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
67.01853	0.2
68.62780	0.2
69.03391	0.3
69.39102	1.1
69.39525	0.4
79.97593	0.2
85.02876	0.5
89.11415	0.2
98.20643	0.3
105.07032	0.3
124.11085	0.2
135.04379	1.3
153.01830	3.1
161.02324	0.3
161.05928	0.4
171.02921	0.2
179.03383	0.4
193.08566	0.2
196.95660	0.2
197.12939	0.2
237.02788	0.2
241.04916	0.3
269.04471	0.3
286.04715	0.3
287.05499	100.0
288.05820	1.4
345.12149	0.4
387.58270	0.2
449.10812	42.5
450.11014	0.6
591.15326	0.2
611.16028	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31622	1.0
53.03947	2.4
55.01865	1.9
55.05515	15.6
57.03437	7.0
57.07062	3.5
57.07327	1.1
65.03925	3.3
65.23071	0.9
66.31878	0.9
67.05505	48.3
67.05867	2.5
67.91412	0.9
69.07066	17.5
70.85436	3.3
71.04954	1.8
71.08619	2.3
72.87947	1.0
79.05048	2.1
79.05495	35.6
80.52268	1.0
81.03385	1.4
81.07059	50.0
82.38618	1.3
83.04977	2.0
83.08636	8.3
85.06566	1.6
91.05479	31.9
93.07048	37.4
95.04972	3.4
95.08607	35.8
97.06536	2.8
97.10172	4.5
98.23182	1.1
99.08090	2.1
103.05466	1.8
105.07040	33.7
107.08601	21.1
109.10152	15.9
111.08113	2.7
114.86757	1.0
115.05495	1.2
117.07011	15.1
119.08584	32.3
121.10145	17.8
123.11707	7.8
125.09625	1.2
128.06226	3.3
129.07002	11.2
130.07730	1.7
131.07584	1.3
131.08565	26.1
133.10138	19.6
135.08052	1.4
135.11681	11.9
137.09671	1.0
137.13225	2.2
141.07022	1.8
142.07835	1.7
143.08557	14.5
145.10115	24.1
147.11687	16.9
149.09671	1.4
149.13239	8.2
151.11180	1.4
155.08545	5.3
156.09409	1.5
157.10126	15.3
159.11705	17.3
161.13251	15.6
163.14810	3.9
167.08585	2.1
169.10196	6.9
171.11690	14.3
173.13252	13.8
173.14464	1.3
175.14847	5.7
177.12633	1.0
181.10135	2.0
183.11656	6.0
185.13254	9.3
187.14824	6.9
189.16441	2.3
195.11754	3.0
197.13246	6.8
199.14867	7.0
201.16476	5.1
203.17882	1.5
209.13275	2.6
211.14841	4.3
213.16391	4.1
215.18021	3.3
223.14795	2.7
225.16422	3.1
227.18077	2.9
231.17412	1.4
231.21030	2.2
237.16382	1.5
239.18068	2.5
241.19656	9.2
243.21115	2.6
257.18991	3.6
257.22769	1.0
259.20584	18.7
261.22144	4.3
275.20258	1.2
285.22165	1.1
299.23837	1.1
315.23422	1.4
319.05304	1.1
325.25308	1.6
333.24277	12.5
335.25809	20.6
337.27713	1.2
339.26730	1.5
501.41187	2.1
519.42065	6.1
527.36572	1.2
537.43079	5.1
541.38507	1.5
593.45734	9.9
603.90076	1.1
611.46710	100.0
612.47040	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	611.161
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03954	0.4
55.01859	0.3
55.05507	0.4
57.03439	2.5
61.02920	0.6
66.10153	0.2
68.99779	0.6
69.03413	0.9
70.84877	0.5
70.85220	0.4
71.01311	0.3
71.04996	11.2
73.02904	0.5
75.04468	0.8
81.03407	0.7
83.04969	0.8
85.02908	14.4
87.04469	0.4
91.03976	0.3
95.04961	0.3
97.02914	1.2
99.04430	0.3
109.02879	0.8
111.00803	0.6
111.04437	0.4
121.02864	1.0
123.04459	0.3
127.03922	0.8
129.05489	2.9
129.06949	0.2
137.02351	2.4
139.03900	0.3
145.04968	0.7
147.06596	1.1
149.02330	0.5
153.01843	3.4
163.03894	0.5
165.01849	1.9
165.94705	0.2
173.05986	0.3
183.02936	0.6
201.05463	1.3
219.06503	0.3
229.04959	3.9
247.06044	0.6
257.04434	2.3
274.04712	0.8
285.04034	1.1
287.05493	2.7
303.04999	100.0
304.05316	1.1
353.90820	0.2
370.34341	0.2
449.10617	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1608
Annotation	Cyanin
Peak:m/z	Relative Intensity
57.53539	0.2
67.01878	0.3
68.99786	0.3
70.72539	0.4
75.42917	0.2
83.72160	0.2
111.27430	0.2
125.21188	0.2
135.04407	0.7
137.02341	0.2
151.47888	0.2
153.01813	2.8
161.02335	0.4
191.74646	0.2
241.04958	0.2
269.04434	0.2
287.05496	100.0
288.05740	1.1
338.57291	0.2
449.10822	17.2
611.15594	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1399
Annotation	Kaempferol 3-(6''-caffeoylglucoside)
Peak:m/z	Relative Intensity
53.03929	0.2
54.25622	0.1
55.01870	0.3
58.07655	0.1
65.03928	0.2
67.01862	0.6
67.05489	0.3
68.99815	0.4
69.03423	0.4
69.07043	0.4
70.06564	0.1
71.04985	0.2
71.61851	0.2
73.29330	0.1
76.75249	0.1
79.05495	0.7
81.03418	1.0
81.07039	0.4
83.04968	0.2
85.02898	0.6
86.09707	4.1
87.10052	0.8
89.03915	1.1
91.05482	0.6
93.07042	0.5
95.04966	0.3
95.08585	0.2
97.02866	0.4
97.06548	0.2
98.97645	0.1
99.04474	0.2
105.07008	0.6
106.07355	0.2
107.04964	0.4
107.08596	0.8
108.08987	0.2
109.02906	0.7
109.06474	0.3
111.04470	0.2
117.03403	1.1
119.04922	0.5
119.08572	0.3
121.06508	0.2
121.10131	0.3
123.04425	0.2
124.11234	0.1
127.03921	1.9
128.04271	0.4
128.10695	0.4
131.04924	0.2
131.08569	0.6
132.08871	0.2
132.10190	0.2
133.06586	0.1
133.10086	0.2
135.04419	4.0
135.08037	0.2
137.02368	0.9
137.06009	0.4
145.02867	1.6
145.06488	0.2
145.10097	0.3
146.10472	0.2
147.04399	1.8
147.08112	0.2
149.05969	0.2
149.09636	0.9
150.09962	0.5
151.03870	0.2
151.07547	0.2
153.01828	5.9
159.04161	0.2
161.02391	0.6
161.05957	0.2
161.09676	0.2
163.03903	22.7
163.11198	0.3
164.04248	0.3
165.09183	0.2
167.07047	0.6
167.10692	1.2
168.11005	0.4
171.02892	0.7
173.09601	0.2
174.09897	0.2
176.36189	0.1
177.09013	0.2
179.03383	0.4
179.07088	0.2
181.04942	1.4
189.05219	0.5
191.10658	0.6
192.10963	0.2
193.08577	0.3
203.07076	0.2
209.11774	0.3
230.09052	0.2
233.08160	0.2
241.04929	0.5
243.28020	0.1
258.74438	0.1
259.06000	0.2
269.04416	0.3
276.19598	0.5
277.19928	0.6
279.06183	0.2
283.05902	0.2
287.05493	100.0
288.05814	1.6
294.20584	0.2
299.05603	0.2
303.04831	0.4
305.19604	0.2
307.08151	1.5
322.20093	0.3
323.20578	0.2
325.06827	0.5
365.21579	0.2
431.22418	0.2
449.10660	0.5
479.13434	1.0
611.14972	0.4
611.24658	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4515
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37236	1.8
52.46877	2.0
53.03953	11.4
55.01871	11.2
55.05510	31.2
57.03425	6.3
57.07057	2.9
65.03934	6.3
67.05504	87.4
69.03434	4.2
69.07067	43.6
70.99988	2.0
71.04990	4.0
77.03922	2.5
79.05495	88.5
81.03423	7.0
81.07059	97.8
83.05000	8.5
83.08623	11.3
84.03909	2.2
85.06544	4.8
91.05479	87.2
93.07047	89.5
95.01347	9.9
95.04965	15.9
95.08611	68.1
97.06532	19.4
97.10196	6.0
99.08031	1.7
101.82810	2.0
105.04539	4.8
105.07034	92.4
107.04977	18.3
107.08595	40.8
109.06516	9.5
109.10159	22.5
111.08085	2.8
113.05997	1.8
113.09612	2.5
117.07024	22.7
119.08580	56.3
121.06520	4.5
121.10150	29.8
123.04446	2.4
123.08076	7.7
123.11707	5.9
125.09663	3.1
128.06219	3.0
129.06996	10.7
130.07878	1.7
131.08560	36.3
133.10127	55.5
135.08057	5.9
135.11690	17.4
137.09618	4.6
139.09772	2.0
142.07829	2.4
143.08568	10.1
145.10127	36.1
147.08173	2.4
147.11685	22.2
149.09642	8.1
149.13261	8.8
153.12714	2.0
155.08562	4.8
157.10147	10.8
159.11674	20.7
161.09656	3.4
161.13310	11.2
163.11217	6.2
163.14839	3.8
165.09097	1.9
169.10133	5.5
171.11703	7.0
173.13307	10.9
175.11168	2.5
177.12793	4.8
179.14290	21.7
181.10147	1.9
183.11740	7.8
185.13326	5.2
187.11180	2.0
187.14735	4.5
191.14357	1.9
195.11725	2.5
197.13271	3.8
199.14903	3.0
201.12761	2.2
201.16333	3.2
209.15271	2.6
213.16444	3.3
219.17456	23.4
223.27913	2.1
229.19519	5.2
233.15353	2.3
239.17990	3.4
247.20724	4.5
257.19037	14.7
259.20737	3.1
261.22247	3.2
271.80954	2.3
275.20059	98.2
293.21255	5.3
313.21481	2.5
331.22852	2.8
335.25992	3.0
476.21405	3.5
504.97769	2.1
535.22882	2.2
549.25262	4.4
580.23846	2.3
588.67468	2.2
591.44110	3.4
609.27441	27.9
609.45142	100.0
610.45355	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	609.4517
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03947	2.6
55.01872	1.8
55.05515	14.5
57.03437	3.6
57.07073	2.6
65.03944	1.5
66.58584	0.8
67.05508	25.0
67.19706	0.8
69.07070	12.0
69.75916	0.8
70.29072	3.3
71.04981	1.1
73.02912	2.9
79.05499	14.6
81.07061	24.4
83.04977	1.1
83.08614	6.5
85.06570	1.7
91.05479	14.4
93.07050	17.6
95.04991	2.4
95.08608	22.0
97.06538	1.6
97.10146	4.2
99.08111	1.0
105.07041	17.5
107.08607	10.9
109.06514	1.8
109.10166	9.8
110.56899	1.0
115.05439	2.0
117.07043	8.8
119.08572	15.1
121.10148	7.3
122.69168	0.9
123.11736	2.0
125.09660	2.2
128.06253	3.8
129.07018	10.2
131.08566	14.6
131.09492	1.1
133.10144	10.3
135.11713	4.9
137.13239	1.3
139.11201	1.4
141.06966	5.9
142.07782	1.8
143.08583	15.8
144.09332	1.1
145.06499	1.0
145.10143	14.3
147.11696	8.3
149.13278	2.4
153.07071	1.6
154.07832	1.8
155.08597	12.9
156.09346	2.0
157.10129	16.8
159.11690	10.0
161.13281	4.0
163.14867	1.2
165.07098	1.6
166.07802	1.0
167.08548	5.3
168.09366	2.6
169.10139	16.2
171.11722	12.0
173.13281	5.2
175.14864	2.4
179.08527	1.7
180.09349	1.6
181.10132	11.0
182.10922	1.1
183.11688	17.9
183.13170	1.4
184.12363	1.2
185.13293	9.1
187.14813	3.9
189.16461	1.3
193.10153	3.1
195.11699	11.1
197.13271	11.9
199.14870	6.7
201.16443	2.5
207.11707	3.9
208.12436	1.6
209.13255	8.0
211.14880	5.9
213.16431	5.5
215.17906	1.3
219.11687	1.4
221.13245	4.2
223.14824	6.0
225.16385	5.1
227.17969	3.5
233.13255	1.5
235.14899	2.4
237.16412	3.3
239.18144	4.1
249.16402	2.1
251.17995	2.7
253.19565	2.8
257.19147	1.0
263.18042	1.8
265.19635	2.8
267.17593	1.1
267.21207	1.0
273.22134	1.2
277.19379	1.3
285.22382	1.0
293.22379	1.1
297.18414	1.0
309.22192	1.0
309.59988	0.9
311.20023	1.4
337.25351	1.5
339.23096	1.1
341.24805	1.0
349.25430	1.6
351.26852	1.7
353.24991	1.4
363.26770	1.5
365.24527	1.4
365.28693	1.2
367.26587	1.4
380.81345	0.8
381.27750	1.3
391.30142	1.9
407.28860	1.1
435.32687	1.1
447.32663	2.0
449.34174	1.5
499.39566	2.3
503.35165	1.0
517.40448	17.4
518.40802	1.3
535.41705	9.3
539.37573	2.4
542.96417	1.0
553.42657	1.4
573.43097	2.1
591.44122	18.4
609.45203	100.0
610.45557	2.2
613.52722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4513
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03941	1.6
55.01857	1.6
55.05262	0.9
55.05512	13.4
55.13509	0.5
57.03425	3.4
57.07068	1.8
65.03927	1.6
67.05505	25.7
69.06715	0.9
69.07072	12.9
69.59423	1.2
69.59837	3.5
71.04983	1.3
79.05044	1.1
79.05490	17.5
81.07058	26.2
83.04969	1.8
83.08619	6.6
85.06538	1.2
85.19417	0.7
91.05478	16.0
93.07043	17.6
95.04967	1.8
95.08602	19.1
97.06516	2.9
97.10156	4.0
103.94623	0.6
105.07028	15.8
107.04988	0.6
107.08595	12.1
109.06517	1.4
109.10152	8.7
111.08085	0.9
113.09656	0.8
115.05450	1.2
117.07020	9.1
119.08578	14.9
121.10146	8.1
123.08112	1.5
123.11726	2.1
125.09627	1.4
128.06221	2.7
129.06999	11.0
130.07803	0.6
131.08572	13.1
133.10132	9.5
135.08073	0.8
135.11714	4.6
137.13264	1.4
139.11246	0.9
141.06981	5.1
142.07793	2.7
143.08559	15.4
144.09358	0.8
145.10132	14.6
147.11705	5.7
149.09570	0.7
149.13261	2.7
151.14821	0.6
153.07013	1.9
154.07831	1.7
155.08551	11.6
156.09355	1.9
157.10132	13.4
159.11697	11.3
161.13261	3.9
163.11191	0.6
163.14828	1.0
165.07022	1.4
166.07790	0.7
167.08594	6.0
168.09352	1.8
169.10132	15.5
170.10881	1.2
171.11696	11.2
173.13261	6.7
175.14850	2.1
179.08586	2.2
180.09389	1.2
181.10124	9.0
182.10962	0.9
183.11699	15.4
185.13268	8.4
187.14835	3.8
189.16466	1.2
192.09435	0.7
193.10143	2.3
194.10867	0.8
195.11693	9.6
197.13251	12.8
199.13211	0.7
199.14838	6.8
201.16365	1.4
205.10150	1.0
207.11745	3.7
207.13435	0.6
208.12514	0.6
209.13269	7.9
210.14169	0.7
211.14824	8.6
213.14752	0.7
213.16425	4.9
215.17969	1.1
219.11674	1.0
220.88831	0.7
221.13315	2.6
223.14813	6.0
225.16411	4.9
227.18117	3.4
229.19699	0.7
233.13254	1.7
235.14833	2.8
237.16342	3.6
239.17984	2.6
241.19592	1.9
247.14821	0.6
249.16388	1.9
251.17935	2.9
253.19598	2.4
257.18973	1.6
263.17868	1.0
265.19589	1.3
267.20984	0.7
271.20401	0.8
275.20169	1.1
277.19687	0.7
279.21072	1.0
281.19086	0.7
283.20465	1.3
285.22101	0.6
291.20901	0.8
295.20615	1.1
297.22189	1.3
309.22177	1.5
311.23648	0.8
321.22141	1.3
323.23801	1.9
335.26157	0.8
337.25299	1.4
349.25110	1.1
351.23099	0.9
351.26971	2.4
353.24588	1.1
355.26147	0.7
361.25018	0.6
363.26852	1.2
365.24591	0.8
365.28537	1.5
369.27951	0.6
377.28473	1.0
379.30008	0.8
381.27863	0.8
391.30066	1.2
393.31689	0.8
405.26361	0.6
405.31781	0.9
407.29099	0.8
421.31223	1.0
425.30948	0.7
429.31235	0.8
435.32590	0.8
447.32391	1.4
449.34262	1.0
487.34543	0.7
495.35275	0.8
499.39288	1.9
517.40546	13.9
521.36212	1.0
525.35309	0.7
535.41510	7.3
539.37244	1.6
540.38159	0.8
553.42108	0.8
573.43103	1.8
591.44061	12.6
609.45129	100.0
610.45557	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	609.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
62.37775	0.1
65.03919	0.2
67.01863	0.5
67.05492	0.3
68.99792	0.5
69.03426	0.4
70.06576	0.2
71.61224	0.1
71.87450	0.1
76.75166	0.1
78.04674	0.2
79.05503	0.3
81.03432	1.4
81.07046	0.2
83.18510	0.2
85.02902	0.4
89.03922	1.8
91.05477	1.1
95.08615	0.2
97.02888	0.2
99.04461	0.2
100.08273	0.2
103.05412	0.2
105.07007	0.4
107.08578	0.2
109.02876	0.6
109.10139	0.2
117.03384	5.2
119.04940	2.6
119.08585	0.2
121.02909	0.8
121.06534	0.2
124.07591	0.1
124.11207	0.2
127.03912	0.4
131.04912	0.2
131.08492	0.2
133.10159	0.2
134.03644	0.4
135.04434	0.3
145.02852	16.0
146.03177	0.2
147.04419	0.6
149.05965	1.7
153.01842	6.5
163.03909	0.6
167.07097	0.3
171.02917	0.5
177.05476	45.0
178.05809	0.4
186.05505	0.4
187.03899	0.3
195.06512	0.6
199.76378	0.2
203.07101	0.2
225.05447	0.4
229.04999	0.3
243.06540	0.6
271.06018	100.0
272.06332	1.4
286.04471	0.3
287.05481	0.3
301.07053	0.6
321.09698	4.1
339.10858	1.3
484.01526	0.2
609.23676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.7
55.01871	5.9
55.05514	23.4
56.96549	2.2
57.03438	15.8
61.02925	2.9
65.03953	4.8
67.05505	51.9
69.03430	18.8
69.07062	16.5
70.88844	5.3
71.01343	3.9
71.04993	10.4
73.02914	2.8
73.83790	1.8
75.86749	1.9
79.05044	4.3
79.05494	55.3
80.15067	1.8
81.03422	100.0
81.07059	39.1
83.04983	23.3
83.08633	17.9
85.02913	19.2
85.06558	4.8
86.09731	1.9
87.10994	2.2
88.54256	2.0
91.05479	45.4
93.07054	52.6
94.06563	2.1
95.04969	27.1
95.08610	16.4
97.02898	21.1
97.06522	13.7
97.10159	12.1
98.97572	2.2
99.04472	7.3
99.08086	2.8
103.05480	3.2
105.04522	2.7
105.07024	26.4
107.04950	10.9
107.08595	32.6
108.08144	5.5
109.02879	16.9
109.06538	8.5
109.10155	11.0
111.04460	14.4
111.08079	11.5
115.05442	2.9
117.07037	11.0
119.08575	19.9
121.06535	7.7
121.10145	13.8
123.08076	2.6
123.11668	3.4
125.09651	5.9
127.03937	15.5
129.05519	2.1
129.06981	9.7
131.04988	2.6
131.08548	14.2
133.06487	5.7
133.10146	17.7
135.08073	5.5
135.11707	30.6
136.07600	7.7
136.98895	1.9
137.05995	3.0
137.09610	3.7
143.08578	4.8
144.10760	2.1
145.06532	4.3
145.10135	12.9
147.08047	3.3
147.11687	13.3
149.09645	5.4
151.11118	2.2
153.12799	4.6
157.10135	11.6
159.16275	1.6
163.07602	2.7
163.11179	14.0
165.12726	4.8
167.07121	3.7
171.11702	3.4
173.09634	2.7
175.11185	12.4
177.12798	2.6
181.12260	14.5
185.13283	2.9
187.11243	2.4
189.11290	2.4
191.10696	8.4
193.12270	31.5
211.13303	47.2
211.15218	2.7
226.31117	2.0
227.12869	8.1
231.13852	2.4
255.15981	11.7
265.09775	2.2
267.16171	5.1
277.09833	2.4
283.15552	4.1
285.17014	3.8
325.16696	4.2
337.16498	4.1
340.14847	2.2
355.17709	11.8
355.22568	4.3
381.19089	2.6
382.15717	2.6
411.20380	3.2
421.25894	3.3
428.15942	3.9
429.26266	2.9
447.27573	22.4
465.28558	11.0
470.17133	5.4
487.17419	10.9
488.18210	43.4
489.28983	2.4
591.31610	5.6
609.24744	3.2
609.32715	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.1
55.01857	1.7
55.05505	2.4
56.05027	2.6
60.04499	1.9
63.39233	1.5
67.05502	14.3
68.30051	1.2
69.03424	3.7
69.07046	5.3
70.66088	3.4
70.66455	1.5
71.04989	3.6
75.90268	1.2
79.05491	12.2
80.05018	2.2
81.03396	3.2
81.05755	1.6
81.07057	16.7
81.31069	1.2
82.06570	2.7
83.08611	2.8
85.02907	2.2
85.06538	2.2
87.04459	3.2
91.05510	6.6
93.07036	20.5
94.06570	16.6
95.04957	3.8
95.08047	2.3
95.08612	30.9
96.08123	2.2
97.06542	6.5
97.10154	2.1
103.05435	1.8
105.07027	12.9
107.07313	3.3
107.08558	1.2
108.08111	1.6
109.10146	3.8
110.09682	12.0
111.08076	13.3
113.02236	1.1
122.09669	34.8
123.08069	27.4
128.10718	29.2
136.07590	2.9
140.10698	100.0
141.09111	15.0
158.11781	7.1
193.12367	1.2
218.25450	1.2
225.22081	1.9
245.59175	1.2
268.42200	1.3
270.24246	4.2
362.30753	1.2
370.15326	1.4
374.30759	1.6
380.31427	9.2
392.31683	16.1
410.32648	98.5
411.32736	1.2
428.33624	8.5
470.16925	1.4
487.17249	3.8
488.18048	9.5
635.34857	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4008
Annotation	Roseocardin
Peak:m/z	Relative Intensity
53.03929	2.0
55.01864	2.2
55.05521	4.2
55.16195	0.7
56.05029	1.9
57.07064	1.1
60.04520	1.6
65.03913	1.3
67.05510	16.0
69.03445	4.6
69.07066	4.9
70.06605	1.1
70.89520	2.5
71.04978	3.3
79.05045	1.0
79.05494	12.6
80.05017	2.4
81.03414	2.7
81.05800	1.6
81.06630	1.3
81.07059	16.5
82.06583	4.4
83.08612	3.2
85.02882	1.7
85.06534	1.2
87.04457	2.3
91.05473	6.0
93.07047	22.3
94.06572	16.3
95.04973	2.6
95.08037	1.6
95.08616	25.8
96.08127	1.8
97.02856	1.4
97.06516	5.7
97.10133	2.3
103.05459	1.1
105.07037	9.3
107.07351	2.6
107.08560	1.6
109.10149	3.2
110.09690	8.7
111.08080	14.2
111.11684	0.9
122.09679	35.8
122.10571	1.9
123.08080	26.8
123.11686	1.6
127.03881	1.4
128.10722	31.9
135.11650	0.9
140.10709	100.0
141.09123	12.8
158.11749	9.1
177.48880	0.9
207.20988	1.1
212.37242	0.9
225.22075	1.4
270.24326	6.4
271.83975	0.9
362.30765	1.4
374.30716	1.9
380.31665	10.0
392.31561	14.6
410.32675	92.8
411.32782	1.6
428.33676	10.0
446.17667	1.0
608.34436	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1607
Annotation	Vitexin 2''-O-(E)-ferulate
Peak:m/z	Relative Intensity
64.07327	0.1
67.01876	0.7
68.99805	0.4
69.03424	0.4
69.52497	0.1
70.85259	0.4
81.03420	1.0
85.02900	0.3
89.03919	1.5
91.05483	0.6
95.08605	0.2
97.02869	0.2
109.02869	0.5
117.02605	0.2
117.03389	3.4
119.04932	2.1
121.02873	0.9
129.01851	0.3
134.03658	0.2
135.08076	0.1
140.56963	0.2
145.02844	11.6
149.05998	1.2
153.01839	6.9
163.03903	0.7
171.02910	1.1
175.96997	0.1
177.05475	24.9
194.57236	0.1
199.88531	0.1
203.07089	0.4
209.25977	0.2
225.05470	0.6
229.04982	0.4
243.06506	0.6
271.06012	100.0
272.06421	1.2
321.09784	1.8
339.10773	1.0
397.95364	0.2
408.32651	0.2
538.74188	0.2
609.22614	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.05514	5.2
56.05030	3.0
57.03453	0.8
57.10585	0.8
60.04505	1.5
64.85128	0.8
67.05164	1.1
67.05505	16.0
69.03432	4.1
69.07052	3.4
69.62202	6.0
70.06606	1.1
71.04980	2.5
79.05059	1.1
79.05493	12.2
80.05016	3.1
81.03397	3.5
81.05791	2.0
81.07056	15.2
82.06586	3.8
83.04993	1.5
83.08614	3.0
83.19061	0.8
85.02906	1.6
85.06519	1.7
86.08189	0.7
87.04484	2.4
91.05476	5.7
93.07043	20.2
94.06567	16.5
95.04966	2.4
95.08607	26.3
95.09220	1.6
96.08131	3.5
97.06538	6.7
97.10170	1.6
98.20778	1.6
98.97620	0.8
99.04465	0.8
103.05448	1.5
105.07022	10.6
106.06441	0.9
107.07362	2.0
107.08646	1.0
109.10143	4.1
110.09670	11.6
111.08086	11.7
111.11725	1.1
112.82185	0.8
118.41259	0.8
119.08574	1.6
122.09671	36.9
123.08074	29.2
123.11698	1.3
128.06332	0.9
128.09766	1.9
128.10721	34.1
131.08630	1.0
132.67397	0.9
133.10204	1.0
137.05981	0.9
140.10704	100.0
141.09094	13.3
158.11761	9.8
207.21097	1.3
225.22203	2.0
252.23206	1.0
270.24194	5.0
324.90063	0.8
332.90298	0.9
348.15106	1.0
362.30365	1.7
380.31567	10.0
392.31552	13.8
410.32663	100.0
411.33008	1.3
428.33817	10.7
608.33234	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.01857	0.9
56.05034	0.8
56.96523	0.7
57.03432	0.9
57.11512	0.6
58.40705	0.6
58.64362	0.7
65.03940	1.3
67.05479	1.1
69.03424	2.6
69.86274	2.6
70.06598	1.2
72.08136	0.9
72.27406	0.8
81.03419	4.1
81.07043	1.0
82.06550	1.5
83.59068	0.6
84.08176	0.6
85.02897	2.7
86.09692	2.5
88.89767	0.6
91.05480	9.3
94.87473	0.6
96.08122	0.9
96.45038	0.7
97.02912	0.8
97.08915	0.7
98.09684	0.7
98.21391	1.0
98.97639	0.7
105.07082	0.7
107.08543	0.8
109.02874	1.8
110.07137	1.0
110.09676	1.1
113.83652	0.7
119.04946	22.5
119.08611	0.6
122.09647	0.8
124.11229	70.6
127.03921	1.7
136.11194	0.9
137.05989	1.2
140.07079	0.8
140.10701	1.0
147.04410	100.0
147.72408	0.7
150.09117	1.1
152.10698	19.0
153.01830	1.1
163.03949	0.8
163.09920	1.5
164.07039	1.3
164.10721	12.0
165.05542	3.3
166.08614	1.5
176.07086	0.8
176.10670	1.9
177.05611	0.8
180.10214	2.9
181.11046	0.8
182.11708	2.2
190.08682	1.0
190.12206	1.1
192.10149	1.3
194.11795	1.0
204.10220	2.7
210.11246	0.6
212.12776	1.1
218.11743	6.0
220.09645	0.9
222.07642	2.0
222.11237	1.2
236.12782	1.1
240.12337	2.9
242.91342	0.7
246.11339	4.5
248.16522	0.9
254.13936	2.7
254.23303	0.7
264.12320	35.0
265.12668	0.7
276.12497	0.9
282.13351	24.7
287.05423	0.8
291.08655	3.5
300.14426	40.4
309.06686	0.8
309.09726	4.7
337.53561	0.7
382.49713	0.6
410.16110	0.7
462.87073	0.7
533.20636	0.7
608.22894	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.4009
Annotation	Roseocardin
Peak:m/z	Relative Intensity
51.02395	0.7
53.03938	2.5
53.90257	0.6
55.01862	0.7
55.05517	4.3
56.05026	2.7
57.03440	0.7
57.07063	0.9
60.04500	1.1
65.03918	0.8
67.05507	15.2
68.05022	0.6
69.03453	3.6
69.07066	4.2
69.97783	0.5
70.06578	0.5
70.11629	0.5
71.04991	2.7
79.05493	11.8
79.81898	0.6
80.05020	2.1
81.03414	2.0
81.05805	1.8
81.07055	15.1
82.06568	3.9
83.04977	0.6
83.08599	2.4
85.02895	1.3
85.06540	1.8
86.67144	0.6
87.04458	2.6
91.05488	5.2
93.07050	21.3
94.06564	14.9
95.04964	3.2
95.08606	28.9
96.08119	1.8
97.02876	0.7
97.06538	5.3
97.10161	1.0
103.05476	1.2
105.07029	11.6
107.07326	2.8
109.10163	3.9
110.09689	9.1
111.08081	13.7
111.11724	1.4
116.12490	0.6
122.09669	34.9
123.08067	29.6
123.11683	1.9
125.97781	0.6
127.03913	0.7
128.10721	31.3
135.11644	0.7
137.13271	0.6
140.10703	100.0
141.09109	17.7
158.11771	6.8
171.63701	0.6
207.21112	0.9
225.22107	2.0
230.14983	0.7
252.23122	0.7
270.24301	6.8
288.25229	3.7
314.26776	1.4
362.30930	0.9
380.31680	8.0
392.31625	9.6
410.32651	60.2
411.32645	0.8
428.33737	35.7
429.34152	0.6
498.27914	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3477
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	2.1
52.22118	1.4
53.03945	11.9
53.60785	1.7
55.01862	4.9
55.05518	24.0
57.03431	8.8
64.28687	1.3
65.03944	4.3
65.30930	1.4
67.05509	66.8
69.03434	15.1
69.07070	21.6
69.45838	8.6
69.59022	1.3
71.01349	1.6
71.04994	7.7
77.33575	1.4
79.05499	50.4
81.03423	68.9
81.07059	90.2
83.04990	15.3
83.08624	17.7
85.02907	6.9
85.06551	6.0
91.05483	36.3
93.05404	1.8
93.06459	3.0
93.07051	61.5
95.04982	10.1
95.08611	24.2
95.23432	1.3
97.02894	12.7
97.06522	12.5
97.10206	2.7
99.04469	6.7
99.08108	2.7
105.04554	1.8
105.07034	20.8
105.76862	1.5
107.04980	4.5
107.08596	31.5
109.02883	10.7
109.06541	2.9
109.10168	5.4
111.04459	9.1
111.08092	6.0
117.07020	13.4
119.08561	10.4
121.06499	5.9
121.10139	16.9
123.04440	1.7
123.08131	2.9
123.11710	6.4
127.03944	7.6
129.07021	5.0
131.04871	2.2
131.08574	15.4
133.06512	3.0
133.10141	12.2
135.08118	3.3
135.11719	12.3
143.08615	4.3
145.10129	4.7
147.08076	1.7
147.11688	14.6
149.09665	1.6
149.13268	21.2
151.11186	2.1
155.08537	3.6
157.10208	2.6
159.08121	1.5
159.11716	16.7
161.13280	1.6
165.12807	4.5
167.14301	1.9
169.10204	2.1
173.04492	2.9
175.11147	2.5
177.12790	9.5
183.06523	2.3
185.13286	2.4
195.13799	20.8
213.14920	4.3
215.14330	1.8
219.13943	2.2
243.13983	1.7
257.15582	1.9
257.39551	1.6
267.16043	6.8
269.17487	12.9
285.14847	3.4
287.16434	1.8
302.05655	1.6
303.16245	1.8
321.17020	6.2
339.18100	13.5
371.25919	1.6
377.19720	1.8
395.20663	11.2
445.29544	6.6
463.30539	12.1
485.15372	2.1
533.31628	2.1
571.32391	2.4
589.33508	3.3
607.34802	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07976	1.5
53.03952	13.4
55.01872	5.2
55.05515	26.6
57.03433	7.8
57.07057	2.6
60.91254	1.4
62.50594	1.5
65.03936	4.9
66.55815	1.6
67.05507	74.8
67.05869	4.0
69.03436	19.1
69.07076	23.3
69.47540	13.6
71.01357	2.9
71.04993	6.2
79.05497	55.2
81.03422	76.2
81.07057	100.0
83.04992	13.9
83.08623	17.3
83.22233	1.7
85.02915	9.6
85.06546	7.0
91.05480	39.1
93.07047	65.8
95.04977	12.6
95.08611	31.4
97.02908	11.1
97.06535	10.5
97.10174	2.0
99.04465	5.8
99.08105	3.3
103.05618	1.5
105.07037	21.7
107.04955	4.9
107.08601	31.6
109.02898	13.3
109.06522	6.3
109.10161	4.6
111.04456	12.2
111.08092	7.3
113.06033	2.1
115.05481	2.1
117.07025	13.3
119.04929	2.0
119.08589	10.5
121.06515	3.4
121.10143	17.9
123.08102	3.6
123.11687	8.0
127.03896	8.3
129.06993	4.9
131.08559	17.9
133.06552	2.2
133.10139	19.2
135.08087	2.7
135.11729	13.5
141.07010	1.6
143.08575	3.0
145.06511	2.8
145.10109	3.0
147.08087	2.3
147.11670	12.4
149.09581	2.1
149.13263	24.8
151.11214	2.2
155.08629	2.8
157.10146	2.7
159.08009	2.5
159.11703	15.0
161.13309	2.8
163.11197	2.1
165.12773	5.1
167.14333	1.9
169.10071	1.8
171.11688	2.1
173.04594	2.1
173.06023	1.8
173.13322	1.9
175.11250	2.7
177.12724	11.2
179.14357	2.0
183.06645	1.6
195.10049	1.7
195.11992	3.4
195.13785	29.0
197.13292	2.3
203.14233	1.6
213.14853	3.9
219.13812	1.5
226.32191	1.9
233.15480	2.5
255.65327	1.9
257.15350	2.9
261.14893	3.7
267.16028	5.3
269.17514	11.6
275.16400	2.7
285.14728	2.9
297.17123	2.9
303.15955	3.3
311.18695	2.0
321.17072	6.0
332.79236	2.0
339.17999	14.8
359.18863	1.6
359.69962	1.7
371.25781	1.8
377.19675	4.3
395.20694	21.5
463.30371	11.2
589.33563	4.5
607.34784	96.0
608.34595	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	607.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	9.6
55.01876	3.1
55.05515	19.6
57.03442	6.9
57.07065	1.5
65.03939	3.9
67.05510	68.2
69.03439	13.7
69.07069	23.2
69.47800	2.6
69.48205	7.7
70.86090	1.4
71.04996	7.6
72.84686	1.1
79.05503	49.4
81.03423	63.8
81.07063	89.7
83.04995	14.3
83.08630	15.5
85.02909	5.7
85.06536	4.9
91.05486	33.1
93.07051	61.4
95.04984	8.6
95.08617	25.1
97.02898	10.3
97.06542	12.5
99.04466	4.5
99.08100	4.6
103.05447	1.6
105.04536	1.6
105.07036	18.3
107.04948	3.4
107.08599	33.4
107.09286	2.6
109.02892	12.7
109.06518	4.0
109.10157	4.7
111.04462	9.8
111.08078	6.2
115.05495	2.5
117.07008	10.4
119.08602	8.5
121.06509	4.8
121.10149	20.5
123.04473	1.8
123.08092	3.2
123.11723	5.6
127.03910	8.1
129.07040	3.8
131.08572	13.2
133.06541	2.3
133.10126	14.5
134.88045	1.2
135.08060	2.5
135.11723	7.8
137.06046	2.0
141.07059	1.5
143.08659	1.5
145.06523	2.3
145.10156	2.5
147.08067	1.4
147.11682	11.5
149.09613	2.6
149.13274	30.9
150.01709	1.5
155.73431	1.2
157.10104	1.7
159.08080	1.7
159.11703	17.2
165.12776	3.8
175.11259	1.4
177.12740	10.3
183.06506	1.5
191.07010	1.4
195.13820	22.8
213.14915	4.6
219.13885	1.6
243.13788	1.4
253.18121	1.5
257.15598	2.0
261.14905	1.9
267.15997	4.0
269.17484	13.6
275.16415	2.0
303.15942	2.5
311.18634	1.7
321.17075	4.2
339.18033	17.0
350.17389	1.5
377.19705	4.0
395.20660	15.7
412.60193	1.3
463.30597	13.0
479.30164	2.1
539.47986	1.3
589.33765	3.9
607.34821	100.0
608.35376	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	607.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02400	1.5
52.68590	1.1
53.03957	11.4
55.01876	7.2
55.05511	24.0
57.03440	8.2
57.07064	1.9
61.02940	1.3
65.03937	5.5
65.49192	1.4
67.05506	68.3
69.03432	18.2
69.07072	19.9
71.01353	2.0
71.05001	9.7
71.50740	2.4
79.05494	53.0
81.03418	77.5
81.07056	98.2
83.01381	1.6
83.04984	15.5
83.08614	17.3
85.02899	8.9
85.06548	5.1
91.05483	39.4
93.07045	60.6
95.04967	13.0
95.08607	28.2
97.02891	12.7
97.06531	9.8
97.10163	3.0
99.04465	5.3
99.08095	4.4
105.04554	1.6
105.07019	22.4
107.04969	6.9
107.08588	37.0
109.02885	13.8
109.06522	5.6
109.10176	5.2
111.04449	8.0
111.08086	8.0
115.05453	1.9
117.06999	14.0
118.09467	1.4
119.08582	12.0
121.06522	5.9
121.10143	21.6
121.86612	1.4
123.04402	1.9
123.08092	3.5
123.11713	7.5
127.03903	9.5
129.05539	1.2
129.07004	5.4
131.04965	1.5
131.08571	17.6
133.06488	1.9
133.10129	17.5
135.08057	3.3
135.11700	11.0
137.05980	1.4
143.08583	3.5
145.06525	2.7
145.10136	4.0
147.04396	1.9
147.08089	2.2
147.11667	11.4
149.05901	1.3
149.09648	2.0
149.13249	26.6
151.11281	1.6
157.10173	4.6
159.08089	1.9
159.11716	14.4
161.09680	2.8
161.13237	2.8
165.12766	6.3
169.10141	1.4
171.11722	1.9
177.12775	10.3
183.06549	2.7
195.13783	21.0
197.13385	1.7
213.14896	5.2
219.13756	1.5
233.15353	2.1
235.13274	1.8
249.14798	1.8
267.16119	6.7
269.17499	12.6
275.16428	2.9
293.17657	1.6
297.17188	2.8
301.14194	1.4
303.15982	3.3
321.16882	8.3
339.18063	13.9
377.19357	3.3
395.20593	14.1
463.30548	15.4
471.32349	1.5
529.31427	1.6
571.32086	1.7
589.33472	6.2
607.34760	100.0
608.35046	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
52.19562	0.4
57.66992	0.4
70.85529	1.1
84.65807	0.4
87.61387	0.4
115.56671	0.4
116.20544	0.4
120.82642	0.4
128.87216	0.4
194.88202	0.4
199.29045	0.4
347.94321	0.4
355.08862	0.4
387.16318	0.6
388.16901	0.6
389.17886	0.8
401.17847	0.8
402.18494	1.3
403.19250	2.9
404.20364	0.7
405.20691	1.5
415.19656	0.7
416.20041	0.8
417.16299	0.9
417.21274	3.6
418.21564	1.8
419.22412	2.9
430.17505	0.6
430.22528	0.5
431.18167	7.1
431.23495	0.7
432.19327	1.7
433.24106	6.5
434.24652	1.1
444.19101	0.7
445.19855	8.1
446.20776	3.6
447.21750	3.9
459.21521	3.6
460.22540	8.1
460.28885	0.6
461.23331	7.5
473.23706	2.1
474.24283	1.0
487.24841	1.4
491.24454	0.7
505.21698	2.2
506.26541	0.5
519.23730	1.1
532.24316	0.5
547.27045	18.8
579.29706	0.8
607.29144	100.0
608.29950	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2915
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
60.78054	0.4
71.28201	0.7
71.28560	0.7
85.28631	0.4
90.57509	0.4
112.38116	0.4
126.39833	0.5
128.63261	0.5
164.75203	0.4
196.93279	0.5
200.13211	0.5
287.81464	0.6
314.37759	0.5
389.17798	0.9
402.18417	1.7
402.94775	0.5
403.19226	3.8
404.19968	1.3
405.20804	1.7
416.20200	1.1
417.15967	0.7
417.21268	4.2
418.21677	2.4
419.22385	4.3
430.17438	1.0
431.18082	7.1
432.18945	0.8
432.23749	0.9
433.24008	10.4
434.24734	1.5
445.19708	8.8
446.20654	4.5
447.21793	4.7
459.21457	4.4
460.22528	14.7
461.23340	16.4
462.24609	0.6
473.23462	3.1
474.24335	1.1
487.25192	2.2
491.25473	0.6
492.25314	0.8
505.21283	2.2
515.24036	0.7
518.23206	0.6
519.27252	2.7
532.24792	0.9
547.27069	53.3
548.27240	1.0
559.66052	0.5
578.25281	0.6
579.29547	1.5
607.29150	100.0
608.29462	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2366
Annotation	Woorenoside II
Peak:m/z	Relative Intensity
54.56102	0.7
71.61511	0.8
78.54305	0.5
85.02906	0.7
86.44360	0.5
96.32839	0.5
110.09698	0.6
111.04252	0.8
124.11227	0.9
149.45645	0.6
153.01811	1.6
189.05229	19.8
190.06042	2.4
231.69196	0.7
268.05264	0.6
321.09497	0.6
381.11447	0.8
409.11295	0.6
429.15341	1.8
444.17648	2.3
445.18430	13.2
448.34631	0.6
587.83258	0.7
602.94824	0.7
607.23639	100.0
608.23901	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	607.255
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
51.36048	0.3
98.21528	0.5
113.24504	0.3
116.23045	0.3
125.95968	0.3
171.18297	0.4
223.12375	0.4
276.93845	0.3
322.13226	0.4
342.85214	0.4
373.14960	0.5
375.15991	0.9
387.16031	0.7
388.16806	0.4
389.17581	2.7
390.18567	1.1
391.19370	0.8
402.14087	0.5
402.18533	0.9
403.19434	4.1
404.19998	1.7
405.20773	3.0
406.21368	0.3
415.19702	0.3
416.16348	1.1
417.16223	3.4
417.21216	1.7
418.17679	0.9
418.22256	0.6
419.22446	6.0
420.23001	0.8
429.16739	0.5
430.17529	0.8
430.22531	0.4
431.18359	7.3
432.19275	3.1
433.20163	2.9
435.21741	0.5
444.19278	0.3
445.20102	4.8
446.21008	7.6
447.21768	8.1
459.17230	0.8
459.22067	1.4
460.18225	0.6
460.23642	0.5
461.19434	2.0
462.24194	0.7
473.19269	0.3
473.24347	0.7
474.20526	5.4
475.21127	4.4
477.23190	0.7
478.23746	0.5
487.21481	2.0
490.24207	0.7
491.20166	2.8
501.23126	1.0
504.21460	0.4
505.22260	0.7
506.23184	0.5
519.24103	15.2
520.24048	0.4
533.21820	0.4
547.23419	11.0
548.23517	0.5
551.26477	0.3
561.25232	0.7
579.25995	5.6
607.25525	100.0
608.25745	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	605.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	0.7
57.07077	0.7
65.71538	0.6
67.05501	1.3
67.44851	0.5
69.07061	0.7
71.08640	0.7
71.34689	0.7
79.05472	1.0
81.07050	1.8
83.01105	10.2
87.70498	0.5
87.88969	0.6
91.05479	1.3
93.07069	1.1
95.08610	1.5
101.90763	0.6
105.07018	1.7
109.31392	0.6
111.04214	1.4
112.05025	0.6
119.08620	1.4
121.10188	0.7
121.13071	0.5
127.03696	4.2
133.10146	1.1
144.03957	0.9
148.46541	0.6
149.09631	1.0
155.06824	2.1
164.70993	0.6
171.06329	3.5
199.09390	0.9
201.11014	0.7
212.14227	0.7
275.20108	2.0
337.15845	1.2
367.16577	0.9
409.19928	2.8
413.18820	4.3
428.21106	2.6
485.22977	2.3
501.26349	1.1
587.46838	0.9
605.32373	100.0
606.32446	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	605.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	3.4
53.03952	17.0
55.01874	18.0
55.05289	3.6
55.05509	34.8
57.03441	15.7
57.07047	2.7
62.45686	2.5
65.03938	6.2
67.05508	86.2
69.03439	22.6
69.07072	22.0
70.13862	12.8
71.01338	3.5
71.04975	7.2
79.05055	3.8
79.05496	75.3
81.02977	4.9
81.03421	76.0
81.07063	100.0
83.04998	21.0
83.08625	26.6
84.56553	2.7
85.02911	20.3
85.06548	5.9
91.05482	75.6
93.07049	69.2
94.14316	2.8
95.04973	63.4
95.08604	35.4
97.02902	21.4
97.06515	10.9
97.10151	11.7
98.21395	3.3
99.04440	3.7
100.48192	3.0
103.05472	4.4
105.03402	3.1
105.07039	52.5
107.04364	2.9
107.04969	24.8
107.08590	42.1
109.02892	29.2
109.06517	14.4
109.10154	11.3
111.04437	15.0
111.08075	7.6
115.05447	9.5
117.07037	27.2
119.04945	8.5
119.08593	31.6
121.02863	6.5
121.06517	20.9
121.10146	19.9
123.04432	14.8
123.08064	8.8
123.11684	7.8
125.02333	4.2
125.09613	13.6
127.03896	8.0
128.06195	9.0
129.07034	19.0
131.04892	14.5
131.08569	31.3
133.06483	12.4
133.10130	22.6
135.08057	12.7
135.11676	16.2
137.05984	6.5
137.09625	3.5
141.06926	8.5
142.07683	3.3
143.08542	16.6
145.06503	17.0
145.10167	13.4
147.04398	11.0
147.08025	10.4
147.11705	21.9
149.05959	8.1
149.09587	9.5
149.13245	11.7
153.01918	2.8
153.09093	3.9
155.08563	10.2
157.06487	9.8
157.10138	12.5
159.08095	6.9
159.11685	11.9
161.05962	11.3
161.09605	8.5
161.13260	6.1
163.07614	3.9
163.11221	16.9
165.09097	5.0
165.12744	6.0
167.08574	6.0
169.06395	3.0
169.10103	8.0
171.04469	2.9
171.08084	7.4
171.11700	4.8
173.05998	10.0
173.09639	5.5
175.11172	12.7
177.12695	6.5
181.10103	4.0
183.08031	6.2
185.09651	7.5
185.13326	5.6
187.07541	5.0
187.11136	3.8
189.05435	8.0
189.09140	5.2
189.11163	5.3
189.12830	3.8
193.12221	13.1
195.08058	3.8
195.13797	14.5
199.07613	4.8
199.11182	3.5
205.12157	7.0
207.13765	3.4
209.13286	3.7
211.13249	13.2
213.12688	3.6
219.13779	2.9
223.13309	3.9
227.12627	3.6
231.13693	3.9
235.13246	8.4
237.12764	3.2
239.14427	3.9
245.15381	4.2
249.14813	5.0
255.13797	7.1
257.15259	5.0
259.13361	4.1
261.14941	3.4
267.15897	10.0
269.17511	23.0
271.13177	3.9
273.14850	35.7
277.14365	3.0
283.13104	5.5
285.10229	5.1
285.14587	4.7
289.14151	3.6
291.15884	5.0
301.14334	41.5
303.15884	7.0
319.15353	19.7
321.16956	4.1
337.16385	5.6
363.17822	3.4
375.18036	12.3
380.58789	2.8
393.18997	12.7
395.20331	3.1
443.27969	3.9
461.28925	4.5
477.26279	4.6
479.29868	5.3
495.27472	3.8
513.28113	5.4
539.29303	3.2
541.31226	3.2
545.30676	6.5
551.29730	8.0
557.31140	8.3
569.31219	37.1
587.32068	39.8
605.33240	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.8
53.09986	3.0
55.05518	15.5
56.96558	5.3
57.03429	14.4
57.07064	5.4
61.02920	7.6
67.05511	29.5
69.03431	17.4
69.07072	17.6
70.06570	3.3
71.61589	4.4
72.60390	3.2
73.02920	31.7
77.59851	3.1
79.05494	24.3
81.03416	9.1
81.07059	45.9
83.08621	13.7
85.02909	8.4
85.06542	3.4
85.69796	3.1
91.05476	25.7
93.07050	49.1
95.04975	12.3
95.08606	80.4
97.02898	8.2
97.06537	11.2
97.10184	6.6
103.05463	4.6
105.06329	2.6
105.07027	59.0
105.07678	6.0
107.04935	4.0
107.08588	77.1
109.06525	8.0
109.10152	44.4
111.08109	4.4
112.07657	3.9
115.03927	6.5
117.07002	12.9
119.08585	100.0
121.06562	6.5
121.10152	58.0
123.08093	9.0
123.11691	16.5
125.06018	4.5
125.09650	17.9
127.03959	4.6
129.06999	6.0
131.08574	40.2
133.10139	76.5
135.11707	29.6
137.09579	4.4
140.07080	3.6
141.06902	3.4
143.08571	12.9
144.09395	3.8
145.10135	65.9
147.04375	3.9
147.11685	26.5
149.09633	10.6
149.13264	17.3
151.11174	4.8
153.09122	4.8
157.10159	18.8
158.10901	4.9
159.07938	3.3
159.11694	59.1
161.13277	54.2
163.07550	4.3
163.11194	6.7
163.14781	13.0
165.09123	8.2
169.10141	7.6
171.11731	14.4
173.09575	5.8
173.13266	31.7
175.14830	41.6
177.09100	10.6
177.16415	11.7
181.05005	3.8
182.26060	3.0
183.11630	4.3
185.13297	6.2
187.14832	78.4
187.16437	6.4
189.16379	39.2
191.14371	4.8
191.17935	20.1
193.15958	5.4
195.11693	4.8
197.13246	9.8
198.11278	4.9
199.14850	16.0
201.16405	89.5
203.17903	15.8
205.15904	4.9
211.14810	4.0
213.16425	18.1
215.17941	32.9
217.19479	5.4
219.17430	34.8
225.16267	4.9
227.18011	6.4
229.15869	5.8
229.19492	5.5
231.17354	8.7
233.18875	7.8
235.17020	12.5
237.18559	4.6
239.17917	5.0
241.19521	4.7
247.16922	46.9
253.19547	4.7
259.16815	3.6
261.18561	13.1
267.21234	5.1
281.22668	6.7
283.24142	4.0
285.18311	4.2
293.22806	3.8
295.24298	5.2
309.25616	3.6
311.23776	5.0
327.23190	14.7
334.73706	3.4
349.28705	3.9
389.32025	13.9
395.29434	8.6
407.33136	60.6
409.70834	3.3
425.34012	11.7
430.20642	3.9
435.32504	44.0
441.25781	4.1
453.33685	35.6
585.29041	3.2
603.30817	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	9.8
55.01649	2.2
55.01869	15.0
55.05249	2.8
55.05512	37.7
56.96574	3.8
57.03429	10.7
59.04999	3.0
67.05505	50.1
69.03450	14.6
69.07069	11.4
69.33630	2.4
70.01488	2.5
70.26195	9.0
71.04993	10.4
79.05497	51.9
81.02966	4.7
81.03423	81.2
81.03903	4.1
81.07065	51.8
83.04984	23.6
83.08619	23.4
85.02414	3.8
85.02902	38.2
85.06519	4.7
91.04999	1.8
91.05481	58.2
93.07049	39.4
95.04974	63.9
95.08607	24.0
97.02872	6.8
97.06542	9.4
97.10181	15.1
97.61678	2.5
98.20875	3.0
99.04474	4.1
101.06042	2.5
103.03995	3.3
103.05482	6.9
105.03405	2.8
105.07032	49.1
107.04961	22.9
107.08594	27.1
109.02866	20.6
109.06532	9.0
109.10152	12.6
111.04441	16.1
111.08104	9.1
113.06024	4.5
115.05445	14.3
117.07018	24.5
119.04971	12.3
119.08575	31.9
121.02871	12.1
121.06510	15.9
121.10159	14.1
123.04439	8.9
123.08068	8.1
123.11729	4.6
124.11220	2.7
125.09634	9.8
127.03928	12.4
128.06242	7.5
129.07028	27.8
131.04941	17.2
131.08574	26.9
133.06500	18.6
133.10138	17.2
135.08067	9.1
135.11691	8.5
137.02396	5.8
137.05980	7.8
137.09618	5.7
141.07039	5.8
142.07777	3.5
143.08589	9.1
145.06499	22.6
145.10155	13.9
147.04398	17.0
147.08086	10.3
147.11720	18.9
149.06012	9.7
149.09671	13.1
151.07591	3.6
153.01836	5.7
153.12766	6.7
155.08594	9.5
157.06523	9.5
157.10165	12.8
159.04466	3.5
159.08092	13.7
159.11757	3.9
160.05263	3.6
161.05992	28.0
161.09665	6.6
163.07501	4.5
163.11188	12.5
165.09267	2.6
165.12808	4.2
167.08690	3.7
169.06476	4.0
169.10178	4.5
171.08112	9.9
171.11620	3.8
173.05998	32.6
173.09636	5.3
174.06747	5.6
175.03906	5.3
175.07564	5.3
175.11243	10.2
177.05563	4.4
181.04962	3.6
181.06471	2.9
181.10298	2.4
181.12262	6.8
183.08020	5.7
183.11711	3.1
185.05995	3.4
185.09665	6.8
186.06783	4.3
187.07538	16.8
187.11285	2.7
189.05492	35.4
189.09122	7.5
189.11217	5.9
191.07065	3.1
191.10657	7.0
193.10365	3.8
193.12250	44.3
199.07539	2.9
199.11224	2.6
201.09158	3.5
203.07027	4.3
209.09746	3.4
211.07765	3.1
211.11328	5.5
211.13261	43.4
211.15166	3.4
213.12686	3.7
215.14319	2.5
225.12848	3.1
227.12816	8.1
227.14662	4.5
229.12239	4.0
231.13805	2.9
241.12198	5.4
245.15405	3.2
255.13881	10.3
257.15366	7.7
259.13281	5.5
267.15900	11.2
269.12698	2.4
271.06073	4.6
271.13293	5.3
273.12225	4.7
273.14853	31.2
283.13098	18.6
285.10153	5.6
285.14761	8.2
285.17392	22.1
287.05579	6.8
287.16190	2.6
289.14572	8.3
297.14944	3.5
301.14340	100.0
303.15955	7.0
319.15442	22.4
335.16043	2.6
341.17593	6.4
375.18027	24.9
393.19122	11.9
395.26605	2.7
447.25546	4.5
459.27374	3.9
475.24973	4.6
493.25757	4.1
511.27100	7.7
529.28259	3.9
549.29486	3.1
555.29089	2.8
557.32074	3.2
567.29602	10.9
573.30719	21.2
585.30688	88.6
603.31689	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	603.3162
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03937	9.8
55.01649	2.2
55.01869	15.0
55.05249	2.8
55.05512	37.7
56.96574	3.8
57.03429	10.7
59.04999	3.0
67.05505	50.1
69.03450	14.6
69.07069	11.4
69.33630	2.4
70.01488	2.5
70.26195	9.0
71.04993	10.4
79.05497	51.9
81.02966	4.7
81.03423	81.2
81.03903	4.1
81.07065	51.8
83.04984	23.6
83.08619	23.4
85.02414	3.8
85.02902	38.2
85.06519	4.7
91.04999	1.8
91.05481	58.2
93.07049	39.4
95.04974	63.9
95.08607	24.0
97.02872	6.8
97.06542	9.4
97.10181	15.1
97.61678	2.5
98.20875	3.0
99.04474	4.1
101.06042	2.5
103.03995	3.3
103.05482	6.9
105.03405	2.8
105.07032	49.1
107.04961	22.9
107.08594	27.1
109.02866	20.6
109.06532	9.0
109.10152	12.6
111.04441	16.1
111.08104	9.1
113.06024	4.5
115.05445	14.3
117.07018	24.5
119.04971	12.3
119.08575	31.9
121.02871	12.1
121.06510	15.9
121.10159	14.1
123.04439	8.9
123.08068	8.1
123.11729	4.6
124.11220	2.7
125.09634	9.8
127.03928	12.4
128.06242	7.5
129.07028	27.8
131.04941	17.2
131.08574	26.9
133.06500	18.6
133.10138	17.2
135.08067	9.1
135.11691	8.5
137.02396	5.8
137.05980	7.8
137.09618	5.7
141.07039	5.8
142.07777	3.5
143.08589	9.1
145.06499	22.6
145.10155	13.9
147.04398	17.0
147.08086	10.3
147.11720	18.9
149.06012	9.7
149.09671	13.1
151.07591	3.6
153.01836	5.7
153.12766	6.7
155.08594	9.5
157.06523	9.5
157.10165	12.8
159.04466	3.5
159.08092	13.7
159.11757	3.9
160.05263	3.6
161.05992	28.0
161.09665	6.6
163.07501	4.5
163.11188	12.5
165.09267	2.6
165.12808	4.2
167.08690	3.7
169.06476	4.0
169.10178	4.5
171.08112	9.9
171.11620	3.8
173.05998	32.6
173.09636	5.3
174.06747	5.6
175.03906	5.3
175.07564	5.3
175.11243	10.2
177.05563	4.4
181.04962	3.6
181.06471	2.9
181.10298	2.4
181.12262	6.8
183.08020	5.7
183.11711	3.1
185.05995	3.4
185.09665	6.8
186.06783	4.3
187.07538	16.8
187.11285	2.7
189.05492	35.4
189.09122	7.5
189.11217	5.9
191.07065	3.1
191.10657	7.0
193.10365	3.8
193.12250	44.3
199.07539	2.9
199.11224	2.6
201.09158	3.5
203.07027	4.3
209.09746	3.4
211.07765	3.1
211.11328	5.5
211.13261	43.4
211.15166	3.4
213.12686	3.7
215.14319	2.5
225.12848	3.1
227.12816	8.1
227.14662	4.5
229.12239	4.0
231.13805	2.9
241.12198	5.4
245.15405	3.2
255.13881	10.3
257.15366	7.7
259.13281	5.5
267.15900	11.2
269.12698	2.4
271.06073	4.6
271.13293	5.3
273.12225	4.7
273.14853	31.2
283.13098	18.6
285.10153	5.6
285.14761	8.2
285.17392	22.1
287.05579	6.8
287.16190	2.6
289.14572	8.3
297.14944	3.5
301.14340	100.0
303.15955	7.0
319.15442	22.4
335.16043	2.6
341.17593	6.4
375.18027	24.9
393.19122	11.9
395.26605	2.7
447.25546	4.5
459.27374	3.9
475.24973	4.6
493.25757	4.1
511.27100	7.7
529.28259	3.9
549.29486	3.1
555.29089	2.8
557.32074	3.2
567.29602	10.9
573.30719	21.2
585.30688	88.6
603.31689	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	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75481	0.6
55.01878	0.8
69.03426	0.6
71.01553	1.2
71.01907	0.5
73.16164	0.5
78.04702	1.7
79.05491	2.9
85.02897	1.6
91.05463	1.1
95.04964	0.8
97.02871	1.2
103.05463	3.5
105.07040	4.1
106.04198	1.5
107.04966	6.7
109.02840	0.6
109.06541	0.9
109.88156	0.6
112.52466	0.6
115.05458	2.1
117.07024	2.0
119.04954	1.0
121.06519	1.5
123.04449	4.1
123.08092	0.7
124.05216	3.2
124.11248	4.0
125.06032	0.9
126.58879	0.5
129.06967	0.6
131.04927	5.5
131.08589	0.7
133.06491	5.1
134.03598	0.6
135.08067	1.1
136.23557	0.6
137.05986	3.0
141.07011	1.0
145.06468	2.8
147.04413	1.5
147.08087	0.6
151.03963	0.7
151.07538	3.7
152.04643	1.6
153.01814	1.1
158.07265	1.3
159.08047	1.6
160.05252	0.6
161.05989	5.9
163.07562	12.9
165.09081	0.9
167.07042	100.0
173.06003	1.3
173.09639	0.9
175.07591	1.6
177.09059	2.8
179.07019	3.2
180.08626	0.7
181.08647	3.9
187.07541	2.4
189.09216	0.7
193.08629	16.1
201.09093	1.7
205.08589	1.7
215.01332	0.6
217.08496	0.9
219.10170	3.2
233.11699	3.5
237.11203	2.6
251.12894	2.2
263.10638	0.8
291.10336	1.5
323.12900	1.6
355.15369	13.8
378.15109	0.6
387.18030	12.5
405.19107	22.8
587.41547	0.6
602.21155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53526	0.2
55.05502	0.8
65.03941	0.2
67.05491	0.6
68.05009	0.4
69.28312	0.2
69.53279	1.7
70.37398	0.2
79.05486	0.3
81.24997	0.2
82.06577	2.6
91.05502	0.3
96.08127	3.7
98.09673	0.4
98.21503	0.3
122.09679	0.2
124.11231	100.0
125.11572	0.5
145.06505	0.5
147.08043	2.1
153.01842	0.8
173.05954	0.4
191.06975	0.3
270.14972	0.9
288.16080	0.9
602.22260	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	602.2233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
55.75499	0.1
65.03934	0.2
67.05511	0.8
68.05025	0.4
71.09052	0.2
71.09380	0.1
79.05482	0.3
80.05017	0.2
81.03355	0.1
81.05774	0.2
81.07054	0.2
82.06578	3.0
83.07351	0.2
91.05475	0.4
94.06582	0.3
95.07348	0.1
95.08593	0.2
96.08131	3.3
98.09686	0.5
105.78014	0.2
107.05012	0.3
109.08881	0.2
117.07068	0.2
119.08600	0.4
122.09656	0.3
124.11232	100.0
125.11558	0.7
127.03929	0.2
134.98276	0.1
145.06493	0.6
147.08058	2.1
153.01831	1.1
165.30829	0.1
173.06018	0.3
191.07085	0.2
193.68466	0.1
229.02449	0.1
270.14847	0.9
288.15985	0.9
367.55496	0.1
572.24835	0.2
602.22321	7.8
603.22626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	3.0
53.03935	4.6
55.05506	14.9
56.83767	2.4
57.07070	9.4
60.91196	2.5
63.33909	2.5
67.05507	23.3
69.03436	7.1
69.07072	15.7
69.28628	24.8
79.05489	31.7
80.06277	3.0
81.07057	44.9
83.04977	6.2
83.08614	7.3
85.06561	5.2
89.06036	3.2
91.05476	44.1
93.07052	65.4
95.04969	28.8
95.08614	37.5
97.06520	4.1
103.05487	2.9
105.04517	2.5
105.07034	89.6
107.08597	45.8
109.06500	8.1
109.10177	25.9
111.08089	4.3
115.05432	6.7
117.07011	22.3
119.07774	5.9
119.08587	100.0
120.09408	5.4
121.06509	5.9
121.10155	48.8
123.08095	22.4
123.11705	12.3
128.06192	9.4
129.07016	18.9
130.07774	8.2
131.08571	43.6
132.09375	8.1
133.08586	5.1
133.10135	67.9
135.08061	10.4
135.11697	24.4
136.00687	2.8
137.09662	12.6
138.10381	7.5
139.11212	5.7
141.06981	6.5
142.07780	16.3
143.08554	36.4
144.09331	9.1
145.10136	77.2
146.10881	4.2
147.08049	9.3
147.11705	33.0
149.09625	7.6
149.13252	3.3
151.07582	8.6
151.11154	6.2
154.07809	3.2
155.08565	13.1
156.09387	13.3
157.10150	48.4
158.10933	6.7
159.08023	4.9
159.11697	41.6
161.09615	9.2
161.13261	14.3
163.11153	6.0
165.06966	5.1
165.09099	20.6
167.08574	7.6
167.10678	5.6
168.09358	8.6
169.10146	27.5
170.10910	7.5
171.11707	28.1
172.12360	5.3
173.09669	4.6
173.13297	25.8
175.11200	3.8
175.14821	22.9
177.12701	4.4
179.08591	9.0
181.10124	16.3
182.10939	8.6
183.11729	26.8
184.12468	4.2
185.13286	22.3
187.14827	9.9
189.12781	5.0
191.14246	6.1
193.10117	10.3
194.10927	8.8
195.11668	20.3
196.12541	6.7
197.13246	19.6
199.11160	3.6
199.14851	13.5
201.12776	5.1
201.16411	10.0
203.14319	9.5
206.10925	5.2
207.11760	8.2
208.12448	4.3
209.13268	22.3
211.14742	12.7
213.16412	7.7
215.14265	3.0
217.15718	3.7
219.17613	3.2
221.13290	6.7
221.15356	40.5
222.13811	4.3
223.14838	9.4
224.15547	4.4
225.16405	9.1
226.17155	3.8
227.14339	4.3
227.18010	3.9
235.14917	6.6
237.16350	6.4
239.17903	4.8
239.66064	3.1
241.19337	3.4
247.14737	3.4
251.17776	4.8
259.15012	3.2
261.16422	3.6
263.17850	5.7
265.19452	5.0
271.20648	4.5
275.17847	5.2
277.19492	4.2
283.20480	3.4
285.22211	3.6
291.21109	3.4
299.19946	3.2
300.25693	2.9
311.23660	3.1
323.23618	3.4
326.41592	2.7
338.26062	18.2
351.92065	2.9
363.26910	3.6
403.29938	4.7
430.32327	6.3
476.36621	14.5
491.34625	2.8
541.40131	5.8
568.42804	34.4
583.41211	6.6
601.42297	21.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.0
53.10979	1.1
55.05513	5.7
57.07074	7.8
59.04988	1.6
65.03936	1.2
67.05497	9.5
67.60798	1.3
69.03437	6.9
69.07084	6.3
71.05505	2.1
79.05496	10.9
81.03423	1.3
81.07061	15.5
83.04970	3.4
83.08606	1.7
85.06538	3.5
91.04945	2.0
91.05481	20.3
93.07047	33.3
95.04976	6.5
95.08619	14.5
97.06521	1.7
103.05451	1.5
105.06367	2.0
105.07042	30.7
107.08587	17.5
109.06525	8.9
109.10164	8.6
111.08080	2.8
112.20764	1.2
115.05379	1.5
117.07046	7.5
119.08585	38.6
120.08898	3.3
121.06481	5.2
121.10160	20.3
123.08074	12.4
123.11707	2.4
125.05970	2.6
128.06180	3.9
129.06998	5.0
130.07782	3.5
131.08575	15.3
133.06490	1.8
133.10127	19.2
135.08058	9.9
135.11681	4.7
137.09616	15.1
141.06979	2.1
142.07785	5.9
143.08583	13.7
144.09285	4.7
145.10138	27.4
147.08052	21.8
147.11674	5.0
149.09610	5.4
151.07556	12.9
153.07024	1.3
155.08553	5.4
156.09296	4.2
157.10141	20.2
158.10757	2.5
158.37604	1.3
159.08035	2.5
159.11690	14.8
160.12041	1.8
161.09596	3.1
161.13234	5.2
163.11176	8.3
165.07004	2.3
165.09123	50.1
166.09398	2.4
167.08501	2.4
168.09302	2.9
169.10081	7.1
170.10896	3.0
171.11688	10.6
172.12251	1.8
173.09608	3.2
173.13261	7.2
174.10240	1.5
175.11169	4.6
175.14847	5.8
177.09097	2.1
179.08563	2.7
180.09282	1.6
181.10129	4.5
181.12206	8.3
182.10823	3.4
182.12453	1.4
183.11723	7.5
184.12405	1.6
185.09630	1.9
185.13304	7.9
186.13974	1.6
187.11188	2.8
187.14888	5.9
189.12741	5.3
191.14252	2.4
193.10106	3.9
194.10831	2.3
195.11768	5.7
195.13573	1.6
196.12450	2.9
197.13255	6.1
199.11113	2.9
199.14783	2.7
201.12709	2.7
203.14314	16.9
206.10905	1.8
207.11681	3.9
207.13821	8.2
208.12451	1.9
209.13210	5.5
209.15158	2.0
211.14769	3.7
213.16301	1.5
215.14217	2.1
219.13710	1.4
221.13492	4.4
221.15364	100.0
222.13800	1.8
222.15715	7.4
223.14902	3.4
225.16290	2.8
227.14319	2.4
231.11731	1.8
232.17938	1.3
233.13150	2.1
233.15385	1.7
234.16145	3.3
235.14778	3.3
235.16792	2.4
237.16425	2.2
239.18036	1.5
247.16943	5.1
248.17311	2.0
249.16299	2.2
253.15819	1.7
267.17441	1.2
274.19238	2.5
283.20529	1.8
286.19223	2.5
287.20059	4.8
297.22189	1.5
299.20047	3.9
300.20795	4.1
301.21548	3.9
311.19666	2.2
312.20749	1.6
313.21515	3.3
325.21490	1.6
326.22031	2.2
340.24036	2.1
341.24054	2.2
349.25314	1.3
352.23984	4.0
353.24301	3.0
367.26306	7.6
377.24603	1.3
393.27753	2.9
419.29657	1.4
440.29413	2.2
441.29584	6.5
491.35275	10.7
509.36060	4.5
521.35742	4.9
565.39777	2.1
583.41650	10.3
601.42444	30.0
602.41687	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79778	3.2
53.03949	6.0
55.05510	18.6
57.07069	12.2
59.04998	8.0
65.03928	8.0
67.05513	28.6
68.72855	2.8
69.03429	21.7
69.07073	18.4
69.38906	31.8
71.53310	3.3
79.05500	42.2
81.07054	49.8
82.07391	4.2
83.04961	16.8
83.08620	13.4
83.97302	3.1
85.06533	8.3
91.05492	57.6
92.05771	4.8
93.07049	80.1
95.04966	29.8
95.08599	46.7
96.08935	5.0
97.06530	13.2
97.10133	3.9
103.05467	7.1
105.06364	7.1
105.07039	100.0
106.07363	6.8
107.07941	5.7
107.08602	68.5
109.06521	12.1
109.10155	27.4
111.08067	6.1
115.05441	8.1
117.07013	23.9
119.07772	6.2
119.08585	86.3
120.08955	3.9
121.06502	13.6
121.10151	80.4
123.08095	20.4
123.11713	9.3
125.06065	4.3
125.09627	10.6
128.06244	13.9
129.07024	18.7
130.07767	6.8
131.08559	46.0
132.09126	3.2
133.06517	5.0
133.07527	3.8
133.10135	56.7
135.08073	24.4
135.11670	9.5
137.09607	17.1
139.11214	5.7
141.07004	7.6
142.07813	29.0
143.08582	49.3
144.09203	7.6
145.10135	72.9
146.10498	4.9
147.08066	27.5
147.11736	22.5
149.09641	19.9
149.13274	5.1
151.07574	17.3
153.06985	8.5
154.07843	4.2
155.08572	21.0
156.09338	19.7
157.10147	67.5
158.10695	13.0
159.06956	3.6
159.08006	17.8
159.11700	40.4
161.09596	18.1
161.13242	9.7
163.11185	22.1
165.06975	9.2
165.09120	47.4
167.08493	10.0
167.10692	48.6
169.10129	30.1
170.10838	9.7
171.11699	45.6
172.12274	4.1
173.09663	9.5
173.13300	18.9
175.11197	12.7
175.14827	9.6
179.08578	11.5
180.09245	5.4
181.10126	12.0
181.12218	15.2
182.10934	8.8
183.11696	20.5
184.12392	4.4
185.09673	5.6
185.13261	25.8
186.13666	3.9
187.11191	8.0
187.14803	6.6
189.12735	10.8
191.14310	8.4
192.09380	4.6
193.10161	15.2
193.12193	4.6
194.10915	8.5
195.11629	28.0
196.12411	7.9
197.13295	19.2
199.11330	5.0
199.14856	14.6
201.12817	7.5
203.14348	21.6
204.14746	3.9
206.10867	6.7
207.11693	13.5
207.13782	11.3
208.12389	6.5
209.13245	22.7
209.15147	7.6
210.13728	5.7
211.11240	5.9
211.14790	15.5
213.12769	8.0
213.16341	5.2
215.14304	5.4
219.11678	8.8
220.12436	8.2
221.13284	11.5
221.15341	88.9
222.15768	12.6
223.14818	14.1
225.12674	7.3
225.16437	6.6
227.14261	6.1
231.17569	4.4
233.13324	5.8
233.15358	23.6
234.13905	6.2
235.14821	10.3
235.16937	5.5
237.14650	5.2
237.16678	5.4
238.15193	6.4
239.17915	7.0
245.13237	6.9
246.13968	3.8
247.14757	6.2
247.17033	8.3
253.16002	6.6
255.17418	5.4
257.18872	4.3
259.14633	4.9
261.16281	4.2
263.17993	6.4
265.19510	6.6
281.18954	3.7
283.20560	9.2
287.20102	9.9
289.19565	3.9
295.20587	5.0
299.20181	7.4
300.20657	6.8
301.21613	5.4
302.76263	3.8
303.19431	4.5
304.19867	10.2
312.20786	6.9
313.21716	4.8
349.25226	8.0
352.24017	15.3
353.24319	19.4
365.24701	5.0
366.25015	4.9
367.26111	6.3
378.25461	4.1
503.19736	3.9
503.34860	8.4
508.35309	6.6
521.35767	12.6
565.40198	8.2
583.41223	14.8
601.42474	38.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38381	0.3
53.03931	0.4
53.21171	0.2
54.26650	0.2
55.01855	0.3
55.05490	0.3
65.03915	0.5
67.05511	1.4
68.04990	0.4
69.07065	3.4
70.06554	0.3
71.61562	0.3
79.05466	0.8
81.03421	0.2
81.07009	0.4
84.08124	0.4
85.02869	0.5
91.05484	1.2
93.05740	0.5
93.07011	0.5
94.06568	5.5
95.04939	1.1
95.05549	0.2
95.08582	0.5
96.08100	0.3
97.06526	0.3
104.04943	0.4
105.05732	0.3
105.06981	0.4
106.06550	2.4
107.04939	0.4
107.07320	0.6
108.08142	1.6
109.06496	0.5
110.05998	0.4
112.07570	0.8
116.04961	0.3
117.05745	0.4
118.06483	0.9
120.04470	1.4
120.08086	1.5
121.05185	0.5
121.08909	0.4
122.06028	12.9
123.04370	0.8
124.07540	0.8
127.03877	0.4
130.06503	0.4
132.08076	0.7
134.06027	1.9
136.07576	14.4
136.08638	0.7
138.05473	0.5
140.07062	20.5
142.08664	0.3
144.04463	0.3
144.08052	0.5
146.06004	17.7
146.09648	1.9
147.04388	0.4
147.06740	0.6
148.07568	21.2
149.08279	0.6
150.05501	0.4
150.09108	1.0
152.07054	2.7
153.01811	0.5
154.04999	0.4
156.07954	0.3
158.05960	0.4
160.07550	0.5
162.05467	0.6
164.07065	7.7
166.08640	3.4
172.03931	1.8
173.04668	1.7
174.05507	9.1
174.09146	1.9
176.07066	15.4
182.09608	0.3
186.05399	0.3
187.08664	0.3
190.04991	5.9
190.08563	0.4
191.05707	1.2
192.06549	2.2
195.09074	0.4
196.09926	0.4
197.10684	0.7
198.11604	0.4
207.09105	0.3
209.10696	1.7
210.09351	0.5
210.11514	2.3
211.08685	0.8
211.12212	1.6
212.09221	0.5
213.10327	0.4
216.10193	1.1
217.13306	0.3
218.08113	1.9
220.09920	0.5
221.10670	2.0
222.11526	1.1
223.08623	0.5
223.12242	3.1
224.09352	2.2
224.13065	1.2
225.10207	4.5
225.13728	0.6
226.10938	0.7
227.11850	1.6
229.13419	1.6
232.10022	0.3
233.10681	0.5
234.09245	0.3
234.11481	0.6
235.08601	2.2
235.12276	3.3
236.09482	1.2
236.13017	1.6
237.10172	12.0
237.13698	2.0
238.10976	15.9
239.11786	8.8
240.12654	0.2
241.09683	1.3
241.13448	0.5
242.11798	0.4
243.11227	0.9
244.09691	0.5
246.07588	0.9
247.08414	0.3
247.12320	0.5
248.09399	2.2
249.10205	6.0
249.14038	0.3
250.10980	4.5
251.11790	13.7
252.09065	0.7
252.12529	1.7
253.09676	0.6
253.13347	3.3
254.10677	0.3
255.11284	0.9
261.10110	0.8
261.12408	4.0
262.08469	0.5
262.11005	1.0
263.07773	0.4
263.08728	0.8
263.11789	13.9
264.08923	3.2
264.12552	2.8
265.09781	4.6
265.13345	33.1
266.10510	1.9
266.13940	1.5
267.11282	4.3
267.14145	0.4
268.11996	0.7
269.12827	1.2
270.13605	0.6
271.06137	0.4
271.14407	12.1
275.11826	1.6
276.12711	0.6
277.09695	4.2
277.13281	2.8
278.10464	4.9
279.11258	100.0
280.11993	6.5
281.09619	0.4
281.12878	3.5
282.13654	1.1
283.10770	3.8
283.14328	1.0
284.11499	1.4
285.12375	3.3
287.05527	1.5
287.13876	9.6
289.15430	1.0
291.11258	5.9
292.11978	2.1
293.12820	6.7
294.13660	1.7
295.10754	2.9
295.14429	1.9
296.11542	5.3
297.12323	63.3
298.13058	6.5
299.13928	0.6
303.11191	0.5
307.10663	0.4
309.12323	40.1
310.13110	20.9
311.10452	0.5
311.13849	3.4
313.11826	9.9
315.13199	1.2
316.14630	0.7
318.16098	0.4
319.10776	4.9
320.11432	0.6
321.12314	9.9
322.13058	1.0
323.10251	2.2
323.13870	0.8
324.11014	3.8
325.11835	8.4
326.12531	0.7
330.12360	0.6
331.12903	4.6
331.16733	0.4
332.17624	0.3
337.11813	61.0
338.12585	28.6
339.13382	61.6
340.14111	3.3
341.15433	0.4
358.15652	0.5
360.16998	0.5
369.58365	0.3
370.13083	0.9
372.17178	0.8
382.15445	0.3
384.13550	0.4
385.14078	0.4
386.14844	0.8
387.15851	0.4
388.16617	0.5
392.19739	0.9
398.18774	0.4
399.15787	0.4
400.16547	3.5
401.17285	0.7
402.18082	1.0
414.18167	1.3
416.19833	0.9
418.17651	1.4
419.18079	0.3
424.16644	0.9
432.19250	1.3
434.20822	1.5
437.19147	1.3
438.20197	4.7
442.17648	5.8
443.17984	1.0
444.19629	0.3
448.18631	0.3
450.20331	2.7
460.18658	72.7
461.19284	4.0
462.20224	0.8
464.18317	2.1
465.19119	0.8
466.19656	2.0
478.19727	51.8
479.20358	2.9
480.21310	9.8
559.25433	0.3
583.25397	3.6
601.26520	23.5
602.27002	0.5
623.99902	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.2
65.03934	0.3
67.05474	0.7
69.07059	1.1
70.85843	0.3
70.86175	0.4
76.36581	0.2
79.05446	0.4
80.05012	0.3
81.03385	0.4
89.03767	0.2
91.05453	0.9
93.05755	0.3
93.07008	0.4
94.06573	1.6
95.04955	0.6
97.07137	0.2
106.06551	1.0
107.07367	0.3
108.08166	1.0
108.08742	0.2
111.21939	0.2
115.18645	0.2
118.06519	0.4
120.08099	0.8
122.06030	3.6
124.07582	0.3
130.06546	0.4
132.08054	0.3
134.05989	1.5
136.07574	13.5
138.05461	0.4
140.07056	5.9
144.04427	0.3
144.08049	0.3
146.06012	8.3
146.09625	0.5
147.06796	0.5
148.07570	7.1
150.09090	0.6
152.07053	2.1
158.05965	0.4
158.09592	0.2
160.07582	0.4
161.13350	0.3
162.05426	0.5
162.09055	0.3
164.07066	9.4
166.08655	1.7
172.03873	1.4
172.07547	0.3
173.04674	0.2
174.05504	3.4
174.09103	0.7
176.07068	15.7
182.09712	0.3
187.08699	0.3
190.04991	2.6
191.05849	0.2
192.06551	1.0
197.10739	0.7
199.12285	0.2
201.06573	0.3
209.10710	1.7
210.09616	0.3
210.11447	1.3
211.08717	0.6
211.12367	1.6
213.10239	0.3
216.10165	0.3
218.08176	1.1
221.10757	1.8
222.11392	0.3
223.08521	0.4
223.12244	2.7
224.09337	1.8
224.12888	1.3
225.10213	3.4
225.13817	0.7
226.11078	0.5
227.11792	1.5
229.13385	0.6
233.10704	0.3
234.11470	0.5
235.08720	0.9
235.12259	2.9
236.09192	0.6
236.10956	0.3
236.12880	1.6
237.08386	0.1
237.10170	8.5
237.13626	1.2
238.10995	13.7
239.11777	6.8
240.12468	0.3
241.09724	0.5
243.11281	0.3
247.12407	0.4
248.09486	0.7
249.10199	2.6
249.13762	0.4
250.10866	1.8
251.11798	8.8
252.08887	0.4
252.12619	1.6
253.13426	2.4
255.11279	1.1
261.10092	0.9
261.12402	2.2
262.11008	0.8
263.08170	0.3
263.09177	0.3
263.11792	4.8
263.16016	0.3
264.08890	1.8
264.12448	1.2
265.09760	3.2
265.13351	12.7
266.10526	1.9
266.13989	0.6
267.11292	4.1
267.14417	0.4
269.12869	1.2
270.13727	0.3
271.11209	0.3
271.14407	6.3
273.12326	0.2
275.11765	2.1
276.12634	0.5
277.09756	2.2
277.13348	2.7
278.10422	4.2
279.11270	100.0
280.11960	7.2
281.12881	2.8
282.10138	0.3
282.13651	0.6
283.10782	2.7
283.14377	1.5
284.11642	0.9
285.12369	1.8
286.13315	0.3
287.05472	0.5
287.13904	4.3
291.11182	1.9
292.12067	0.7
293.12814	4.6
294.13586	1.1
295.10803	1.1
295.14413	2.0
296.11475	2.7
297.12329	47.2
298.13095	4.9
299.14102	1.0
303.11249	0.6
307.10745	0.3
309.12326	16.0
310.13132	7.4
311.13824	3.2
312.14569	0.3
313.11859	3.0
315.13351	1.0
319.10754	1.5
321.12335	11.3
322.13089	0.8
323.10184	1.4
323.13953	0.7
324.11023	2.3
325.11816	4.1
326.12668	0.9
330.12473	0.4
331.12811	2.1
337.11816	30.3
338.12592	14.1
338.16882	0.3
339.13379	78.2
340.13965	3.1
341.15167	0.4
344.14044	0.3
354.15854	0.3
357.15689	0.3
359.16370	0.3
360.17166	0.5
368.14255	0.3
370.12967	0.5
372.17130	0.4
386.14996	0.4
387.15723	0.4
388.16409	0.3
392.19815	0.7
400.16495	2.5
401.17307	0.8
401.66684	0.2
402.18149	0.6
414.18240	0.6
416.19778	0.7
418.17630	0.9
419.18103	0.5
420.19254	0.6
424.17346	0.3
432.19110	0.7
434.20892	0.9
437.19519	0.7
438.20251	4.4
442.17639	4.5
443.17566	0.5
448.18732	0.3
450.20233	2.3
460.18668	47.8
461.19354	4.0
462.20322	1.3
464.18188	1.2
465.18945	0.6
466.19742	1.7
478.19733	28.2
479.20459	4.1
480.21341	7.2
480.27020	0.2
480.28360	0.3
559.25793	0.4
583.25507	2.3
601.26501	19.2
602.27509	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01872	0.7
55.05511	1.4
57.03427	0.7
57.07067	0.7
58.99583	4.0
59.04990	0.8
65.03940	0.7
67.05512	1.4
69.03433	23.6
69.07070	2.6
71.04993	0.8
71.12548	1.3
73.02887	0.7
75.02687	0.8
79.05490	2.0
81.03426	5.5
81.07063	4.5
83.04993	1.0
85.01131	0.9
85.02901	4.0
85.06529	0.7
86.99060	3.5
87.04463	1.9
91.05483	1.6
93.07048	5.4
95.04930	0.6
95.08620	2.6
97.02897	3.7
97.06516	0.9
99.02698	2.3
99.04459	1.7
103.02154	0.8
103.05459	0.6
105.00104	5.8
105.07050	2.9
107.04957	1.8
107.08614	2.6
107.15090	0.6
109.02882	9.2
109.06546	1.1
109.10171	1.2
111.04414	0.6
111.11710	0.6
117.03696	2.5
119.04937	0.9
119.08595	2.0
121.06547	1.2
121.10152	10.7
123.04420	0.5
123.08102	1.4
123.11713	12.2
124.11254	0.9
125.09629	1.8
127.03922	100.0
128.04225	0.7
131.04909	0.7
131.08569	1.8
133.10086	1.0
135.04425	1.1
135.08098	1.8
135.11707	0.8
137.05963	1.2
145.03221	2.5
145.04947	1.6
145.10179	0.6
147.01140	1.3
147.04453	1.4
147.11707	1.6
149.02650	0.8
149.09613	7.7
149.13301	0.6
151.03961	1.1
151.11176	3.4
153.01820	4.9
159.08076	0.6
163.04262	5.7
163.14906	0.5
167.07056	4.3
167.10690	14.2
173.02747	0.6
173.13300	3.0
179.07048	0.7
181.04863	0.6
191.03780	3.2
191.14307	13.2
193.08490	0.6
209.15372	11.6
213.02165	0.8
215.05534	1.3
223.11598	2.4
231.03247	2.0
233.04643	0.6
241.12576	9.5
258.26837	0.5
267.14090	0.6
271.06107	1.0
285.15317	0.9
287.05508	31.4
288.05948	0.7
299.05988	1.1
317.07062	0.8
361.16653	0.7
439.17880	6.1
449.10916	0.8
601.30151	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1192
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
67.01868	0.4
68.99796	0.4
69.03429	0.1
69.61459	0.3
69.61881	0.3
76.35651	0.1
79.01865	0.2
79.05506	0.1
81.03425	0.4
89.03931	0.3
90.03060	0.1
91.94392	0.1
97.02913	0.2
107.04970	0.1
109.02874	0.2
111.04442	0.1
117.03377	0.1
125.02336	0.2
127.03899	0.2
129.01840	0.2
129.29323	0.1
135.04419	2.1
137.02367	0.6
143.03400	0.2
145.49814	0.1
153.01836	11.2
161.02348	0.6
171.02863	0.7
179.03381	0.3
185.05962	0.2
189.05399	0.1
203.03444	0.2
211.98761	0.1
213.05446	0.2
219.06531	0.1
241.04900	0.5
259.05951	0.1
261.18506	0.1
263.05569	0.1
269.04504	0.7
287.05499	100.0
288.05817	1.3
297.06021	0.7
315.06982	0.3
448.65680	0.1
449.10938	0.2
601.11920	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1193
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
50.01598	0.2
51.02393	0.4
51.12016	0.1
53.03949	0.4
57.03455	0.1
67.01875	0.4
68.99805	0.4
69.03429	0.9
69.52907	0.8
69.53314	0.3
71.04999	0.2
73.02924	0.2
79.01859	2.3
79.05465	0.2
80.30324	0.1
81.03417	3.3
85.02922	1.1
94.02716	0.1
97.02911	1.7
98.97620	0.3
99.04473	0.5
107.01340	0.9
107.04927	0.2
109.02885	2.4
124.11206	0.4
125.02350	1.9
127.03915	1.7
135.04430	1.8
137.02345	0.4
143.03412	3.2
145.04947	0.4
153.01834	61.5
153.02759	2.8
154.02136	0.3
161.02365	0.5
171.02899	2.8
179.03477	0.3
241.04919	0.6
258.05292	0.2
269.04492	0.5
286.04633	0.3
287.05502	100.0
288.05954	0.9
297.06094	4.5
315.07086	1.0
329.06369	0.2
449.10873	1.4
541.19537	0.2
601.11963	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	601.1193
Annotation	Kaempferol 3-(2''-galloylglucoside)
Peak:m/z	Relative Intensity
53.03940	0.2
63.25751	0.1
67.01857	0.6
67.70973	0.1
68.28870	0.1
68.99781	0.5
69.03413	0.3
69.43343	1.1
70.06559	0.1
71.05009	0.1
71.91920	0.1
79.05490	0.2
81.03405	0.4
85.02882	0.2
89.03921	0.3
93.07030	0.2
95.04933	0.2
97.02895	0.4
98.21488	0.3
102.51372	0.1
107.04928	0.2
109.02901	0.2
117.03364	0.2
121.02880	0.2
124.11239	0.2
127.03895	0.5
133.10033	0.1
135.04407	2.0
137.02342	0.7
137.05997	0.3
143.03380	0.3
147.04422	0.3
153.01834	10.9
161.02361	0.6
165.05522	0.1
167.07071	0.2
171.02905	0.8
171.04176	0.1
177.05550	0.2
179.03401	0.3
181.05049	0.3
203.03366	0.2
213.05418	0.3
231.06596	0.2
239.07101	0.3
241.04974	0.5
269.04462	0.5
287.05502	100.0
288.05807	1.0
297.06122	0.9
313.10693	0.3
345.13242	1.2
412.65320	0.1
449.11096	0.2
601.11688	1.3
601.22174	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	5.0
53.03945	6.8
55.05507	17.3
57.07065	11.4
59.04986	3.1
60.50779	2.9
67.05502	30.0
69.03428	17.8
69.07062	13.7
71.37077	4.6
79.05495	31.0
81.07054	44.1
83.04996	16.6
83.08604	14.1
85.06531	7.4
89.06033	9.7
91.05473	58.3
93.07047	66.6
94.07355	3.9
95.04967	17.0
95.08610	43.8
97.06544	17.5
97.10223	2.8
103.05460	4.0
105.07037	82.7
107.08600	50.2
109.06526	22.3
109.10167	18.4
111.08077	9.6
115.05440	6.2
116.06239	4.6
117.07009	18.8
119.07764	5.9
119.08580	76.7
121.06478	15.7
121.10147	48.0
122.10410	4.6
123.08074	30.0
123.11726	3.8
125.06000	7.6
125.09621	11.2
128.06213	17.2
128.54010	3.8
129.07014	24.1
130.07761	4.6
131.08578	38.6
132.55069	3.3
133.06447	10.3
133.08594	4.8
133.10126	45.7
135.08038	27.5
135.11697	13.8
137.05933	3.8
137.09628	20.2
139.11176	4.6
141.06985	6.3
142.07771	32.7
143.08568	46.9
144.09335	14.4
145.06459	6.4
145.10121	64.9
146.10547	4.4
147.08040	36.3
147.11676	18.9
149.09662	16.0
151.07574	20.3
153.06915	4.1
153.09084	4.3
155.08580	19.9
156.09372	20.9
157.10133	67.1
158.10838	11.6
159.08102	18.5
159.11682	37.5
160.08818	3.8
160.12177	3.7
161.09592	15.9
161.13272	9.1
163.11163	15.7
165.09117	50.0
166.07816	3.5
166.09395	7.4
167.08600	7.4
167.10651	11.8
168.09389	5.1
169.10083	25.7
170.10828	9.8
171.08020	4.0
171.11694	33.5
172.08768	4.9
172.12373	6.0
173.09604	14.6
173.13225	21.1
175.11157	23.3
175.14688	4.7
177.09148	3.8
179.08603	5.7
180.11485	4.0
181.10110	17.2
181.12230	15.5
182.10863	9.9
183.11687	25.6
184.12491	4.9
185.13275	18.8
187.11198	9.9
187.14822	4.5
189.12711	15.1
190.13530	9.7
191.10611	5.6
192.09381	4.0
193.10094	11.6
193.12238	9.4
194.10945	7.8
195.11685	23.1
195.13361	3.5
196.12364	4.8
197.09706	3.7
197.11653	5.0
197.13245	18.5
199.11147	13.1
199.14810	7.5
201.12766	6.3
203.14320	28.7
204.39648	3.6
205.10129	4.6
205.12180	4.3
206.10921	7.4
207.11673	14.3
207.13785	19.3
208.12396	7.2
208.14508	9.8
209.13199	18.2
209.15192	6.4
210.13724	3.9
211.11183	6.8
211.14839	12.6
213.12677	12.4
215.10564	3.9
215.14287	5.0
218.16754	5.1
219.11824	5.8
219.13867	9.0
220.12389	6.5
221.13258	14.7
221.15343	100.0
222.13789	4.7
222.15764	14.9
223.14806	10.9
224.15262	4.5
225.12741	4.4
225.16377	6.7
227.14124	4.3
233.13322	5.0
233.15245	17.0
234.16023	11.6
235.14864	7.2
237.12592	6.1
237.14647	29.6
239.17850	5.6
243.11703	4.1
244.12500	5.3
245.13229	4.6
247.14757	4.8
247.16942	8.2
248.14072	9.7
249.16539	7.0
251.14241	5.4
253.15935	6.2
255.17439	15.6
261.16214	6.9
263.18051	6.0
263.76505	4.1
271.16925	6.5
273.18332	4.3
274.19339	20.2
279.17404	4.2
281.19025	6.2
285.18445	9.9
286.19241	11.0
287.20129	8.4
294.19748	3.8
297.18488	5.1
299.20007	13.3
303.19513	42.8
305.18741	3.8
309.18573	4.2
310.19272	4.5
311.19946	6.0
312.20871	5.7
313.21585	25.9
325.21564	12.4
337.21542	8.9
347.23740	4.3
352.23959	87.9
365.24878	20.3
377.24603	3.8
420.30090	4.0
459.42349	3.5
501.87894	3.5
502.34387	12.5
503.35260	6.4
505.32892	5.8
507.34705	11.0
520.35480	48.5
582.40405	5.6
600.41425	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.3
53.03939	4.9
55.01872	2.6
55.05492	7.0
55.91076	2.3
57.07063	17.4
59.04982	2.1
59.15423	2.1
63.69314	2.1
65.03938	2.8
67.05525	11.0
69.03430	11.8
69.07050	7.3
70.06549	2.2
71.04980	2.2
71.08598	2.6
71.61470	3.6
76.53098	2.0
79.05483	18.6
81.07047	25.4
81.85464	2.0
82.07355	2.6
83.04965	7.6
83.08594	7.9
85.06503	4.2
89.06033	15.5
91.05474	33.3
93.07050	35.9
94.07364	2.1
95.04959	10.8
95.08607	21.7
97.06522	6.2
103.05470	3.0
105.07031	63.0
105.07746	3.2
107.08595	25.8
109.06528	11.5
109.10158	8.1
111.08054	4.5
115.05414	4.5
117.07027	15.0
119.07776	3.9
119.08578	60.1
120.09390	4.6
121.06509	9.4
121.10136	24.3
123.08074	20.0
125.05989	13.8
128.06197	3.9
129.06990	9.7
130.07745	6.2
131.08563	31.2
132.09341	2.4
133.06480	4.1
133.08575	8.0
133.10107	20.7
134.10931	2.4
135.08040	18.3
135.11671	10.1
137.05951	3.2
137.09593	13.6
139.07570	2.9
141.06956	5.1
142.07758	12.6
143.08545	25.7
144.09322	9.8
145.06425	4.0
145.10130	47.3
147.08058	30.1
147.11639	6.1
149.09622	14.9
151.07527	10.2
151.11145	2.4
152.08237	2.8
152.86000	2.4
154.07709	3.4
155.08572	13.6
156.09354	12.8
157.10120	37.7
158.10893	5.1
159.08069	11.8
159.11699	28.1
160.08829	12.4
160.12280	3.2
161.09608	13.0
161.13229	5.7
163.11203	17.1
165.09120	46.1
167.08527	3.9
168.09210	3.1
169.10162	15.8
170.10860	5.8
171.11696	17.6
172.12309	2.3
173.09540	10.9
173.13214	11.2
174.85168	2.5
175.11156	25.1
175.14809	4.3
177.09099	4.2
177.11194	2.8
177.12645	3.4
178.09895	3.3
179.08565	5.9
180.09532	2.7
180.11389	3.5
181.10136	8.4
181.12241	17.9
182.10965	5.2
183.11688	15.7
184.12384	5.4
185.09575	3.5
185.13220	12.2
186.13936	2.2
187.11177	8.9
187.14822	4.3
188.11946	2.8
189.12747	7.3
190.13464	8.1
191.10660	8.8
193.10130	6.5
193.12230	17.8
194.10977	3.3
195.11740	13.5
195.13519	2.6
196.12386	6.3
197.09612	2.2
197.13219	14.0
199.11198	8.9
201.12799	8.7
203.14316	25.0
204.14735	2.5
206.10880	2.4
207.11760	4.7
207.13806	11.6
208.12573	3.1
208.14436	11.3
209.13240	12.0
209.14987	2.5
210.13763	2.3
211.11157	2.6
211.14804	7.8
213.12723	3.5
215.14297	2.8
219.13853	7.0
220.12296	2.5
221.13428	5.6
221.15346	100.0
222.13708	2.1
222.15749	7.9
223.14659	5.1
225.12695	5.6
225.16425	5.0
229.15976	3.4
230.13028	2.7
231.13747	4.1
233.15285	3.9
234.14000	3.8
234.16129	22.5
235.14781	4.7
237.12711	4.6
239.14308	3.5
239.18088	2.7
240.18576	3.3
241.15941	3.0
247.14505	2.7
247.16898	31.8
248.17772	2.6
253.15784	2.5
259.16895	5.8
267.17291	2.8
271.16898	4.2
274.19238	14.1
279.17282	2.9
281.18896	3.0
283.26318	8.8
285.18506	3.5
286.19293	5.8
287.20160	11.0
297.18362	4.9
299.20047	15.9
300.20679	3.2
311.20001	4.6
312.20786	8.0
313.21481	8.9
319.20374	3.7
325.21466	14.8
327.23193	4.7
337.21722	3.3
339.23132	5.8
340.23892	17.2
344.31769	3.8
351.23221	2.5
352.23889	30.3
365.24689	6.3
377.24466	2.9
379.26144	5.3
387.25226	4.1
391.26251	5.2
392.27023	2.7
400.25867	2.2
413.26791	4.6
419.29413	9.9
420.30115	5.6
425.26984	10.1
426.27747	3.5
427.28336	15.4
440.29196	46.4
442.31061	4.1
508.35315	5.1
520.35455	30.9
585.39130	4.4
600.41376	30.6
600.55536	25.5
601.42047	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
53.26901	3.0
53.33097	2.8
55.01871	3.6
55.05513	15.1
57.07073	9.7
58.06578	2.5
59.04996	5.5
64.80356	2.6
67.05506	22.4
69.03421	10.4
69.07062	11.7
69.39684	4.5
69.40092	20.6
71.04994	6.7
79.05501	24.6
81.07053	27.1
83.04992	7.6
83.08612	9.9
85.06522	5.2
85.86486	2.4
85.95240	2.5
87.14526	2.2
89.06020	14.6
90.06300	2.7
91.05490	34.2
93.07048	38.9
94.07352	3.3
95.04984	15.5
95.08601	30.3
96.08924	3.9
97.06527	21.2
105.07030	55.7
107.08614	33.7
109.06517	16.6
109.10148	19.9
111.08054	5.0
113.09653	6.9
115.05438	2.8
117.07006	14.4
119.08575	62.7
120.08870	3.1
121.06522	11.0
121.10145	28.8
123.08074	24.1
125.05998	6.8
125.09649	7.5
128.06213	7.4
129.06987	15.5
130.07811	6.5
131.08568	26.0
132.09267	3.1
133.06497	4.0
133.08635	7.5
133.10130	23.7
135.08064	16.7
135.11702	9.1
137.09601	11.4
139.11169	13.1
141.07024	6.6
142.07817	15.5
143.08586	25.7
144.09283	10.5
145.06483	17.0
145.10121	41.7
146.10458	4.5
147.08058	24.1
147.11711	13.2
149.09615	10.6
151.07567	11.4
155.08563	10.8
155.10643	7.9
156.09346	12.5
157.10152	44.0
158.10782	4.6
159.08047	13.0
159.11693	29.0
160.08849	59.0
161.09657	15.0
161.13316	6.3
163.11209	16.4
165.07036	4.7
165.07623	3.0
165.09094	43.7
166.09532	5.1
167.08543	5.7
168.09354	3.7
169.10095	19.1
170.05624	2.6
170.10750	5.0
171.08029	5.1
171.11693	20.8
172.12367	6.5
173.09633	10.9
173.13191	13.6
173.20625	3.4
175.11139	15.6
175.14778	4.9
176.11818	3.2
177.11285	6.3
177.12700	3.5
179.08617	4.9
179.14384	3.9
180.09236	4.4
181.10068	8.3
181.12239	27.8
182.10844	7.3
183.11729	16.5
184.12173	5.7
185.09651	5.1
185.13252	12.3
186.10519	2.8
187.11212	6.0
188.11789	2.6
189.12729	10.1
190.13492	7.8
191.14319	4.0
193.10123	9.3
193.12250	9.0
194.10899	6.7
195.11720	14.0
195.13695	5.0
196.12299	6.7
197.13264	14.1
199.11174	7.5
199.14810	6.1
201.12769	7.0
203.14308	16.3
207.11597	4.7
207.13815	8.7
208.12485	4.4
208.14516	9.7
209.13297	16.0
209.15221	4.2
210.14072	3.0
211.14816	9.3
217.15900	3.2
219.11780	3.5
219.13763	6.8
220.12453	3.7
221.13388	6.2
221.15363	100.0
222.15714	15.7
223.14819	7.3
225.12689	5.1
225.16461	5.5
227.14383	3.5
231.26569	2.8
233.15375	5.2
234.14154	3.5
234.16107	19.3
235.14801	8.3
237.16603	3.5
239.14383	5.2
243.13786	3.5
245.15405	3.0
247.16974	19.6
251.14117	5.1
252.56587	2.7
259.16968	4.6
263.17981	3.4
265.15915	4.5
271.16962	4.1
273.18457	4.3
274.19275	4.8
283.26385	6.4
286.19260	14.6
287.20105	14.2
297.18478	6.0
298.19168	3.2
299.20093	18.1
300.20709	7.5
302.22104	3.9
311.20023	11.9
312.20758	12.2
313.21414	5.0
325.21686	9.5
337.21576	5.8
339.23196	4.2
340.23853	8.4
352.23999	30.0
365.24835	8.0
366.25391	3.9
391.26382	6.1
392.26834	7.8
400.26123	4.4
413.27396	3.7
419.29239	6.0
420.30084	3.3
425.26855	4.3
427.28635	4.0
440.29337	28.4
454.30045	3.2
508.34964	4.7
520.35632	18.3
582.40503	5.6
585.39746	3.5
600.41382	42.8
600.55365	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	600.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	8.3
55.01880	5.2
55.05518	17.8
57.07066	10.7
59.05002	5.9
65.03939	3.3
67.05505	30.6
69.03428	18.6
69.07067	19.5
69.38566	3.1
69.38864	30.5
71.04992	5.0
79.05497	33.0
81.07068	36.7
81.97500	3.7
83.04992	16.8
83.08601	11.0
85.02287	4.0
85.06538	7.9
89.06023	6.9
91.05487	56.9
91.99971	3.1
92.05774	4.6
93.07047	72.2
95.04984	19.7
95.08612	39.2
97.06535	12.8
105.07033	100.0
107.04964	3.5
107.08595	61.2
109.06524	24.0
109.10162	15.4
111.08051	6.0
115.05422	6.7
117.07029	26.6
119.08578	82.1
120.09460	5.4
121.06509	13.5
121.10146	49.6
123.08074	38.6
123.11775	3.8
125.05954	8.4
125.09638	9.5
128.06262	16.3
129.07007	23.3
130.07777	8.6
131.08568	42.3
133.06502	9.2
133.10147	43.3
135.08064	27.4
135.11697	12.0
137.05981	6.1
137.09625	14.9
141.07034	8.8
142.07773	31.5
143.08566	56.1
144.09291	12.4
145.06491	3.8
145.10133	77.0
147.08051	49.4
147.11664	13.7
149.09630	19.5
149.13332	3.6
151.07529	19.8
151.11174	5.8
153.09143	6.8
155.08607	19.2
155.10568	4.0
156.09323	21.5
157.10138	74.3
158.10899	12.6
159.08061	17.2
159.11705	31.3
161.09598	24.1
161.13239	9.5
163.11209	14.7
165.07053	7.3
165.09122	43.3
166.07837	5.1
166.09436	6.4
167.08568	14.5
167.10721	15.5
168.09372	5.5
169.10144	32.0
170.10896	14.9
171.11705	43.9
172.12349	7.6
173.09616	17.3
173.13275	13.9
175.09863	3.7
175.11214	20.5
177.12750	5.5
179.08585	12.5
179.10612	4.3
180.09328	5.9
181.10054	18.0
181.12288	11.8
182.10876	10.5
183.11702	24.4
184.12340	3.4
185.09616	3.6
185.13246	23.7
187.11188	11.1
187.14806	4.5
189.12720	12.1
190.13574	9.7
191.10583	3.7
193.10162	13.3
193.12189	9.4
194.10933	8.2
195.11751	29.5
195.13516	5.7
196.12498	8.3
197.09598	6.3
197.13246	26.2
199.11151	7.4
199.14799	12.3
201.12766	9.4
203.14357	20.7
205.10228	4.5
205.12105	4.0
206.10843	5.8
207.11684	11.4
207.13773	13.7
208.12460	6.1
208.14537	7.6
209.09950	3.3
209.13220	19.6
209.15199	6.3
210.14088	4.1
211.11212	7.5
211.14827	11.3
213.12784	9.2
213.16373	5.7
215.14259	5.5
217.10075	4.4
217.15866	4.8
219.11711	8.7
219.13737	7.9
220.12526	5.6
221.13287	15.8
221.15320	88.3
222.13914	5.6
223.14792	10.6
225.12727	7.9
225.16333	9.4
227.14394	5.5
229.15981	4.1
231.11610	3.9
233.13374	6.2
233.15375	24.9
234.13942	5.5
234.16118	12.0
235.14861	10.1
236.15506	4.3
237.12720	5.1
237.14697	30.6
239.14288	4.7
241.15916	5.4
245.13219	5.1
247.14807	5.8
247.16985	10.0
248.14099	10.2
249.16345	3.8
251.18053	4.6
253.15794	6.6
255.17471	20.6
259.16986	4.4
261.16449	4.9
263.17899	4.1
267.17374	3.7
270.19757	8.5
271.17035	7.7
274.19254	12.8
279.17368	4.9
281.18961	9.1
285.18607	7.3
286.19290	14.0
287.20013	11.1
294.19705	3.6
295.20639	5.5
297.18658	5.1
299.19965	11.5
300.91907	3.5
303.19528	37.8
307.20865	3.4
309.18723	4.3
312.20834	7.0
313.21628	12.7
313.58286	4.3
325.21530	18.2
337.21884	7.3
352.23965	79.1
365.24826	21.8
377.24881	4.6
415.26123	3.4
420.30103	5.0
502.34534	9.4
503.34714	8.1
505.33282	4.2
507.34665	14.0
508.34833	7.6
520.35339	36.1
582.40845	5.8
600.41638	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.9
52.56466	0.4
53.03947	2.6
53.66456	0.5
53.85677	0.4
55.01867	0.6
55.05518	3.3
56.20140	0.5
56.61134	0.4
57.07077	2.4
58.79927	0.4
59.04996	0.9
65.03950	1.0
67.05504	5.3
69.03415	3.4
69.07068	3.3
69.31294	4.3
71.01344	0.5
71.05000	0.5
71.62387	0.4
72.58013	0.5
77.03935	0.7
78.41366	0.4
79.05497	11.2
80.06261	0.6
81.07059	8.7
83.04992	3.3
83.08617	1.9
85.06541	1.8
87.04454	1.2
89.06037	9.0
91.04893	0.5
91.05481	13.2
93.07047	17.5
94.07341	0.5
95.04964	6.1
95.08611	7.5
95.09162	0.9
97.06533	1.8
98.20671	1.0
102.79526	0.4
103.05463	4.8
105.07033	100.0
106.07345	0.6
107.04933	0.7
107.08598	11.3
109.06545	4.7
109.10150	3.3
111.08090	1.2
115.05479	1.2
116.06220	0.6
117.07023	5.0
119.04948	1.1
119.08585	19.2
121.06516	13.2
121.10155	10.0
122.07319	0.6
123.08077	6.1
123.11704	1.3
125.06018	1.7
125.09650	1.8
128.06213	3.6
129.07005	7.0
130.07782	2.0
131.08572	10.7
131.09496	0.8
132.09370	1.2
133.06552	2.6
133.07678	0.8
133.08614	3.2
133.10135	10.0
134.10965	0.5
135.08063	7.0
135.11702	3.0
137.06024	0.9
137.09595	3.5
139.07555	0.7
139.11226	0.6
141.06984	2.4
142.07796	6.7
143.08572	11.1
144.09367	2.9
145.06502	1.0
145.10126	14.1
146.07280	0.6
147.08054	8.4
147.11713	3.1
148.08769	0.7
149.09639	4.8
150.10353	0.4
151.07527	4.1
151.11145	0.7
153.06961	0.6
153.09149	0.6
154.07794	1.1
155.08556	4.8
156.09361	4.3
157.10127	17.5
158.10974	2.7
159.08051	4.2
159.11707	8.5
160.08855	1.2
161.09612	5.0
161.13287	2.3
163.11174	4.5
165.06970	1.7
165.09120	16.3
166.07742	1.1
167.08589	1.9
167.10661	2.7
168.09387	1.7
169.10127	6.4
170.10966	2.7
171.08109	0.7
171.11693	8.9
172.08955	0.6
172.12442	1.3
173.09570	3.1
173.13243	3.7
174.10428	0.9
175.11165	5.7
175.14844	1.2
176.11830	0.6
177.09091	0.5
177.11356	1.1
177.12808	1.2
179.08553	2.5
179.10672	1.3
180.09326	1.2
181.08745	0.8
181.10091	3.7
181.12169	2.4
182.10901	1.9
183.10214	0.8
183.11707	5.9
184.12450	1.5
185.09660	1.6
185.13263	4.8
186.13945	0.7
187.11250	2.1
187.14867	1.4
188.11967	0.5
189.12788	3.0
190.13559	2.4
191.10619	0.8
191.14294	0.9
192.09351	1.0
193.10223	2.7
193.12019	2.6
194.10872	1.8
195.11710	5.9
195.13478	0.9
196.12433	1.1
197.09587	1.4
197.11671	1.0
197.13258	5.0
198.10458	1.0
198.14015	1.0
199.11215	2.5
199.14857	1.7
200.11812	0.5
201.12761	2.4
203.14317	6.1
205.10242	0.9
206.10901	1.7
207.11719	3.5
207.13815	4.1
208.12450	1.5
208.14600	2.2
209.09735	0.5
209.11633	0.8
209.13281	6.0
209.15292	1.2
210.14018	1.0
211.11232	1.9
211.14838	2.6
212.11908	0.9
212.15652	0.9
213.12755	3.1
213.16371	0.9
215.10683	0.9
215.14261	1.1
217.10197	0.9
217.12196	0.9
219.11731	1.4
219.13806	1.8
220.12502	1.7
221.13297	3.0
221.15343	20.4
222.13927	0.9
222.15828	1.1
223.11264	0.5
223.14822	1.8
224.15474	0.7
225.12767	2.4
225.16409	1.8
227.14453	0.8
229.15846	1.1
231.11794	0.9
231.13890	0.5
232.12288	0.6
233.13268	1.2
233.15352	5.5
234.13992	0.9
234.16121	3.9
235.14973	2.7
235.17009	0.8
236.15681	0.9
237.12688	1.2
237.14676	8.2
237.17105	0.5
238.13423	0.8
239.14380	1.1
241.15945	0.8
243.13934	0.8
245.13248	1.1
246.14055	1.1
247.14993	0.9
247.17010	2.0
248.13988	3.2
249.12727	0.7
249.16405	1.8
250.15610	1.0
251.14244	1.2
251.18280	0.7
253.15872	1.4
255.17484	5.0
259.14630	1.0
259.17087	1.0
260.15482	0.6
261.16406	1.8
265.16019	0.5
265.19525	0.7
269.15469	1.0
269.18961	0.8
270.19736	0.9
271.15344	22.8
273.16132	1.0
273.18701	1.0
274.19363	3.5
275.17783	0.6
277.19376	0.6
279.17444	1.7
281.18909	0.7
282.19586	0.6
283.17026	0.6
285.18539	1.3
286.19357	3.2
287.20212	2.8
289.19431	0.6
293.19080	0.7
294.19730	1.6
295.20541	1.1
297.18683	1.1
299.20193	3.6
303.19562	13.4
309.18689	0.6
310.19366	0.9
311.20020	1.4
312.20898	1.6
313.21667	3.7
319.20569	1.1
325.21695	4.0
337.21786	2.5
352.23972	22.6
359.23834	0.6
363.22986	0.5
365.24786	4.6
374.26071	0.5
375.21680	13.2
377.24762	1.3
378.25531	0.6
379.26642	0.7
383.25986	0.7
416.39764	0.5
454.31369	0.7
459.14905	0.6
479.27991	1.4
487.31958	0.9
502.34473	2.2
503.35275	1.5
505.33237	1.5
507.34656	2.8
508.35065	1.4
520.35461	9.7
567.38715	0.9
582.40198	1.0
585.39313	0.9
600.41638	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	600.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	14.3
57.07061	16.5
59.04996	7.0
67.05490	19.7
69.03426	11.0
69.07050	6.4
69.47851	19.3
69.48279	20.6
72.63704	4.0
79.05502	22.8
81.07063	36.9
83.04960	11.0
83.08599	5.9
85.06541	8.3
89.06032	22.8
91.05500	32.1
93.07059	38.1
93.13573	5.1
95.04960	17.1
95.08604	31.7
97.06510	13.1
98.20770	9.5
105.00806	5.0
105.07033	55.5
106.07894	5.2
107.08580	29.9
109.06522	12.1
109.10142	11.4
117.07014	13.1
119.08577	73.1
121.06472	8.7
121.10129	26.0
123.08059	15.4
125.05980	11.5
129.07005	11.2
131.08546	32.5
132.09357	6.8
133.08607	14.2
133.10115	25.8
135.08035	17.2
135.11673	6.4
137.09592	11.7
142.07779	12.1
143.08557	25.1
144.09224	11.3
145.10127	40.2
147.08066	27.9
147.11635	7.2
149.09630	16.7
149.48778	4.5
151.07538	10.7
155.08467	11.2
156.09332	10.6
157.10147	32.9
158.10866	5.1
159.08015	8.5
159.11728	26.4
160.08888	5.1
161.09633	7.4
161.13211	10.2
163.11198	23.8
165.09100	45.9
167.08536	5.7
168.09299	6.1
169.10114	19.9
171.11665	20.3
173.09576	10.4
173.13275	12.7
175.11214	23.2
177.09036	6.2
178.09856	5.1
181.10103	8.3
181.12238	18.8
182.12508	5.3
183.11714	19.2
185.09557	10.3
185.13242	11.3
187.11179	8.7
187.14757	4.5
190.13626	10.2
191.10634	4.6
193.10124	7.7
193.12195	12.0
194.10934	4.8
195.11710	15.5
197.13229	9.0
199.11241	7.3
203.14322	24.3
207.13809	13.8
208.14563	9.5
209.13248	9.3
211.14825	8.0
213.12761	7.5
219.13681	8.5
221.13354	11.3
221.15366	100.0
222.15697	10.7
223.14807	11.4
234.16130	19.7
235.14877	4.9
237.12846	5.3
247.14731	5.1
247.16998	27.1
255.17499	9.7
259.14627	5.4
261.16208	5.1
274.19315	11.5
283.26270	4.9
287.19955	11.3
299.20059	17.4
300.20700	4.9
307.20245	7.7
312.20950	6.2
313.21674	13.7
323.08643	4.6
325.21613	14.6
340.23950	14.4
352.23972	29.8
365.24652	14.1
391.26105	5.5
413.26797	9.3
419.29218	9.6
425.27017	10.4
427.28461	11.2
440.29187	36.2
474.45276	4.6
488.13821	4.5
505.33038	5.3
508.35385	5.5
520.35773	22.4
585.39404	4.8
600.41650	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	600.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.2
51.02372	0.7
53.03944	1.4
55.05507	0.3
57.07055	0.4
67.05494	0.3
69.07085	0.4
70.96652	0.3
71.08643	0.2
77.03927	0.5
79.05496	4.8
81.07050	0.7
87.04477	1.2
89.06030	11.5
91.05486	2.1
93.07054	2.6
95.04957	1.8
95.08604	0.7
103.05466	4.0
105.07028	100.0
106.07359	0.6
107.08578	0.6
119.04953	0.3
119.08609	1.3
121.06503	10.4
121.10174	0.7
123.08057	0.3
123.11673	0.2
127.73363	0.3
129.07042	0.8
130.08640	0.3
131.08571	0.8
133.08600	4.5
133.10158	0.6
135.08005	0.4
135.11705	0.3
143.08598	0.3
145.10135	0.4
147.08035	1.2
157.10110	0.6
163.11235	0.3
165.09123	4.6
166.07759	0.3
167.10623	0.4
169.10156	0.3
171.11630	0.4
175.09657	0.4
177.11227	2.2
181.12306	0.3
183.10152	1.1
183.11581	0.3
183.65706	0.3
191.10544	0.3
193.10057	0.3
195.11696	0.3
209.11665	0.6
209.13300	2.8
221.15405	0.7
225.12830	0.6
227.12799	0.5
239.79089	0.3
251.14281	2.0
253.15987	0.3
269.15564	0.7
271.15399	33.3
272.15878	0.4
280.92633	0.2
287.05991	0.3
327.17514	0.7
329.19061	0.3
334.35284	0.3
375.21658	20.6
479.27982	2.3
599.99219	0.3
600.41260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01612	0.2
51.02372	0.7
53.03944	1.4
55.05507	0.3
57.07055	0.4
67.05494	0.3
69.07085	0.4
70.96652	0.3
71.08643	0.2
77.03927	0.5
79.05496	4.8
81.07050	0.7
87.04477	1.2
89.06030	11.5
91.05486	2.1
93.07054	2.6
95.04957	1.8
95.08604	0.7
103.05466	4.0
105.07028	100.0
106.07359	0.6
107.08578	0.6
119.04953	0.3
119.08609	1.3
121.06503	10.4
121.10174	0.7
123.08057	0.3
123.11673	0.2
127.73363	0.3
129.07042	0.8
130.08640	0.3
131.08571	0.8
133.08600	4.5
133.10158	0.6
135.08005	0.4
135.11705	0.3
143.08598	0.3
145.10135	0.4
147.08035	1.2
157.10110	0.6
163.11235	0.3
165.09123	4.6
166.07759	0.3
167.10623	0.4
169.10156	0.3
171.11630	0.4
175.09657	0.4
177.11227	2.2
181.12306	0.3
183.10152	1.1
183.11581	0.3
183.65706	0.3
191.10544	0.3
193.10057	0.3
195.11696	0.3
209.11665	0.6
209.13300	2.8
221.15405	0.7
225.12830	0.6
227.12799	0.5
239.79089	0.3
251.14281	2.0
253.15987	0.3
269.15564	0.7
271.15399	33.3
272.15878	0.4
280.92633	0.2
287.05991	0.3
327.17514	0.7
329.19061	0.3
334.35284	0.3
375.21658	20.6
479.27982	2.3
599.99219	0.3
600.41260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.7
55.01867	1.4
55.05504	2.8
57.03441	0.8
58.99583	1.4
67.05509	9.2
69.03419	1.0
69.07069	4.4
69.44033	3.6
69.44451	1.4
71.04968	1.0
74.00656	1.8
75.36064	0.5
76.02221	2.1
76.04047	0.7
76.90024	0.7
79.05493	8.3
80.05012	2.0
81.03435	1.5
81.07058	20.6
82.06575	0.6
83.04983	2.1
83.06100	1.1
83.08623	2.5
84.04511	4.9
85.01127	0.9
85.02896	1.0
85.06551	1.1
86.00644	1.1
91.05466	6.2
93.05757	0.8
93.07053	7.5
94.06563	1.5
95.04958	1.9
95.08609	13.1
96.08137	1.2
97.01106	1.8
97.06517	1.3
99.01413	4.4
99.05550	1.5
100.02203	5.9
105.07034	7.1
106.06542	0.8
107.04951	2.3
107.06129	0.6
107.08591	6.0
108.08083	1.1
109.06530	4.2
109.10174	2.9
111.08114	0.9
112.02187	7.7
113.02981	1.7
113.04216	1.1
114.03765	7.9
116.01675	1.7
117.07012	2.7
119.08573	6.0
120.08110	1.2
121.06543	1.7
121.10142	2.8
123.08064	2.1
123.11702	0.7
125.04239	1.5
125.09598	0.8
126.03745	2.2
129.06621	1.2
130.04976	1.6
131.08565	3.0
133.06433	0.7
133.10133	4.3
135.08009	1.2
135.11699	1.8
137.04175	1.3
138.03740	2.6
139.05804	0.8
140.05283	8.4
143.08453	1.0
145.10127	3.1
147.11684	3.7
149.09612	1.5
149.13292	1.9
151.05782	0.8
151.11157	0.9
152.05327	1.5
153.01765	0.8
153.06610	0.7
154.06856	1.5
157.10130	0.7
159.11667	1.3
161.09583	1.0
163.11177	1.5
163.14934	0.8
165.12712	1.0
166.06879	1.3
168.08429	15.3
171.11691	1.5
173.13280	2.6
175.11273	0.7
177.12750	1.1
178.42004	0.7
179.04912	1.4
181.06187	0.9
185.03835	2.2
191.14273	1.1
202.04086	1.9
208.13382	0.6
208.16977	0.8
209.15346	3.2
210.14897	0.7
213.42966	0.6
216.05661	2.4
222.14914	1.0
231.04283	3.1
233.06018	0.8
236.14618	1.5
241.06416	1.5
247.20552	0.9
248.16367	0.9
255.07924	3.0
257.19272	0.8
261.16504	0.6
264.14185	7.5
265.15054	0.7
269.09799	1.3
270.10324	5.6
271.11081	1.9
275.20090	7.8
281.14459	1.7
282.15219	30.0
293.21234	1.8
307.17166	0.7
308.09213	1.3
323.16058	1.2
323.20001	0.9
324.19907	0.9
332.20804	0.8
333.18979	2.1
348.15366	0.8
349.47293	0.7
350.21527	10.1
351.19907	2.2
368.22513	10.9
378.20923	1.2
384.17203	11.5
384.21848	1.2
385.17868	3.1
402.34586	1.3
435.23358	0.9
453.24197	100.0
454.24539	1.1
479.26166	0.8
525.26349	5.7
535.36743	0.7
552.09924	0.7
580.55927	0.7
582.28687	1.0
600.29053	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	600.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74158	0.3
64.42693	0.3
67.05509	0.3
69.03433	0.9
71.61113	0.5
85.02917	1.6
91.05469	1.2
96.83788	0.3
97.02917	0.8
99.04434	0.4
104.75649	0.3
105.07051	0.7
115.05453	0.7
117.07017	0.7
123.75389	0.3
124.11204	0.6
128.06241	1.8
129.07002	4.5
131.04924	0.4
131.08574	5.5
133.06500	0.8
133.10115	0.4
135.85957	0.3
141.07013	2.0
142.07796	0.6
143.08566	1.3
144.05710	2.3
145.06499	1.2
145.20908	0.3
146.07274	0.9
147.08061	0.5
153.06918	0.4
155.06052	0.3
156.05644	0.5
157.06500	2.6
158.07262	0.5
159.06798	0.6
159.08063	9.7
161.06032	0.5
161.09631	2.3
167.07022	0.7
169.06396	0.5
169.07623	1.0
170.07222	1.5
171.08032	2.1
172.05203	1.3
173.05988	1.1
174.06735	0.8
175.07535	0.9
177.05515	0.4
187.07553	8.9
189.05550	0.5
189.09105	4.0
191.06987	0.6
193.08482	0.4
198.06703	0.7
199.07518	1.0
201.05473	0.4
203.07063	1.4
204.07790	5.1
205.08597	0.8
206.09441	0.6
216.07907	1.5
217.08655	0.6
218.09439	0.6
219.10149	1.7
221.08168	0.6
221.11739	1.1
231.10182	3.0
234.08752	0.3
237.11288	0.9
249.11229	100.0
250.11632	0.6
267.12350	2.7
411.16071	0.3
431.38208	0.3
503.51227	0.4
596.96844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.6
55.05511	4.1
56.05013	1.0
56.96548	0.7
57.98793	1.3
58.99585	16.8
63.59024	0.6
67.05511	7.2
69.03433	1.2
69.07068	6.4
70.75371	1.9
76.02229	73.0
76.04001	2.5
79.05496	6.1
81.03420	0.8
81.07055	11.8
83.04993	3.2
83.06092	1.6
83.08607	1.7
84.04506	13.8
85.02884	0.7
86.99043	4.5
88.02204	1.3
91.05485	8.5
93.07053	8.4
95.04961	3.1
95.08613	7.3
97.06530	1.6
97.10158	1.0
99.05569	0.8
105.07030	11.3
107.04957	2.5
107.08619	6.8
109.02911	0.9
109.06519	4.8
109.10175	3.5
111.08073	1.0
112.97891	0.6
116.01682	21.9
117.07011	2.8
119.08595	6.2
121.06528	4.2
121.10151	3.7
123.08059	2.2
123.11710	0.8
124.02140	0.8
125.09629	1.2
129.06680	2.2
130.05000	4.9
131.08560	6.9
133.06464	0.8
133.10138	6.6
135.08055	2.3
135.11697	2.6
137.05994	0.6
137.09605	1.1
141.04846	0.7
142.03227	8.2
143.08588	1.3
144.01143	11.0
145.06256	1.4
145.10156	5.1
147.04320	0.6
147.08026	1.5
147.11699	3.7
149.09610	2.1
149.13219	1.2
151.11166	2.2
153.01791	0.7
155.08635	1.1
157.10100	1.9
159.08101	1.2
159.11697	3.7
161.09619	1.7
161.13257	1.4
162.02206	40.7
163.11169	1.7
170.02728	2.7
173.09613	1.1
173.13223	2.5
175.11157	1.5
177.12764	0.8
179.04860	100.0
183.11624	1.5
187.05357	2.8
187.11241	1.5
188.03886	0.8
189.12805	1.1
191.14294	1.6
201.12714	1.1
207.13754	3.7
215.04904	1.7
215.14191	0.7
219.13814	1.4
229.19370	1.1
231.17477	0.8
233.05911	12.1
233.08029	1.1
239.18105	1.1
245.05832	3.7
247.20665	0.8
257.18994	5.2
271.05978	1.2
273.18530	3.4
275.20078	29.9
275.23093	1.4
284.20581	0.7
290.08127	1.2
291.06421	2.1
291.19537	2.6
293.17770	1.0
293.21103	19.3
308.09128	30.6
333.18942	1.1
350.21478	1.5
351.20023	0.8
368.22620	9.4
453.24280	3.5
460.50250	0.8
471.25281	1.9
525.26154	3.7
582.28229	1.1
600.29425	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	599.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.8
54.85279	2.7
55.05513	23.3
57.03421	5.9
57.07066	5.8
67.05171	3.1
67.05506	59.3
69.07071	24.7
70.24672	3.0
71.62032	4.2
71.62365	3.3
79.05493	35.8
81.07059	76.2
83.08620	13.9
85.06538	4.7
91.05059	2.7
91.05486	29.1
93.07048	52.1
95.04957	2.5
95.08610	61.7
97.10162	5.8
99.08021	3.7
105.06478	2.6
105.07035	29.3
107.08601	34.8
109.10161	33.7
117.06995	10.5
119.08588	32.3
121.10147	26.6
123.11668	10.6
125.09649	5.1
129.06999	5.7
131.08568	23.7
133.10138	24.3
135.11720	17.7
137.13164	6.6
141.07036	3.7
143.08543	9.0
145.09219	2.7
145.10156	27.4
147.11716	18.7
149.13200	10.1
151.14810	3.1
157.10085	11.1
159.11714	21.9
161.13306	14.8
163.14786	6.2
163.86592	3.3
169.10068	4.6
171.11650	8.7
171.46881	3.3
173.13258	13.0
175.14839	5.8
183.11658	5.9
185.13219	4.0
187.14767	7.7
189.16373	2.9
199.14867	5.2
201.16402	6.4
203.17938	3.0
213.16382	3.8
217.19536	3.6
227.17982	4.1
245.18903	5.2
247.20572	4.1
259.20474	5.2
261.22049	6.6
263.23691	5.2
321.24170	9.2
323.25760	4.2
333.24396	3.3
335.25769	7.6
337.27295	5.5
353.17349	3.1
507.42218	6.0
581.45172	11.6
599.46533	100.0
599.60663	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	599.4097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.8
55.05515	2.9
55.24303	0.5
57.07077	5.3
59.04974	1.8
65.03933	1.4
65.57885	0.5
67.05505	7.3
69.03427	7.2
69.07082	3.0
70.80257	1.5
71.01334	0.6
71.04961	0.5
77.03922	0.8
79.05497	8.4
81.03398	1.1
81.07062	12.1
83.04984	3.0
83.08594	1.0
85.06547	4.6
91.04961	1.0
91.05483	13.8
93.07046	20.8
95.04970	4.7
95.08057	0.7
95.08611	12.0
97.06541	3.1
103.05431	1.3
105.07035	24.0
107.04936	1.4
107.08597	11.8
109.06517	6.0
109.10154	4.9
111.08057	1.6
115.05444	1.6
117.07004	4.9
119.04948	0.6
119.08590	25.3
121.06499	4.9
121.09299	0.9
121.10145	14.9
122.07323	0.8
123.08077	11.1
123.11695	1.4
125.05972	2.4
125.09570	0.8
128.06204	3.5
129.07001	4.6
130.07758	1.8
131.08577	10.0
133.06451	1.5
133.10138	11.4
135.08066	10.7
135.11711	3.6
137.05978	1.2
137.09628	12.5
139.07541	1.8
141.06973	2.1
142.07784	6.4
143.08565	8.3
144.09312	2.0
145.06415	1.0
145.10123	15.2
146.07318	1.1
147.08051	24.5
147.11685	3.6
148.08743	1.1
149.09621	4.4
151.07561	9.1
153.06958	1.3
153.09151	0.7
154.07750	1.2
155.08563	4.6
156.09305	4.2
157.08916	1.1
157.10135	15.7
158.10820	1.0
159.08096	3.6
159.11702	10.0
160.12431	0.7
161.09631	4.8
161.13235	5.1
163.11203	7.7
165.06908	2.0
165.09116	45.7
166.07762	0.9
167.08562	1.8
167.10719	1.3
168.09354	3.6
169.10133	7.4
170.10933	3.1
171.08081	1.1
171.11693	10.0
172.08826	1.3
173.09583	2.9
173.13280	4.0
175.11159	2.4
175.14804	2.2
177.09097	2.2
177.12740	1.4
179.08517	2.3
179.10684	0.8
180.09436	0.7
181.10188	4.2
181.12231	6.9
182.10892	2.2
183.11690	12.6
184.12451	0.9
185.09581	1.3
185.13266	7.5
187.11160	2.5
187.14835	2.0
188.12042	0.8
189.12747	4.5
191.10661	4.2
191.14299	1.9
193.10121	2.5
194.10965	0.9
195.11674	4.2
195.13759	1.5
196.12488	2.2
197.09624	0.8
197.13242	4.4
199.11165	2.5
199.14792	1.3
201.12732	2.1
203.14316	15.2
204.29509	0.6
206.10881	0.8
207.11702	3.1
207.13811	5.2
208.12434	1.3
209.13257	5.8
209.15152	1.0
210.13928	0.8
211.11153	1.7
211.14795	5.6
213.12785	2.5
213.16316	0.5
215.14203	1.2
219.11673	1.0
219.13684	0.7
220.12453	1.1
221.15366	100.0
223.14774	1.5
225.12741	1.6
225.16331	1.7
227.14368	1.2
229.12317	0.8
229.15877	1.8
231.11818	0.8
231.13841	1.2
233.13208	1.6
233.15370	2.3
234.14140	0.7
235.14857	1.3
235.17038	0.8
237.16446	1.0
239.14351	1.0
241.15918	0.9
243.11729	0.7
245.13086	0.7
247.16982	17.1
249.16443	1.5
251.14294	0.8
251.18024	1.4
253.15942	1.0
261.12964	0.5
261.16312	1.2
263.18164	1.4
269.18918	0.8
271.17047	1.3
273.16263	0.9
275.17853	0.8
277.16006	0.7
281.19055	2.6
285.18542	1.3
286.19522	1.2
287.20139	7.0
291.17560	0.8
299.20184	5.2
301.21570	1.9
311.20029	1.5
312.17035	0.6
313.21942	1.0
325.21664	1.8
327.23224	2.2
335.20117	1.2
339.22495	0.8
365.24802	4.5
373.25256	1.1
377.24942	0.8
391.26352	9.2
413.26874	1.9
419.29315	2.9
427.28546	5.3
453.30075	1.8
507.34802	7.5
519.34906	3.5
543.34589	1.0
563.38464	0.7
581.39795	2.4
599.40997	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1586
Annotation	Unknow
Peak:m/z	Relative Intensity
60.90214	1.1
69.53561	1.2
69.77917	7.4
98.20625	1.3
98.26530	1.3
108.24261	1.3
117.21227	1.2
149.02107	14.6
154.12186	1.2
185.02936	4.4
185.04262	4.0
252.36824	1.2
275.04062	1.9
277.76413	1.3
293.05145	2.2
311.07382	100.0
489.52228	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60307	1.1
63.99530	1.1
69.17973	0.9
71.59556	1.2
75.16500	1.2
98.97551	1.8
101.65950	1.2
148.90265	1.0
149.02104	15.6
153.01840	1.6
156.41258	1.2
167.92551	1.1
175.63899	1.2
178.82430	1.1
185.02844	1.4
185.04283	2.0
218.93091	4.5
219.01814	1.1
236.94124	2.6
248.94096	2.0
271.91104	1.1
277.03543	2.3
278.95209	3.1
293.05182	1.4
311.07376	100.0
338.97095	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	599.2161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.1
55.01870	1.4
55.05514	2.2
57.03434	1.4
58.99590	11.5
63.08696	0.6
65.03946	1.2
67.05505	1.2
69.03430	86.6
71.04993	2.0
73.01127	1.6
73.02922	1.1
75.02708	2.3
81.03416	14.4
82.33425	0.6
83.04987	2.4
85.01132	4.3
85.02911	2.6
86.99054	14.3
87.04477	4.0
89.04256	2.0
91.05455	0.7
93.07043	1.3
95.08613	1.0
97.02897	4.3
99.02673	8.2
99.04470	3.7
101.00623	1.7
103.02181	2.2
105.00095	16.3
105.07069	0.8
109.02879	36.0
109.10157	6.6
111.04459	0.8
113.00581	3.3
117.03729	8.5
121.10138	2.2
123.08087	1.1
127.03918	100.0
133.10065	0.9
137.05974	1.1
137.09612	4.2
139.11182	43.0
141.05432	1.2
143.03377	1.4
145.03188	10.0
145.04977	1.5
147.01091	5.5
147.11693	1.3
149.02669	1.6
151.03900	0.6
151.07553	2.1
153.01791	0.6
159.01115	1.1
163.04243	9.6
165.09109	4.6
167.07063	1.5
173.02693	2.0
183.04778	5.4
183.10138	1.6
185.02594	0.9
189.12755	1.0
191.03728	6.1
197.04443	2.0
201.09859	0.7
205.05376	0.8
207.13802	17.2
213.02199	1.3
227.07379	1.1
229.12219	0.8
231.03217	4.0
233.04771	1.8
239.11002	15.7
245.04808	1.3
247.13255	2.0
265.12692	0.6
265.70703	0.7
271.06366	1.5
283.13638	33.8
289.07373	0.9
299.05814	1.5
311.12900	0.7
317.06870	3.8
329.14276	5.2
353.14142	1.6
371.15155	3.3
383.15134	1.0
437.16315	10.1
455.17178	2.1
473.18304	0.7
533.20526	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2495
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49249	4.2
55.05511	4.8
56.09410	4.7
61.29654	4.2
69.03434	9.7
70.06606	6.6
70.91398	11.1
81.03422	17.6
84.08121	6.0
85.02898	16.0
86.09697	6.0
91.05470	7.2
93.07031	4.2
95.04970	9.5
97.02866	6.5
103.05450	5.1
105.07027	8.6
107.04958	8.5
109.02929	4.9
111.30351	4.2
115.05457	6.6
117.07033	10.5
119.08626	4.7
121.10159	4.4
123.04389	10.1
124.11237	100.0
127.03993	6.7
133.10094	4.5
145.06496	27.2
147.04353	6.5
147.08160	6.2
156.05676	5.9
159.08061	9.8
167.07080	33.3
170.07219	10.8
173.05986	53.1
177.05493	5.0
183.06570	7.7
187.07619	9.2
189.09361	5.2
190.06322	21.7
203.07086	9.5
205.08614	75.6
217.08621	37.4
219.10153	17.1
231.10147	13.0
235.09683	20.3
244.05974	7.4
265.10794	25.0
349.79019	4.3
383.15005	6.4
401.16006	71.4
419.16800	5.2
562.26770	5.4
586.97247	4.8
598.26050	19.8
598.35638	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66182	1.0
51.05167	1.0
53.03930	2.3
57.03437	1.6
67.00224	1.2
69.03436	2.5
69.62991	7.7
79.05506	2.9
81.03420	13.1
85.02904	11.0
86.09715	2.3
91.05470	2.7
95.04965	2.8
96.08149	1.1
97.02893	3.2
103.05476	2.8
105.07039	2.8
107.04945	8.9
108.19524	1.0
114.25923	1.2
115.05434	7.8
117.07022	14.6
119.08533	1.3
119.16130	1.4
123.04436	5.2
124.11253	6.5
127.03936	2.3
128.06270	1.8
129.07021	2.8
131.04926	1.8
131.08575	4.0
133.06467	2.9
137.06004	1.6
141.06960	2.6
142.07799	1.2
142.48752	1.1
144.05679	3.9
145.04919	2.3
145.06488	28.3
147.04425	2.6
147.08040	1.3
152.04759	1.1
153.01970	1.5
155.06027	4.9
155.07086	1.5
156.05681	6.5
157.06511	2.0
159.08064	6.2
161.06000	4.0
163.04021	1.2
167.07048	48.8
170.07256	2.6
171.08145	1.5
173.05995	57.4
175.03873	1.9
175.07458	1.4
180.08768	5.6
181.04967	1.7
183.06580	4.5
184.05164	2.1
187.07549	8.8
190.06244	34.6
190.07962	1.8
191.06987	2.0
193.08595	3.6
198.42999	1.0
202.06236	5.0
203.07033	6.4
204.07767	1.2
205.08607	100.0
207.06496	2.0
217.06496	2.0
217.08603	41.3
218.07312	1.6
218.09349	2.2
219.08145	1.5
219.10063	8.9
223.09534	2.4
231.10239	5.1
235.07646	1.0
235.09642	27.0
235.11798	2.1
247.07526	1.6
247.09644	7.4
259.70966	1.3
263.10730	1.5
265.10760	26.1
271.06094	3.0
271.09528	2.1
272.06332	2.9
277.08707	2.5
291.10297	2.1
293.01505	1.1
305.07861	1.2
307.09796	1.4
309.07669	1.2
309.11081	1.2
315.08646	4.1
319.09842	1.7
330.10938	4.4
331.11603	2.3
351.12274	3.8
369.13367	3.1
371.14890	2.6
376.09189	2.1
383.14926	10.2
401.15982	40.1
419.16910	2.6
436.11047	2.8
436.17148	1.8
598.22931	3.9
598.36353	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82042	3.6
54.90866	3.1
55.05521	17.2
57.03434	7.3
57.07067	4.0
67.05512	69.5
69.07057	10.0
71.04992	24.1
78.43411	3.3
79.05489	37.7
81.07056	90.7
83.04963	3.8
83.07563	4.0
83.08615	11.1
85.06525	6.9
88.07617	3.7
91.05499	30.3
93.07059	49.2
95.08609	30.6
97.06541	7.7
102.09171	3.8
102.68718	3.5
105.07022	23.3
107.08591	18.5
109.10158	12.3
112.03209	3.2
117.07004	9.9
119.08601	9.9
121.10158	12.9
123.11713	15.6
131.08554	7.4
133.10133	14.6
134.46262	4.8
135.11717	7.9
142.53865	3.7
145.10139	5.8
149.13255	7.9
151.11197	8.7
159.11703	5.7
187.13228	5.3
195.13765	3.5
234.87706	3.9
261.21988	5.3
301.19983	19.0
311.29489	8.5
312.32660	10.6
335.25867	39.7
350.78928	4.8
383.54861	3.4
398.08267	3.8
482.96640	4.1
503.37323	100.0
503.44797	5.2
529.38892	6.0
554.26111	3.5
561.34753	4.1
561.41602	45.6
596.59473	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	595.1662
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03934	0.5
55.01863	0.6
57.03436	1.9
68.99789	0.4
69.03426	1.4
69.12251	0.3
71.04999	10.2
81.03415	0.6
83.05000	0.6
85.02911	14.8
87.04485	0.5
91.03954	0.4
97.02899	0.9
99.04485	0.4
107.04945	0.4
111.00798	0.5
111.04412	0.6
119.04927	0.4
121.02890	2.0
124.11269	0.4
126.01044	0.4
127.03905	1.2
129.05481	3.1
137.02348	0.8
145.04909	0.7
147.04427	1.5
147.06509	0.7
153.01831	3.7
159.55788	0.3
165.01852	1.5
183.02905	0.7
213.05452	1.2
215.23238	0.3
231.06548	0.7
239.94005	0.4
241.04980	0.6
258.05130	0.9
259.06076	0.5
271.06003	5.6
287.05505	100.0
288.05853	1.0
329.06412	0.4
499.91693	0.4
595.21954	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.7
60.67606	0.1
60.86104	0.1
65.03928	0.3
67.05507	0.8
68.05029	0.4
69.03442	0.1
69.53018	0.2
69.53424	0.9
70.06574	0.2
71.04974	0.1
75.79489	0.1
77.90428	0.1
79.05478	0.6
79.64434	0.1
81.07054	0.3
82.06585	2.5
83.07335	0.2
85.02876	0.2
91.05475	0.5
94.06554	0.2
95.07351	0.2
95.08617	0.3
96.08133	3.6
98.09698	0.6
98.20789	0.3
109.08889	0.2
109.36914	0.1
115.62892	0.1
119.04939	0.4
122.09666	0.2
124.11230	100.0
125.11539	0.7
145.06493	0.4
147.04407	1.7
147.08055	1.5
153.01981	0.3
173.06038	0.3
191.07103	0.2
270.14978	0.5
288.15952	1.1
303.04718	0.2
344.33398	0.1
596.24963	5.4
597.25128	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Apigenin 7-allosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
51.00957	0.1
52.61033	0.1
63.79115	0.1
67.01836	0.2
68.99795	0.2
70.95054	0.3
91.05474	0.2
98.97552	0.1
119.04942	1.1
121.02837	0.3
124.11251	0.1
145.02812	0.2
153.01834	3.1
153.02971	0.1
163.03883	0.2
171.02896	0.2
229.04919	0.2
235.33502	0.1
243.06659	0.1
259.15936	0.1
271.06006	100.0
272.06281	0.9
287.05591	0.3
318.66046	0.1
399.34686	0.1
433.11325	21.1
434.11545	0.3
595.16138	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78647	0.1
56.96604	0.1
58.59171	0.1
62.54681	0.1
65.03937	0.2
67.01865	0.7
68.99775	0.5
69.03421	0.2
69.34485	0.4
69.34901	0.3
79.05486	0.1
81.03421	0.7
85.02902	0.2
87.04477	0.1
89.03918	0.3
91.04951	0.1
91.05483	1.6
95.08639	0.1
97.02898	0.2
98.97559	0.2
99.04407	0.1
105.07027	0.1
107.04946	0.2
109.02848	0.4
109.10163	0.1
111.00833	0.1
115.05411	0.1
117.03372	0.3
119.04943	4.0
127.03916	0.2
127.12243	0.1
129.01855	0.2
131.04897	0.1
133.10121	0.1
135.03369	0.1
135.04417	2.1
136.07536	0.2
137.02356	0.6
139.20068	0.1
147.04407	25.9
148.04756	0.2
153.01825	6.1
161.02354	0.8
164.06985	0.1
165.05470	0.7
166.67830	0.1
167.07010	0.1
167.20876	0.1
171.02879	0.6
179.03328	0.4
185.05962	0.1
201.05515	0.1
213.05472	0.2
218.03482	0.1
219.06432	0.1
231.06363	0.1
240.70674	0.1
241.04921	0.5
245.04480	0.1
259.06000	0.2
263.05615	0.1
269.04404	0.5
271.06128	0.1
287.05490	100.0
288.05786	1.1
291.08594	1.9
296.31357	0.1
309.09717	0.6
330.11090	0.1
339.12192	0.1
341.14429	0.1
403.19592	0.1
403.27570	0.1
535.24097	0.3
595.14124	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
53.03930	0.4
55.01869	0.7
55.05497	0.5
56.96559	0.4
61.87460	0.4
65.03940	2.2
67.01851	0.6
67.05506	0.7
68.99796	0.5
69.03418	1.4
69.07060	0.8
69.34632	3.4
71.04984	0.6
79.05484	0.8
81.03416	2.7
81.07057	0.7
84.25000	0.4
85.02911	1.6
85.06535	0.6
86.42622	0.3
89.03908	0.6
91.05481	11.6
93.07017	1.0
95.08606	1.0
97.02902	0.8
97.06529	0.4
98.97556	0.8
99.04438	0.9
103.05507	0.6
105.07049	1.5
106.35812	0.3
107.04966	1.3
107.08582	0.9
109.02869	1.6
109.06477	0.4
109.10126	0.7
111.04416	0.4
115.05489	0.6
117.07025	0.4
119.04947	23.3
119.08547	0.6
121.10104	0.5
123.04401	0.4
123.08066	0.4
123.11720	0.4
125.09633	0.4
127.03899	1.4
131.04913	0.8
131.08517	0.5
133.10141	0.8
134.03758	0.3
135.04410	2.8
135.08054	0.7
136.07555	0.8
137.02347	0.8
137.05978	0.9
145.06454	0.5
145.10135	0.5
147.04413	100.0
148.04732	0.8
151.03944	0.4
151.07516	0.7
153.01840	5.5
161.02362	0.5
161.05945	0.5
161.09581	0.5
163.03911	0.9
164.07028	0.7
165.05444	2.0
167.07042	4.3
171.02956	0.7
177.05545	0.4
177.09183	0.4
179.03389	0.4
179.07060	0.5
179.08472	0.5
181.04942	2.1
187.07593	0.4
189.12724	0.5
191.10612	0.3
205.08646	0.4
207.06541	0.5
217.08684	0.5
219.77303	0.4
234.98238	0.4
235.09689	0.4
237.02736	0.4
269.04303	0.4
271.05963	1.6
287.05502	87.3
288.05756	1.4
291.08588	5.2
309.09610	1.6
337.10910	0.6
339.12085	0.7
391.26270	0.4
416.14575	0.4
433.25198	0.4
449.10617	1.0
459.00296	0.5
535.23792	0.5
577.19824	0.5
595.14429	1.0
595.22046	1.2
595.31750	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1449
Annotation	Kaempferol 3-(3''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
65.03942	0.3
67.01871	0.6
68.99800	0.4
69.03410	0.1
70.27449	0.2
70.27818	0.2
81.03412	0.7
89.03905	0.3
91.05481	1.6
107.04939	0.2
109.02872	0.3
109.59623	0.1
111.04433	0.2
117.03390	0.3
119.04944	3.4
127.03883	0.1
135.03375	0.1
135.04420	2.1
137.02353	0.6
137.03226	0.1
147.04410	26.1
148.04770	0.2
153.01825	6.1
161.02267	0.5
165.05466	0.4
171.02892	0.3
175.07533	0.1
179.03355	0.3
181.04988	0.1
185.05923	0.1
203.03516	0.1
213.05418	0.2
241.04889	0.6
245.04405	0.1
259.06165	0.1
263.05316	0.1
265.29010	0.1
269.04303	0.5
287.05496	100.0
288.05783	1.4
291.08615	1.7
309.09607	0.6
339.12469	0.2
368.06494	0.1
403.20026	0.2
535.24329	0.2
571.42413	0.1
572.56006	0.1
595.14209	0.2
595.22937	0.1
595.31848	0.1
623.22632	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	595.1449
Annotation	Kaempferol-3-Glucoside-6''-p-coumaroyl
Peak:m/z	Relative Intensity
51.02380	0.2
52.95045	0.2
53.03951	0.3
53.77117	0.2
54.62156	0.1
57.03434	0.2
65.03934	1.3
67.01865	0.6
68.09004	0.1
68.99824	0.4
69.03433	0.8
69.59422	0.4
69.59853	0.6
79.05501	0.2
80.40990	0.1
81.03418	3.2
85.02907	0.8
91.05482	10.4
99.04469	0.3
109.02891	1.2
117.03381	0.3
119.04947	22.3
127.03902	0.6
135.04402	2.0
137.02353	0.7
138.44437	0.2
147.04411	100.0
148.04724	0.7
150.81871	0.1
153.01828	5.9
161.02367	0.8
163.03882	0.3
165.05476	1.5
167.07045	0.2
168.92279	0.2
171.02885	0.6
179.03360	0.3
183.04330	0.2
185.05988	0.2
199.03941	0.2
201.37944	0.2
205.20874	0.2
219.06560	0.2
241.04985	0.5
259.05920	0.2
269.04361	0.3
271.06030	0.8
286.04636	0.3
287.05499	96.2
288.05920	0.8
291.08636	5.4
309.09726	1.9
313.03455	0.2
391.08215	0.3
449.10626	0.6
595.14386	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.1
57.03419	0.1
57.61560	0.1
65.03932	0.1
65.06305	0.1
65.22836	0.1
65.42340	0.1
67.01869	0.6
67.05490	0.2
68.99796	0.3
69.03420	0.4
69.07056	0.3
71.05001	0.1
71.61962	0.1
79.05489	0.2
81.03419	0.3
81.07045	0.3
83.04954	0.1
85.02889	0.3
89.03909	0.1
91.05470	1.1
93.07048	0.2
95.05009	0.2
95.08626	0.2
97.02879	0.1
99.04465	0.2
104.77190	0.1
105.07034	0.3
107.04969	0.5
107.08575	0.3
109.02872	0.3
109.06493	0.2
109.10162	0.4
111.04460	0.2
115.05445	0.1
117.03397	0.2
117.07065	0.2
119.04945	1.9
119.08564	0.4
120.27969	0.1
121.06496	0.2
121.10156	0.1
123.04461	0.2
123.08065	0.2
124.11242	0.1
127.03924	0.2
129.01883	0.1
129.07014	0.1
131.04929	0.2
131.08562	0.1
133.10094	0.2
135.04424	2.2
135.08061	0.2
135.11665	0.4
136.07539	0.1
137.02371	0.5
137.03319	0.1
137.05974	0.2
137.09642	0.2
143.01953	0.1
145.50981	0.1
147.04414	10.3
149.06140	0.1
151.03941	0.1
151.07529	0.3
153.01833	5.5
159.08124	0.2
161.02290	0.7
161.05963	0.2
161.09615	0.1
163.03931	0.2
165.05498	0.3
165.09109	0.1
167.07034	1.1
171.02914	0.5
175.14786	0.3
177.05464	0.2
179.03374	0.3
179.07068	0.1
181.04982	0.6
185.05969	0.1
189.05432	0.1
192.14435	0.1
193.15858	0.3
195.06477	0.1
203.07028	0.1
205.08583	0.1
211.16914	0.3
213.05498	0.2
219.06383	0.2
223.09639	0.2
231.06345	0.1
236.64691	0.1
241.04968	0.6
245.04572	0.1
259.05951	0.1
269.04434	0.4
271.05954	0.2
287.05499	100.0
288.05814	1.1
291.08640	0.4
369.13205	0.2
385.13315	0.1
387.21817	0.1
416.14688	0.3
523.98975	0.1
555.81012	0.1
595.14276	0.5
595.21967	0.4
595.30560	0.3
610.36395	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	593.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	6.4
59.29243	6.0
65.98860	5.8
67.05505	24.1
69.03426	16.0
69.07076	7.4
70.85770	9.3
70.86109	8.9
71.05006	15.4
79.05503	11.9
81.03409	17.3
81.07058	19.5
85.02890	13.2
85.06541	13.4
91.05489	20.9
93.07047	21.4
95.05008	7.5
95.08604	61.2
97.02876	14.0
99.04478	33.0
100.74229	6.5
105.07029	100.0
107.04951	11.5
107.08595	23.4
109.02912	11.6
109.06532	12.0
109.10146	7.5
113.06022	9.4
117.07014	6.6
117.55822	5.8
119.08616	34.5
121.06523	11.9
121.10159	15.9
123.08054	24.3
123.39376	7.2
124.11256	11.9
127.03915	19.9
131.08606	9.9
133.06477	13.3
133.10127	69.7
135.11630	9.9
137.06071	10.0
143.08565	9.0
145.10123	11.9
147.08109	18.8
147.11674	14.8
149.09598	58.3
151.07553	11.3
159.08102	11.1
161.09641	75.4
161.13303	9.2
163.11154	40.6
171.11729	7.3
179.10718	32.3
189.09120	33.5
189.12744	26.4
191.14273	6.5
207.10190	23.2
207.13799	77.9
315.12326	7.8
337.10632	7.6
351.14453	35.3
351.32208	7.0
369.15390	13.7
373.36548	6.5
593.33673	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	593.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.4
55.01863	1.3
55.05507	4.4
56.65427	1.2
57.03424	1.3
57.07059	2.3
59.04997	1.8
65.03934	2.0
67.05168	1.2
67.05507	18.2
69.03426	14.4
69.07057	4.0
69.44537	1.0
69.62048	5.5
69.62460	1.6
71.04985	3.3
73.39065	1.1
79.05489	4.9
81.03398	4.0
81.07061	12.6
83.01312	1.1
83.04969	4.0
83.08604	1.1
83.69126	1.0
85.02905	44.8
85.06544	7.6
91.05476	7.8
93.07050	8.1
95.04974	3.0
95.08607	48.7
96.53412	1.2
97.02899	6.7
97.06544	1.6
98.20675	1.5
99.04464	4.5
103.05521	1.6
105.07026	26.6
107.08600	12.0
109.02882	3.9
109.06519	10.0
109.10157	20.8
109.10896	1.4
111.04436	4.3
113.05994	5.0
117.07008	2.6
119.08579	31.3
121.06509	3.6
121.10146	18.2
123.04465	1.5
123.08082	21.5
123.11701	50.6
125.05996	12.3
127.03917	15.4
128.06189	1.3
129.07002	1.8
130.07724	1.8
131.08571	5.6
133.06496	3.0
133.10100	4.5
135.08069	1.6
135.11673	5.7
137.09610	3.4
139.07523	2.2
143.08562	1.6
145.04945	4.7
145.10127	7.6
147.08052	6.0
147.11690	41.1
149.09621	31.0
151.07547	13.1
151.14859	1.6
156.09322	6.9
159.08044	3.1
160.08829	1.6
161.09595	1.7
161.13248	8.6
163.11151	5.4
165.12741	4.4
167.10654	11.9
171.11708	6.0
174.10431	7.5
175.11121	1.4
179.14392	1.4
189.12744	59.4
207.13802	100.0
208.14177	1.4
213.12796	1.5
225.14845	17.1
236.07433	1.1
247.16898	1.1
251.09143	2.1
255.13887	2.3
277.38837	1.0
300.96463	1.0
307.13791	2.1
309.14056	1.3
309.71634	1.1
315.16153	1.1
318.66455	1.8
333.16953	28.4
351.18039	53.5
369.14600	1.7
369.19080	20.0
377.24326	1.2
387.20059	2.8
395.25925	3.0
399.19089	1.2
399.68738	1.9
413.26724	3.5
575.31909	1.1
593.22040	2.8
593.32880	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90384	0.3
65.43617	0.3
67.05471	0.4
71.09323	0.3
71.34813	0.4
79.05439	0.3
93.06994	0.4
94.69185	0.3
99.05704	0.3
183.60887	0.3
209.10713	0.4
227.56833	0.3
235.20361	0.3
242.08636	0.3
387.16357	0.4
388.16724	0.4
389.17477	1.0
401.17410	0.4
402.18427	1.1
403.19220	3.5
404.19937	0.9
405.20813	1.6
415.19479	0.4
416.20361	0.9
417.16547	1.5
417.21512	4.2
418.21655	2.5
419.22369	3.5
430.17709	1.3
431.18307	8.7
432.18372	1.9
432.24020	0.6
433.24118	7.9
434.24854	1.4
444.19226	0.5
445.19931	11.6
446.20761	4.7
447.21790	5.2
449.23172	0.6
459.21524	4.0
460.22562	13.3
461.23297	13.1
463.21765	0.5
473.23734	2.3
474.24185	1.1
476.25519	1.1
477.27390	0.6
487.25116	1.1
489.26822	0.6
491.24390	0.9
492.25262	1.1
505.22018	4.9
518.22919	0.5
519.23669	0.8
533.25470	43.6
534.25916	1.7
535.24591	0.4
547.26593	0.5
564.23297	0.6
565.28326	1.1
575.26544	0.6
593.27563	100.0
594.27905	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	592.406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.9
55.05499	4.2
56.05032	3.6
56.30269	0.9
57.03444	0.9
57.07075	1.1
60.04530	1.6
67.05506	12.0
69.03416	3.4
69.07057	3.4
69.63373	6.2
71.04992	2.8
79.05495	12.0
80.05019	2.5
81.03417	2.2
81.05804	1.3
81.07057	11.4
82.06561	5.4
83.08602	3.6
85.02890	2.0
85.06535	1.8
85.52370	0.9
87.04482	2.6
90.23573	0.9
91.05497	5.2
93.07046	20.9
94.06012	1.2
94.06573	17.4
95.04939	3.0
95.08604	18.7
96.08137	3.4
97.06525	4.0
97.10168	2.2
105.07044	10.1
107.07318	3.3
110.09692	10.7
111.08085	12.0
122.09675	33.5
123.08078	27.7
128.10730	32.6
140.10709	100.0
141.09113	11.2
158.11749	7.7
165.51866	0.9
170.70399	1.0
203.98396	1.0
239.14539	0.9
242.12988	1.0
254.24686	1.5
272.25882	9.0
290.28439	1.0
376.31821	1.1
382.33173	8.4
394.33215	16.9
401.21991	1.2
412.34253	45.9
512.53003	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
71.10763	0.2
71.11112	0.3
77.55344	0.2
79.92509	0.2
127.07197	0.2
133.59680	0.2
166.30640	0.2
196.97908	0.2
209.10712	0.3
209.59642	0.2
220.04465	0.2
221.10794	0.4
223.12321	0.2
232.74252	0.2
233.10643	0.2
375.16171	0.3
387.15833	0.3
388.16708	0.4
389.17645	1.0
390.18842	0.3
391.19235	0.3
392.20352	0.2
400.17834	0.2
401.17853	0.7
402.18500	1.1
403.19235	2.7
404.20181	1.3
405.20724	2.0
406.21307	0.3
415.15091	0.4
416.15613	0.3
416.20389	0.5
417.16534	1.2
417.21536	3.5
418.21942	1.8
419.22360	4.5
429.16788	0.3
430.17270	0.9
431.18243	9.0
432.18704	2.1
433.24243	5.9
434.24988	1.2
444.18649	0.3
444.24072	0.3
445.19968	10.4
446.20767	4.8
447.21732	5.8
448.22595	0.3
449.23230	0.5
458.20807	0.5
459.21619	3.4
460.22580	11.2
461.23242	9.5
462.19934	0.5
463.20996	0.3
473.23755	2.3
474.24014	0.6
475.21384	0.2
476.26099	0.9
477.22781	0.7
477.27731	0.3
487.25528	1.0
488.26172	0.2
489.26733	0.3
491.25308	1.0
492.25629	1.1
493.25879	0.3
504.21198	0.4
505.21942	5.5
515.23981	0.3
518.23358	0.5
519.23743	0.9
533.25500	25.8
534.25995	0.9
547.27240	0.3
549.46686	0.2
564.23822	0.6
565.28265	0.7
575.26831	0.3
593.27570	100.0
594.27838	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	591.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01850	2.0
55.05513	12.9
57.03443	11.4
57.06818	3.0
57.07077	40.7
65.03924	2.2
67.05509	61.7
69.07072	18.2
69.67964	10.8
70.26949	1.8
71.08634	29.7
79.05495	38.5
81.07062	65.8
83.08608	15.7
85.10184	14.6
91.05047	1.6
91.05491	17.0
93.07047	38.9
95.04944	3.3
95.08609	54.9
97.10157	6.1
98.21464	3.2
105.07042	14.8
107.08589	29.0
109.10158	32.4
111.16058	1.7
113.09618	2.0
117.07024	6.1
119.08606	10.0
121.10161	19.8
123.11732	10.9
129.06972	2.3
131.08588	13.5
133.10121	11.1
135.11694	17.2
137.13254	4.1
144.07443	1.8
145.10139	10.7
147.11734	8.2
149.13300	11.4
150.99504	1.7
159.11690	10.2
161.13275	6.6
163.14818	7.1
173.13298	9.9
175.14799	3.7
177.16327	3.8
187.14824	4.8
201.16331	3.2
217.95856	1.6
239.23634	3.9
243.21066	12.4
257.24817	2.7
261.22134	58.5
268.27795	1.9
279.23053	2.1
298.27243	1.9
313.27374	100.0
317.24829	13.4
325.70587	2.2
335.25800	74.1
335.29852	3.6
560.41095	2.3
573.48792	20.5
591.49335	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	590.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.0
57.03443	17.1
57.07075	42.1
60.76351	3.3
67.05508	22.9
68.56575	3.7
69.07052	8.3
71.08641	35.0
71.52425	7.3
79.05471	12.8
81.02966	5.0
81.03423	63.0
81.07063	20.1
83.08617	18.0
85.10172	17.4
91.05468	20.0
93.07040	11.6
95.04959	15.5
95.08594	29.6
97.10200	4.4
105.07022	14.2
107.08580	4.3
109.10148	10.9
111.08070	5.3
119.08558	15.4
121.10123	7.6
123.11662	4.0
129.07002	8.0
131.08559	4.0
133.06464	3.8
133.10158	7.5
147.08028	3.7
147.11662	13.4
157.10083	9.5
175.11156	7.6
193.12253	21.3
241.19409	4.3
259.20483	5.7
267.15945	100.0
313.27405	94.6
314.27774	8.6
395.62131	3.2
505.38992	78.9
517.53748	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	590.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37064	0.6
55.01833	1.0
57.54160	0.6
57.55746	0.7
61.02887	1.4
67.05415	0.6
67.40009	0.6
68.99722	1.9
69.03362	6.6
70.06525	1.9
70.19391	1.9
70.39424	0.6
73.02857	1.4
81.03329	2.4
81.07000	1.5
82.06538	1.5
84.08100	0.6
85.02910	5.9
85.06478	1.4
85.62937	0.6
88.07552	3.1
89.96889	0.6
97.02886	3.5
108.08034	0.7
111.00710	2.7
114.09095	0.9
122.05945	1.1
123.04346	2.8
124.11203	0.9
127.03903	4.1
135.04353	2.3
139.03911	10.6
141.06950	0.8
143.04858	0.7
145.06407	1.3
147.04388	1.5
151.03844	1.8
153.01767	0.9
153.06924	0.9
161.05899	2.2
163.03943	4.7
165.05498	1.1
165.06842	1.1
169.06419	1.0
173.05997	10.0
177.05426	1.2
181.06413	1.6
183.04401	1.1
185.05887	1.1
187.03828	1.5
187.07425	1.2
188.06998	0.7
189.05357	1.0
190.08601	1.2
197.05913	2.9
197.07605	0.6
199.07536	3.7
201.05360	2.4
202.08630	0.8
211.07405	1.0
213.05414	1.8
214.08537	1.8
215.07002	3.3
216.06540	1.1
223.07465	1.2
224.06998	1.1
225.05545	0.8
226.08519	0.6
227.06926	1.3
230.08078	2.8
232.09694	1.2
235.07417	0.7
237.05496	0.6
239.06923	0.8
239.10597	1.1
240.10239	1.5
241.04916	2.6
241.12227	1.2
242.08073	3.1
243.06532	1.2
244.09706	1.2
245.10487	4.6
249.13568	1.2
250.14235	0.9
251.06992	1.0
253.04916	2.1
253.08884	0.9
256.13199	0.6
257.07971	0.9
258.11203	2.1
262.14282	0.7
263.06973	2.7
263.10220	0.8
266.08109	1.3
267.06427	1.8
267.10062	0.7
271.05899	1.1
272.12662	0.8
277.03546	1.1
278.13831	1.8
279.06500	2.8
281.07968	1.5
283.09665	1.7
284.12851	2.2
285.07526	1.6
286.14542	0.7
287.05304	0.7
290.13882	1.1
295.05908	1.4
297.07657	3.7
299.09012	1.1
302.13904	10.0
303.14651	4.1
307.06107	0.7
309.07486	1.7
309.11182	2.1
323.09204	1.2
327.08682	6.7
327.12161	1.2
341.10040	0.8
350.10251	2.1
365.13620	0.8
367.11542	0.9
368.10953	0.7
368.15155	1.6
392.14941	2.1
393.13333	1.0
410.16037	19.8
412.11447	0.7
427.16290	0.7
428.17078	100.0
429.17526	1.8
572.21362	5.7
590.22406	46.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01880	0.7
55.05508	0.5
57.03420	1.2
61.02923	1.0
67.05499	1.0
69.03433	4.4
69.21024	0.3
70.06599	1.2
71.05002	0.8
73.02908	0.5
79.01870	0.4
79.05489	1.3
81.03426	2.3
81.07073	0.9
82.06568	0.6
83.04980	0.4
84.08124	0.4
85.02409	0.6
85.02905	10.0
85.03416	0.5
86.09647	0.3
87.04472	0.9
91.03962	0.7
91.05479	1.5
93.07046	1.1
95.08630	0.5
96.08138	0.5
97.02894	3.6
99.04465	1.1
102.53085	0.3
105.07027	1.0
106.96659	0.4
107.04939	0.6
107.08588	1.0
108.54618	0.4
109.02873	1.5
109.06518	0.4
109.10165	0.6
110.09689	0.8
119.08569	0.5
121.10130	0.4
122.09705	0.8
124.11240	1.9
127.03922	2.5
127.11235	0.4
131.04890	0.6
133.10144	0.5
136.07614	0.4
137.05946	0.4
141.56616	0.4
145.04967	1.6
145.23860	0.4
147.04425	0.6
147.08090	0.5
150.09109	1.3
153.01833	1.7
157.10220	0.4
159.04456	0.4
164.07172	0.4
165.09105	0.5
165.35735	0.4
169.43977	0.3
177.05376	0.4
193.01352	0.4
195.02892	0.7
205.04976	0.5
209.06105	0.4
215.03445	0.7
218.08182	0.9
223.02309	0.7
243.02843	0.6
245.04448	0.4
261.03915	2.1
267.06598	0.8
271.02646	0.4
271.06021	0.7
272.06342	0.7
273.04010	0.7
277.03265	1.0
279.06601	0.6
281.04510	0.5
283.06042	0.8
287.05545	0.8
289.03424	9.8
290.06647	0.7
295.05905	0.5
297.03976	0.7
303.05081	1.2
309.07376	0.4
310.07150	1.4
311.05402	0.8
313.03287	0.5
327.04956	2.0
329.06778	1.0
338.06906	0.7
341.06360	2.3
347.08774	0.5
352.11777	1.1
365.09985	0.7
369.09476	0.4
380.11209	1.3
381.10153	0.4
384.06961	0.6
397.08319	0.5
398.12708	1.7
408.10754	1.7
409.09210	1.4
426.11847	100.0
427.12161	1.9
528.34381	0.3
578.06268	0.5
588.24280	0.6
588.33997	1.3
618.86792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01880	0.7
55.05508	0.5
57.03420	1.2
61.02923	1.0
67.05499	1.0
69.03433	4.4
69.21024	0.3
70.06599	1.2
71.05002	0.8
73.02908	0.5
79.01870	0.4
79.05489	1.3
81.03426	2.3
81.07073	0.9
82.06568	0.6
83.04980	0.4
84.08124	0.4
85.02409	0.6
85.02905	10.0
85.03416	0.5
86.09647	0.3
87.04472	0.9
91.03962	0.7
91.05479	1.5
93.07046	1.1
95.08630	0.5
96.08138	0.5
97.02894	3.6
99.04465	1.1
102.53085	0.3
105.07027	1.0
106.96659	0.4
107.04939	0.6
107.08588	1.0
108.54618	0.4
109.02873	1.5
109.06518	0.4
109.10165	0.6
110.09689	0.8
119.08569	0.5
121.10130	0.4
122.09705	0.8
124.11240	1.9
127.03922	2.5
127.11235	0.4
131.04890	0.6
133.10144	0.5
136.07614	0.4
137.05946	0.4
141.56616	0.4
145.04967	1.6
145.23860	0.4
147.04425	0.6
147.08090	0.5
150.09109	1.3
153.01833	1.7
157.10220	0.4
159.04456	0.4
164.07172	0.4
165.09105	0.5
165.35735	0.4
169.43977	0.3
177.05376	0.4
193.01352	0.4
195.02892	0.7
205.04976	0.5
209.06105	0.4
215.03445	0.7
218.08182	0.9
223.02309	0.7
243.02843	0.6
245.04448	0.4
261.03915	2.1
267.06598	0.8
271.02646	0.4
271.06021	0.7
272.06342	0.7
273.04010	0.7
277.03265	1.0
279.06601	0.6
281.04510	0.5
283.06042	0.8
287.05545	0.8
289.03424	9.8
290.06647	0.7
295.05905	0.5
297.03976	0.7
303.05081	1.2
309.07376	0.4
310.07150	1.4
311.05402	0.8
313.03287	0.5
327.04956	2.0
329.06778	1.0
338.06906	0.7
341.06360	2.3
347.08774	0.5
352.11777	1.1
365.09985	0.7
369.09476	0.4
380.11209	1.3
381.10153	0.4
384.06961	0.6
397.08319	0.5
398.12708	1.7
408.10754	1.7
409.09210	1.4
426.11847	100.0
427.12161	1.9
528.34381	0.3
578.06268	0.5
588.24280	0.6
588.33997	1.3
618.86792	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53688	2.5
51.02407	2.3
53.03933	8.2
55.01852	7.6
55.05510	26.8
55.32648	2.4
57.03438	14.5
57.07069	3.9
60.28884	2.3
65.03957	3.3
67.05159	4.6
67.05504	76.0
69.03417	2.9
69.07063	14.9
71.01357	5.1
71.04999	4.0
71.61711	5.0
79.05492	51.0
80.63308	2.4
81.03418	28.7
81.07051	63.3
81.89881	2.3
83.04989	5.8
83.08621	9.8
91.05481	39.3
93.07037	55.6
95.04967	71.8
95.08603	41.8
97.06509	4.2
97.10160	10.7
99.01677	2.7
99.27448	3.1
103.05499	4.4
105.07036	25.9
106.42936	2.6
107.04958	18.8
107.08599	32.5
109.02874	11.0
109.06510	6.3
109.10157	20.5
111.08072	5.5
115.05440	3.3
117.07031	18.1
117.08287	2.8
119.08590	18.2
121.06483	8.8
121.10138	25.1
123.04434	70.3
123.08063	4.8
123.11689	6.7
125.09597	8.0
128.06171	3.9
129.06995	10.1
131.08563	21.4
133.06458	4.9
133.10156	17.7
135.08057	5.5
135.11687	13.6
137.05927	2.9
137.13300	2.5
141.06947	3.9
143.08585	7.2
145.06441	6.4
145.10107	25.0
147.08015	6.3
147.11703	9.3
149.09605	3.5
149.13228	6.4
153.09111	8.9
155.08554	6.5
157.10109	4.6
159.11685	6.8
161.09671	6.1
161.13254	4.8
163.11185	22.2
169.10147	3.7
171.11687	15.0
173.09630	10.5
173.13252	5.7
175.11208	3.9
175.14819	3.9
185.13315	5.3
187.14885	3.3
189.11214	3.4
189.12733	11.0
191.10670	7.6
199.11150	5.5
202.88187	2.3
205.12186	3.1
207.13829	18.1
215.14308	2.9
217.12242	7.3
221.80791	2.8
235.13295	100.0
253.14288	3.6
261.22171	8.9
273.14932	3.0
288.84058	2.5
309.16922	55.3
335.25803	72.6
442.68671	2.7
477.33548	7.9
495.34180	5.4
514.06653	3.0
551.37219	5.7
569.38452	65.1
587.39691	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	587.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	9.8
55.01874	6.7
55.05521	30.2
57.03442	10.0
57.07057	4.2
62.03846	3.4
65.03928	5.4
67.05167	4.5
67.05509	88.8
69.07073	16.9
69.44714	12.5
69.45145	17.0
71.01341	7.3
71.04980	7.0
73.38408	2.9
79.05496	56.6
81.03429	29.6
81.07063	62.1
83.04996	6.4
83.08640	16.8
89.06032	9.0
91.05486	39.4
93.07054	58.9
95.04429	6.5
95.04977	74.8
95.08616	48.7
97.00805	3.2
97.10159	10.5
103.05486	6.5
105.03371	3.7
105.07036	57.6
107.04977	19.1
107.08607	39.0
109.02873	15.3
109.06512	10.8
109.10158	23.3
111.08089	5.4
117.07025	17.1
119.08582	31.9
121.06506	8.5
121.10158	23.3
123.04439	76.8
125.09659	9.8
125.17456	3.2
127.12390	3.5
128.06215	4.9
129.06978	12.2
131.08531	18.5
133.06509	4.4
133.08589	6.4
133.10129	15.3
135.08052	5.6
135.11713	21.3
143.08568	11.6
145.06528	3.7
145.10109	23.0
147.04361	4.1
147.08060	9.6
147.11719	11.5
149.05891	3.5
149.13226	4.8
153.09108	6.3
155.08534	4.7
157.10120	6.6
159.11693	8.8
161.13263	3.8
163.11188	23.0
169.10135	6.5
171.07999	4.6
171.11667	10.1
173.09625	11.3
189.12772	12.5
191.10718	4.2
199.11147	4.8
207.13817	14.9
217.12248	8.2
223.13210	3.8
235.13304	100.0
261.22119	10.0
309.16968	53.7
335.25800	77.8
353.24628	3.6
457.37164	4.7
477.33594	4.4
495.34769	8.7
569.38586	53.9
587.38983	16.4
599.22644	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	587.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14949	1.8
53.03933	5.9
55.01868	6.3
55.05289	2.2
55.05516	24.3
57.03438	11.7
57.07075	2.7
61.83292	2.1
62.38400	1.8
65.03929	5.1
65.71294	1.6
66.99532	1.7
67.05505	80.4
67.05867	4.2
69.07065	14.9
71.01353	4.9
71.04984	4.8
73.55010	1.6
74.11543	1.8
79.05048	4.0
79.05492	61.6
81.03418	28.6
81.07057	61.6
83.04974	4.8
83.08629	14.7
85.06539	2.7
91.05482	41.3
93.06461	2.6
93.07048	53.5
95.04974	66.8
95.08604	45.0
97.06526	6.5
97.10168	8.6
98.20690	3.8
103.05419	2.7
105.07035	30.4
105.81902	1.7
107.04957	18.8
107.08598	31.4
109.02895	12.9
109.03532	2.4
109.06490	7.1
109.10165	19.7
111.04433	2.3
111.08076	5.4
117.07032	15.9
119.04933	3.1
119.08587	21.4
121.06528	10.7
121.10134	22.8
123.04435	72.6
123.08086	2.8
123.11718	6.3
125.09652	6.6
128.06186	3.4
129.07040	11.6
131.04922	4.2
131.08548	16.1
133.06479	5.2
133.10127	10.3
135.08066	5.2
135.11703	19.4
137.05978	2.5
137.09625	1.9
143.08565	7.8
145.06470	5.1
145.10129	24.5
147.08073	9.5
147.11713	9.4
147.61296	1.8
149.06012	3.3
149.09601	6.2
149.13239	5.0
151.11150	2.5
153.09126	6.8
155.08537	6.4
157.10075	3.1
159.08055	3.2
159.11710	4.6
161.09712	2.7
161.13292	4.5
163.11198	20.8
169.10147	3.4
171.07983	3.0
171.11638	9.6
173.09631	10.9
173.13254	2.9
181.10144	2.0
185.13168	2.3
187.14832	2.2
189.11301	2.5
189.12743	11.3
191.10696	6.0
195.11566	2.2
199.11197	7.1
199.14745	2.7
204.72232	1.8
207.13785	16.6
211.14955	2.0
217.12248	12.6
235.13297	100.0
253.14394	2.5
261.22125	8.0
263.16223	2.4
309.16959	52.8
335.25800	88.5
335.29822	4.4
336.26303	2.3
383.37790	2.0
477.33670	4.5
495.34308	4.7
547.19763	2.3
551.37225	4.3
569.38391	51.4
587.39563	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	587.3216
Annotation	5-Oxoavermectin ''2b'' aglycone
Peak:m/z	Relative Intensity
53.03941	9.6
55.01856	9.1
55.05511	32.7
56.96547	3.2
57.03425	10.4
65.03917	4.4
67.05511	52.6
69.03410	5.7
69.07074	22.6
69.28393	14.1
69.28815	16.8
71.04996	9.4
79.05496	56.0
81.03426	29.8
81.07061	74.3
83.04984	8.5
83.08639	18.4
85.02903	5.4
85.06535	6.1
91.05486	53.9
93.07050	48.1
95.04975	45.0
95.08600	32.5
97.02882	5.3
97.06520	9.0
97.10179	12.4
103.05481	9.4
105.04478	5.8
105.07041	36.9
107.04974	17.3
107.08602	35.2
109.02876	13.0
109.06503	12.1
109.10155	6.6
111.08098	7.9
115.05454	14.4
117.07019	26.9
119.04902	8.2
119.08586	14.5
121.02879	6.4
121.06507	14.2
121.10142	13.8
123.04433	6.2
123.08073	6.2
123.11713	4.2
125.09605	7.2
128.06215	5.2
129.07014	21.0
131.04973	21.8
131.08566	23.0
133.06506	14.3
133.10114	14.8
135.04462	3.9
135.08064	10.7
135.11697	8.6
137.02322	6.6
137.06044	4.0
141.06970	8.4
143.08556	11.9
144.05524	3.5
145.06500	20.0
145.10121	8.4
147.04424	10.5
147.08041	10.6
147.11678	14.0
149.06010	7.5
149.09645	5.9
149.13269	11.0
155.08546	12.1
157.06500	7.5
157.10147	10.3
159.04439	3.9
159.08060	12.6
159.11743	10.7
160.05208	6.3
161.05975	20.7
161.09671	8.9
163.11208	8.5
165.07039	4.5
165.12715	4.5
167.08597	8.0
169.06580	4.3
169.10178	3.8
171.04391	3.4
171.08029	9.7
171.11615	5.0
173.06004	24.0
173.09694	5.1
174.06731	8.2
175.07567	7.8
178.07800	3.5
179.08624	3.6
181.10178	7.4
182.32616	3.1
183.08070	3.8
185.05974	4.9
185.09697	3.8
185.13174	3.5
187.07535	13.4
189.05499	30.2
189.11180	6.3
191.07034	3.3
193.10275	4.5
193.12167	6.1
195.07996	3.4
195.11697	4.1
195.13800	6.8
197.09589	5.1
199.07594	5.9
201.09134	4.1
208.73820	3.4
211.07593	4.0
211.11209	3.3
227.12679	4.0
243.13770	4.9
255.13863	5.0
257.15433	4.7
269.17548	25.1
273.14825	25.1
283.13275	11.8
285.14865	10.3
289.14395	6.5
301.14377	94.0
303.15982	5.7
311.16602	3.9
319.15643	7.5
345.17184	3.7
375.17899	17.4
393.18704	5.7
403.05811	3.5
449.26962	4.6
477.26257	4.7
495.27545	5.8
513.28699	3.9
523.30420	3.9
527.29865	3.3
539.30591	3.7
541.31384	8.6
551.30048	7.0
557.31305	17.4
569.31061	72.7
587.32141	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97725	1.4
53.03946	2.6
55.05505	4.3
59.04990	1.4
60.44896	1.2
67.05511	7.4
69.03414	5.2
69.07063	4.3
71.05002	12.3
71.62076	2.5
73.06547	2.3
79.01865	2.1
79.05474	4.2
81.03413	5.7
81.07065	14.1
83.08629	3.2
85.02885	7.4
85.06528	3.0
91.05470	6.8
93.07046	12.4
95.04990	2.8
95.08600	18.2
97.02889	5.1
97.10131	1.4
99.04453	2.5
105.07040	20.1
107.08605	14.7
109.02894	6.5
109.06534	2.3
109.10162	9.4
117.07052	2.7
117.51478	1.5
119.08589	8.8
121.02894	2.8
121.10147	9.1
123.08038	3.0
123.11700	3.6
124.11211	4.5
125.02352	3.6
125.09629	13.2
127.03919	12.4
127.07510	2.3
127.11207	2.4
129.06999	2.3
131.04921	2.3
131.08568	3.7
133.10136	30.0
135.11627	2.9
136.07582	1.9
137.05983	2.5
143.03406	2.5
143.10692	19.9
145.10129	5.9
147.04335	2.5
147.11681	12.4
149.13254	12.5
153.01830	100.0
153.02771	3.6
153.05377	2.7
159.11681	5.5
161.09686	2.9
161.13214	3.4
163.07576	1.5
167.07053	1.9
167.14328	44.1
171.02898	11.9
178.04951	1.5
179.05338	1.7
181.70375	1.4
187.11147	2.4
189.12839	1.7
201.16382	4.6
203.18034	1.6
206.04515	3.1
218.08168	4.3
219.17433	23.0
237.18524	2.4
271.05969	2.6
287.05487	6.3
297.05899	3.8
313.06973	2.5
315.07086	27.6
351.08316	1.7
371.18564	1.7
424.10315	14.8
427.36716	1.6
430.00662	1.5
482.23993	1.5
528.48224	1.4
586.15283	2.4
586.36121	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	585.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56148	2.0
53.03942	5.1
55.05515	15.3
57.07069	8.5
59.05008	2.6
65.03935	2.6
67.05511	22.8
69.03439	3.0
69.06749	2.4
69.07070	20.0
71.00755	4.8
71.04974	4.0
79.05499	31.5
80.05801	2.5
80.06262	3.4
81.06586	3.1
81.07062	50.3
83.04993	6.8
83.08623	8.0
85.06548	3.7
85.29220	2.0
87.58271	1.8
88.18907	2.0
89.06024	3.5
91.05487	51.1
93.07053	68.4
95.04976	15.3
95.08620	32.9
96.08954	1.9
97.06538	4.4
103.05509	2.8
105.07034	94.3
106.07298	2.5
107.08603	39.7
108.89797	1.9
109.06513	6.8
109.10172	29.0
111.08075	4.3
115.05436	5.7
116.06255	2.2
117.07045	18.7
119.08585	100.0
120.08873	4.4
121.10154	68.4
122.10458	2.9
123.08086	10.4
123.11713	13.0
125.09653	3.3
128.06190	6.9
129.06995	13.5
130.07803	9.1
131.08565	35.5
133.08601	2.9
133.10135	62.9
134.10464	2.8
135.08067	5.0
135.11719	21.8
137.09618	6.4
139.11179	6.4
141.07004	6.0
142.07774	15.2
143.08566	33.4
144.09325	7.8
145.10135	67.0
146.10562	4.1
147.07997	2.5
147.11699	35.3
149.09604	6.9
149.13243	4.8
151.11275	4.8
154.07819	3.6
155.08568	16.3
155.10606	1.9
156.09364	9.6
157.10152	41.4
158.10760	5.7
159.11696	35.4
160.12173	3.9
161.09634	5.8
161.13281	10.5
163.11194	7.3
165.07031	3.1
167.08534	6.5
167.10698	27.7
168.09370	5.2
169.10130	18.5
170.10895	5.4
171.11705	22.3
172.12421	2.8
173.13281	21.1
175.14832	15.4
177.12781	2.8
179.08517	5.3
180.09332	4.3
181.10153	11.1
182.10886	7.0
183.11714	20.1
184.12288	4.0
185.13300	13.9
187.14827	11.9
189.12794	2.7
191.14378	5.6
192.09488	2.2
193.10147	7.3
194.10904	5.7
195.11700	16.2
196.12376	8.3
197.13297	17.2
198.13658	3.2
199.14853	9.2
201.16374	12.0
203.14262	2.7
206.10913	2.3
207.11613	4.7
208.12386	3.7
209.13283	17.9
210.13966	2.7
211.14850	14.9
213.16382	6.2
215.14391	3.0
217.15929	3.6
221.13297	7.7
221.15421	8.2
223.14873	13.7
224.15570	2.5
225.16382	7.5
227.17943	2.6
233.13266	2.4
235.14842	4.7
237.16415	5.0
238.53926	2.2
239.17966	4.8
241.19534	3.3
247.14789	3.2
249.16364	2.8
251.17963	4.1
253.19507	4.6
257.19003	2.5
259.14731	2.5
261.16550	3.0
265.19415	6.5
267.21024	3.3
269.19095	2.5
275.17834	3.1
277.19641	2.7
283.20523	3.2
289.19562	2.3
299.61829	2.9
303.20871	2.1
309.22101	2.3
312.29825	2.4
361.25195	2.4
363.26694	3.1
364.27563	2.9
374.08105	2.0
379.75861	1.9
429.31970	3.3
447.32245	3.5
567.41431	5.2
585.43207	9.5
585.56317	3.1
587.07959	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	585.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.7
55.05516	19.1
57.03442	25.6
61.02921	10.0
65.03938	7.3
67.05498	31.7
69.03431	16.9
69.07074	24.2
71.61615	7.7
73.02921	49.8
79.05478	26.9
81.03400	4.9
81.07057	50.6
83.04988	24.2
83.08629	10.4
84.88970	3.5
85.02899	6.2
85.06561	6.1
91.05479	35.5
93.07051	49.7
95.04976	17.8
95.08611	66.9
97.02898	8.4
97.06499	3.6
98.97527	4.1
99.04436	4.5
105.04504	3.9
105.07026	55.8
107.04961	8.6
107.08590	78.7
109.02943	6.1
109.06534	10.3
109.10153	51.1
111.08088	7.5
115.03941	8.0
117.07038	13.5
119.08583	83.5
121.10143	55.7
123.08096	5.3
123.11701	20.4
124.07607	12.9
125.09638	10.7
127.03926	5.5
128.06194	4.4
129.07033	11.2
131.08559	33.2
133.10118	61.2
135.08032	4.4
135.11682	25.6
136.07605	10.1
137.05988	5.5
137.09612	6.8
137.13306	4.5
139.07512	3.9
143.08559	20.7
145.10121	57.9
146.06003	11.7
147.11688	32.7
148.07619	19.7
149.09630	5.2
149.13263	15.3
151.11194	14.0
153.01855	8.4
155.08543	7.2
157.10132	13.3
158.10774	3.5
159.11687	45.9
161.09630	5.4
161.13269	23.0
163.11150	4.8
163.14841	16.8
164.07086	10.2
165.12872	5.9
167.07150	5.3
169.10184	5.9
171.11694	11.6
173.13275	22.8
174.09137	4.1
175.10991	3.3
175.14847	31.0
176.07079	14.3
177.16356	15.5
181.10167	6.1
183.11789	5.2
185.13216	11.2
187.14827	41.4
189.16389	53.8
191.14346	22.9
191.17984	14.2
197.13293	5.6
199.14827	14.8
201.16379	67.2
203.17957	17.9
205.15897	6.5
207.13878	4.3
207.17427	6.1
210.11458	4.6
213.16371	45.8
215.17931	48.8
217.15881	15.5
217.19572	13.6
219.17448	44.5
225.16534	4.0
227.17953	6.8
231.17497	4.2
233.19009	8.6
235.16902	27.9
237.10260	10.1
238.11014	16.6
239.11732	3.5
241.19553	13.0
243.20985	7.0
245.22755	3.9
247.16939	20.4
251.11890	7.4
253.19641	4.5
255.21117	9.8
261.18445	21.9
263.11682	4.3
265.13379	27.3
267.21030	24.0
271.06107	7.3
271.14514	18.7
279.11279	100.0
280.12024	6.7
281.22623	4.6
291.11353	5.0
293.13013	8.4
297.12299	44.6
298.13110	9.7
309.12390	32.0
310.13196	13.3
321.12424	8.6
325.11530	5.4
337.11792	41.3
338.12598	27.4
339.13403	64.6
371.14874	4.0
386.14691	3.6
389.32053	14.1
407.33124	88.4
409.34540	10.9
422.20584	6.2
423.32562	4.8
435.32706	20.3
453.33609	15.4
460.18634	39.0
462.20309	42.0
463.20840	6.2
466.55505	4.6
585.27582	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	585.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
55.01867	1.0
61.01153	3.9
69.03429	1.4
70.06567	1.5
71.61514	1.0
72.04520	8.5
73.02924	1.5
75.84687	0.7
78.03795	12.5
81.03410	1.7
83.04977	2.1
83.50559	0.6
85.02912	6.4
85.06550	1.0
86.06062	0.8
88.02213	4.6
95.04924	0.8
96.71400	0.7
97.02881	1.1
98.02399	1.2
99.04494	4.6
99.05565	2.7
102.03773	18.6
103.02179	1.7
103.03934	9.2
109.02892	3.6
112.07638	1.1
113.05962	0.6
114.03771	1.9
114.05540	1.6
120.04820	3.8
126.05526	13.2
127.03912	6.8
130.08655	0.9
131.06366	9.3
132.04808	10.5
141.06633	1.2
142.08624	3.7
143.05219	0.8
149.07443	42.8
149.27159	0.6
152.07086	1.7
153.01781	1.1
154.08580	1.6
159.05864	2.2
175.05373	2.9
180.06548	9.7
184.09708	2.7
198.07599	2.1
216.08617	1.7
231.11658	1.7
243.11507	0.9
257.09564	1.2
261.12665	2.7
275.10629	2.1
277.03381	1.1
293.11661	100.0
294.11813	1.1
405.16925	25.6
437.15698	1.2
455.17044	3.8
531.81476	0.7
567.22058	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	585.124
Annotation	2''-O-Galloylisovitexin
Peak:m/z	Relative Intensity
65.03940	0.3
67.01863	0.4
68.99807	0.3
69.03453	0.2
70.06582	0.2
70.29735	0.3
79.01846	0.2
79.05493	0.2
81.03400	0.4
81.07056	0.3
84.08173	0.2
85.02905	0.3
91.05473	0.6
95.04969	0.2
95.08591	0.2
97.02887	0.4
98.21416	0.2
104.19169	0.1
105.07053	0.2
107.04963	0.2
107.08556	0.2
109.02920	0.3
119.04942	1.7
121.02893	0.7
124.11221	0.3
125.02340	0.2
126.01001	0.2
127.03907	0.6
129.07004	0.2
133.06430	0.1
137.05977	0.3
143.03406	0.2
145.02834	0.6
151.03920	0.3
153.01834	14.2
153.05447	0.5
153.83839	0.2
163.03894	0.5
171.02928	1.4
175.07619	0.2
177.05490	0.2
181.04871	0.2
185.06085	0.2
187.07614	0.2
189.09154	0.2
195.06479	0.1
195.19089	0.1
202.06302	0.2
203.06985	0.2
212.68036	0.1
225.05289	0.2
229.04942	0.3
243.06537	0.3
249.79692	0.2
271.06018	100.0
272.06369	1.0
297.06082	1.3
315.06992	0.2
357.13449	0.4
359.14893	0.3
433.11240	0.3
585.12347	1.6
585.22375	0.2
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
53.03945	4.1
54.68877	3.0
55.05494	9.6
57.07073	16.0
64.17426	2.4
66.91272	2.2
67.05508	15.6
69.03426	5.5
69.07053	10.7
70.06564	2.8
71.08637	2.7
79.05493	20.6
81.06706	2.1
81.07069	23.8
83.04977	4.2
83.08623	6.6
83.50951	2.5
85.06539	5.6
88.07638	3.4
89.06042	21.5
91.05482	35.7
93.07038	36.8
95.04961	7.6
95.08617	29.2
97.06498	3.2
103.05473	3.9
105.04417	2.3
105.07040	68.1
107.08601	27.6
109.06496	7.8
109.10162	16.9
111.93841	2.7
117.07001	17.7
119.08588	68.3
120.09377	3.5
121.06459	3.3
121.10128	22.3
123.08081	15.4
123.11692	5.0
128.06244	5.6
129.07013	15.4
130.07768	7.1
131.08575	40.4
132.09299	6.2
133.06474	3.1
133.08588	11.9
133.10129	33.3
135.08051	15.8
135.11687	10.0
137.09616	9.6
141.07047	6.9
142.07788	16.9
143.08566	30.9
144.09299	11.2
145.06479	3.8
145.10121	53.4
147.08034	16.8
147.11639	15.0
149.09555	7.8
149.13248	3.3
151.07536	7.9
153.06975	2.7
155.08531	17.8
156.09378	14.4
157.10143	49.7
158.10898	7.4
159.08008	4.2
159.11703	30.6
160.08871	3.3
160.12434	3.1
161.09630	8.6
161.13249	7.8
163.11147	7.6
165.06985	5.9
165.09108	26.0
167.08531	7.0
168.09276	7.1
169.10135	20.4
170.10896	8.2
171.07997	2.8
171.11690	26.9
172.12425	5.0
173.13335	15.2
175.11256	13.8
175.14807	10.3
177.11276	5.1
179.08514	6.3
181.10104	9.4
181.12204	6.0
182.10854	8.9
183.11702	23.3
185.13222	11.8
187.11119	3.2
187.14871	7.2
189.12703	7.3
190.13489	5.9
191.10669	2.7
191.14281	4.7
193.10124	8.9
193.12149	8.8
194.10965	5.3
195.11688	17.4
195.13498	4.1
196.12433	5.2
197.09515	3.1
197.13239	24.2
198.13931	3.6
199.11064	5.4
199.14853	4.3
201.12668	4.6
201.16434	3.3
203.14296	14.8
207.11720	7.5
207.13795	8.9
208.14462	5.5
209.13228	16.0
210.14113	6.4
211.11272	3.4
211.14842	8.1
213.12729	4.2
215.14317	3.2
217.15858	3.5
219.13812	4.1
221.13205	8.6
221.15335	56.8
222.13924	3.9
223.14835	11.1
225.16402	7.4
232.12471	3.5
234.16211	9.3
235.14795	6.5
237.12720	3.0
237.16364	3.9
247.16928	10.2
249.16385	4.5
251.17953	3.0
253.19609	2.8
259.17023	3.1
271.17026	3.5
283.26486	3.7
285.18265	3.7
287.20102	3.0
297.18521	3.8
299.20041	11.7
300.29028	4.4
311.29398	10.9
325.21793	7.7
337.21561	11.0
352.23993	67.4
365.24692	14.2
371.22714	4.8
376.27405	2.9
384.67786	2.9
391.26465	3.6
397.27347	2.8
398.27969	5.8
404.30963	5.4
412.29620	14.0
425.30640	6.1
438.31216	11.3
489.33499	3.3
491.35123	11.7
492.35590	5.5
504.36020	100.0
505.36411	3.1
584.42139	20.0
584.55963	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	584.4222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59746	1.4
53.03931	1.8
55.05513	8.3
57.07086	10.1
59.04996	3.9
60.79902	1.5
65.03938	3.3
67.05503	11.6
69.03425	5.2
69.07063	7.0
73.34286	1.6
79.05495	14.8
81.07059	17.6
83.04971	5.3
83.08632	4.7
85.06532	4.7
89.06015	5.8
91.05486	30.6
93.07052	39.2
94.07866	2.1
95.04958	5.3
95.08604	24.5
97.06547	4.0
98.20701	4.1
103.05439	2.2
105.07027	49.5
107.08605	28.4
109.06516	4.8
109.10162	10.9
115.05450	3.0
117.07043	14.0
117.97636	2.1
119.08587	66.1
119.09446	4.3
120.09342	5.0
120.71688	1.7
121.06487	3.1
121.10172	16.7
123.08064	10.3
123.11696	4.0
125.06035	2.8
128.06221	5.4
129.07031	12.5
130.07811	5.0
131.08578	35.6
133.06447	2.3
133.08635	2.3
133.10141	32.3
135.08086	10.4
135.11681	8.3
137.09625	6.7
141.06996	4.6
142.07777	12.2
143.08580	25.1
144.09370	8.7
145.10136	43.5
147.08104	13.4
147.11688	11.7
149.09599	5.8
149.13248	2.5
151.07552	6.2
153.06989	3.7
154.07767	2.7
155.08557	13.3
156.09358	13.2
157.10133	43.1
158.10870	7.8
159.08040	3.9
159.11699	33.8
160.73976	1.7
161.09599	6.4
161.13237	6.6
163.11224	9.1
165.07042	2.8
165.09119	22.1
167.08519	2.2
168.09343	4.1
169.10117	14.7
170.10895	8.3
171.11699	23.1
172.12485	7.1
173.09599	5.6
173.13248	20.4
175.11241	12.0
175.14804	7.2
177.12648	3.5
179.08580	7.6
180.09393	4.2
181.10121	12.1
181.12236	6.3
182.10878	5.7
183.11703	19.9
184.12410	4.8
185.09688	2.7
185.13272	14.3
186.13881	2.5
187.11157	3.8
187.14787	6.5
189.12799	4.4
190.13536	5.5
191.10797	1.9
191.14323	1.8
193.10176	5.3
193.12254	6.7
194.10893	5.1
195.11720	14.6
195.13271	2.5
196.12491	5.1
197.09659	2.1
197.13295	13.4
198.10387	1.9
198.14005	4.6
199.11206	5.2
199.14781	5.9
200.11934	2.0
201.12665	3.1
201.16411	3.7
203.14337	12.4
206.10843	3.6
207.11690	7.2
207.13805	7.7
208.12590	3.8
208.14540	5.8
209.13210	12.9
211.11206	2.9
211.14799	9.2
213.12701	4.2
213.16307	3.5
215.14174	1.8
217.15927	2.9
219.11711	2.6
219.13733	2.4
220.12462	3.0
221.13287	7.9
221.15350	51.4
221.17558	2.8
223.11026	1.9
223.14828	9.2
224.11996	2.1
225.12805	2.9
225.16431	4.3
233.13260	2.2
234.16132	7.5
235.14787	4.0
237.12752	5.1
237.16428	5.3
241.12202	1.8
247.14763	2.0
247.17036	8.6
249.16370	3.8
251.14420	1.9
251.17941	3.2
257.18991	2.0
261.16144	2.3
263.18039	5.4
265.19571	2.0
267.17432	1.7
281.19174	3.1
286.19296	3.5
287.20209	3.1
299.20093	9.8
300.20856	2.6
311.20059	4.1
312.20959	3.4
312.24411	3.5
313.21332	3.3
325.21661	9.8
337.21539	7.4
347.37823	1.9
352.23981	70.4
365.24710	13.9
391.25842	2.3
397.27484	3.7
398.27979	7.4
404.30688	6.5
405.27710	2.0
411.28845	2.3
412.29681	16.5
423.28598	2.0
425.30551	3.1
438.31348	11.2
489.33728	3.4
491.35358	13.1
492.35580	7.2
504.36002	100.0
505.36374	3.3
566.40771	2.1
569.39838	2.4
584.42212	23.2
584.56067	6.6
596.15613	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	584.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79918	2.0
53.03933	4.7
55.05505	8.4
57.07072	13.9
65.03928	2.6
67.05508	18.2
69.03423	6.8
69.07068	12.0
71.09423	2.2
71.09743	2.1
77.03902	1.8
79.05492	24.8
81.07053	28.6
82.07399	1.9
83.04983	3.6
83.08617	6.5
85.06539	6.1
86.08383	1.9
89.06005	4.7
91.05481	42.1
93.07045	47.3
95.04960	8.1
95.08616	32.0
97.06552	3.6
99.19233	1.8
103.05484	4.1
105.07031	65.8
107.04945	3.3
107.07863	2.8
107.08593	40.7
109.06520	8.5
109.10152	14.5
111.08094	3.5
115.05433	5.5
117.07034	21.1
118.76826	2.1
119.08585	93.3
120.09425	4.2
121.06480	5.9
121.10139	33.1
123.08051	12.6
123.11678	5.8
125.05978	2.6
128.06226	7.5
129.06998	16.5
130.07762	8.8
131.08569	37.7
132.09325	7.3
133.06546	4.0
133.07504	2.0
133.08624	3.6
133.10136	39.7
134.75209	1.9
135.08086	16.2
135.11702	12.5
137.09608	12.8
141.06996	7.9
142.07791	19.0
143.08571	43.8
144.09343	12.0
145.10126	58.8
146.10832	2.6
147.08061	16.0
147.11685	19.4
149.09628	11.9
151.07494	8.8
153.09134	2.1
155.08560	20.8
156.09337	15.7
157.10139	63.0
158.10904	10.9
159.08047	5.2
159.11703	35.7
160.08827	2.0
160.12387	2.3
161.09622	8.1
161.13280	7.5
163.11166	13.3
165.07043	4.5
165.09116	34.3
167.08588	7.8
168.09360	4.2
169.10136	21.3
170.10901	10.4
171.11703	31.2
172.12439	7.3
173.09656	7.5
173.13254	19.8
175.11208	14.7
175.14859	12.2
177.09207	2.6
177.12735	6.2
179.08569	5.5
180.09390	2.9
180.11476	2.8
181.10139	13.4
181.12189	9.4
182.10925	6.7
183.11693	24.7
184.12395	5.3
185.09590	3.0
185.13248	22.3
186.14047	3.7
187.11168	5.2
187.14885	10.5
189.12747	9.2
190.13474	7.8
191.10597	2.9
191.14325	4.7
193.10129	7.3
193.12201	7.3
194.10880	6.6
194.12804	2.0
195.11702	18.8
196.12465	7.9
197.09648	3.8
197.13300	19.0
198.14001	5.0
199.11183	5.9
199.14836	5.7
200.11897	2.3
201.12787	6.3
201.16426	2.7
203.14322	17.7
205.10167	3.2
206.10880	3.7
207.11681	13.7
207.13794	10.5
208.12561	4.6
208.14621	5.4
209.09799	2.2
209.13258	21.0
210.14021	4.0
211.11188	3.9
211.14777	8.8
212.11923	1.9
213.12741	5.0
213.16374	3.4
215.14400	2.9
217.15880	3.0
219.11729	5.0
219.13831	4.7
220.12503	2.7
221.13310	7.9
221.15346	62.3
222.15762	3.2
223.14851	14.3
225.12759	4.2
225.16414	4.7
227.14276	2.2
233.13237	4.3
234.16148	11.1
235.14796	7.8
237.12807	5.9
237.16370	5.6
239.17908	3.3
246.14079	3.1
247.14751	3.9
247.16991	8.7
248.29114	2.2
249.16438	7.3
250.13321	2.0
251.14165	2.0
251.17989	3.7
253.15843	4.0
255.17477	2.1
258.20465	1.9
259.16919	3.1
263.14240	3.1
263.18048	2.7
265.19254	1.9
267.17389	3.0
271.16998	4.2
273.18774	2.6
277.19455	1.9
279.17517	2.2
281.15665	2.3
281.19067	5.4
283.20496	3.0
286.19189	2.7
287.20145	3.0
297.18747	2.3
297.22122	2.6
299.20139	11.7
300.20920	3.5
311.29282	2.7
312.20804	3.5
319.20477	4.2
324.24478	2.0
325.21591	10.6
337.21600	10.5
351.22900	2.3
352.23996	73.7
365.24802	14.1
391.26340	5.5
397.27164	2.9
398.28162	7.1
404.30597	5.8
411.28973	3.0
412.29825	16.3
423.29114	2.5
425.30569	4.0
438.31363	13.1
477.34015	2.3
489.33469	7.4
491.35181	11.4
492.35388	5.2
504.36020	100.0
542.48950	2.1
566.40930	3.0
569.39966	2.9
584.42059	18.3
584.55847	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	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
54.16518	1.1
55.05515	9.4
57.07080	12.0
59.04979	3.4
65.03927	2.4
67.05214	1.4
67.05512	18.9
69.03428	8.5
69.07069	9.7
69.99713	1.1
70.13878	5.8
73.02909	2.3
77.03931	1.1
79.05502	20.3
81.03403	2.0
81.07059	26.8
83.04992	5.8
83.08636	5.5
85.06543	4.7
86.45592	1.3
87.04474	1.4
89.06026	4.7
91.05488	29.5
93.07051	44.7
95.04953	8.3
95.08031	2.2
95.08614	29.1
97.06523	4.7
103.05457	2.7
105.04523	2.4
105.07037	53.5
107.08606	29.5
109.06544	8.2
109.07198	1.7
109.10159	17.1
111.08087	3.5
115.05482	3.3
116.06197	1.5
117.07006	10.7
119.08588	65.5
121.06528	5.5
121.10152	31.4
122.07259	1.4
123.08073	17.7
123.11714	4.4
125.06013	2.9
125.09676	2.3
128.06210	7.3
129.07042	10.3
130.07803	5.3
131.08577	25.2
133.06491	3.0
133.08623	2.7
133.10144	31.5
135.08066	14.0
135.11714	16.0
137.06059	1.5
137.09621	17.6
139.11212	1.7
141.07025	4.0
142.07758	13.2
143.08586	19.9
144.09354	5.3
145.10135	42.0
147.08064	27.3
147.11690	12.0
148.08936	1.6
149.09595	6.0
149.13266	1.9
151.07549	15.4
151.11165	1.9
153.07040	2.5
153.09068	1.6
154.07808	2.7
155.08548	12.4
156.09364	9.4
157.10153	33.5
158.10979	2.9
159.08095	4.4
159.11696	25.1
160.12366	1.7
161.09654	6.7
161.13254	9.1
163.11203	6.5
165.06944	3.6
165.09122	51.0
166.07829	2.1
167.08607	5.5
168.09367	3.2
169.10129	15.9
170.10909	6.3
171.11693	19.5
172.12538	2.7
173.09668	4.0
173.13264	10.9
175.11200	2.5
175.14836	10.6
177.09119	2.3
179.08574	7.6
180.09358	3.8
181.10103	8.8
181.12268	5.4
182.10924	5.4
183.11682	18.7
184.12505	2.0
185.09663	1.3
185.13272	14.7
187.11237	3.6
187.14801	9.1
189.12820	4.8
191.14320	2.9
192.09398	2.2
192.11380	1.5
193.10167	8.2
193.11726	1.2
194.10925	5.1
195.11729	9.7
195.13341	1.3
196.12500	4.8
197.13275	11.9
199.11163	2.3
199.14816	5.5
201.12788	2.8
201.16486	3.3
203.14301	18.9
205.10139	2.0
205.15875	2.0
206.10954	4.5
207.11737	11.8
207.13866	8.0
208.12489	3.3
209.13251	15.9
209.15105	2.2
210.14038	3.7
211.11226	1.6
211.14764	7.6
213.16469	3.1
215.14224	1.9
217.10278	2.0
217.15903	1.4
219.11758	2.5
220.12570	3.3
221.13354	6.6
221.15363	100.0
222.14088	2.1
223.14809	6.9
225.12694	2.1
225.16365	4.0
227.14369	2.1
229.12320	1.4
229.15909	1.4
231.11652	1.9
231.13835	1.3
232.12376	1.7
233.13283	4.7
233.15401	1.5
235.14825	8.5
237.16521	5.5
239.17953	2.1
241.16153	1.2
244.12390	1.3
245.13399	2.9
246.14095	1.7
247.14810	2.7
247.17039	3.3
248.15576	1.3
249.16399	4.0
251.18001	1.6
259.14908	2.5
260.15555	1.5
261.16312	2.4
263.17905	2.5
265.15924	1.6
265.19547	3.1
271.20578	2.5
275.18036	2.9
277.19604	1.7
279.17221	1.9
281.18964	1.4
283.20612	6.3
285.18628	1.5
285.22092	1.5
287.20172	3.4
291.21124	2.8
293.18863	1.5
299.20068	2.7
309.22119	1.5
336.79614	1.4
349.25299	4.1
357.22070	1.3
357.26102	1.6
364.23846	2.1
365.24844	2.2
375.26932	4.2
377.25058	1.6
385.27588	2.8
388.10648	1.3
399.29156	1.9
403.30026	2.1
425.30240	3.2
437.30084	1.5
464.33130	1.8
473.34094	2.9
477.33469	2.2
491.35214	43.3
503.35181	4.4
547.38666	1.4
565.40649	11.5
583.41492	78.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.8
55.05511	9.7
57.07068	5.7
57.85122	1.8
61.13750	1.8
65.03922	2.1
67.05502	11.3
69.03436	6.8
69.07060	7.8
71.47233	3.9
79.05498	10.9
81.07063	16.9
83.04974	3.2
83.08608	4.0
85.06576	2.5
91.05488	20.2
93.07047	27.9
95.04977	5.0
95.08610	28.6
97.06516	3.6
105.07031	37.1
107.08581	19.9
109.06533	5.0
109.10188	10.9
115.05447	1.8
117.07037	7.0
119.08572	32.4
121.06540	4.1
121.10144	22.1
121.73476	2.2
123.08085	14.6
123.11714	2.6
128.06218	3.9
129.07002	6.7
131.08583	12.8
133.10141	21.4
135.08049	8.9
135.11667	4.1
137.09653	9.8
141.07018	5.5
142.07802	6.5
143.08563	15.5
144.09358	3.9
145.10149	23.4
147.08023	16.3
147.11729	8.3
151.07549	21.4
155.08617	6.7
156.09360	9.6
157.10143	30.9
158.10890	2.8
159.08099	2.9
159.11710	12.8
161.09659	5.1
161.13293	5.6
163.11194	3.1
165.07002	3.6
165.09131	46.1
165.10481	3.1
167.08611	2.9
168.09334	3.3
169.10109	9.9
170.10925	3.7
171.11697	13.8
173.13283	8.9
175.14880	4.9
179.08586	4.3
180.09453	2.7
181.10182	6.3
181.12279	2.3
182.10930	5.3
183.11700	11.3
184.12456	2.6
185.13258	12.7
187.14854	4.1
189.12814	5.5
191.14311	2.6
193.10167	9.7
194.10925	4.1
195.11743	8.5
196.12491	3.7
197.13272	12.6
199.14864	6.0
203.14262	14.4
206.11002	3.9
207.11650	5.8
207.13831	9.1
208.12599	2.5
209.13303	12.3
209.15247	3.8
210.14041	2.8
211.14885	5.6
213.16296	2.4
215.14267	2.1
219.11771	4.4
220.12483	2.4
221.13319	9.2
221.15343	71.3
223.14836	4.7
225.16370	4.2
226.67586	2.0
229.15701	2.3
231.11787	2.5
231.17426	2.6
233.13330	4.0
233.15454	2.3
235.14870	5.9
237.16495	5.5
238.17082	2.3
239.18011	4.1
245.13402	2.7
247.14832	4.5
249.16606	2.8
251.18042	3.7
261.16302	4.1
263.18097	2.3
265.19455	2.3
269.18860	3.0
271.52884	1.9
279.21173	3.2
281.18979	2.0
283.20660	2.5
287.20221	2.8
295.20648	5.5
297.22131	4.6
301.37985	2.3
315.21036	2.2
329.22589	2.3
349.25348	3.0
352.23975	3.9
357.25769	2.7
365.24835	4.0
375.26855	4.2
385.28946	2.3
403.29868	9.3
430.14584	2.2
485.34131	2.5
503.35132	7.3
509.34460	3.8
535.03638	2.1
547.39240	4.4
565.40375	30.7
583.41498	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02390	0.9
53.03944	3.0
55.01865	1.2
55.05507	6.6
57.07076	6.5
59.04982	2.6
65.03925	1.9
66.04700	0.9
67.05167	0.8
67.05509	12.9
69.03433	5.6
69.07062	5.2
70.34058	0.7
70.34387	2.7
74.20289	0.7
79.05492	11.6
81.07052	16.8
83.04962	1.8
83.08610	3.6
85.06545	3.3
91.05479	18.1
93.06454	1.5
93.07043	27.9
95.04974	5.2
95.08609	23.2
97.06522	2.5
103.05471	2.0
105.04513	1.3
105.07031	35.3
106.68523	0.7
107.08591	18.5
107.09283	1.6
109.06499	4.2
109.10159	8.4
111.08067	2.2
115.05475	2.4
117.07035	5.9
119.08583	35.0
121.06509	3.8
121.10148	23.0
122.07301	1.1
123.08082	15.7
123.11711	3.4
125.05990	1.4
128.06194	4.2
129.07028	5.8
130.07805	2.2
131.08565	14.0
132.09238	0.8
133.06462	1.5
133.10136	15.2
135.08040	7.2
135.11673	5.5
137.09601	8.9
141.06981	3.7
142.07788	11.7
143.08559	16.5
144.09358	2.9
145.06479	1.0
145.10135	20.9
147.08035	15.9
147.11678	7.0
149.09634	3.3
149.13234	0.8
151.07547	22.5
153.07010	1.6
153.09068	0.9
154.07748	1.2
155.08551	7.0
156.09355	9.2
157.10130	29.9
158.10910	2.6
159.08073	2.1
159.11691	12.8
161.09601	5.1
161.13280	5.2
163.11212	3.6
165.06946	2.7
165.09117	35.2
166.07797	1.3
167.08513	4.3
167.10669	2.0
168.09355	3.0
169.10121	11.0
170.10910	4.5
171.11697	16.0
172.12491	1.6
173.09621	1.7
173.13275	10.0
174.10445	1.0
175.11212	1.1
175.14864	3.6
177.09088	1.5
177.12848	0.9
179.08578	6.1
180.09355	3.1
181.10173	8.1
181.12227	3.2
182.10886	5.4
183.11702	11.6
184.12480	2.9
185.09639	1.6
185.13255	12.5
187.11203	1.8
187.14844	2.5
189.12680	5.7
191.14328	2.0
192.09331	2.0
193.10136	6.9
194.10875	5.3
195.11705	11.8
196.12476	3.8
197.13255	12.2
198.10347	0.9
198.14032	1.4
199.11269	0.9
199.14799	5.9
201.12822	1.6
201.16418	1.5
203.14301	16.2
205.10129	1.6
206.10951	2.6
207.11714	8.1
207.13834	7.6
208.12488	3.9
209.13268	10.6
209.15134	1.5
210.14008	1.5
211.11288	2.1
211.14830	6.3
212.15646	1.2
213.12730	2.0
213.16405	3.6
215.14323	1.7
217.10258	1.3
217.15891	1.4
218.10887	1.7
219.11743	2.5
220.12529	2.9
221.13304	7.5
221.15341	56.1
222.14020	1.6
223.14807	8.0
224.15584	1.0
225.12889	1.2
225.16479	2.8
229.15958	1.8
231.11728	1.7
231.17448	3.9
232.12405	2.3
233.13313	5.9
233.15413	1.7
234.13997	1.4
235.14891	5.2
237.16325	4.4
239.17961	2.3
243.11778	1.0
245.13240	2.8
245.19049	0.9
246.14078	2.4
247.14854	4.2
247.17024	2.5
248.15628	1.2
249.16422	4.1
250.17218	1.7
251.17998	3.2
253.15878	1.1
253.19499	1.9
255.17493	0.9
257.19052	3.0
258.14261	1.5
259.14893	3.4
260.15500	1.3
261.16370	2.9
262.17035	1.0
263.17868	3.7
264.18726	1.0
265.19592	3.2
267.17398	0.8
269.19083	2.3
271.14929	2.4
271.20609	3.2
273.16388	2.9
274.39386	0.8
275.17963	2.6
277.19540	2.4
279.21158	3.0
281.19003	1.8
283.20633	5.2
285.16455	1.1
286.19360	2.1
287.20328	1.9
289.19479	2.2
291.20947	1.3
295.20496	4.6
297.22275	5.2
299.20148	2.2
301.19241	0.9
307.20581	2.0
309.22214	1.5
315.21091	1.3
323.23477	1.2
329.22675	1.4
331.24457	0.9
347.23788	2.2
349.25229	2.4
352.24194	2.5
357.25812	3.2
361.25208	1.1
365.24661	2.6
375.26917	6.2
385.28909	1.9
403.30014	11.9
427.29929	0.9
485.34811	0.8
491.34763	1.3
503.35284	4.7
509.34216	2.5
518.41321	0.9
547.39246	3.2
565.40479	27.5
566.67560	0.9
583.41479	100.0
584.42035	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73133	2.7
53.03952	4.8
55.05521	13.3
57.07078	15.9
59.04980	6.9
67.05512	29.9
69.03418	10.9
69.07079	16.4
70.94133	6.6
79.05488	28.9
81.07057	38.2
83.04977	7.7
83.08600	13.2
85.06535	8.0
91.05479	52.2
91.86218	2.6
93.07045	58.8
94.37815	2.6
95.04965	15.2
95.08614	38.5
97.06532	6.3
103.05466	5.8
105.04497	2.8
105.06370	5.6
105.07035	76.9
107.08601	42.0
109.06516	10.2
109.07203	3.3
109.10168	23.8
115.05434	5.9
117.07011	21.5
119.08585	100.0
121.06469	6.7
121.10157	50.3
123.08044	15.2
123.11688	6.5
128.06206	16.2
129.07031	19.0
130.07782	6.7
131.08575	35.8
133.10127	38.4
135.08041	13.2
135.11676	12.7
137.09639	13.6
141.06982	12.3
142.07797	30.4
143.08569	50.1
144.09317	9.7
145.10117	50.2
147.08054	18.6
147.10683	3.9
147.11659	21.5
149.09651	4.7
149.13260	4.6
151.07570	16.6
153.06944	4.1
154.07748	4.9
155.08589	22.5
156.09377	19.7
157.10133	66.6
158.10916	9.4
159.11690	28.4
161.09653	7.8
161.13239	10.1
163.11235	5.2
165.06946	8.9
165.09128	34.5
166.07835	5.1
167.08589	13.3
167.10707	16.7
168.09348	12.2
169.10156	26.6
170.10916	10.7
171.11708	32.9
173.13261	28.9
175.11185	4.1
175.14824	8.2
179.08556	16.6
180.09305	8.7
181.10132	20.0
181.12239	4.2
182.10918	10.8
183.11708	30.8
184.12485	4.7
185.13271	24.3
187.14833	6.0
189.12749	5.6
191.08516	3.0
191.14258	10.1
192.09306	9.9
193.10182	17.1
194.10927	12.9
195.11719	28.3
196.12415	7.6
197.13278	22.1
199.11221	4.2
199.14799	15.0
203.14288	17.2
205.10161	7.6
206.10909	10.0
207.11696	18.7
207.13826	8.0
208.12444	8.3
209.13260	33.9
210.13901	5.0
211.11174	3.4
211.14809	11.8
213.12712	3.2
213.16309	3.4
217.15933	11.4
219.11737	11.7
220.12410	7.8
221.13249	21.0
221.15373	68.5
223.14891	16.1
224.15633	3.0
225.16391	8.4
229.10112	4.0
231.11639	10.7
232.12503	5.1
233.13217	15.1
233.15433	6.9
234.13989	5.1
235.14830	10.4
236.15532	3.3
237.16359	10.2
239.17917	4.1
243.11917	3.9
244.12346	4.1
245.13200	13.3
246.13937	5.9
247.14766	12.8
247.17014	3.9
248.15642	6.1
249.16422	12.2
251.17999	5.2
257.18961	10.9
258.14008	3.6
259.14828	5.8
260.15622	6.5
261.16351	14.3
262.17294	3.5
263.17966	7.6
265.19513	8.3
267.17386	2.7
269.19040	4.2
273.16269	6.5
274.17105	3.6
275.17969	13.5
277.19498	4.2
283.20679	19.2
286.19534	3.5
287.17932	5.8
289.19385	6.7
295.20636	5.2
297.22162	4.9
300.20773	3.5
301.19098	3.7
303.20929	3.3
331.24194	6.8
347.23917	5.3
349.25195	9.7
361.25345	3.5
375.26944	10.7
399.27267	3.3
491.34866	4.4
503.34958	4.7
554.82953	3.0
565.40369	22.5
583.32520	4.4
583.41492	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	2.0
53.03946	4.8
55.01854	2.3
55.05511	19.5
57.07081	11.5
59.05001	4.3
60.83633	1.1
65.03938	5.0
65.15887	1.0
67.05509	27.4
69.03437	8.3
69.07072	18.8
69.07676	1.1
69.26452	9.5
69.26871	2.9
71.04974	2.0
79.05494	29.0
80.72540	1.1
81.03438	1.1
81.07059	36.6
83.04979	9.8
83.08624	9.1
85.06550	10.1
87.04482	1.8
89.06049	2.1
91.05482	44.5
93.06451	3.0
93.07050	62.8
95.04962	11.1
95.08611	41.2
96.95560	1.2
97.06544	5.7
97.51828	1.2
103.05470	7.6
104.06265	1.4
105.04555	1.9
105.07034	97.3
107.08600	48.2
109.06533	9.8
109.10149	21.1
109.10810	1.8
109.76955	1.1
111.08090	3.1
115.05463	6.7
116.06293	1.4
117.07011	15.7
119.08582	88.7
121.06505	8.9
121.10150	50.7
121.11017	3.0
123.08088	17.4
123.11715	6.7
125.05978	3.1
125.09621	2.5
128.06219	15.9
129.07007	21.4
130.07832	7.5
131.08578	36.6
132.09273	1.8
133.06519	2.9
133.07503	1.5
133.10133	39.8
135.08052	12.6
135.11703	12.0
137.05974	2.2
137.09604	13.2
139.11215	3.0
141.06960	10.9
142.07777	28.1
143.08571	44.3
143.59476	1.4
144.09369	8.4
145.06541	1.7
145.10130	56.2
147.08044	18.2
147.11703	13.7
149.09612	8.5
149.13278	3.0
151.07556	18.0
151.11192	2.5
153.06995	5.4
154.07802	5.1
155.08559	24.0
156.09363	21.5
157.10135	59.1
158.10893	9.5
159.08105	5.9
159.11696	30.5
160.08855	1.3
161.09637	7.4
161.13268	8.8
163.11201	7.0
165.07010	8.3
165.09109	39.5
166.07838	3.8
167.08577	13.1
167.10680	18.0
168.09351	11.6
169.10147	32.8
170.10919	12.6
171.11697	36.3
171.13101	2.9
172.08913	1.4
172.12473	3.5
173.09630	5.1
173.13271	24.9
175.11186	5.0
175.14796	9.0
177.09169	1.6
177.12762	1.6
178.07840	3.6
179.08560	16.1
180.09355	8.0
181.10162	17.5
181.12245	4.6
182.10915	9.6
183.11699	29.4
184.12488	6.6
185.09676	2.4
185.13255	20.5
187.11201	3.7
187.14792	7.8
189.12790	9.4
191.14261	7.9
192.09369	8.0
193.10135	16.8
193.11905	1.8
194.10901	13.0
195.11713	25.2
195.13531	1.1
196.12463	8.1
197.13269	21.4
198.14008	2.3
199.11195	3.5
199.14827	17.3
201.12852	1.6
201.16444	3.4
203.08527	1.6
203.14357	17.0
204.09415	2.1
205.10214	6.3
205.15810	1.7
206.10965	9.0
207.11726	24.9
207.13805	6.4
208.12546	8.8
209.13281	31.7
209.15263	2.5
210.14079	4.7
211.14774	10.6
213.12807	4.0
213.16394	5.1
215.08678	1.9
215.14436	3.3
216.09497	1.9
217.10139	5.6
217.15926	9.9
218.11002	5.2
219.11691	10.9
220.12479	5.9
221.13260	19.2
221.15421	70.4
222.14073	4.4
223.11299	2.3
223.14804	15.4
224.15778	2.3
225.12672	2.4
225.16447	5.0
227.14308	3.0
229.10120	2.2
229.15794	2.0
230.10992	3.5
231.11713	6.9
231.13802	2.6
231.17398	2.7
232.12518	5.1
233.13263	11.2
233.15442	10.7
234.14056	5.0
235.14810	12.2
235.16910	1.6
236.15581	2.9
237.12804	1.7
237.16373	8.6
239.14337	3.1
239.18013	4.2
243.11694	3.2
243.17545	1.7
244.12529	3.0
245.13300	7.7
246.14171	4.6
247.14861	11.5
247.16945	2.3
248.15657	2.7
249.16420	11.7
250.17050	2.5
251.14246	1.6
251.17946	5.4
253.16002	1.7
253.19505	3.0
255.11693	1.7
255.17477	1.5
257.13403	3.7
257.19101	7.9
258.13943	3.3
259.14822	6.5
260.15607	5.3
261.16321	8.9
262.17303	1.9
263.17938	7.5
264.18695	1.9
265.19531	8.2
267.17328	2.5
269.19019	4.3
271.15103	8.5
271.20566	2.5
272.15530	2.5
273.16269	6.0
274.17212	3.5
275.17911	10.3
277.19537	5.4
279.21106	2.4
281.18924	3.3
283.20532	14.7
287.17590	2.3
287.20432	2.9
289.19574	5.0
291.17316	1.5
291.21017	2.7
293.19159	2.3
295.20685	4.1
297.22281	4.2
299.17502	1.8
299.20370	2.0
300.20972	2.3
301.19244	1.8
303.21112	2.5
305.22580	1.6
307.20657	2.6
309.22351	1.9
317.22552	2.0
329.22711	2.7
331.24258	7.2
333.22131	2.6
335.23926	2.2
341.22723	2.0
347.23700	1.8
349.25290	5.9
352.23953	1.8
353.24683	1.4
357.25781	3.2
361.25375	2.0
365.24664	2.4
371.23660	1.5
375.22229	2.3
375.26578	6.9
401.28619	1.6
403.29907	7.9
491.35202	4.2
503.35217	6.6
509.34305	2.0
547.39246	2.7
565.31598	1.9
565.40436	23.5
583.41498	100.0
584.41803	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.7
55.05518	22.8
55.42654	2.3
57.07066	10.5
59.05006	3.2
64.26572	2.9
65.03931	7.7
67.05515	24.7
69.03441	7.1
69.07079	20.0
70.53570	9.2
79.05502	31.3
81.07062	37.4
82.60335	2.4
83.04992	12.2
83.08628	12.1
85.06539	8.7
85.95271	2.6
89.06013	2.5
91.05485	55.7
91.48005	2.5
93.07054	69.8
95.04978	13.8
95.08116	3.5
95.08620	39.6
95.84538	3.2
97.06535	7.9
102.00922	2.9
103.05434	3.4
105.07033	81.3
107.07873	2.7
107.08591	49.9
107.09272	3.6
109.06535	8.3
109.10159	19.2
113.09548	2.8
115.05463	6.9
117.07032	18.7
119.08591	100.0
119.09453	5.2
119.79037	2.5
121.06539	5.2
121.10153	55.4
123.08076	15.2
123.11706	9.1
125.06021	4.0
125.09608	3.4
128.06223	16.5
129.07025	20.9
130.00739	2.6
130.07796	11.9
131.08578	35.7
133.06459	3.2
133.10147	44.8
135.08064	12.3
135.11685	17.8
137.09673	12.8
141.06995	10.0
142.07797	32.3
143.08569	55.1
144.09319	11.5
145.10132	65.8
147.08057	18.5
147.11732	17.8
149.09688	6.2
149.13274	3.2
151.07509	13.2
153.06995	7.4
154.07780	6.2
155.08583	23.7
156.09381	22.0
157.10130	69.4
158.10954	13.6
159.08086	5.6
159.11697	30.3
161.09583	6.2
161.13280	6.1
163.11186	7.4
165.07033	10.4
165.09125	34.0
167.08640	12.7
167.10660	15.6
168.09373	5.9
169.10143	44.7
170.10941	16.4
171.11717	39.7
173.13271	29.7
175.11234	6.0
175.14812	8.9
178.07794	3.4
179.08560	19.7
180.09346	9.3
181.10117	27.5
181.12225	4.6
182.10873	10.1
183.11710	36.7
184.12450	6.2
185.13318	21.3
187.14842	7.0
189.12778	9.0
191.14330	9.5
192.09343	5.9
193.10153	17.9
194.10880	13.5
195.11714	30.0
196.12442	5.7
197.13254	25.7
199.14836	19.6
201.12697	3.2
201.16438	5.1
203.08566	4.7
203.14345	14.0
205.10155	6.3
206.10931	10.2
207.11713	22.3
207.13727	5.8
208.12512	8.2
209.13301	33.3
210.14058	5.2
211.11212	2.9
211.14832	13.1
213.16402	4.8
217.10080	7.3
217.15929	9.0
218.10928	4.1
219.11746	9.8
220.12492	8.1
221.13300	20.5
221.15388	59.5
223.14793	16.4
224.15495	2.8
225.16425	7.3
227.18022	4.0
229.10010	3.6
231.11699	9.0
232.12476	7.4
233.13257	13.6
233.15372	6.1
234.14009	6.6
235.14835	16.9
235.16866	3.2
237.16379	11.1
239.17996	7.1
243.11674	4.5
244.12506	2.7
245.13313	11.4
246.13947	6.9
247.14775	12.7
247.17041	3.3
248.15553	4.5
249.16443	11.7
251.17900	6.4
255.17630	3.5
257.13104	5.8
257.18988	9.4
259.14844	8.6
260.15622	7.3
261.16425	14.8
263.17917	5.7
265.19519	8.9
269.19046	5.8
272.15521	3.2
273.16431	6.2
274.17258	3.3
275.17911	16.1
277.19583	4.8
283.20602	24.5
285.18848	3.0
286.17081	3.5
287.17752	5.0
289.19556	7.5
291.21075	3.1
293.19022	2.8
295.20642	7.0
297.21777	4.0
301.19470	7.5
321.22183	3.0
331.24216	7.9
335.23859	3.2
349.25177	10.1
359.23611	3.1
361.25275	4.1
375.26941	7.4
403.29868	6.0
414.23047	3.0
491.34988	10.4
503.34845	3.3
565.40399	17.2
583.41516	78.8
584.41315	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	583.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01641	3.4
55.01867	8.7
55.05502	16.9
56.10893	3.8
57.03423	6.9
67.05496	44.1
69.03429	16.6
69.07066	13.1
70.28373	13.2
71.04987	7.2
79.05506	21.3
81.03425	26.4
81.07066	35.0
83.04974	8.2
83.08615	12.4
85.02888	12.8
85.06540	10.6
87.88748	3.4
91.05481	34.5
93.07045	26.8
95.04974	14.2
95.08604	66.8
97.02888	10.3
97.06529	11.5
97.10112	4.6
99.04464	5.4
105.07027	20.7
107.04966	6.1
107.08603	21.2
109.02869	16.2
109.06491	10.2
109.10153	23.7
111.04421	9.3
119.08595	26.1
121.06484	9.5
121.10125	16.2
123.08073	21.7
125.09634	8.6
127.03922	18.2
131.08562	13.3
133.06485	8.1
133.10155	13.5
135.08035	7.8
135.11693	16.8
137.05974	15.4
137.09621	8.7
137.13257	5.6
143.08551	5.9
145.10085	8.3
147.08052	9.8
147.11703	10.1
149.09607	73.3
149.13196	5.7
151.03879	6.1
151.07536	9.6
153.01805	6.6
153.05472	4.0
157.10146	6.2
159.11716	8.3
161.06050	4.0
161.13239	13.4
163.11160	7.9
165.09151	5.2
165.12743	6.2
167.07066	5.7
171.11716	9.4
173.11797	5.4
177.05452	4.5
179.14334	8.0
181.05052	5.2
187.14764	4.8
189.12770	28.6
191.14232	4.8
193.12222	6.2
198.11435	4.4
203.14238	5.9
207.13794	100.0
211.13229	7.3
229.14183	4.3
233.15344	4.4
256.63907	3.9
275.20132	5.9
323.18460	20.6
341.19742	8.2
399.16074	4.1
453.48639	4.8
551.21912	13.8
561.06494	4.1
566.29187	4.3
583.32538	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
55.54013	0.9
56.96556	1.3
62.05077	0.7
64.89944	0.8
67.05500	3.7
69.07085	1.0
71.62112	0.9
79.05495	2.5
80.49758	0.9
81.03422	2.6
81.07059	3.7
83.04998	1.0
83.08601	1.0
91.05502	3.0
93.07041	1.6
95.08611	1.4
103.80163	0.8
105.07051	3.2
107.08611	1.5
109.10152	1.5
111.04444	0.9
117.06995	1.1
119.08590	2.9
121.10162	1.4
127.55692	1.0
129.06993	1.1
129.61572	1.0
131.08588	1.3
135.08057	1.0
135.11697	1.2
135.21637	0.8
141.07005	1.0
157.10107	1.2
182.09721	1.5
183.09207	1.5
192.40573	1.0
195.09212	2.7
196.09848	1.7
197.10728	1.1
199.14894	1.3
204.09174	1.0
208.10005	1.4
209.10725	18.3
210.11494	9.1
211.08609	2.1
212.09436	2.5
213.10104	0.9
214.33669	1.1
223.08598	1.0
223.12364	2.4
224.09534	1.3
225.10202	4.4
226.11223	1.3
227.11787	3.5
237.10257	9.8
238.10960	7.4
239.11877	2.6
251.11870	3.4
252.12558	1.9
253.09743	1.2
253.13377	2.4
269.12872	9.1
271.10864	1.6
279.11380	2.6
283.10941	0.9
284.11591	1.8
285.12378	1.8
297.12357	95.0
298.12692	1.8
299.13919	6.4
316.14346	1.2
328.14407	1.1
329.14902	1.0
330.15945	1.4
343.85703	0.9
421.16373	1.2
435.18353	2.6
436.18536	1.2
449.19635	1.3
450.20538	1.2
451.21375	1.5
465.22806	1.7
505.21973	1.2
565.24451	2.1
583.25531	100.0
584.25793	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	581.15
Annotation	Kaempferol 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
62.87529	0.2
67.01849	0.3
67.49632	0.1
68.99783	0.2
69.03378	0.1
70.72303	0.3
72.84479	0.1
73.02881	0.1
85.02911	0.2
89.00034	0.1
91.28351	0.1
95.52944	0.1
107.04919	0.2
124.11214	0.3
135.04404	0.9
137.02328	0.3
148.89563	0.1
153.01830	3.2
167.07030	0.5
171.02917	0.2
176.42606	0.2
217.23798	0.1
241.04942	0.3
269.04294	0.4
287.05496	100.0
288.05847	1.0
389.15970	0.4
401.15924	0.5
419.09729	39.6
420.10037	0.5
448.39124	0.1
581.14624	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1502
Annotation	Kaempferol 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
50.82796	0.1
52.83278	0.2
62.94754	0.1
67.01846	0.3
68.99783	0.2
70.72137	0.2
70.72485	0.3
85.02904	0.2
88.80486	0.1
97.02831	0.2
107.04901	0.2
124.11214	0.6
135.04416	0.9
137.02361	0.3
153.00700	0.3
153.01837	4.0
161.02325	0.3
167.07010	0.4
168.07349	0.2
171.02811	0.2
179.03267	0.2
181.04858	0.1
185.05992	0.2
241.04921	0.4
263.89526	0.1
269.04495	0.4
282.41513	0.1
286.04715	0.2
287.05499	100.0
288.05820	0.9
306.65695	0.2
389.15894	0.3
401.16052	0.4
419.09741	41.7
420.10031	0.4
432.77905	0.1
581.14496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.15
Annotation	Kaempferol 7-glucosyl-(1->4)-xyloside
Peak:m/z	Relative Intensity
53.32628	0.2
56.51977	0.2
57.03443	0.2
68.99793	0.3
69.71449	0.5
69.71854	1.0
81.07028	0.2
85.02915	0.3
95.43678	0.2
98.20738	0.3
107.04945	0.3
109.02903	0.3
124.11182	0.7
135.04372	0.9
137.02303	0.3
137.55688	0.3
153.01830	3.3
161.02391	0.3
167.07005	1.1
171.02907	0.3
179.03322	0.2
181.05186	0.2
241.04875	0.3
265.12323	0.5
266.10574	0.4
269.04523	0.3
283.13269	0.6
287.05496	100.0
288.05783	1.1
309.11218	0.6
335.19501	0.2
341.18741	0.2
389.16022	0.6
389.22211	0.6
401.16049	0.4
405.41269	0.3
407.23361	1.3
419.09738	42.5
420.09998	0.3
425.24338	0.6
473.28076	0.5
491.29065	11.0
528.00854	0.2
550.32227	0.3
563.22034	0.3
581.13727	1.3
581.29089	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35326	8.6
55.05497	30.4
57.03428	24.4
57.07061	22.0
59.25946	8.0
65.03952	12.9
67.05503	82.4
69.07075	20.3
75.79778	9.4
79.05507	66.0
80.41828	8.7
81.03415	48.7
81.07050	62.7
83.04981	55.2
83.08607	34.2
85.02890	26.6
91.05493	61.4
93.06544	9.2
93.07044	51.4
95.04957	28.1
95.08609	51.3
97.06520	10.6
97.10136	8.0
105.07037	47.2
107.08636	44.9
109.06534	9.3
109.10111	15.7
111.08096	10.9
119.08584	32.1
121.10145	28.4
129.07007	18.3
131.08566	22.5
133.10173	19.1
141.07065	9.7
145.10103	13.3
147.11685	47.8
157.10095	15.2
165.12759	9.1
175.11214	16.4
193.12279	66.5
198.79552	8.6
207.35240	8.4
211.13283	97.4
233.89355	9.2
261.22153	14.8
267.15851	14.7
285.16965	89.5
335.25851	100.0
337.02283	26.6
393.08524	11.2
525.18188	53.6
545.38208	74.9
581.24365	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	580.421
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51826	6.0
55.05511	19.4
57.03437	18.3
57.50621	7.1
67.05505	51.6
69.07071	22.1
71.04990	7.6
75.79523	6.5
79.05499	46.6
81.03431	42.2
81.07066	78.6
83.04971	15.9
83.08617	19.4
85.02908	18.1
87.60764	6.0
88.14187	6.1
91.05467	49.4
93.07062	37.1
95.04972	16.6
95.08614	38.6
105.07039	31.2
107.04964	8.7
107.08598	30.3
109.10165	13.8
111.08040	8.5
117.61374	6.7
119.08581	24.7
121.10149	23.8
123.11712	10.8
129.07033	7.8
131.08574	20.7
133.10147	14.2
135.11702	17.4
142.07713	7.9
147.11668	8.9
157.10136	19.5
175.11208	11.7
193.12219	45.5
211.13332	60.6
261.22104	11.1
285.16812	39.7
335.25851	100.0
527.37299	12.9
545.38696	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	580.3247
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53900	1.4
55.01873	1.7
55.05501	6.4
56.05025	2.4
57.03413	1.5
67.05493	4.7
69.07073	8.0
69.48042	9.8
69.48463	3.7
70.06568	2.5
71.08627	8.4
77.85618	1.6
79.05486	4.2
81.07044	9.6
81.08162	1.5
82.06615	2.0
83.07348	4.6
83.08598	4.4
86.06061	10.3
93.07047	4.6
95.08607	3.7
96.08124	5.3
97.06513	2.5
98.09696	100.0
98.97563	2.3
99.08082	5.9
105.07026	2.6
107.08581	4.4
109.10147	2.5
116.10735	52.0
119.08572	2.1
122.09694	3.0
124.07607	2.8
124.99995	2.4
133.80060	1.7
135.11650	1.5
142.12294	4.7
143.10635	1.9
149.13254	5.1
167.14268	2.2
173.11723	7.7
178.15874	4.7
196.07364	16.9
196.16982	35.4
214.17984	20.9
231.15804	3.7
238.18018	2.1
252.09915	8.3
269.17377	2.6
270.11005	14.8
287.18509	10.8
292.22647	4.4
294.14642	7.0
310.23730	13.0
328.24731	6.9
350.17474	8.1
368.18329	86.7
408.21283	4.5
408.31055	21.2
464.23904	8.1
482.25238	30.8
580.31757	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	579.3892
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
53.03949	6.3
55.01872	6.5
55.05509	29.1
57.03434	10.3
57.07068	4.9
61.91282	3.4
65.03942	4.8
67.05163	5.1
67.05513	100.0
67.65393	3.4
69.07076	28.8
71.04993	5.6
71.62059	4.2
73.53318	3.3
79.05496	60.0
81.03421	8.2
81.07061	77.3
83.04972	10.3
83.08627	12.5
91.05486	44.8
93.07049	58.0
95.04979	9.9
95.08613	55.4
97.06531	11.9
97.10181	12.2
97.48260	3.4
105.07043	34.4
106.68872	3.5
107.04961	9.6
107.08597	32.4
109.06553	6.3
109.10170	24.6
111.04446	8.6
111.08055	4.1
117.07056	16.7
119.08605	24.3
121.06535	6.2
121.10151	36.6
123.08097	4.8
123.11670	5.4
125.09611	13.0
129.07002	9.2
131.08580	25.2
133.10112	19.7
135.08046	4.9
135.11702	22.1
137.09712	5.5
143.08600	9.2
145.06485	3.5
145.10114	25.1
147.08133	3.9
147.11685	18.7
149.09567	8.0
149.13271	10.0
155.08531	6.4
157.10152	8.5
159.11719	13.6
161.13266	4.9
163.11180	11.0
163.14850	4.2
167.08505	4.2
171.11636	4.9
173.09631	7.4
173.11813	5.8
173.13333	9.6
174.67177	3.4
181.12247	6.5
183.11807	4.0
187.14790	4.7
189.11209	3.7
191.10716	8.5
209.11745	7.4
211.13228	4.6
227.12788	9.7
229.14444	6.7
261.22070	8.2
265.14429	4.8
277.21710	6.8
283.15457	8.7
301.16483	13.7
301.21222	4.7
303.22958	4.8
315.23135	3.5
335.25882	13.9
451.31412	3.9
469.32782	7.3
487.34320	9.2
489.35635	3.8
525.35315	4.4
543.37231	20.4
561.38110	26.0
579.39386	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	579.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16743	2.6
52.74212	2.8
55.01856	4.9
55.05502	7.1
57.07062	4.4
65.03924	4.1
67.05500	26.6
69.03440	15.9
69.07073	14.3
70.89334	5.3
70.89653	4.0
71.04977	9.8
79.05486	13.4
81.03400	12.1
81.07055	26.0
83.04963	11.4
83.08601	9.1
83.12410	3.0
85.02910	7.1
85.06516	5.6
88.13315	3.1
88.41492	2.9
89.53371	3.1
91.05465	19.2
93.07041	20.7
95.04982	3.7
95.08608	36.0
97.02875	9.2
97.06528	3.1
97.10185	4.2
98.20771	2.9
99.04444	19.9
105.06380	4.8
105.07033	58.3
107.04964	6.4
107.08591	36.5
109.02873	8.3
109.06504	11.4
109.10154	97.5
109.10906	4.8
111.04527	3.0
111.08104	3.0
119.04917	3.9
119.08579	49.1
121.06519	6.7
121.10139	18.2
123.08080	14.2
123.11703	10.5
127.03878	14.2
128.06215	3.6
131.04889	5.2
131.08549	4.6
133.06502	6.8
133.10129	75.5
133.20314	3.5
135.11691	100.0
137.05962	5.8
137.09636	14.2
143.08578	8.8
145.10132	13.4
146.07263	4.5
147.04364	4.8
147.08070	17.7
147.11674	5.4
147.76587	3.0
149.05939	2.8
149.09489	3.3
149.13274	4.6
151.11237	6.4
151.14821	13.7
157.10138	3.5
159.08051	4.6
161.08263	5.1
161.09621	87.7
163.11176	12.9
165.16287	3.4
167.07108	5.4
175.14810	36.4
179.10649	13.7
181.04970	3.3
189.09103	27.9
189.12788	4.1
193.15895	57.0
193.17616	4.5
207.10164	27.3
211.16916	42.7
225.11241	6.6
259.13159	2.9
271.05890	7.8
287.05408	9.2
333.13434	5.6
351.14380	27.0
369.15048	3.2
399.25110	15.8
440.73380	3.5
466.39423	3.3
547.19171	4.0
561.30127	14.0
579.30377	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	579.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.5
56.96566	18.3
67.05507	1.7
71.62035	1.7
71.95257	1.3
79.05479	1.1
81.03434	1.0
81.07056	1.8
84.96027	7.6
86.44398	1.0
91.05489	1.1
91.27737	0.9
93.07043	1.0
98.97589	47.7
102.97065	1.1
105.07037	2.6
107.08629	2.2
109.10220	1.2
110.97566	11.8
112.99136	1.4
116.98631	18.3
121.10146	1.2
124.99165	1.4
126.96980	1.3
128.98610	13.0
131.00111	1.6
134.99664	4.0
140.00218	2.2
140.98593	3.2
143.00177	6.3
144.98105	4.0
146.99655	4.3
152.98569	5.7
153.00761	1.1
155.00174	1.0
158.99652	11.0
161.01208	5.4
162.99173	2.6
170.99648	7.3
173.01215	1.9
177.00703	9.4
182.99664	1.8
185.01276	1.2
189.00732	5.1
191.02371	0.9
201.00714	3.3
219.01787	16.0
237.02826	22.7
242.03392	1.9
259.16049	1.3
260.04550	1.6
264.75052	1.0
285.17493	4.6
327.18457	1.1
387.20554	28.3
405.21524	10.3
428.23230	2.6
519.24811	100.0
520.25122	1.9
537.26416	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2072
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
51.70160	0.3
52.99186	0.3
53.03934	0.6
55.01853	0.7
55.40115	0.3
65.03932	0.9
67.05486	0.6
69.03415	1.4
69.83334	0.8
69.83748	1.1
72.24390	0.4
72.78696	0.4
78.04698	1.9
79.05467	0.9
81.03379	0.4
82.04159	0.6
85.02901	2.1
91.05460	0.7
93.03399	0.6
95.04958	0.6
96.05688	0.4
97.02867	0.7
97.06503	0.7
103.05444	0.9
106.04165	1.1
107.04945	1.2
109.02827	0.4
110.03668	0.5
115.05466	2.8
117.07023	6.0
117.41263	0.4
123.04417	5.1
124.05209	1.6
124.11198	0.7
125.06004	0.5
127.05433	0.8
134.03635	0.7
135.04504	0.3
138.03082	0.6
139.71175	0.4
142.02684	0.5
145.06482	8.8
147.07968	0.4
151.03891	0.9
151.79286	0.4
152.04700	1.7
153.05438	0.7
155.06049	3.6
159.71469	0.3
167.07039	100.0
168.07384	0.5
171.06532	0.6
173.05983	17.5
175.07523	0.5
181.04958	21.1
199.90118	0.3
201.05510	0.6
204.22897	0.3
205.08603	3.4
233.08057	5.2
235.09683	3.5
237.79514	0.4
311.22610	0.4
330.14960	0.4
387.14392	16.2
394.55496	0.4
417.15439	11.6
579.20728	44.3
580.21130	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2074
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
50.50206	0.5
53.03949	0.6
56.74403	0.4
62.41206	0.5
65.03931	1.4
67.05505	0.6
69.03440	2.0
70.06603	1.0
71.60842	0.7
74.33400	0.5
78.04682	1.5
79.05484	1.3
81.03401	1.2
82.04164	0.5
85.02904	2.9
86.06063	3.8
91.05471	1.2
95.04950	0.8
97.02857	1.2
97.06522	0.6
103.05459	1.8
106.04172	1.3
107.04949	2.1
109.02863	0.6
110.03674	0.7
115.05474	2.9
115.08703	0.9
117.07028	6.1
119.08639	0.4
123.04439	5.2
124.05196	1.6
124.11224	1.2
125.05991	0.9
127.03916	0.9
127.05405	0.6
137.05957	0.7
142.02620	1.0
143.04922	0.5
145.06497	9.2
147.04346	0.5
151.03928	1.0
152.04710	2.1
153.01781	0.6
153.05493	0.5
155.06026	3.9
167.07047	100.0
168.07397	0.5
171.06604	0.8
173.05986	19.0
181.04955	21.3
191.07011	0.6
205.08562	3.8
233.08102	5.8
235.09715	3.3
248.98595	0.9
267.14542	0.4
304.97433	1.0
332.96912	5.0
332.99789	0.4
360.99918	0.6
387.14413	17.9
399.14346	0.8
417.15497	12.8
449.06531	4.2
555.28076	0.5
561.11633	1.4
579.20746	45.1
580.21173	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
53.59424	0.1
55.01883	0.1
61.76558	0.1
67.01880	0.6
67.05499	0.1
68.99791	0.4
69.03429	0.1
70.89217	0.1
70.89530	0.1
79.05504	0.1
80.34646	0.1
81.03407	0.4
81.07088	0.2
85.02890	0.2
89.03919	0.2
91.05474	0.1
93.07028	0.2
95.04971	0.2
95.08599	0.2
97.02886	0.3
103.05476	2.1
105.07029	0.3
107.04971	0.1
109.02870	0.3
111.00826	0.1
111.04501	0.1
115.05480	0.1
117.03377	0.3
117.07005	0.1
119.08573	0.2
121.06541	0.1
121.10124	0.1
127.03915	0.2
129.01865	0.2
129.07040	0.1
131.04933	9.6
133.06534	0.1
133.10101	0.1
135.04422	2.0
137.02362	0.6
145.10034	0.1
147.04408	0.2
149.02257	0.1
149.05959	0.4
153.01837	5.8
161.02333	0.6
167.07018	0.1
171.02905	0.6
171.04164	0.1
179.03375	0.4
185.05925	0.1
189.05406	0.1
192.39444	0.1
199.03912	0.1
201.05434	0.1
203.03387	0.1
213.05490	0.2
214.03366	0.1
241.04935	0.6
245.04427	0.1
252.60966	0.1
259.06091	0.1
263.05569	0.1
269.04364	0.5
271.06067	0.2
275.09137	0.8
287.05502	100.0
288.05893	0.9
293.10294	0.2
429.33258	0.1
539.29816	0.1
579.14685	0.3
579.32428	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	579.15
Annotation	Apigenin 7-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
53.03945	0.1
61.68383	0.1
65.03943	0.3
67.01876	0.6
68.99792	0.5
69.03442	0.2
71.05630	0.1
71.05950	0.2
81.03427	0.8
85.02895	0.2
90.30983	0.1
91.04941	0.2
91.05479	2.0
97.02904	0.1
97.17387	0.1
99.04425	0.1
109.02870	0.4
110.03159	0.1
119.04947	6.1
121.02864	0.9
127.69566	0.1
129.01797	0.2
145.02850	1.2
147.04413	24.8
153.01836	6.3
163.03915	0.6
165.05472	0.7
171.02901	0.8
187.03905	0.1
202.06142	0.1
203.07050	0.4
225.05457	0.7
229.05022	0.4
243.06427	0.3
270.05298	0.1
271.06015	100.0
272.06290	1.0
289.53131	0.1
291.08624	1.8
307.04654	0.1
309.09753	0.7
358.43344	0.1
579.15613	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1499
Annotation	Apigenin 7-(6''-E-p-coumaroylgalactoside)
Peak:m/z	Relative Intensity
53.91417	0.1
55.05219	0.1
56.96566	0.2
65.03938	0.2
67.01868	0.5
67.05523	0.2
68.99796	0.4
69.03432	0.3
69.07070	0.1
70.16199	0.1
70.66116	0.3
79.05511	0.3
81.03418	0.4
81.07050	0.3
85.02896	0.4
91.05473	1.8
93.07015	0.3
95.08587	0.2
97.02908	0.2
98.97592	0.2
99.04460	0.1
105.07037	0.4
107.08564	0.3
109.02851	0.3
118.76277	0.1
119.04947	4.3
119.08553	0.2
121.02859	0.5
121.10162	0.1
123.07977	0.1
124.11262	0.1
125.09722	0.1
127.03947	0.4
127.11229	0.1
131.08643	0.2
133.10156	0.3
145.02827	0.8
145.06459	0.1
147.04411	17.5
147.11658	0.1
151.03938	0.1
153.01823	4.8
161.05978	0.1
161.09711	0.2
163.03893	0.8
165.05479	0.2
167.07071	0.3
171.02914	0.5
173.05931	0.2
175.03961	0.2
176.64311	0.1
181.04938	0.1
187.03889	0.1
187.07542	0.1
203.06967	0.1
207.06464	0.6
219.01799	0.1
225.05435	0.4
229.05031	0.2
237.02667	0.2
243.06551	0.4
255.06468	1.3
271.06009	100.0
272.06378	1.0
291.08554	0.8
309.09686	0.2
501.48633	0.1
513.96021	0.1
556.74420	0.2
579.14441	0.7
579.34326	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Apigenin 7-(6''-p-coumarylglucoside)
Peak:m/z	Relative Intensity
57.66212	0.1
63.24821	0.1
64.79388	0.1
65.03951	0.4
67.01866	0.6
68.99789	0.2
69.03467	0.2
69.70859	0.9
81.03414	0.9
81.26581	0.1
85.02906	0.2
91.05479	3.0
98.21400	0.2
99.04467	0.1
100.00375	0.1
107.85087	0.1
109.02877	0.5
119.04948	7.9
121.02863	0.5
127.03929	0.2
129.01863	0.2
145.02869	0.6
145.06477	0.1
147.04413	43.6
148.04735	0.3
153.01830	6.1
163.03932	0.4
165.05461	1.0
171.02864	0.5
225.05499	0.3
229.05070	0.3
243.06602	0.4
271.06012	100.0
272.06326	1.1
291.08627	3.2
309.09723	0.8
579.15173	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.15
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
53.03949	0.4
60.69315	0.1
67.01859	0.5
67.05502	0.2
68.99796	0.3
69.03421	0.3
69.71999	0.4
69.72414	0.5
71.05001	0.2
79.05510	0.2
81.03419	0.7
81.07042	0.2
85.02895	0.4
91.05487	0.2
93.07016	0.4
95.04974	0.2
95.08604	0.3
97.02887	0.7
98.97556	0.1
101.12099	0.1
103.05473	3.5
105.07036	0.3
107.08629	0.2
109.02859	0.5
111.04457	0.2
117.03370	0.2
119.08594	0.2
121.10165	0.2
127.03917	0.3
129.01836	0.2
131.04935	12.2
133.10120	0.2
135.04451	1.5
137.02336	0.7
145.10162	0.2
147.04367	0.4
147.08029	0.2
149.05977	0.6
149.09756	0.2
153.01834	5.8
161.02364	1.0
167.07068	0.4
171.02881	1.1
179.03439	0.4
181.05046	0.2
205.16055	0.2
218.05847	0.2
219.06453	0.2
241.04883	0.9
245.04596	0.2
263.05530	0.2
269.04315	0.5
271.05963	0.5
275.09271	1.0
287.05508	100.0
288.05780	0.8
293.10193	0.2
399.07965	0.2
487.13419	0.2
529.15747	0.2
579.14911	0.3
579.23218	0.2
579.33514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1501
Annotation	Kaempferol 3-(6''-(Z)-cinnamylglucoside)
Peak:m/z	Relative Intensity
51.02381	0.7
53.03942	1.0
60.27262	0.3
65.03939	0.4
67.01854	0.6
67.05515	0.5
68.36762	0.3
68.99781	0.4
69.03416	1.7
69.07062	0.4
70.20007	1.2
71.04984	0.3
79.05506	0.7
81.03417	3.4
81.07059	0.9
83.04988	0.4
84.84935	0.3
85.02921	1.5
91.05474	0.7
93.07059	0.6
95.04967	1.4
95.08601	1.0
97.02922	1.7
98.21373	0.6
99.04453	0.8
103.05470	26.8
104.05811	0.4
105.04494	0.3
105.07035	0.8
107.08609	0.7
109.02875	2.2
109.10228	0.4
115.79775	0.3
119.04989	0.4
119.08606	0.7
127.03939	1.6
129.07065	0.3
131.04929	76.5
133.10117	1.0
135.04427	1.7
137.02373	0.5
137.05962	0.5
137.09660	0.6
145.10159	0.6
147.04375	1.1
149.05954	2.0
153.01830	6.0
153.02995	0.6
157.10196	0.3
161.02431	0.7
161.06056	0.4
161.09619	0.4
165.92053	0.4
167.07037	1.1
171.02887	0.4
181.04970	0.4
191.07054	0.4
191.10574	0.3
199.89113	0.4
205.11790	0.4
207.13840	0.4
241.05009	0.4
258.05066	0.4
269.04526	0.6
271.05945	1.8
275.09143	4.5
287.05499	100.0
288.05847	0.9
293.10199	1.0
417.26111	1.0
579.14276	3.7
579.31622	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.8
55.01878	3.1
55.05505	33.1
57.03437	10.9
57.07080	4.0
67.05158	6.9
67.05508	90.5
69.03409	4.6
69.07079	27.4
70.84953	4.0
70.85304	6.8
71.05007	14.8
79.05493	70.8
79.99322	2.9
81.03424	22.1
81.07062	100.0
83.04977	10.9
83.08632	18.8
85.06546	10.6
89.57468	2.9
91.05482	52.6
93.07050	74.5
95.04975	14.7
95.08610	61.4
97.06549	11.1
97.10191	16.3
105.04530	3.8
105.07036	52.0
107.04967	5.1
107.08594	37.4
109.06532	8.3
109.10164	34.5
111.08091	6.6
117.07050	23.5
117.07792	5.0
119.08601	46.2
121.06506	5.4
121.10153	38.4
122.10476	3.5
123.08162	4.9
123.11737	10.4
125.09645	14.9
125.91653	3.3
126.89721	3.3
129.06992	12.4
130.07771	3.0
131.08568	39.7
133.10141	37.6
135.08041	5.1
135.11728	21.0
137.09613	5.1
141.07005	5.3
143.08591	12.8
145.10104	29.7
147.11717	29.8
149.09624	8.1
149.13239	6.9
153.09169	4.2
155.08551	7.4
157.10193	18.7
159.11732	20.3
161.13223	8.7
163.11159	3.7
165.12849	5.3
167.08701	4.1
167.10657	3.4
169.10138	8.7
171.11688	15.1
173.11867	4.5
173.13214	16.7
175.11197	4.8
183.11752	9.2
185.13269	8.8
187.14862	10.2
189.11278	6.4
189.16391	4.7
193.12296	7.1
195.11682	4.5
195.13646	4.1
197.13342	5.5
199.13234	4.2
199.14888	6.3
209.13399	3.7
211.14891	3.9
216.47926	3.4
221.13173	3.6
225.16422	4.4
227.12711	15.4
237.32596	3.8
244.75179	3.1
261.22107	11.2
267.15970	17.6
271.20706	3.2
285.22232	5.2
287.23996	4.0
289.21625	9.3
301.25357	8.8
323.23529	3.8
335.25815	19.4
361.27682	3.8
361.66684	3.2
363.25351	6.2
417.31564	6.1
435.32660	18.1
453.33743	8.9
471.34741	6.8
509.35953	5.1
527.37329	63.6
545.38196	46.0
559.39636	13.5
577.40375	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	577.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29849	2.7
53.03952	7.4
53.84525	2.6
55.01863	4.5
55.05518	31.8
57.03424	7.9
63.58237	3.0
65.03950	5.4
67.05511	85.7
69.03415	4.1
69.07076	26.2
70.85876	4.6
70.86197	3.2
71.04985	15.5
72.14925	3.2
79.05499	64.6
81.03419	24.8
81.07062	100.0
83.04993	7.9
83.08634	22.4
85.06544	9.4
91.05499	52.4
93.07061	63.6
95.04979	15.2
95.08607	58.8
97.06528	9.1
97.10166	12.7
105.07044	59.8
107.04956	4.3
107.08608	34.0
109.06500	5.6
109.10175	28.8
111.08074	5.6
117.07047	19.8
119.08592	46.8
121.06550	4.9
121.10166	32.2
123.08083	4.6
123.11712	10.1
125.09634	11.4
128.06273	2.9
129.07013	13.5
131.08572	34.0
132.34360	3.1
133.10130	23.9
135.11694	13.1
137.09634	4.5
137.13275	3.7
141.07056	3.6
142.07788	3.1
143.08565	12.9
145.10136	27.1
147.11716	20.2
149.09631	6.1
149.13245	8.7
155.08551	9.1
157.10147	16.8
159.11688	18.3
161.13268	6.9
163.11188	6.2
169.10118	8.6
171.11699	12.6
173.11795	4.3
173.13234	14.6
175.14804	6.7
177.12756	4.4
181.10155	3.5
183.11681	7.4
185.13257	8.3
187.14897	6.9
189.11227	7.6
193.12260	8.2
195.11644	4.0
197.13362	3.5
199.14877	5.9
201.14742	3.0
209.13216	5.1
211.14850	4.2
213.14783	3.8
227.12743	18.0
239.16357	4.6
243.21037	3.9
261.22195	5.0
267.15903	22.3
281.47531	3.2
284.56329	2.9
287.23627	3.6
289.21494	4.9
301.25284	11.4
303.23288	5.9
327.23315	3.2
329.08911	3.8
335.25916	21.7
361.27484	3.7
363.25391	8.0
417.26474	4.1
417.31522	5.1
435.32599	17.8
453.33646	17.4
471.34558	8.1
501.35934	3.5
509.35986	6.6
527.37408	60.8
545.38416	57.5
559.39624	12.2
577.40649	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	577.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43075	4.0
53.03930	5.9
55.01869	4.6
55.05519	42.8
57.03429	15.9
57.07062	11.8
58.26336	4.6
62.10810	4.8
62.55575	3.8
64.88637	3.2
65.03942	5.6
67.05505	87.2
69.03404	4.4
69.07082	20.5
69.11603	3.5
71.04991	15.4
71.08624	6.2
71.62299	4.8
76.88776	3.5
77.59116	3.7
79.05493	64.9
81.03432	23.0
81.07054	100.0
82.33899	4.7
83.04978	6.3
83.08636	22.8
85.06562	9.4
91.05471	56.8
93.07047	71.5
95.04963	23.1
95.08603	66.0
97.06548	10.0
97.10180	21.2
99.08111	4.4
105.07025	53.6
107.04946	8.8
107.08593	51.0
109.06548	4.9
109.10162	31.8
111.08096	6.1
115.05521	5.2
115.46652	3.7
117.07026	23.3
119.08578	46.5
121.06553	5.2
121.10132	33.8
123.04462	7.1
123.08077	8.1
123.11711	11.9
125.09642	15.7
129.07016	10.9
131.08569	36.8
133.10132	29.1
134.90294	3.8
135.11705	17.0
137.13210	3.9
141.07040	4.0
143.08551	16.5
145.10085	22.4
147.11703	25.0
149.09660	8.8
149.13249	8.7
151.11194	5.7
155.08594	9.1
157.10120	14.6
159.11737	18.8
159.92099	4.3
161.09605	5.0
161.13268	14.1
163.11188	6.6
169.10170	7.1
171.11716	8.3
172.06145	3.6
173.13272	13.5
175.11172	4.4
175.14828	6.0
183.11705	5.9
185.13245	4.5
187.14816	7.5
189.11261	6.7
189.16470	7.8
193.10263	4.7
193.12288	10.6
197.13315	6.9
213.16487	5.0
227.12755	7.2
259.20697	5.2
261.22104	8.7
267.15860	16.4
287.23645	4.1
289.21750	4.0
301.25131	9.4
333.24136	4.3
335.25906	24.2
347.24057	4.2
363.25235	7.2
435.32513	10.5
453.33759	8.8
471.34750	7.2
509.36230	8.9
527.37402	50.9
545.38458	43.8
559.37750	6.0
577.40039	13.1
577.51495	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	576.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01871	4.1
55.05517	6.5
57.03450	1.6
58.99588	6.6
61.02947	1.6
67.05510	16.9
69.03427	3.6
69.07069	44.9
70.75386	2.2
70.75745	2.6
71.04984	2.7
76.02232	13.1
79.05493	17.9
79.73065	1.1
81.03421	3.5
81.07060	22.5
83.04982	5.9
83.08628	6.2
85.02902	9.3
85.06524	2.0
86.06093	1.4
86.99052	3.6
91.05482	16.0
93.07056	18.6
95.04964	5.9
95.08611	17.9
97.02906	4.7
97.06543	6.5
97.10148	1.4
98.21438	1.3
100.02200	2.4
102.12531	1.1
105.00099	6.9
105.07038	17.7
107.04964	4.8
107.08590	10.6
109.02911	1.6
109.06528	5.0
109.10151	6.6
111.08055	2.0
112.23708	1.3
116.10741	1.6
117.07059	5.8
119.08575	17.6
121.06469	7.0
121.10153	5.6
122.02733	64.6
123.08062	3.4
124.11270	2.1
125.09684	1.3
127.03909	2.5
131.08568	9.9
133.06500	2.6
133.10136	17.3
135.08014	3.7
135.11697	6.7
137.06033	1.3
137.09618	3.4
139.07506	1.2
143.08592	1.4
145.06432	1.7
145.10146	7.4
146.02681	3.1
147.08055	3.0
147.11639	6.9
149.09648	11.1
149.13284	2.1
151.11221	4.2
153.01828	6.7
157.10135	2.0
159.08014	1.4
159.11694	5.4
161.09615	2.3
161.13257	9.7
163.11171	7.1
164.03793	1.6
165.09047	1.5
165.12683	1.9
173.09648	1.9
173.13242	4.6
175.11247	1.4
177.12766	3.1
178.05069	1.4
179.14304	8.6
187.11163	1.7
187.14828	1.5
191.14398	2.2
197.13239	2.6
199.14850	1.5
201.14767	1.2
206.04504	4.2
207.13783	3.0
215.18158	1.9
217.15907	1.4
219.13680	2.2
227.19916	1.5
229.19577	2.9
239.17989	2.8
241.05212	1.6
247.20509	2.6
257.19006	9.2
275.20074	98.5
276.00061	1.3
284.08051	3.9
287.05527	3.4
288.05679	1.7
293.21115	100.0
302.14069	3.3
316.21219	2.5
344.73871	1.4
414.23099	32.4
414.28391	2.6
552.43079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.9
55.01871	4.1
55.05517	6.5
57.03450	1.6
58.99588	6.6
61.02947	1.6
67.05510	16.9
69.03427	3.6
69.07069	44.9
70.75386	2.2
70.75745	2.6
71.04984	2.7
76.02232	13.1
79.05493	17.9
79.73065	1.1
81.03421	3.5
81.07060	22.5
83.04982	5.9
83.08628	6.2
85.02902	9.3
85.06524	2.0
86.06093	1.4
86.99052	3.6
91.05482	16.0
93.07056	18.6
95.04964	5.9
95.08611	17.9
97.02906	4.7
97.06543	6.5
97.10148	1.4
98.21438	1.3
100.02200	2.4
102.12531	1.1
105.00099	6.9
105.07038	17.7
107.04964	4.8
107.08590	10.6
109.02911	1.6
109.06528	5.0
109.10151	6.6
111.08055	2.0
112.23708	1.3
116.10741	1.6
117.07059	5.8
119.08575	17.6
121.06469	7.0
121.10153	5.6
122.02733	64.6
123.08062	3.4
124.11270	2.1
125.09684	1.3
127.03909	2.5
131.08568	9.9
133.06500	2.6
133.10136	17.3
135.08014	3.7
135.11697	6.7
137.06033	1.3
137.09618	3.4
139.07506	1.2
143.08592	1.4
145.06432	1.7
145.10146	7.4
146.02681	3.1
147.08055	3.0
147.11639	6.9
149.09648	11.1
149.13284	2.1
151.11221	4.2
153.01828	6.7
157.10135	2.0
159.08014	1.4
159.11694	5.4
161.09615	2.3
161.13257	9.7
163.11171	7.1
164.03793	1.6
165.09047	1.5
165.12683	1.9
173.09648	1.9
173.13242	4.6
175.11247	1.4
177.12766	3.1
178.05069	1.4
179.14304	8.6
187.11163	1.7
187.14828	1.5
191.14398	2.2
197.13239	2.6
199.14850	1.5
201.14767	1.2
206.04504	4.2
207.13783	3.0
215.18158	1.9
217.15907	1.4
219.13680	2.2
227.19916	1.5
229.19577	2.9
239.17989	2.8
241.05212	1.6
247.20509	2.6
257.19006	9.2
275.20074	98.5
276.00061	1.3
284.08051	3.9
287.05527	3.4
288.05679	1.7
293.21115	100.0
302.14069	3.3
316.21219	2.5
344.73871	1.4
414.23099	32.4
414.28391	2.6
552.43079	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44973	0.5
51.70536	0.5
54.50118	0.5
55.01867	2.1
61.02935	0.9
69.03438	3.5
69.58188	0.5
71.40632	0.6
73.02920	1.1
74.73055	0.6
79.05488	0.6
81.03430	1.4
82.06590	0.8
85.02917	4.8
87.04479	0.6
91.05482	1.4
93.07041	1.7
94.06615	0.5
97.02901	1.6
99.04444	1.0
101.01376	0.5
103.05465	2.4
104.79734	0.5
107.04916	3.3
108.52058	0.5
110.45964	0.6
117.07048	0.8
119.04957	1.1
121.06512	10.4
122.06051	1.6
123.04415	0.6
124.07638	0.6
124.11256	2.3
127.03909	0.9
129.71736	0.6
131.04927	6.7
134.09657	1.3
136.07590	1.1
136.11177	0.6
145.06467	1.5
146.09662	1.0
147.04395	3.7
148.11238	1.3
149.05986	23.3
150.09146	15.0
150.10297	1.0
150.12770	3.8
151.09918	9.1
152.10718	2.2
160.11218	1.4
161.12007	6.5
162.09187	1.1
162.12764	4.1
163.09930	5.5
164.10721	20.0
174.09183	1.3
174.12732	0.6
175.03955	1.2
176.10718	1.6
176.14371	2.5
177.11543	1.3
178.12323	1.7
179.13098	4.8
186.09203	1.0
186.12856	0.9
188.10732	1.9
189.11526	1.8
190.12323	2.4
193.04886	0.6
202.12309	2.1
204.13858	23.9
206.11781	13.4
208.13310	1.3
214.12335	1.3
215.12985	0.7
216.13870	0.8
220.13312	10.7
222.14893	42.6
232.13351	4.1
251.13057	1.8
252.13904	0.7
255.12544	4.3
256.13217	0.6
258.14905	1.5
266.15289	0.6
274.14420	0.5
278.11807	1.2
279.12604	1.8
280.13388	1.7
281.14200	2.4
282.14966	0.9
292.13354	1.5
294.14810	1.4
306.11612	1.0
306.14963	3.6
307.12332	0.9
307.15732	2.5
308.16507	5.6
309.17166	1.5
322.17987	3.9
324.16122	0.9
326.17468	9.7
332.16583	0.7
334.18207	0.9
350.17496	12.1
352.19110	22.1
352.23398	1.2
368.18591	2.6
370.20126	16.8
370.24814	0.9
378.16986	4.3
396.18005	6.9
414.19217	11.4
488.22705	1.2
514.24402	3.2
532.25421	27.4
540.22510	1.0
558.23370	10.2
576.24438	100.0
577.24786	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.7
55.01860	2.4
57.03423	0.8
61.02925	0.8
61.74768	0.5
69.03430	2.9
70.06597	1.1
70.85172	1.5
73.02914	0.9
81.03434	1.5
82.06589	0.6
83.99187	0.5
84.08147	0.7
85.02900	4.4
86.47790	0.5
87.04489	0.9
91.05459	1.4
93.07042	1.5
95.04967	0.9
97.02888	1.8
103.05475	2.3
103.12405	0.5
105.07042	0.9
107.04935	2.9
109.02930	0.7
110.09692	0.6
117.07034	0.5
119.04958	0.8
121.06509	7.1
122.06038	1.6
124.11227	5.8
127.03963	1.0
131.04932	5.5
134.09656	1.3
136.07603	1.1
136.11232	0.8
145.06461	1.3
146.09677	0.9
147.04428	4.8
148.07661	0.6
148.11211	0.6
149.05991	18.7
149.07233	0.9
150.07959	0.9
150.09146	12.2
150.12814	2.7
151.09947	7.8
152.10712	1.5
153.01785	0.6
160.11209	1.0
161.11998	5.5
162.09184	1.2
162.12811	2.3
163.09946	5.1
164.10718	20.0
174.09212	0.8
175.03893	1.0
176.10762	1.8
176.14415	1.9
177.11488	1.2
178.12321	1.3
179.13034	4.1
186.09206	1.0
187.10049	0.7
188.10767	2.3
189.11536	1.8
190.12198	2.6
202.12204	2.7
204.13855	16.6
206.11781	12.3
208.13354	1.6
214.12299	1.1
220.13356	9.1
222.14897	32.5
232.13358	4.8
239.09512	0.6
250.12473	0.6
251.13078	1.2
254.11800	1.9
255.12515	3.2
256.13297	0.7
278.11804	1.2
279.12570	1.4
280.13394	1.4
281.14218	2.0
282.14938	1.0
292.13388	0.9
294.14929	1.0
302.14011	1.0
306.14908	2.0
307.12228	0.8
307.15561	1.1
308.16516	2.9
309.17322	1.7
322.17993	2.6
324.15970	0.9
326.17517	7.9
334.17993	1.2
350.17545	9.1
352.19064	15.7
368.18643	3.9
370.20105	11.6
378.17102	3.2
396.18039	4.2
414.19193	3.5
473.34830	0.5
488.23047	0.9
514.24359	2.0
532.25513	15.8
558.23468	7.0
576.24438	100.0
577.24530	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3944
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.5
55.01862	9.5
55.05511	43.8
57.03448	16.0
57.07080	15.5
65.03934	3.5
67.05163	5.4
67.05506	95.0
69.03429	4.4
69.07068	42.9
70.66160	3.0
71.04977	13.8
71.08611	8.1
71.61900	4.7
77.03935	4.7
79.05497	71.7
81.03418	28.6
81.07058	100.0
83.04964	15.7
83.08624	36.8
85.02885	7.5
85.06532	6.4
88.15290	3.0
91.04954	5.9
91.05481	74.9
93.07050	64.6
95.04957	24.7
95.08031	6.0
95.08610	82.1
97.02876	3.7
97.06512	11.2
97.10172	26.8
99.04388	3.3
99.08068	5.9
105.06379	4.1
105.07033	55.1
107.04951	15.2
107.08587	41.7
109.06523	12.8
109.10143	30.8
111.08061	9.7
115.05400	4.3
117.07029	21.1
119.08575	45.8
121.06504	13.2
121.10151	36.3
123.08079	6.3
123.11699	10.4
125.09621	12.2
128.06215	5.4
129.07013	26.1
129.07837	5.2
130.07777	4.2
131.04866	3.7
131.08574	40.5
133.06493	8.0
133.10147	38.8
135.08038	12.1
135.11691	12.2
137.09598	5.2
141.06976	6.3
142.07744	3.9
143.08516	18.8
145.10114	24.6
147.08015	5.5
147.11679	20.6
147.78548	3.8
149.09583	12.8
149.13281	6.1
151.11168	13.2
155.08571	10.1
157.10109	23.7
159.08052	3.7
159.11653	20.4
161.09648	8.6
161.13167	6.4
163.11189	9.0
165.12723	4.8
167.08527	5.9
169.10124	15.0
171.11688	15.3
173.09590	5.1
173.13240	11.5
175.11203	10.0
175.14700	3.4
177.12714	5.2
181.10074	6.4
183.11662	6.0
185.13264	11.1
187.14778	6.0
189.11206	8.9
189.12743	5.1
193.10094	4.3
193.12242	13.5
195.11694	4.8
197.13316	7.3
207.13638	3.6
209.13275	5.1
211.13197	18.5
211.14952	3.9
219.11737	3.6
221.13342	5.1
223.13184	5.1
225.16380	3.8
227.12802	12.2
237.16368	4.3
245.18982	5.1
253.14249	6.9
263.20105	4.0
267.15948	17.8
273.18741	16.8
273.21326	3.3
275.20163	6.7
287.20047	3.7
291.19589	23.0
297.22189	3.6
299.23682	7.4
317.67557	3.5
347.21893	4.9
355.09225	3.6
365.23114	7.3
415.29858	4.4
421.26007	4.9
433.31030	11.5
451.31818	12.1
517.35101	14.8
525.35736	29.4
543.36670	35.6
557.38885	15.5
575.37225	25.8
575.49463	37.6
578.56842	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	575.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53746	2.4
53.03944	6.4
55.01867	15.8
55.05257	3.2
55.05511	50.2
57.03432	11.2
57.07066	8.6
59.04987	6.0
60.64590	2.4
65.03918	4.7
67.05165	4.7
67.05505	81.3
69.03440	14.7
69.07072	49.6
71.04981	8.0
71.62311	2.9
71.62695	3.2
79.05490	69.1
81.03419	41.2
81.07054	94.5
82.04660	2.6
83.04977	15.0
83.08620	36.9
85.02914	18.3
85.06534	5.2
91.05479	66.3
93.06464	3.0
93.07044	56.0
95.04971	32.0
95.08604	42.4
95.12424	2.8
97.02895	14.7
97.06548	17.3
97.10166	33.5
103.05479	3.3
105.07034	45.5
107.04945	20.8
107.08589	33.4
107.73459	2.5
109.06490	14.0
109.10156	26.2
111.04416	5.4
111.08078	7.8
116.06232	3.8
117.07034	20.2
119.04897	2.8
119.08591	44.1
121.06513	10.5
121.10153	25.2
123.08084	14.6
123.11727	13.4
125.09627	21.9
129.07050	15.1
131.08554	27.2
133.06483	7.0
133.10132	21.5
135.08046	11.4
135.11694	11.5
137.09607	6.9
141.06941	3.9
142.07710	3.7
143.08553	10.7
145.06483	3.8
145.10115	22.7
147.04375	7.9
147.08080	12.5
147.11696	21.9
149.09579	9.2
149.13281	6.0
153.09076	4.1
153.12779	3.1
155.08568	4.1
157.10149	16.9
159.07959	2.7
159.11678	9.4
161.09645	7.3
161.13242	5.3
163.11188	9.1
165.09161	5.0
165.12766	5.9
169.10150	3.6
171.11691	6.9
173.13268	4.9
175.11162	12.7
181.10085	3.3
185.09663	3.1
185.13226	4.2
187.14699	2.9
189.09447	2.8
189.11259	17.0
190.02069	2.6
193.12242	31.6
205.12146	3.9
209.11586	4.8
211.13304	37.1
219.13847	7.1
223.13318	15.9
227.12695	15.1
249.14868	4.9
267.15942	29.5
273.18500	31.6
275.20056	14.4
283.15283	4.5
285.16965	3.5
289.17975	2.7
291.19534	100.0
313.21448	3.5
315.19647	3.0
331.22800	3.9
347.22208	4.0
349.23291	4.5
365.23166	8.2
373.86230	2.6
432.19751	2.5
526.27429	2.8
539.33783	4.6
540.47809	2.7
555.97406	3.2
557.34625	36.7
575.35803	79.3
575.49451	16.1
576.35974	3.6
585.53113	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	574.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.33837	0.3
55.01872	0.4
55.05502	0.5
57.03431	0.4
67.05513	0.7
69.03424	2.7
70.06590	1.8
71.04993	5.4
79.05489	1.6
79.65611	0.3
81.03425	4.6
81.07064	1.0
85.02901	1.4
87.05655	0.3
91.05472	3.1
93.07037	1.9
95.04964	1.3
95.08602	1.7
97.02892	0.8
98.20705	0.7
99.04455	16.5
103.05465	0.7
105.07027	32.1
107.04945	0.6
107.08611	1.0
109.02875	1.3
109.06523	0.6
109.10142	0.8
112.07606	0.9
115.05442	0.5
117.07035	0.7
119.04975	0.6
119.08582	2.4
121.06518	2.3
123.08069	3.1
123.11713	0.5
124.11219	1.6
127.03896	1.1
128.06290	0.8
131.04951	0.6
131.08572	0.8
132.04457	7.5
132.05489	0.4
133.06494	3.6
133.10130	22.0
134.10461	0.3
135.11702	0.8
137.05983	0.5
140.07076	0.7
143.08533	1.6
145.06456	0.4
145.10136	2.4
146.07297	1.4
147.04341	0.5
147.08087	0.5
151.07561	1.3
151.11159	1.0
153.01781	0.4
160.03868	0.5
161.09616	37.3
163.11174	8.1
178.04991	66.5
179.05437	0.5
179.10667	19.6
189.09103	5.2
193.29889	0.3
206.04480	100.0
207.04787	0.5
207.10147	7.7
225.11099	0.8
228.10191	1.4
229.53473	0.3
294.11584	0.4
311.13861	0.9
312.14102	1.0
351.14423	5.4
368.09772	0.5
369.15482	4.9
563.99774	0.4
574.19092	3.2
574.29822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95807	0.3
53.03946	0.7
55.00378	0.3
55.01884	0.4
55.05516	0.7
56.96560	1.2
67.05508	0.4
69.03432	1.9
69.07076	0.3
70.06570	0.5
71.04980	1.5
71.61611	0.4
73.02921	0.4
75.94154	0.3
79.05499	1.4
81.03413	2.4
81.07063	1.5
83.04963	0.4
83.93787	0.3
85.02902	1.3
91.05486	2.7
93.07051	1.3
95.04948	0.6
95.08619	0.7
97.02900	1.5
97.06541	0.4
98.09711	0.5
99.04450	3.1
103.05491	0.5
105.07030	14.7
106.07379	0.3
107.04961	0.5
107.08608	1.5
109.02849	1.9
109.06527	0.9
109.10188	0.4
110.09682	0.6
117.07028	0.5
119.04944	0.4
119.08577	2.1
121.06512	0.7
121.10162	0.6
122.31614	0.3
123.08070	1.0
124.11222	4.5
125.11576	0.5
127.03928	1.9
128.06206	0.4
131.04967	0.3
131.08569	1.1
132.04442	6.2
133.06487	1.7
133.10126	10.8
135.11690	0.7
137.05969	0.9
141.09135	0.4
143.08545	1.4
145.05037	0.3
145.10095	2.0
147.04395	1.2
147.08005	0.8
149.06050	0.4
149.09610	0.8
151.07550	1.4
153.01790	1.5
160.03925	0.7
161.08266	0.6
161.09613	11.7
162.09927	0.4
163.11208	2.9
167.07056	0.4
169.08566	0.3
171.07961	0.4
178.04990	57.0
179.05359	0.4
179.10681	5.0
189.09123	4.0
190.12007	0.3
201.12749	0.4
205.05397	0.3
206.04478	100.0
207.04793	0.7
207.10168	3.5
219.13802	0.6
223.06340	0.7
225.11194	0.7
265.07281	0.4
283.08670	0.4
287.05447	0.8
305.13705	0.4
323.14758	0.9
333.13348	0.9
351.14450	2.2
362.26660	0.3
366.78879	0.3
369.15042	0.6
395.17053	0.4
421.16559	0.3
514.14618	1.4
530.19983	1.2
531.52844	0.4
556.18146	0.5
574.18372	6.5
574.30176	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62671	0.2
53.03949	0.6
55.01878	0.8
55.05518	0.3
56.96564	0.2
57.03448	0.3
57.09570	0.2
62.71632	0.2
65.03947	0.4
67.05503	1.1
69.03433	2.0
69.07067	0.6
71.04989	0.9
71.61710	0.3
72.04529	0.8
73.02935	0.9
79.05505	1.9
81.03423	2.1
81.07068	0.7
82.06615	0.4
83.04974	0.4
85.02910	1.3
85.06549	0.5
88.30996	0.3
90.05555	1.9
91.05482	3.3
93.07043	1.2
95.04981	1.1
95.08598	0.7
96.08157	0.4
97.02324	0.4
97.02886	1.7
98.02424	0.6
99.04453	2.4
103.05470	0.5
105.07033	11.8
107.04945	0.5
107.08604	2.6
109.02882	2.1
109.06512	1.0
109.10152	0.6
111.08090	0.3
113.05994	0.5
116.03478	0.5
117.07078	0.4
119.04963	0.4
119.08595	1.3
121.06506	0.6
121.10179	0.4
123.08044	0.7
124.07585	1.2
124.11227	8.5
127.03911	2.0
128.06250	0.7
129.06987	0.3
130.07707	0.3
131.08557	0.7
131.44620	0.3
132.03456	0.4
132.04449	7.1
132.06570	0.3
133.06523	1.7
133.10129	6.1
135.11699	0.9
137.05966	0.5
137.09659	0.3
142.08632	0.8
143.08551	1.6
145.04990	0.6
145.06512	0.4
145.10107	1.0
146.07231	0.7
147.04372	0.6
147.08069	0.7
151.07550	1.1
151.11174	0.3
153.01819	0.4
155.13562	0.2
159.07942	0.3
160.03914	0.4
161.04716	0.3
161.09619	13.7
163.11180	1.7
176.73154	0.3
178.04994	60.9
179.05327	0.4
179.10645	1.5
184.09669	1.4
189.09105	4.0
195.53920	0.3
199.06021	0.4
202.10728	3.4
206.04483	100.0
207.04843	0.8
207.10144	1.4
220.11766	0.7
230.10187	0.4
234.09712	1.0
247.82681	0.3
248.39763	0.3
262.12830	0.5
287.05566	0.3
287.12665	0.5
289.05884	0.3
305.13773	0.6
310.12955	0.4
315.12238	0.4
323.14847	0.5
328.13931	2.9
333.13382	1.3
346.14874	0.5
351.10446	0.3
351.14426	2.8
364.15970	1.5
412.95129	0.3
444.25940	1.2
448.27679	0.2
556.18097	2.1
556.31281	1.6
574.21283	0.6
574.29523	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	572.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	2.4
62.35966	1.7
63.26344	1.8
67.05496	4.0
69.07022	2.0
69.55684	4.1
69.56106	9.4
70.60638	1.7
78.11508	1.7
79.05490	5.8
81.07028	3.3
83.08629	2.3
84.98793	2.3
87.74283	1.8
87.98699	1.6
89.06034	45.8
91.05460	6.5
93.07024	3.0
95.04932	1.9
98.97556	1.7
103.05437	9.2
105.07034	100.0
107.08591	3.2
109.10128	2.5
113.09634	1.6
119.08620	2.8
124.11222	3.0
129.06958	2.1
131.08536	2.2
133.08611	47.4
138.09137	3.6
155.95622	1.7
171.08058	2.0
190.82330	1.6
199.25119	1.6
207.11667	5.5
220.08900	1.8
223.11066	2.2
249.12817	15.4
264.02985	2.0
276.20319	1.9
310.14966	1.6
327.17374	21.1
329.17307	6.8
405.22128	51.6
433.23715	40.5
537.30029	41.0
545.30841	3.3
572.20667	2.0
572.35168	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	572.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.9
55.01848	1.1
55.05486	0.6
56.05011	0.5
57.03423	0.9
60.75946	0.4
61.02892	1.5
66.67326	0.5
69.03435	7.1
69.07072	0.5
70.06563	1.8
71.04971	0.7
71.61507	0.5
72.08147	0.9
73.02881	0.9
79.05479	0.7
81.03428	2.6
81.07032	0.6
82.06553	1.8
83.01290	0.4
84.08122	0.9
85.02904	7.6
87.04456	1.0
88.60116	0.5
90.55820	0.5
91.88331	0.5
96.08095	1.1
97.02909	3.6
97.08906	1.3
98.09697	23.9
99.04425	0.8
107.08554	0.5
109.02859	1.4
110.08999	0.6
110.09690	8.1
115.05492	0.5
123.64592	0.4
124.10356	0.9
124.11234	15.7
125.09608	1.7
125.11964	1.5
127.03900	2.0
130.06602	0.5
131.08548	1.8
133.06509	0.6
142.12236	0.8
145.04851	0.7
145.10115	0.6
147.04398	1.1
147.08070	0.7
153.01837	19.6
161.05992	0.8
163.04021	0.5
170.79926	0.5
179.03403	0.7
181.06371	0.6
196.07565	0.8
199.07529	1.1
214.08591	2.2
216.10239	1.3
223.13338	1.5
228.10197	3.4
229.10985	9.0
230.11783	1.5
239.07205	0.9
242.11774	2.0
243.12555	1.9
244.13405	0.6
255.08885	0.6
256.13370	0.9
257.04462	1.8
257.08124	0.7
258.14868	5.5
267.06509	1.3
284.12866	1.4
286.16614	1.3
287.05502	7.6
295.06097	2.0
297.04028	0.6
298.04718	0.8
313.07068	50.2
323.05603	0.8
336.06033	0.6
339.08688	0.5
351.08652	2.8
362.10278	0.9
363.10989	1.4
364.11893	1.5
381.12094	3.8
392.14795	1.8
393.13336	2.0
410.16003	100.0
411.16132	0.7
449.10837	1.9
475.12296	0.7
548.18597	0.5
572.21283	58.3
573.22046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
54.03461	0.7
55.05516	3.3
57.03434	1.0
59.04992	0.7
61.02919	1.0
64.25072	0.6
67.01875	0.9
69.03438	9.8
70.02930	3.0
70.06595	2.1
71.04987	0.7
73.02898	1.1
79.05502	1.5
81.03415	3.6
81.07057	1.5
82.06586	17.5
82.46146	0.7
83.04983	0.8
83.07352	1.0
85.02902	10.9
85.39251	0.6
96.08134	4.2
97.02898	5.8
97.08910	2.9
98.09693	32.8
98.20752	0.8
99.04477	3.6
103.03886	1.0
109.02870	2.3
110.09682	32.4
115.78139	0.6
124.11232	83.0
125.09624	2.3
125.12024	14.4
127.03929	3.1
135.04434	1.5
137.02371	0.6
142.12267	13.4
153.01826	12.2
154.12271	0.8
169.97812	0.7
171.06674	0.8
179.03391	2.9
228.10310	0.9
229.10893	0.7
242.77426	0.8
257.04507	3.1
268.15482	2.6
271.06033	9.9
285.07556	1.9
286.04785	2.1
286.16495	17.7
287.05505	68.5
288.05820	0.9
295.06058	0.7
298.04965	0.9
313.07062	27.5
329.06564	1.7
334.00351	0.7
378.55304	0.7
410.16016	30.6
475.12262	3.4
572.21289	100.0
573.21674	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	572.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29962	0.4
50.50645	0.4
53.03939	0.8
54.03474	0.7
55.05513	4.5
57.03432	1.2
61.02917	0.5
67.05499	0.7
68.05032	0.4
69.03429	6.2
69.75132	1.1
69.75542	1.4
70.06580	1.4
70.06946	0.4
71.04998	0.6
73.02927	0.6
79.05476	0.8
81.03425	3.4
81.07053	1.3
82.06586	14.9
83.05006	0.9
83.07331	0.6
85.02909	7.4
87.04453	0.6
93.49060	0.4
96.08141	5.0
97.02894	5.8
97.08935	2.5
98.09698	21.9
99.04432	2.3
109.02876	1.2
109.08921	0.7
110.09689	27.1
122.09660	0.5
124.03950	0.8
124.11237	100.0
125.12031	11.8
126.12767	0.7
127.03927	2.5
135.04449	1.2
137.02379	0.5
142.12280	8.8
145.05009	0.6
147.04404	0.5
153.01836	9.1
184.13255	0.5
229.04922	0.8
241.05072	0.6
257.04471	1.3
268.15485	1.9
271.06042	6.8
285.07663	0.5
286.04727	2.0
286.16510	15.6
287.05515	65.5
313.07098	12.1
317.61700	0.4
329.06580	0.8
364.12128	0.8
410.16025	23.0
449.10703	1.9
475.12390	0.8
572.21283	64.7
573.21570	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.05514	2.5
57.03448	0.8
67.05492	0.6
68.99801	0.4
69.03423	3.8
70.06582	0.8
71.04981	0.6
71.61682	0.5
73.02889	0.3
74.79919	0.3
79.05487	1.1
81.03400	1.5
81.07056	0.7
82.06577	9.2
84.08077	0.4
85.02906	3.4
91.05495	0.4
96.08119	3.2
97.02898	2.9
97.08907	0.6
98.09694	15.4
99.04444	1.3
109.02872	1.0
110.09661	2.6
119.08615	0.3
124.11230	100.0
125.12015	0.7
127.03893	1.3
135.04401	0.8
138.09138	0.5
142.12273	6.1
153.01833	3.9
179.03418	0.5
257.08167	0.4
264.66202	0.3
268.15277	0.5
271.06015	4.8
286.04736	1.5
286.16483	7.1
287.05505	46.1
297.03864	0.8
299.05820	0.4
313.07077	5.5
329.06708	0.6
345.03329	0.8
353.45566	0.4
410.16013	4.9
449.10852	2.4
475.12265	0.9
572.21277	53.1
573.21368	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.4
54.69779	1.0
57.03401	1.4
66.89882	1.1
69.03427	1.4
70.06577	1.2
70.69607	2.3
79.05469	1.4
85.02920	5.7
91.05470	4.8
93.07044	2.4
97.02880	2.6
103.05441	1.7
105.07044	1.3
107.04969	5.2
111.50327	1.2
115.05420	1.4
115.40766	0.9
121.06491	4.5
121.89242	1.1
123.04401	1.1
124.05230	1.1
124.11258	8.9
127.03924	1.8
128.06250	2.0
129.07016	10.8
131.04916	3.7
131.08580	8.3
135.08032	1.3
137.05977	4.3
137.16251	1.1
141.06996	5.3
145.04988	2.5
145.06358	2.6
146.07211	1.2
147.04381	1.2
149.05969	1.9
151.07556	5.3
153.05435	2.4
157.06487	10.3
158.07231	2.8
159.08052	8.8
161.06041	5.9
161.09573	3.3
162.07588	1.5
163.07506	3.6
165.09087	2.0
166.06265	2.4
167.07047	17.2
169.06454	3.0
170.07277	1.6
171.07944	1.3
174.06749	13.7
175.07486	5.6
177.09067	2.8
179.08540	1.0
180.08701	1.7
181.08604	21.0
186.06752	1.3
189.09117	37.2
191.07144	1.5
191.10654	1.9
201.09111	6.8
207.10199	3.5
219.10167	100.0
225.09125	2.6
239.07034	1.3
253.08597	3.0
257.11652	4.3
258.22040	1.3
262.23538	1.0
283.09769	2.2
283.13077	1.7
285.11072	5.6
299.09143	1.7
302.11441	2.0
315.12262	2.9
317.13864	8.3
329.13919	1.7
331.15359	3.2
343.15369	13.2
361.16449	66.4
362.16824	1.4
570.32220	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	570.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.1
56.96560	0.2
69.03407	0.4
70.60822	0.2
81.03388	0.4
84.78342	0.1
85.02888	0.3
91.05457	0.1
94.00098	0.1
97.02894	0.2
98.97564	0.2
101.35158	0.1
103.05428	0.1
109.02853	0.2
115.05432	0.3
116.98598	0.1
124.11193	0.2
127.03886	0.2
128.06165	0.1
129.07002	0.3
147.81229	0.1
156.08101	0.2
159.04399	0.3
168.70116	0.1
200.07031	0.9
201.07758	0.2
202.08643	1.2
216.13782	0.1
228.06499	0.5
231.02930	0.2
246.07613	100.0
247.07930	0.8
259.02335	0.2
277.03482	0.7
288.08630	0.3
302.81497	0.1
303.01266	0.4
320.11673	0.1
334.93460	0.1
339.07523	0.1
348.10675	0.2
358.08212	0.2
390.11267	0.1
408.12894	16.7
409.13370	0.2
437.39828	0.1
570.17944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01863	1.4
55.05511	10.2
55.05754	1.9
57.07065	3.1
59.04996	2.2
65.03928	1.5
67.05506	21.6
69.03435	8.1
69.07069	13.9
70.56786	4.1
71.04988	3.4
75.42940	1.2
79.05497	9.4
81.03413	5.4
81.07057	29.0
83.04982	8.8
83.08614	10.2
85.02935	2.3
85.06539	5.9
91.05489	8.0
91.93324	1.3
93.07050	16.7
95.04961	4.4
95.08035	2.5
95.08612	32.4
97.02881	2.0
97.06527	3.0
97.10176	2.8
99.04476	1.6
99.08087	3.4
105.07032	11.4
107.04944	2.9
107.08598	22.4
109.02861	3.6
109.06506	9.9
109.10160	94.9
111.08100	3.1
113.09631	2.5
117.07004	3.0
119.08574	42.9
121.10143	12.5
123.08086	14.2
123.11709	7.6
127.03925	4.2
129.07048	2.3
131.08630	2.6
133.10138	22.2
135.08047	1.8
135.11700	100.0
137.09633	13.7
139.11177	2.0
145.06453	2.2
145.10072	1.6
147.04414	1.8
147.11665	1.5
149.13261	8.3
151.07568	1.5
151.11195	10.7
151.14824	10.4
153.12720	2.2
161.13260	3.9
165.12686	1.4
165.16374	2.4
175.14832	45.2
177.12781	1.6
179.14264	4.3
189.05565	1.2
193.15884	62.5
211.16937	48.3
211.18951	2.3
273.14972	1.5
301.14359	2.4
305.17477	1.4
323.18622	6.4
442.66913	1.3
448.75949	1.5
507.52170	1.4
551.29846	1.8
559.89331	1.3
569.31171	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.129
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24467	0.1
58.24405	0.1
65.03943	0.2
65.34389	0.1
66.01025	0.1
67.01542	0.1
67.01864	0.7
67.05477	0.1
68.99790	0.5
69.03396	0.2
69.42833	1.0
76.89854	0.1
78.07571	0.1
79.05491	0.2
81.03414	0.4
81.07040	0.2
85.02902	0.2
89.03931	0.2
95.04948	0.3
95.08598	0.2
97.02878	0.3
99.04459	0.1
107.04935	0.2
107.08602	0.1
109.02921	0.3
117.03369	0.3
119.08575	0.2
121.02871	6.2
121.10136	0.1
127.03902	0.4
131.04895	0.2
135.04414	2.0
137.02370	0.6
137.05968	0.2
139.03891	0.5
147.04427	0.2
153.01830	5.4
161.02377	0.6
163.07655	0.1
167.07030	0.2
171.02892	0.4
179.03438	0.3
203.03362	0.2
231.06526	0.2
241.05042	0.6
265.07019	0.9
269.04471	0.4
283.08060	0.2
287.05493	100.0
288.05777	1.2
474.71646	0.1
569.12537	0.6
569.28064	0.1
593.71466	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	568.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.5
55.05508	8.6
55.74294	2.2
57.07076	11.0
62.36615	2.1
67.05510	18.8
69.07093	11.5
70.06598	6.9
71.08633	3.3
79.05503	18.3
80.06273	2.6
81.07068	28.8
83.04962	2.7
83.08643	3.3
87.46773	2.2
88.07635	8.8
91.05489	39.5
93.07055	42.1
95.04977	33.0
95.08606	24.6
98.20724	9.7
102.09231	3.0
103.05469	4.1
105.07040	73.5
106.07844	2.7
107.08609	37.9
109.10183	18.5
109.28277	2.4
115.05466	7.4
117.07001	26.4
119.08589	100.0
120.09425	6.0
121.06532	2.8
121.10154	26.4
123.08083	16.0
123.11723	5.6
128.06244	7.2
129.07048	16.2
130.07799	7.5
130.86525	2.3
131.08580	47.9
132.09335	9.1
133.10144	50.5
134.10947	4.8
135.08060	5.8
135.11707	15.4
137.09644	6.4
138.10411	6.2
141.06996	6.4
142.07785	18.8
143.08578	39.3
144.09383	13.6
145.10141	80.5
146.10904	6.9
147.08002	3.6
147.11700	21.3
149.09665	4.5
149.13269	3.4
155.08572	13.1
156.09369	14.3
157.10143	39.7
158.10913	8.3
159.11707	35.6
160.12498	3.9
161.09651	6.3
161.13293	9.3
163.11182	2.5
165.07008	4.2
166.00162	2.6
167.08646	9.0
168.09311	7.7
169.10135	20.0
170.10947	8.8
171.11716	27.3
172.12482	3.8
173.13255	19.8
173.18149	2.6
175.14864	18.1
177.12758	7.2
179.08569	5.9
180.09346	5.4
181.10168	14.2
182.10927	8.1
183.11725	27.2
184.12425	3.5
185.13284	21.1
186.14105	7.5
187.14825	12.2
189.12764	4.5
191.14359	6.7
192.09373	3.9
193.10152	8.0
193.15930	2.3
194.10922	4.8
195.11707	12.4
196.12527	8.5
197.13257	23.7
198.14101	3.2
199.14827	8.9
201.12804	4.1
201.16420	6.7
205.15771	4.3
206.10776	4.0
207.11736	8.7
208.12508	4.3
209.13249	19.0
210.14171	3.4
211.14792	14.1
217.15984	3.3
219.17490	3.7
221.13361	7.2
222.13988	2.8
223.14847	8.9
224.15565	4.7
225.16396	7.1
226.17215	2.8
227.17979	4.0
230.16582	2.5
233.13324	4.0
234.14163	2.8
235.14859	3.5
237.16359	6.3
239.17995	5.8
243.17514	2.6
249.16446	5.1
251.18016	5.0
257.18976	3.6
263.17923	3.7
265.19635	5.0
271.20761	2.8
275.18063	3.9
277.19412	2.8
283.20654	4.4
283.26392	5.2
284.29547	10.7
311.29575	14.6
312.32733	5.4
321.22113	2.7
323.23776	6.9
338.26038	36.7
430.32437	14.3
458.35358	3.3
476.36475	15.7
568.42944	27.9
568.56598	38.1
593.38690	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	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.05513	10.0
57.07067	7.0
61.07090	1.7
65.03914	2.6
65.36330	1.4
67.05506	16.4
68.46232	1.5
69.07070	13.0
71.05874	4.1
79.05501	21.4
80.06280	3.5
81.07066	31.1
83.04984	3.5
83.08611	3.5
85.06528	3.6
91.05489	44.9
92.06267	3.9
93.07050	49.8
94.07846	1.9
95.04972	40.5
95.08619	24.8
97.06536	3.0
103.05453	2.4
105.07036	80.9
106.07852	3.2
107.08604	43.2
109.06512	5.6
109.10173	18.1
111.08108	1.6
115.05456	4.7
116.06245	2.9
117.07025	25.9
118.00743	1.6
118.07806	2.4
119.08586	100.0
120.09394	8.4
121.10152	29.4
121.20918	1.6
123.08076	14.7
123.11710	6.6
125.09622	2.7
128.06209	12.1
129.07004	16.0
130.07809	10.2
131.08578	50.9
132.09380	9.8
133.10141	54.8
134.10944	8.2
135.08047	5.2
135.11696	17.7
137.09615	4.6
138.10406	9.2
141.06984	6.9
142.07759	15.2
143.08565	43.8
144.09363	12.0
145.10129	85.8
146.10878	6.3
147.08041	2.9
147.11687	24.7
149.09625	4.9
149.13298	3.7
151.11209	3.0
153.07030	3.8
154.07785	3.2
155.08571	16.3
156.09351	16.4
157.10143	44.6
158.10925	11.8
159.11697	38.5
160.12408	2.9
161.09634	7.0
161.13283	8.0
163.11183	3.7
165.06964	4.0
166.07832	3.4
167.08568	9.9
168.09367	4.8
169.10133	26.2
170.10878	8.7
171.11696	35.4
172.12541	9.1
173.13266	26.6
175.11218	2.9
175.14822	23.6
177.12770	4.7
179.08566	7.4
180.09322	3.8
181.10144	15.6
182.10948	7.9
183.11685	26.8
184.12468	6.5
185.13264	24.4
186.14102	9.0
187.14845	14.7
188.15533	2.3
191.14304	10.6
192.15163	3.3
193.10170	7.0
194.10899	9.3
195.11716	19.7
196.12489	6.8
197.13252	28.0
198.14087	6.1
199.14848	9.2
201.12730	5.4
201.16377	6.0
202.49327	1.6
203.14305	2.7
206.10905	2.8
207.11671	8.1
208.12526	3.9
209.13283	25.8
210.14011	2.6
211.14850	17.6
212.15428	2.2
213.16415	7.2
215.14262	2.2
217.10344	1.9
217.15878	5.7
219.11752	1.9
219.17500	1.8
220.12482	2.7
221.13260	9.2
222.13966	2.0
223.14809	12.3
224.15665	4.6
225.16368	10.4
226.17122	2.8
227.17950	2.1
231.11464	1.9
231.17390	2.4
232.12473	1.8
233.13219	4.8
235.14807	6.9
237.16388	8.2
239.18022	5.7
241.19481	4.1
245.13242	2.1
247.14812	2.1
249.16422	6.8
251.17981	4.1
253.19551	3.0
255.17384	2.3
257.19003	2.7
259.20563	4.8
261.16428	3.3
263.18008	6.0
265.19632	3.4
275.17773	2.8
277.19473	4.6
279.21042	3.3
283.20541	3.1
285.22266	2.5
296.21475	2.0
297.21991	4.4
305.22626	3.9
320.25308	1.7
323.23672	7.2
324.24527	1.7
337.25345	3.0
338.26053	49.0
349.25043	3.0
420.30237	3.2
430.32343	16.8
476.36795	15.4
568.42792	23.5
568.55920	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
56.19520	2.6
69.03441	4.3
69.64606	13.4
69.65022	6.9
69.96178	2.8
76.75674	2.8
79.05506	6.6
81.03413	8.2
82.06652	2.6
82.95879	3.2
85.02906	19.7
94.04223	3.8
97.02895	5.8
98.21573	3.2
103.05442	3.1
107.04955	5.6
109.02861	3.8
111.04460	2.7
115.05485	7.4
117.07008	13.9
122.03660	3.8
123.04404	6.7
124.11231	100.0
127.03902	4.3
129.07037	6.2
131.04926	7.4
131.08589	3.6
137.05972	88.9
138.05502	6.3
143.04955	8.7
144.05727	3.4
145.06483	33.0
147.04399	6.7
152.04715	3.5
155.06007	5.3
156.05687	6.3
157.06485	8.5
160.05148	16.3
161.05917	4.2
163.07541	4.5
167.07040	34.8
172.05112	5.2
173.05980	41.4
175.07542	93.7
180.08638	7.4
187.07541	40.4
189.09067	6.9
190.06241	21.8
202.06221	4.4
203.06972	3.9
205.08612	87.6
217.08566	32.0
218.07286	3.3
219.10304	3.7
233.09700	4.2
235.09659	39.6
241.08580	3.9
247.09702	7.4
261.09116	5.0
265.10721	30.9
277.05615	3.1
277.08499	6.3
285.07629	6.6
300.09869	3.4
309.11130	4.0
321.11307	7.6
341.14066	3.5
353.13770	9.6
371.14810	17.9
481.44879	3.0
568.25024	5.6
570.61310	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	567.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04388	2.4
53.03938	5.2
55.05512	17.1
57.07063	7.3
63.37001	2.0
65.03932	4.6
67.05156	2.8
67.05499	29.6
69.03428	3.9
69.07063	17.4
71.36826	4.4
79.05489	35.8
81.03400	2.6
81.07056	57.9
81.21885	2.4
83.08615	7.2
85.06561	2.2
91.05479	52.7
92.24751	1.9
93.07048	66.8
95.04976	11.0
95.08608	47.3
97.06530	3.4
103.05441	4.5
105.04503	3.3
105.07035	100.0
105.07745	4.9
107.08598	59.1
109.06548	2.9
109.10162	48.1
111.08083	4.0
115.05473	6.6
116.06207	2.6
117.07024	18.8
119.08582	93.6
121.10144	65.3
123.08053	6.0
123.11709	16.2
128.06242	11.3
129.06989	17.3
130.07770	5.8
131.08565	45.8
133.06419	2.0
133.10130	61.0
135.08092	3.7
135.11699	38.2
137.09627	7.6
139.11113	3.7
141.06989	6.6
142.07826	15.7
143.08575	39.6
144.09354	8.9
145.10118	71.3
147.08015	2.7
147.11708	28.7
149.09645	3.3
149.13228	6.7
151.11130	3.3
153.06966	5.1
154.07692	3.2
155.08537	17.8
156.09367	15.5
157.10144	44.7
158.10866	6.4
159.11688	33.7
161.09648	4.2
161.13252	17.7
163.11191	3.1
165.07018	6.9
167.08600	11.5
168.09335	4.9
169.10112	28.5
170.10898	6.4
171.11678	24.7
173.13263	28.7
175.14825	18.1
179.08612	8.1
180.09322	4.6
181.10022	13.2
182.10898	8.4
183.11684	24.7
184.12416	4.0
185.13228	12.7
187.14818	20.4
189.12642	3.0
189.16408	3.0
191.14317	5.4
192.09331	3.5
193.10178	14.2
194.10866	6.9
195.11694	21.3
196.12393	5.2
197.07677	2.4
197.13225	17.6
198.13940	2.8
199.14816	9.7
201.16396	7.9
203.14343	4.6
203.41101	2.8
205.10081	5.5
206.10843	2.9
207.11726	16.1
208.12456	4.6
209.13287	16.5
210.13930	2.7
211.14830	14.9
213.16344	6.2
218.10881	2.6
219.11786	4.2
220.00914	2.3
220.12369	4.1
221.13264	14.3
222.13882	2.9
223.14847	9.5
224.15671	3.6
225.16380	6.2
227.17836	3.4
231.11697	4.2
232.12428	2.9
233.13268	8.2
235.14774	7.7
235.16913	2.3
237.16356	8.2
239.17973	6.4
243.11644	2.8
244.12231	2.4
245.13162	3.8
246.13988	2.7
247.14874	5.6
249.16307	4.5
251.18056	3.7
253.19673	6.6
258.14069	2.6
261.16354	4.5
263.17892	2.8
265.19586	4.2
273.16190	2.9
275.17938	6.3
277.19388	3.0
289.19540	2.4
295.20648	2.8
301.19562	2.7
302.25449	2.4
303.20959	2.9
325.44568	2.1
337.25037	2.8
338.50192	2.2
343.23981	2.1
427.29834	4.3
452.13666	2.5
493.34866	4.9
549.40833	13.9
553.80096	2.4
559.79419	2.2
567.41809	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1501
Annotation	Gladiatoside C2
Peak:m/z	Relative Intensity
55.05506	0.2
63.03571	0.1
67.01852	0.5
67.05489	0.5
68.99787	0.4
69.03412	0.3
69.07050	0.2
70.29530	0.5
71.04967	0.2
79.05481	0.4
81.03406	0.5
81.07044	0.5
83.04973	0.2
83.08602	0.1
85.02905	0.3
89.03927	0.3
91.05474	1.2
93.07017	0.3
95.04987	0.2
95.08586	0.3
97.02861	0.2
97.06530	0.3
97.84454	0.1
105.07032	0.4
107.04947	0.2
107.08604	0.3
109.02887	0.3
109.06484	0.2
109.10149	0.5
111.04462	0.2
115.05434	0.1
116.87477	0.1
119.08596	0.2
121.10146	0.3
127.03920	0.4
129.01834	0.2
131.04871	0.1
131.08586	0.1
133.06503	0.2
133.10081	0.3
135.04411	2.0
135.11687	0.4
137.02353	0.6
137.05991	0.5
143.08583	0.1
153.01828	5.4
154.54231	0.1
155.08580	0.1
161.02351	0.6
161.05991	0.2
167.07051	0.2
171.02887	0.5
171.04294	0.1
177.05363	0.1
179.03368	0.3
181.04974	0.2
185.05872	0.1
191.14375	0.2
203.03442	0.1
213.05380	0.2
217.05168	0.1
241.04945	0.5
263.05457	0.2
263.09155	0.1
269.04303	0.3
271.05966	0.3
286.04861	0.2
287.05493	100.0
288.05771	1.4
301.07013	0.6
324.30649	0.1
507.32440	0.2
567.15167	1.8
567.31476	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03670	1.4
71.25348	3.3
87.46756	1.3
98.97599	7.5
116.98595	4.3
134.99675	2.6
174.97659	1.5
214.95659	3.0
216.98906	3.2
232.96640	3.5
233.96866	2.3
234.96404	2.4
235.00018	5.7
240.98927	5.6
250.97787	1.6
252.97481	3.1
256.96710	6.6
257.96616	2.5
258.96609	5.9
259.00006	37.8
259.02698	2.5
260.00082	5.3
261.00052	3.7
261.02957	1.5
264.98944	2.9
274.97766	17.4
275.97995	4.8
276.97586	13.1
277.01028	26.3
279.00882	2.1
282.99988	94.7
284.00140	6.4
284.99789	7.9
292.98676	3.7
298.97760	20.1
299.97879	5.3
300.97586	16.9
301.00998	100.0
301.98105	2.0
302.01028	8.1
303.00781	8.6
314.95966	1.9
316.95438	2.3
316.98834	26.0
317.98993	8.5
318.98657	18.6
319.02322	3.8
324.02582	2.3
358.96432	2.2
359.00302	2.3
383.00244	2.1
398.94754	3.2
401.01419	11.6
403.00519	2.5
407.00409	4.0
416.99011	2.5
418.98618	4.6
425.01181	27.5
435.96750	1.9
440.98856	4.9
441.98953	3.3
443.02832	47.0
444.02451	5.4
445.01965	5.2
458.99591	5.6
460.00150	3.1
460.89365	1.4
460.99884	16.6
466.03943	1.9
475.02060	1.6
484.01077	1.5
500.97903	4.5
518.61261	1.6
542.98883	4.0
549.01184	28.9
550.01044	2.1
567.02509	44.6
568.01776	2.1
585.00031	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	566.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92613	1.9
55.01883	2.1
55.05519	2.7
60.11211	1.5
61.02895	1.7
66.10436	1.5
67.05510	2.7
69.03432	7.3
71.04996	9.1
71.60495	1.6
71.60922	2.9
79.05493	5.9
81.03412	2.3
81.07066	19.1
85.02917	15.3
85.06550	3.2
87.42420	1.5
89.87852	1.7
91.03931	2.1
91.05486	10.2
93.07054	15.7
94.90287	1.5
95.08615	4.3
97.02904	13.0
97.06578	1.9
98.09683	3.2
99.04457	29.3
105.07034	33.5
107.08602	14.2
109.02911	1.9
109.06516	5.8
111.08080	7.1
113.05975	1.5
119.04944	2.0
119.08594	6.1
121.06504	3.8
123.08072	5.2
124.11230	4.8
127.03911	5.5
133.06537	5.8
133.10136	46.4
135.11708	2.0
137.05981	6.2
143.08557	6.9
144.23735	1.9
145.04970	5.5
145.10129	4.7
146.07303	1.8
147.08017	3.1
151.07553	3.6
151.11234	5.0
153.01868	3.5
153.05440	1.9
161.08275	2.9
161.09627	58.1
163.11206	14.7
165.05484	2.3
179.10678	24.9
189.09109	23.8
207.10141	19.4
218.54866	1.6
218.82787	1.4
225.11224	100.0
228.10245	2.7
377.39044	1.5
385.85510	1.7
423.12122	1.8
566.18744	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05476	1.7
55.05506	7.4
57.07071	5.5
65.03946	2.7
67.05510	19.9
69.03426	4.6
69.07077	9.9
69.64722	4.6
69.65152	8.0
73.66009	1.7
74.49207	1.8
79.05499	18.0
81.07068	26.2
83.08624	6.1
85.06558	2.7
86.15403	1.9
91.05489	27.6
93.07051	38.0
95.04974	7.1
95.08620	29.4
96.82529	1.9
97.06537	2.9
105.07038	56.0
107.08596	29.4
109.06537	3.9
109.10166	19.4
109.34525	1.7
111.08083	2.5
115.05466	5.8
116.06304	2.0
117.07059	9.7
119.08588	59.4
121.06512	4.3
121.10148	39.1
123.08089	9.3
123.11728	8.1
125.05950	2.0
128.06226	10.6
129.06985	11.3
130.07816	4.5
131.08578	23.5
133.10132	29.5
135.08084	6.5
135.11699	8.2
137.09618	4.8
141.06987	5.2
142.07797	13.5
143.08571	25.4
144.09369	4.2
145.10141	33.1
147.08072	8.4
147.11720	14.3
149.09613	4.0
149.13322	2.8
151.07544	5.8
151.11285	2.0
153.07088	3.2
154.07825	1.8
155.08542	13.9
156.09380	12.3
156.42421	2.1
157.10135	38.9
158.10945	5.9
159.11697	20.2
161.13370	4.6
163.11208	4.4
165.07024	5.8
165.09138	14.7
166.07993	2.3
167.08572	8.7
167.10739	7.4
168.09373	4.3
169.10147	24.3
170.10960	7.5
171.11722	20.0
173.13229	18.4
175.11240	2.1
175.14763	4.8
179.08583	10.4
180.09367	5.0
181.10156	13.7
181.12224	3.3
182.10928	6.6
183.11755	15.2
183.89134	1.9
184.12471	2.7
185.13257	12.7
187.14896	5.8
188.47487	2.1
189.12810	2.4
191.14374	3.1
192.09369	4.6
193.10130	10.1
194.10991	7.5
195.11707	15.2
196.12535	4.4
197.13272	15.2
199.11281	2.0
199.14841	9.3
203.14349	7.5
206.10965	7.4
207.11758	14.1
207.13683	4.2
208.12531	5.2
209.13239	20.5
210.14084	3.0
211.14886	6.4
213.12802	2.1
213.16451	3.9
217.10123	2.6
218.10814	3.4
219.11708	5.7
220.12521	7.9
221.13303	12.0
221.15433	28.1
222.13936	3.1
223.14828	9.1
225.12752	1.9
225.16313	4.6
229.10226	2.5
230.10907	2.9
230.23016	2.4
231.11737	9.5
232.12422	3.5
233.13297	8.8
233.15392	4.0
234.14116	4.0
235.14862	11.2
236.60883	2.0
237.12842	2.3
237.16454	8.7
239.18060	5.9
243.11636	3.7
244.12421	2.9
245.13380	6.0
246.14061	5.9
247.14859	7.3
247.17076	3.1
248.15652	2.7
249.16342	3.8
250.17299	2.4
251.18091	5.6
253.19623	4.4
257.13193	3.2
258.14233	4.4
259.14990	5.4
260.15604	3.4
261.16473	5.7
263.18036	5.4
265.19604	8.5
271.14801	3.8
272.15695	2.1
273.16403	6.1
275.17993	5.3
277.19611	4.4
282.28021	2.9
283.20584	2.8
285.16251	3.8
287.17664	3.1
289.19458	3.7
297.16385	2.4
301.19470	3.1
310.31161	3.3
316.21933	2.3
329.22638	4.0
331.24319	6.0
355.24326	2.1
357.25943	6.2
381.67126	2.5
385.28973	3.3
412.27780	2.0
473.34396	11.0
547.39368	12.7
565.40491	100.0
566.41565	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	565.4042
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01583	0.9
51.02372	2.1
53.03944	3.0
55.05513	10.2
57.07076	6.6
59.04992	2.2
65.03934	2.0
67.05505	14.3
69.03443	4.6
69.07078	10.0
69.39619	2.6
69.40041	5.1
79.05498	14.1
81.03432	1.3
81.07059	20.4
83.04980	4.2
83.08616	5.0
85.06540	3.3
91.05482	28.9
93.07045	33.3
95.04962	5.5
95.08033	1.5
95.08611	24.0
95.68515	0.8
97.06522	3.0
98.20635	1.6
102.69382	1.0
103.05468	3.7
105.04537	1.0
105.07030	48.4
107.04935	1.5
107.08598	27.0
109.06532	4.5
109.10166	15.1
111.08056	1.8
114.83812	0.9
115.05451	3.2
116.06224	1.1
117.07028	12.2
119.06114	1.1
119.08586	51.0
121.06522	2.8
121.10146	35.8
123.08050	7.6
123.11722	6.1
125.06014	3.1
128.06213	8.8
129.07014	10.6
130.07796	3.7
131.08574	20.9
132.09375	1.2
133.07898	0.8
133.10133	29.2
135.08051	5.4
135.11703	9.9
137.09608	6.3
139.07553	1.1
141.07004	6.4
142.07790	18.8
143.08565	26.0
143.09680	1.6
144.09364	5.4
145.10123	31.7
145.11272	2.0
147.08049	8.8
147.11700	9.2
149.09598	5.3
149.13264	1.7
151.07545	7.5
153.07011	2.6
154.07742	1.6
155.08546	11.7
156.09358	11.7
157.10130	31.7
158.10913	5.8
159.08034	2.2
159.11690	17.1
161.09662	2.8
161.13229	4.3
163.11205	5.2
165.07019	5.8
165.09119	18.5
166.07817	2.9
167.08603	6.9
167.10687	5.7
168.09372	4.0
169.10146	19.1
170.10898	7.1
171.11703	20.9
172.12529	0.9
173.09612	2.7
173.13257	17.6
175.11234	2.7
175.14827	4.9
177.09151	1.4
177.12817	1.2
178.07831	1.0
179.08592	10.8
179.14359	1.1
180.09329	4.2
181.10144	10.7
181.12193	4.4
182.10930	5.9
183.11688	16.6
184.12479	3.2
185.09630	1.1
185.13258	16.0
187.11237	1.4
187.14865	5.3
189.12782	3.0
191.08643	1.5
191.10757	1.5
191.14336	2.1
192.09343	4.7
193.10158	11.9
193.11899	1.5
194.10844	7.0
195.11707	14.5
196.12546	4.7
197.13271	16.7
198.14047	1.1
199.11169	1.3
199.14841	9.5
201.12811	1.1
201.16400	2.3
203.08575	2.0
203.14313	8.5
205.10181	3.9
206.10918	6.3
207.11734	13.1
207.13840	4.3
208.12466	4.8
209.13293	17.8
209.15268	2.0
210.14050	4.1
211.11366	1.3
211.14833	9.7
213.12930	1.3
213.16371	4.3
215.08589	1.0
215.14403	1.4
217.10176	3.4
217.15755	1.7
218.10938	2.8
219.11740	6.6
220.12483	5.6
221.13281	12.1
221.15410	35.2
222.14030	2.5
223.14781	9.7
225.12839	1.2
225.16449	3.6
227.14404	1.1
227.17984	1.1
229.10184	1.5
230.10965	2.4
231.11678	4.7
232.12485	4.7
233.13280	8.4
233.15431	2.4
234.14035	3.0
235.14856	9.0
236.15633	1.7
237.16400	6.1
239.14500	1.0
239.17935	4.6
242.11035	1.1
243.11787	3.3
244.12518	2.9
245.13286	7.4
246.14052	4.6
247.14856	6.7
247.17041	2.3
248.15665	2.7
249.16444	5.1
250.17238	1.2
251.18019	4.8
253.19518	4.5
257.13269	3.8
258.14084	2.8
259.14856	5.2
260.15622	1.6
261.16360	8.5
262.17310	1.4
263.17813	5.3
265.19589	8.4
271.14868	2.5
272.15652	2.2
273.16275	5.0
274.17227	2.1
275.17822	4.3
277.15475	0.9
277.19406	4.7
279.21118	2.1
283.14957	1.3
283.20679	2.0
284.15591	1.6
285.16238	1.4
287.17615	1.1
287.20551	1.8
289.19586	3.7
291.17435	1.0
291.21191	1.2
295.20657	1.2
297.16461	1.5
299.17667	1.8
301.19431	3.0
309.16382	1.1
309.22040	1.3
315.21112	2.1
317.22684	1.9
321.16656	0.9
329.22729	1.4
331.24146	5.0
335.23901	1.1
337.19482	1.5
343.24326	2.2
353.22647	1.0
355.24295	1.1
357.25781	5.4
365.24948	1.9
371.23651	1.2
385.29022	4.5
407.28827	0.9
409.28931	1.1
473.34164	12.0
485.34360	1.8
491.33408	1.6
509.34140	2.9
547.39313	8.1
565.40424	100.0
566.40753	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32582	0.5
53.03936	0.7
56.40155	0.5
57.88504	0.6
59.38253	0.7
67.05492	0.8
69.03437	1.5
69.07063	1.2
71.61251	0.7
71.61646	0.6
81.03422	5.2
81.07037	0.7
85.02911	1.3
95.04976	0.7
95.08618	1.0
97.02873	1.8
99.04462	0.8
99.60500	0.7
102.51445	0.7
105.07009	0.9
109.02879	1.6
111.04437	0.8
115.05457	2.2
123.04426	0.7
124.11192	0.7
127.03906	1.9
132.04471	7.8
134.84958	0.6
141.06996	16.3
145.02867	1.0
153.07027	1.0
169.06508	0.7
171.07956	1.0
177.05486	2.8
178.04999	57.9
179.05417	0.7
187.07529	2.3
197.05957	36.8
206.04491	100.0
207.04810	0.7
215.07019	1.9
288.43143	0.6
341.10257	3.9
358.04666	0.6
359.11209	1.6
529.42670	0.7
563.35455	1.1
564.14642	1.0
564.27179	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	564.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34949	5.4
55.05516	18.5
57.03448	16.8
67.05511	96.8
69.07071	24.8
71.62215	9.7
73.62980	5.2
79.05489	60.6
81.07059	100.0
83.04985	7.0
83.08625	21.5
85.06522	6.6
91.05481	32.9
93.07051	75.8
95.04940	10.1
95.08610	56.2
97.06554	9.1
99.08067	8.2
105.07040	26.8
107.08595	46.4
109.10175	13.7
111.08061	6.4
117.07029	9.8
119.08581	14.7
121.10164	25.0
131.08597	14.0
133.10161	18.7
135.11696	18.5
145.10188	7.5
149.13264	41.3
159.11729	12.6
175.11226	8.9
177.11313	8.2
177.12759	27.7
187.14911	6.9
195.13797	20.1
219.13766	11.5
261.22205	11.7
269.17490	94.3
317.24545	8.3
335.25824	91.6
362.08533	5.5
493.60248	5.7
527.81451	5.7
529.38983	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.8
55.01868	6.2
55.05515	46.3
57.03442	12.7
57.07085	2.8
64.87843	2.4
65.03936	6.5
67.05508	100.0
69.03429	5.1
69.07073	31.1
70.15279	6.0
70.15669	8.1
71.04994	12.0
79.05043	4.6
79.05495	61.2
81.03426	19.2
81.07061	99.6
83.04972	11.4
83.08626	23.1
84.05347	2.8
85.02910	7.8
85.06545	4.3
89.69021	2.7
90.64311	2.7
91.05486	53.4
93.07055	71.1
94.07363	2.5
95.04985	19.3
95.08036	4.6
95.08614	67.5
97.06517	12.5
97.10188	19.1
98.64359	2.7
99.08090	2.8
105.07033	48.2
105.57014	2.4
107.05000	5.4
107.08601	44.2
108.08898	3.9
108.34798	2.8
109.06505	6.1
109.10158	37.9
111.04443	6.0
111.08077	8.0
112.69016	2.6
117.07040	24.1
119.08589	44.6
121.06509	4.0
121.10155	36.8
123.08081	5.6
123.11723	12.3
125.09645	18.8
128.06190	4.4
129.07018	11.8
131.08577	37.9
133.10141	35.9
135.08038	6.9
135.11705	18.9
137.09625	5.5
139.11171	3.7
141.06970	3.2
143.08594	11.8
145.10143	26.6
147.11702	26.3
149.09654	6.5
149.13272	9.7
149.79207	2.5
151.11185	4.6
153.12752	5.2
155.08607	4.3
157.10184	12.8
159.11659	17.7
161.13203	12.3
163.11205	5.9
163.14824	3.5
165.12717	3.8
167.08466	2.8
169.10132	3.9
171.11729	11.4
173.11903	2.5
173.13309	11.6
175.11177	7.1
175.14861	5.9
181.10219	3.1
181.12215	6.0
183.11769	4.9
185.13266	6.8
187.14832	7.7
189.11201	9.7
189.16234	3.9
191.10745	4.4
191.14322	2.8
193.12245	17.8
195.11664	3.4
197.13268	5.7
199.14841	5.0
211.13281	22.7
213.16447	3.5
227.12814	7.5
229.14420	6.0
249.16347	3.6
261.22253	13.9
261.24472	2.6
267.16003	7.2
277.21439	3.4
285.16830	13.4
285.22000	4.9
287.23599	4.4
289.21628	4.8
301.25244	4.2
303.23178	10.1
317.24741	5.8
327.23514	3.2
335.25845	16.5
374.80969	2.9
391.56970	2.9
398.77246	3.1
417.31381	3.3
435.32510	12.5
453.33524	15.0
469.19513	2.5
471.34708	15.3
473.32712	3.2
487.34442	5.2
491.35895	2.8
509.36057	5.1
526.10541	2.5
527.37372	38.3
545.38422	68.0
546.38373	3.4
563.39459	33.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.8
53.39390	2.6
55.01884	7.2
55.05514	35.5
56.38736	2.5
57.03431	7.3
57.07062	3.6
59.04993	3.1
65.03920	5.4
67.05508	100.0
68.05830	3.1
69.03423	5.5
69.07066	29.1
71.04974	9.3
73.02914	3.3
79.05495	52.2
80.97716	3.1
81.03419	16.9
81.07058	87.0
83.04966	11.2
83.08614	21.1
85.02894	6.5
85.06522	3.2
91.05481	45.8
92.05833	3.1
93.07052	51.9
95.04974	15.4
95.08038	4.7
95.08607	64.8
96.54330	2.7
97.06522	11.9
97.10178	20.9
98.20663	3.9
99.08082	3.0
105.07039	50.9
107.04892	2.8
107.08601	37.7
109.06527	5.2
109.10158	35.6
111.04474	5.3
111.08064	7.6
115.05473	2.8
117.07020	20.3
119.08575	47.2
121.06561	3.4
121.10131	25.6
123.08026	6.7
123.11707	12.7
125.09606	14.5
129.06990	11.2
131.08565	28.0
133.10141	28.2
135.08061	4.2
135.11725	17.2
142.07784	2.9
143.08543	11.7
145.10143	31.0
147.08118	3.6
147.11685	22.5
149.09610	7.6
149.13274	11.1
151.11182	3.8
155.08595	5.0
157.10112	15.4
159.11662	18.2
161.13240	10.0
163.11134	7.2
163.14900	4.6
165.12694	3.8
169.10075	9.2
171.11693	9.9
173.13248	11.5
175.11174	7.9
175.14943	3.2
181.10248	3.2
183.11676	6.0
185.11700	2.9
185.13327	7.8
187.14780	9.6
189.11247	5.6
193.12337	13.1
199.14841	3.4
206.21965	3.0
211.13248	19.1
227.12804	8.2
229.14325	4.9
261.22070	12.3
267.15857	5.2
269.17502	4.4
285.16992	11.3
285.22061	5.1
289.21600	5.0
299.23679	4.4
303.23141	7.2
317.24796	4.1
335.25812	13.9
429.30762	2.8
435.32843	13.2
453.33472	12.3
471.34573	14.0
473.32709	3.1
487.34006	5.6
489.35522	3.3
527.37415	30.6
545.38477	69.3
563.39594	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	563.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.7
53.03949	5.9
55.01869	7.8
55.05513	34.5
55.97847	2.4
57.03452	14.1
57.07069	4.2
59.05000	3.7
60.34740	2.7
65.03939	3.8
67.05510	98.0
69.03418	7.3
69.07070	23.3
70.65200	2.6
71.04995	11.0
74.14335	2.7
75.84850	2.5
79.05497	56.4
79.58510	2.7
81.03427	27.8
81.07062	100.0
83.04985	19.6
83.08626	32.9
85.02910	5.9
85.06551	6.6
86.68511	2.7
91.05489	46.5
93.07051	59.5
95.04974	21.1
95.08617	66.9
97.06531	12.4
97.10181	15.3
99.08115	7.4
103.05495	3.3
105.07040	55.0
107.04943	4.4
107.08607	46.5
109.06527	6.3
109.10161	39.0
111.04447	8.1
111.08094	11.4
117.07043	15.1
117.07746	2.5
119.08584	42.0
121.10159	29.5
123.08057	2.6
123.11734	12.7
125.09619	11.7
128.06175	4.7
129.07050	12.9
131.08562	29.0
133.10129	33.3
135.08044	4.9
135.11697	25.3
137.09656	4.2
142.07843	7.3
143.08582	13.4
145.10118	31.2
145.85432	3.4
147.08084	5.3
147.11690	19.0
149.09633	5.0
149.13281	11.4
151.11211	3.7
153.12778	3.7
155.08569	7.5
157.10138	18.5
159.11713	19.5
161.13232	9.9
163.11174	7.3
165.12764	3.8
165.18498	2.8
167.08693	4.4
169.10152	9.7
171.11742	7.4
173.09663	3.5
173.13255	13.7
175.11194	10.2
175.14932	4.9
177.12862	4.7
181.09981	3.1
181.12256	10.1
183.11720	7.1
183.89600	2.6
185.13264	9.0
187.14815	4.8
189.11194	7.4
193.12221	28.1
195.11742	6.0
197.13333	5.6
199.14827	5.5
201.16495	3.4
208.12492	2.9
209.13387	3.7
211.13251	32.3
211.14928	4.1
225.16556	3.1
227.12794	10.4
229.14288	4.9
235.14699	3.1
261.22205	18.9
267.15942	3.7
279.23260	3.7
283.15265	5.5
285.16916	15.1
285.22150	8.1
303.23260	8.0
317.24857	5.7
335.25742	26.9
359.25867	2.9
366.76208	2.6
417.31125	4.2
435.32666	8.1
451.30112	3.3
453.33701	15.1
471.34607	10.6
487.34357	6.2
489.35852	3.5
527.37317	30.2
545.38348	69.1
563.39392	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01873	8.6
55.05263	2.0
55.05515	37.0
57.03435	9.6
57.07070	4.2
59.05000	3.2
65.03930	5.5
67.05505	100.0
69.03403	4.2
69.06770	2.1
69.07075	26.7
71.05000	8.9
71.62363	1.9
79.05061	2.9
79.05495	57.3
81.03422	33.8
81.07059	95.7
83.04974	17.5
83.08131	2.2
83.08620	27.7
83.54319	1.6
85.02914	10.0
85.06519	4.1
91.05479	56.4
93.06452	3.4
93.07045	66.6
95.04977	20.6
95.08608	71.1
97.06541	16.1
97.10173	14.6
99.08077	3.4
103.05437	2.9
105.07034	55.4
107.04953	4.7
107.08601	50.8
107.09306	1.7
109.06506	6.5
109.10156	40.5
111.04415	7.3
111.08098	11.2
113.06001	2.1
113.09644	3.4
115.05401	4.0
117.07018	16.7
119.08575	50.8
121.06523	3.1
121.10148	33.2
123.08054	6.0
123.11701	17.5
125.09668	13.0
128.06239	3.9
129.06989	13.6
131.08569	36.2
133.06551	2.1
133.10136	32.6
133.11093	1.4
135.08017	5.1
135.11705	18.3
137.09625	4.7
137.13235	4.3
139.11163	4.9
141.06964	4.2
142.07788	7.0
143.08557	13.3
144.09308	2.4
145.10121	29.2
147.08069	2.8
147.11685	25.8
149.09604	7.0
149.13272	11.0
151.11159	3.5
153.12730	7.0
155.08592	8.4
155.10704	3.1
156.09355	3.4
157.10156	17.9
159.11690	15.8
161.13205	11.7
163.11205	6.5
163.14818	4.4
167.08597	3.6
169.10120	9.0
171.11707	11.3
173.09755	3.5
173.13231	12.8
175.11142	10.7
175.14799	6.8
177.12770	2.1
179.08586	4.0
181.10167	4.2
181.12222	10.8
183.11726	10.1
185.13242	6.7
187.14841	5.0
189.11165	6.9
189.12712	2.3
191.10643	3.9
191.14301	2.4
193.10333	4.5
193.12224	31.2
194.10933	1.9
195.11679	6.1
195.13721	3.4
197.13243	5.1
199.14824	6.9
201.16353	3.4
205.10159	2.1
207.11627	5.6
209.13255	6.1
211.13246	37.8
211.14902	3.9
213.16370	3.3
221.13448	3.2
221.15372	3.2
223.14780	4.1
225.16414	3.5
227.12764	10.2
229.14342	5.9
235.14743	4.3
243.11726	3.0
243.15862	2.1
243.21059	3.2
247.14671	2.7
249.16345	2.8
250.07138	2.0
261.22192	24.7
263.17883	2.6
265.19675	2.3
267.15857	6.8
271.14673	2.1
273.21823	1.8
275.20276	2.1
277.21741	2.4
279.23215	5.0
283.15179	4.2
285.16837	16.0
285.22086	4.3
301.25238	3.7
303.23233	5.8
317.24762	5.6
335.25842	26.1
359.25803	3.4
373.27225	2.4
395.27277	3.5
417.31180	2.3
435.32434	9.2
436.22717	2.1
453.33560	14.4
471.34668	10.8
473.32657	3.8
487.33676	3.1
489.36163	2.8
509.36359	1.8
527.37238	30.3
545.38342	77.3
563.39178	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	563.2103
Annotation	His Tyr Glu Asp
Peak:m/z	Relative Intensity
57.37133	0.6
64.63647	0.5
69.03418	4.1
70.06586	1.4
70.28348	2.1
71.68150	0.6
72.87870	0.6
89.02562	0.6
108.05347	0.6
124.11228	2.2
125.09644	3.8
126.09948	0.9
127.03925	0.7
139.46370	0.6
142.12274	2.2
147.04402	0.8
147.08072	1.2
148.08429	1.0
159.04189	2.3
167.07011	0.7
241.14691	0.6
293.22394	0.5
311.55173	0.6
337.12567	1.2
351.10376	0.6
365.12140	2.2
366.12823	2.2
563.21008	100.0
564.21399	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	563.2493
Annotation	(2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Peak:m/z	Relative Intensity
50.11357	0.8
50.74239	0.8
52.03855	0.8
57.32245	0.6
58.60533	0.6
63.69859	0.7
67.05475	1.6
69.03423	1.8
70.59249	0.7
70.85331	2.1
81.03422	3.7
81.07053	0.9
89.03922	5.8
91.05486	2.0
91.73859	0.7
93.07058	1.0
95.08607	2.1
97.02893	0.8
105.07018	1.3
107.08568	1.6
109.02866	0.9
111.71951	0.8
117.03386	18.6
117.04222	1.0
119.08623	0.8
121.10144	0.9
122.48686	0.7
123.08089	2.1
127.03902	1.4
131.04935	1.3
131.82124	0.7
134.03572	1.0
135.04422	1.4
145.02849	45.2
147.04376	1.4
147.11642	0.9
149.05997	8.0
149.09619	3.0
153.01822	1.4
154.91624	0.7
165.12738	0.8
177.05475	100.0
186.05486	0.7
189.12819	1.5
193.05052	0.9
195.06587	1.6
197.35954	0.8
207.13850	3.0
209.15378	1.5
249.11064	0.8
276.11102	0.8
287.05521	2.6
321.09879	3.6
339.10840	5.7
393.15027	3.4
536.40485	1.1
563.17755	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	563.155
Annotation	3,5,7,4'-Tetrahydroxyflavan-(4-O-4)-3,5,7,4'-tetrahydroxyflavan
Peak:m/z	Relative Intensity
55.05484	0.2
56.96565	0.2
67.01865	0.5
67.05481	0.5
68.99801	0.5
69.03422	0.5
69.07066	0.2
79.05504	0.4
81.03409	0.7
81.07059	0.3
83.04981	0.2
85.02908	0.3
91.05482	0.7
93.07018	0.2
95.08588	0.3
97.02882	0.4
98.21477	0.4
103.05473	3.3
105.07047	0.4
107.08569	0.4
109.02897	0.3
119.04948	1.8
119.08574	0.4
121.02898	0.8
121.10099	0.3
127.03896	0.3
131.04933	11.4
131.08598	0.3
133.10173	0.4
145.02783	0.8
145.06451	0.2
145.10049	0.2
147.04381	0.4
147.11749	0.2
149.05986	0.5
151.07545	0.2
153.01833	5.7
157.10172	0.2
159.11656	0.2
163.03894	0.5
169.06450	0.2
171.02934	1.1
189.16245	0.2
203.07066	0.5
213.12827	0.2
225.05511	0.5
229.04964	0.3
243.06628	0.2
255.06534	2.1
255.08948	0.3
271.06015	100.0
272.06354	0.7
275.09082	0.7
287.05722	0.2
293.10617	0.2
495.29416	0.2
504.29684	0.6
513.30206	0.5
522.30884	0.2
563.33728	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.1
57.03434	3.3
57.07080	1.4
67.05505	2.1
68.86615	1.2
69.03432	16.9
69.07070	100.0
70.37209	1.4
71.51216	1.6
73.02921	1.8
79.05492	10.2
81.03415	2.1
81.07050	1.8
85.02910	14.3
87.04465	7.9
91.05498	2.8
93.07058	1.6
95.04976	1.4
97.02898	13.3
99.04447	1.3
105.03397	28.3
105.07013	2.2
109.02861	1.9
109.10172	1.4
111.11726	56.8
115.03938	12.4
119.08578	1.5
120.08104	1.5
121.06492	1.3
121.10142	2.1
123.04440	37.5
124.11226	1.7
127.03964	1.9
127.40495	1.6
129.12758	13.8
133.05006	11.8
145.04974	1.7
147.04362	1.7
150.07687	2.4
195.32333	1.3
220.24644	1.4
226.98474	1.4
233.15361	36.5
251.16409	5.9
322.34573	1.4
392.54260	2.0
402.70724	1.3
562.18823	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.4
53.03949	6.1
54.09447	0.9
55.01873	2.4
55.05518	22.3
57.03437	4.4
57.07089	1.8
59.04992	1.7
61.02928	1.5
65.03944	5.0
67.05509	91.4
69.03421	2.7
69.07075	20.6
70.72886	3.3
71.04998	56.9
77.03964	1.0
79.05498	72.9
80.64029	0.9
81.07062	100.0
83.04988	12.7
83.08624	11.1
85.06551	6.5
91.05489	63.5
93.07052	66.8
95.04960	6.9
95.08610	40.9
97.06532	9.4
97.10186	3.3
99.08093	2.3
102.91792	1.0
103.05482	1.2
105.04518	2.9
105.07037	36.6
107.04997	1.0
107.08601	35.6
107.11713	0.9
109.06499	3.1
109.10161	16.3
110.12882	1.2
111.08106	4.7
117.07030	10.0
119.08588	15.9
121.06517	1.0
121.10154	25.8
123.08086	2.6
123.11718	20.1
125.09682	1.4
129.07034	1.5
131.08577	15.4
132.54472	1.1
133.10144	34.2
135.11703	17.4
137.09618	1.3
143.08553	1.8
145.10156	7.8
147.11722	7.1
149.13248	15.4
151.11192	13.5
157.10138	1.9
159.11707	14.9
159.83727	1.0
161.12135	1.2
161.13275	5.8
163.14868	1.4
169.10173	1.3
171.11766	1.2
173.13280	5.5
175.14890	2.1
177.12756	4.3
183.13809	20.3
183.15321	1.7
185.13245	1.2
187.13365	2.6
187.14900	1.6
188.35533	1.0
195.13806	6.5
201.14818	1.3
227.16444	2.7
257.17560	2.2
261.22330	5.2
269.17499	3.6
283.19144	2.8
285.16977	4.5
349.27469	1.2
361.27390	2.4
363.25439	4.5
437.34094	1.8
511.37564	2.0
517.38928	28.9
521.78876	1.3
529.38910	16.6
561.41559	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58223	1.3
53.03950	7.6
55.01872	3.2
55.05510	29.2
57.03444	5.5
57.07065	3.0
57.94936	1.2
59.05003	1.6
59.75492	1.2
65.03926	6.3
67.05508	91.2
69.03436	2.6
69.07068	22.2
71.04994	49.3
71.32516	1.9
71.32838	1.6
77.03959	1.7
79.05495	72.0
81.03426	2.6
81.07059	100.0
83.04976	12.4
83.08620	15.1
85.06538	7.9
91.05487	61.6
93.07047	65.3
95.04974	10.2
95.08606	44.8
97.06535	11.1
97.10200	5.2
99.08108	1.4
103.59738	1.2
105.04530	1.7
105.07039	35.2
105.07744	1.9
107.04980	1.8
107.08591	36.6
107.09261	2.4
109.06538	4.7
109.10170	21.3
111.04517	2.0
111.08122	3.9
117.07011	11.4
119.08585	19.4
121.10148	23.8
123.08092	2.7
123.11706	19.6
125.09678	5.9
129.07040	5.4
131.08568	23.7
133.10135	31.7
133.11041	2.3
135.08104	2.8
135.11696	18.9
137.09680	2.2
137.13303	1.7
142.13805	1.3
143.08630	4.2
145.10130	11.9
147.11694	8.8
149.13261	14.0
150.47063	1.3
151.11186	12.2
153.12865	1.7
157.10219	3.9
159.11699	16.6
159.12831	1.5
161.13243	7.6
163.11172	3.1
163.14937	1.5
165.12820	1.8
169.10181	2.1
169.12375	2.0
171.11703	3.4
173.13351	5.0
175.14940	3.3
177.12822	4.0
183.12065	1.9
183.13791	17.6
185.13303	2.5
187.13419	2.5
187.14894	2.1
195.13826	6.4
197.13258	2.1
199.14949	3.2
201.14726	1.4
211.15048	1.9
227.12869	3.7
243.21088	1.6
253.18047	2.5
259.20749	1.8
261.22311	5.3
269.17636	3.0
283.15524	2.1
283.18991	1.2
285.17111	3.0
299.23697	1.6
308.20734	1.5
317.24908	1.9
335.26163	4.8
361.27524	2.4
363.25522	3.6
437.34259	3.0
455.35602	1.9
457.16168	1.4
511.38370	2.4
517.38861	23.3
529.38947	23.8
529.46930	1.5
543.36511	6.9
561.41522	69.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	2.7
53.03945	7.9
53.73679	1.1
54.28662	1.1
55.01878	3.8
55.05518	25.6
57.03436	4.4
57.07082	3.0
58.87171	1.1
59.04998	2.0
59.82066	1.2
62.91851	1.1
65.03952	4.5
67.05509	90.6
69.03431	3.1
69.07075	18.4
69.50299	1.2
71.04997	56.6
76.23914	1.1
79.05495	67.5
81.03436	2.7
81.07061	100.0
83.04993	12.4
83.08614	10.9
85.06556	6.4
91.05486	67.6
93.07050	72.4
95.04999	7.1
95.08617	42.6
97.06546	10.4
97.10172	4.1
98.21519	2.2
99.08102	2.4
103.05484	1.6
105.04539	2.1
105.07034	32.5
107.08603	39.5
109.06549	4.8
109.10163	16.1
111.08105	3.8
117.07005	9.7
117.42377	1.2
119.08586	15.5
121.10153	22.9
121.11008	1.5
123.08089	2.4
123.11713	22.0
123.12555	1.6
125.09643	4.1
128.06177	1.2
129.07048	2.0
131.08588	18.6
131.09485	1.8
133.10133	31.7
135.08241	1.1
135.11703	17.9
143.08589	2.3
143.79742	1.4
145.10136	7.1
147.11665	7.3
149.09734	1.6
149.13272	17.0
151.11192	14.7
155.08575	1.4
157.10245	2.0
159.11705	13.0
161.09595	1.1
161.13274	6.5
163.11241	2.5
163.14853	1.5
171.11739	2.3
173.13356	3.7
175.14836	2.1
177.12843	4.9
183.11996	2.0
183.13809	16.8
183.15257	1.6
187.13348	3.0
187.14912	1.8
189.12973	1.4
195.13773	7.0
213.14870	2.8
227.16365	2.1
229.47614	1.6
243.21054	1.8
257.17505	1.8
259.20773	1.7
261.22284	4.9
269.17609	2.0
283.19205	2.3
285.16910	6.4
299.23993	1.5
317.24936	2.2
333.24878	1.3
335.25903	3.2
349.27478	2.2
361.27463	2.9
363.25494	3.6
469.33313	1.5
517.38983	27.1
525.35632	2.2
529.38617	9.8
543.36969	7.4
561.41473	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61727	3.5
55.01858	6.6
55.05508	44.1
57.03425	13.8
57.07059	6.3
62.34169	3.8
65.01157	3.6
65.03920	4.5
67.05504	92.3
69.03412	8.5
69.07074	31.4
71.04998	9.3
73.23553	4.0
75.48401	3.7
79.05492	71.7
81.03416	43.9
81.07060	100.0
82.07361	3.8
83.04969	15.5
83.08626	37.2
85.02905	12.0
91.05478	82.3
93.07050	67.9
95.04967	21.6
95.08607	49.7
97.06532	10.5
97.10174	16.8
105.07034	70.1
107.04961	10.1
107.08607	36.4
109.06519	4.0
109.10137	30.2
111.08097	11.4
115.05480	5.3
117.07021	28.8
117.58432	3.9
119.08582	55.4
121.06517	5.0
121.10141	33.0
123.08089	5.6
125.09623	17.3
128.06210	8.7
129.06992	30.6
130.07758	5.5
131.08575	47.8
133.06454	4.7
133.10126	37.4
135.08063	8.9
135.11688	15.2
141.06973	11.0
142.07808	5.0
143.08546	27.2
145.10126	34.7
147.08014	5.6
147.11716	37.3
149.09639	10.8
149.13257	6.6
155.08546	16.8
157.10126	28.9
159.11690	19.3
161.13260	17.7
163.11110	4.9
169.10100	13.4
171.08069	4.5
171.11681	18.9
173.11855	5.5
173.13284	14.9
175.11177	9.5
175.14827	10.9
181.10086	7.8
183.11697	14.1
185.13272	18.6
187.14780	5.3
189.11200	5.4
193.12245	28.3
193.13832	4.3
195.11552	5.3
197.13223	11.2
199.14845	9.3
211.13268	30.0
211.14996	5.4
213.16341	5.4
227.12614	8.5
229.14311	7.5
231.21405	4.7
235.14600	5.2
237.16502	4.1
239.71538	3.9
241.19461	14.8
259.20560	34.2
269.17462	5.1
271.20294	4.4
275.20041	12.7
277.21619	6.9
285.16812	24.4
297.22098	7.8
299.23700	7.2
315.23181	12.7
325.21271	4.3
333.24191	16.4
353.25015	4.6
415.29639	5.7
433.31061	14.9
440.92459	4.3
451.31894	12.2
469.32834	13.9
487.33801	5.6
525.35699	28.3
543.29285	6.3
543.36871	94.0
561.38110	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	9.6
55.01878	9.8
55.05510	42.0
57.03440	12.7
57.07069	5.5
60.62844	3.7
62.99763	3.8
65.03936	4.6
67.05509	88.0
69.03419	9.2
69.07069	25.2
69.82751	3.7
71.04995	13.1
71.08673	3.7
71.62599	5.6
79.05495	64.3
80.42892	4.0
81.03419	42.4
81.07059	80.4
83.04977	16.3
83.08637	22.7
85.02895	7.1
85.06533	5.2
91.05491	77.8
93.07054	62.0
95.04976	19.9
95.08031	6.5
95.08607	50.7
97.02894	3.5
97.06532	16.0
97.10188	18.6
105.04525	4.2
105.07030	70.3
107.04950	7.8
107.08600	34.7
109.06524	7.5
109.10187	36.8
110.39323	4.7
111.08076	9.2
115.05460	4.6
117.07034	34.9
119.08585	58.6
121.06504	4.2
121.10141	26.1
123.08103	9.4
125.09647	16.7
128.06233	7.5
129.07010	26.7
131.08563	47.6
133.10127	38.7
135.08043	4.8
135.11711	21.4
137.09558	5.5
139.42426	3.8
141.06978	11.1
142.07800	7.4
142.60529	4.3
143.08586	31.4
145.10146	27.0
147.08098	5.6
147.11723	37.6
149.09578	9.7
149.13269	7.3
155.08517	10.5
157.10133	23.5
159.11670	22.9
161.09680	5.9
161.13310	16.1
163.11247	5.0
167.08600	5.0
169.10170	13.2
171.11676	16.3
173.11835	4.1
173.13261	15.1
175.11159	11.4
175.14801	11.3
181.10133	8.9
183.11746	12.3
185.13246	13.2
187.14804	13.5
189.11197	10.2
189.12726	6.0
189.89388	4.2
193.12265	22.6
195.11653	6.4
197.13286	5.8
199.14851	6.3
209.13394	4.9
211.13208	34.2
215.14491	4.1
220.55193	4.4
221.13347	4.1
225.16348	4.6
227.12779	6.8
229.14427	9.7
241.19485	14.0
259.20627	32.9
267.15967	5.8
275.20071	8.0
285.16931	17.4
297.22064	10.6
299.23682	5.5
315.23160	9.4
333.24243	23.0
389.26947	7.0
405.31528	4.9
415.30029	5.9
433.31015	13.7
451.31894	11.5
469.32980	12.2
487.34552	5.6
525.35791	27.9
543.36835	100.0
561.37927	36.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.4
55.01870	9.9
55.05513	50.4
57.03429	11.3
65.03947	4.6
67.05506	74.6
69.03409	4.4
69.07063	27.0
70.85319	9.4
71.04982	9.1
74.51554	3.2
79.05497	55.2
81.03425	11.4
81.07062	73.7
81.98682	3.2
83.04983	14.9
83.08625	30.6
85.02888	5.7
85.06532	4.9
91.05489	47.7
91.71400	3.3
93.07046	52.6
95.04968	14.3
95.08607	57.5
97.06544	8.8
97.10179	33.8
105.04539	3.3
105.07043	45.7
107.04926	4.2
107.08597	43.7
109.06501	8.5
109.10166	31.0
111.04429	12.2
111.08090	9.2
115.05441	4.0
117.07008	21.4
117.07710	3.8
119.08599	36.7
121.06479	5.0
121.10155	28.7
123.08085	4.2
123.11700	11.6
125.09655	27.8
129.06999	9.1
131.08572	31.7
133.10133	26.7
135.08040	9.4
135.11682	25.4
143.08551	14.8
145.10126	36.9
147.11710	17.5
149.13258	9.1
153.12785	6.3
155.08553	5.0
157.10147	12.0
159.11678	20.2
161.13208	9.1
163.11171	19.7
169.10164	8.2
171.10355	4.0
171.11635	7.6
173.13290	12.4
175.11244	4.1
177.12750	3.3
181.12184	6.4
183.11720	6.2
185.13272	3.5
187.14812	3.8
189.11214	11.7
191.10614	7.0
193.12268	5.5
197.13307	6.9
199.14832	3.6
209.13353	4.2
211.13190	4.0
223.14903	3.6
227.12752	33.1
259.20703	3.5
261.22144	19.8
273.21957	3.7
277.21722	6.1
279.23318	4.3
283.15442	18.1
297.22159	3.9
299.23758	20.5
301.21573	5.7
315.23178	5.2
317.24774	12.8
333.24121	5.7
335.25787	9.3
337.70490	3.5
433.30914	10.1
451.32199	16.1
469.32938	14.1
487.34033	12.6
495.79306	4.2
515.37500	4.0
525.35907	17.2
543.36853	100.0
561.38000	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.6
55.01862	10.7
55.05514	42.2
56.58543	2.0
57.03429	10.6
57.03701	2.4
57.07070	3.7
63.67731	2.1
63.79316	2.0
65.03912	3.7
67.05169	4.8
67.05511	78.2
68.54786	2.4
69.03416	6.3
69.07069	19.6
71.04977	6.8
71.06007	3.9
79.05497	53.4
81.03407	9.9
81.07064	62.5
83.04989	14.6
83.08626	23.3
85.02923	4.4
85.06520	5.2
86.53589	2.1
88.18411	2.4
91.05487	44.1
93.07046	50.9
95.04967	12.7
95.08040	4.0
95.08612	50.2
97.06515	8.0
97.10180	27.3
99.08055	2.6
105.07043	40.8
107.04916	3.5
107.08604	40.8
109.06528	6.0
109.10165	24.4
111.04456	13.5
111.08064	6.9
115.05417	2.7
117.07025	18.1
119.07889	3.5
119.08598	35.3
121.06504	5.3
121.10158	24.0
123.08028	5.3
123.11736	10.9
125.09656	24.7
128.06181	2.8
129.06990	16.0
131.08580	29.0
133.06517	2.7
133.10139	21.0
135.08076	4.7
135.11720	20.9
137.09547	3.0
141.06961	3.2
142.07774	2.7
143.08594	11.8
145.06470	3.9
145.10130	30.6
147.08014	3.3
147.11722	18.0
149.09581	5.1
149.13274	8.0
151.11168	3.8
153.12714	6.9
155.08609	7.1
157.10100	9.2
159.11726	19.1
161.13249	10.7
163.11179	14.4
163.14891	3.4
167.08490	2.8
169.10081	9.2
171.10277	4.3
171.11688	10.2
173.09666	3.5
173.13278	13.0
175.14822	5.3
181.12234	7.0
183.11699	6.6
185.13252	11.1
187.14830	5.9
189.11177	17.0
191.10670	6.4
193.12282	7.2
197.13264	4.8
199.14787	4.5
201.16394	4.2
209.11746	7.3
211.13167	4.6
211.15030	3.2
221.13152	2.4
223.14908	2.6
227.12787	37.9
241.19716	2.7
245.13741	5.0
259.20660	6.4
261.22067	14.2
267.15891	3.7
277.21683	5.6
279.23309	3.0
283.15387	19.0
285.17145	3.0
299.23691	16.4
301.21542	6.7
315.23282	3.6
317.24774	9.3
319.22873	3.5
333.24274	2.6
335.25726	10.3
339.64618	2.5
423.32886	2.9
433.31143	7.6
451.32181	16.3
469.32938	16.1
487.34027	11.3
507.34070	3.2
515.37140	5.6
525.35876	21.0
543.36841	100.0
544.37091	3.0
561.37927	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.6
55.01868	10.4
55.05258	3.3
55.05513	55.6
57.03432	8.2
57.07085	3.9
59.04998	2.7
65.03936	3.4
67.05509	84.1
69.03428	4.2
69.06708	2.9
69.07063	25.0
69.39841	15.7
71.04992	11.1
77.03911	2.5
79.05498	67.8
80.05798	2.9
81.03415	15.3
81.07059	91.5
83.04994	17.0
83.08627	32.0
85.02886	3.8
85.06530	5.1
91.05485	51.8
93.07050	65.9
95.04974	18.4
95.08037	3.2
95.08610	55.7
97.02855	2.0
97.06545	9.3
97.10173	36.7
99.04433	2.5
99.08070	1.7
103.05510	2.1
105.07037	54.6
107.04968	6.1
107.08602	50.3
109.06521	6.6
109.10158	31.6
111.04442	9.7
111.08050	8.3
115.05443	3.0
117.07024	29.0
119.08591	37.0
121.06537	3.7
121.10151	27.5
123.08065	7.5
123.11725	10.8
125.09633	25.3
129.07011	15.2
130.07764	2.4
131.08577	37.6
133.06517	3.9
133.10136	29.9
135.08009	9.0
135.11694	26.3
137.09663	3.3
137.13193	1.8
142.07704	2.3
143.08560	14.2
145.06519	3.4
145.10127	34.5
145.11253	1.9
147.08113	3.6
147.11690	18.4
149.09621	5.2
149.13281	10.8
151.11224	2.8
153.09088	1.6
153.12753	7.2
155.08569	6.7
157.10156	15.1
159.08032	2.5
159.11710	23.2
161.09633	4.5
161.13258	12.8
163.11200	15.7
163.14821	2.3
169.08905	1.7
169.10091	9.5
171.10382	2.3
171.11691	10.0
173.09654	4.5
173.11885	2.2
173.13284	14.9
175.11147	3.3
175.14821	7.3
177.12779	5.0
179.08575	1.7
181.10114	3.3
181.12181	9.1
183.11711	6.7
185.13271	7.5
187.11234	2.1
187.14919	7.9
189.11240	15.8
189.16377	1.8
191.10674	6.6
191.14334	1.6
193.12273	4.7
194.75269	1.7
197.13261	5.0
199.14861	6.8
201.16325	3.9
209.11623	4.8
209.13408	2.6
211.13278	5.2
211.14983	2.2
213.16293	2.1
221.13246	2.2
223.14824	4.7
227.12755	35.2
227.14804	2.2
241.19583	2.5
243.21143	3.4
245.13832	3.0
255.21027	1.9
259.20590	5.7
261.22177	20.9
267.15915	3.8
273.22098	3.9
277.21640	4.9
279.23236	2.4
281.22687	2.4
283.15417	15.9
283.20508	2.9
291.19595	1.8
297.22092	2.7
299.20486	2.4
299.23712	22.5
301.21683	4.7
315.23245	4.1
317.24738	16.0
319.22672	2.7
333.24323	4.4
335.25912	14.2
355.26205	2.1
415.29770	2.3
423.32803	1.9
433.31177	8.6
441.33536	1.9
451.32092	17.2
469.33179	16.4
487.34045	10.8
515.37219	5.5
525.35785	19.1
543.36835	100.0
544.37592	3.3
561.38385	74.6
562.38965	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	561.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.6
55.05504	2.7
65.03931	0.6
67.05511	7.0
69.07059	2.1
69.25568	2.1
69.25992	4.2
70.84509	0.6
71.04994	2.1
79.05484	4.7
81.07059	7.5
83.04984	2.1
83.08598	1.0
86.99873	0.6
91.05478	5.7
93.07053	5.3
95.04956	1.1
95.08617	4.7
97.06552	1.1
97.10171	1.0
105.07045	4.4
107.04955	0.7
107.08614	3.4
109.10190	2.0
113.86591	0.6
117.07040	1.5
119.08590	1.4
121.10143	3.0
123.11706	0.8
127.03648	0.9
131.08598	2.4
133.10158	3.3
135.11703	1.4
137.13336	0.6
145.10121	1.4
147.11749	1.1
151.11221	0.7
157.10211	0.7
159.11703	1.7
163.11269	1.0
173.16626	0.6
227.13147	0.8
253.45203	0.6
283.15430	0.9
329.68658	0.8
337.15704	3.0
365.17355	1.8
367.16748	1.3
413.18826	6.0
428.21304	3.8
441.20578	2.1
451.32205	0.7
456.22684	1.1
469.32950	0.9
517.39105	0.9
529.38593	1.5
543.36810	2.7
561.29803	100.0
561.38855	5.7
562.30109	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	561.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29272	2.8
53.03943	8.6
55.01867	10.7
55.05515	50.8
57.03429	11.1
57.07064	4.7
57.73496	3.0
58.31992	2.9
59.04994	2.9
65.03939	3.7
66.26704	3.5
67.05507	93.8
69.03418	5.6
69.07074	28.5
71.04981	5.5
71.11080	4.5
71.50632	3.0
79.05494	70.9
79.05946	4.8
81.03410	10.3
81.06570	4.3
81.07059	89.5
83.04967	14.7
83.08620	30.6
85.06516	4.8
90.80132	3.2
91.05484	58.2
93.07048	68.9
95.04956	13.0
95.08608	56.5
95.78249	3.3
97.06516	10.4
97.10173	31.4
99.08089	3.4
101.66766	3.4
105.07030	49.7
107.04938	8.0
107.08593	54.4
109.06522	9.3
109.10165	29.9
111.04421	10.8
111.08085	7.3
117.07023	25.1
119.08592	49.1
121.06482	4.7
121.10165	28.5
123.08074	7.8
123.11733	9.0
125.09657	26.5
129.07001	8.9
130.07794	3.5
131.08571	42.0
133.10143	27.8
135.08049	9.5
135.11720	23.2
137.09619	5.3
139.11165	4.3
141.07050	3.9
142.07761	3.7
143.08551	12.6
145.06552	3.4
145.10115	34.1
147.08032	4.1
147.11676	22.3
149.09648	6.6
149.13251	12.0
151.11183	3.3
153.12762	7.6
155.08572	8.4
157.10184	14.5
159.11745	20.4
161.13277	9.4
163.11183	15.7
163.14847	4.5
169.10143	11.5
171.11703	13.0
173.09579	3.7
173.13251	12.9
175.14856	4.3
177.12712	3.0
177.83051	3.3
181.12242	5.5
183.11726	6.7
185.13243	8.0
187.14815	9.6
189.11182	18.8
191.10686	6.4
193.12221	5.9
197.13274	4.9
199.11200	3.9
199.14815	4.9
201.16344	4.5
209.11644	8.2
211.13171	4.2
225.16379	4.2
227.12770	30.8
243.20990	5.7
243.95047	3.3
259.20630	7.5
261.18552	3.4
261.22202	17.6
271.20712	3.5
273.22049	3.9
275.20053	3.8
277.21539	5.7
279.23355	3.5
281.22491	3.3
283.15350	12.8
285.16864	4.7
297.22171	3.3
299.23886	16.8
301.21570	6.1
315.23059	3.3
317.24765	15.7
333.24146	8.7
335.25720	10.0
431.12839	3.3
433.30780	6.8
451.32132	17.0
469.33005	14.1
476.48889	3.6
480.21689	3.7
487.33920	12.4
515.37128	7.6
525.35919	28.4
543.36841	100.0
561.37915	72.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	1.5
57.32408	0.4
61.02918	0.7
64.25069	0.4
67.05484	1.3
69.03440	5.1
70.06582	1.0
70.72533	0.4
71.04958	0.7
71.61540	0.6
73.02917	1.1
81.03403	1.6
84.08138	0.8
85.02911	7.0
86.09666	0.5
87.04456	1.4
97.02905	3.2
104.83297	0.5
109.02850	1.2
115.00977	0.5
115.03923	0.8
124.11229	1.0
125.09597	0.5
127.03883	1.9
134.04613	6.4
145.04959	0.8
152.05658	1.7
153.01825	1.5
165.02318	5.5
167.02611	0.6
175.09792	1.0
176.97641	0.5
181.05437	1.2
182.04964	100.0
185.08136	0.5
190.03021	1.1
194.04884	3.2
200.09352	1.5
201.10199	0.5
205.05457	2.9
216.04694	2.2
218.05113	0.6
219.06969	1.5
221.08582	1.1
224.05971	1.1
231.06979	12.5
248.09663	26.6
262.46744	0.6
266.10706	58.0
314.09311	1.2
380.13956	1.1
398.14926	9.7
428.16022	47.2
429.16125	0.7
560.20184	29.1
561.19037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.0478
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03429	0.6
81.03407	1.8
82.17190	0.6
91.67881	0.5
97.02908	0.8
98.97575	0.7
100.88869	0.6
101.00899	1.0
101.36469	0.7
109.02854	1.1
119.01936	1.8
120.95452	0.8
131.01964	0.8
133.03413	0.8
138.96405	0.9
143.01923	2.0
145.03479	1.3
155.01926	1.2
156.97490	4.7
157.03490	1.3
161.02934	1.5
171.05070	0.6
173.02983	1.6
174.98546	3.5
179.02098	0.7
180.97440	13.1
180.98874	1.0
182.99051	0.7
185.02972	2.1
194.98981	0.9
198.98543	100.0
199.98700	1.3
201.00122	1.0
203.04048	0.6
210.98561	2.8
213.00079	2.1
215.03810	0.6
216.97563	0.8
216.99586	21.6
222.00165	1.6
222.98604	1.3
223.06569	1.3
225.00113	1.4
228.99600	8.3
231.02971	1.1
234.98511	3.4
240.99564	15.2
243.01289	0.9
245.05049	4.4
247.00609	0.7
252.99617	1.7
259.00418	6.0
263.06332	0.9
271.00659	1.3
272.70853	0.5
275.06024	0.6
277.03696	3.6
278.04050	1.0
283.00693	9.0
301.01697	33.2
303.01361	2.2
319.02768	4.7
321.10284	2.3
342.04480	0.6
343.02859	1.1
373.03577	0.8
403.19876	0.8
457.08664	0.6
463.07019	48.2
464.07233	1.2
481.08218	1.1
561.09290	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68525	0.7
55.01866	0.9
56.66913	0.8
61.01146	4.8
61.02915	1.1
65.03934	2.6
66.83556	0.7
69.03421	1.7
70.06609	0.9
70.86162	2.2
72.04527	5.7
78.03790	13.3
80.69025	0.7
81.03387	1.2
85.02904	4.5
85.06535	1.4
88.02199	2.3
95.04952	0.8
96.47849	0.7
97.02861	2.2
98.02443	1.0
99.05560	1.7
102.03769	19.4
103.02169	0.9
109.02904	1.3
113.06001	1.4
114.03760	2.5
120.04791	2.3
121.02866	97.0
124.07561	1.2
131.06377	12.5
132.04802	13.0
142.08665	4.6
145.04959	1.3
149.07446	82.5
150.05513	5.8
153.01828	1.1
159.05865	1.9
176.72253	0.8
181.03008	0.9
184.09706	1.8
191.08537	0.8
192.04915	1.6
192.06552	22.4
223.36652	0.7
236.85757	0.8
243.11745	1.6
261.12708	17.3
269.09549	100.0
311.10736	1.6
381.14807	30.7
427.03220	0.9
431.14728	2.4
543.19885	1.9
561.19202	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.9
55.01862	6.4
55.05509	52.1
57.03429	6.4
57.07068	14.7
65.03953	3.9
67.05506	83.7
67.06088	3.4
69.03419	4.5
69.06710	4.8
69.07072	74.7
69.69627	19.3
71.04984	10.2
71.08628	4.0
74.81952	3.2
76.46505	3.1
79.05497	51.7
81.03419	6.8
81.07061	100.0
81.83514	3.0
83.04973	10.4
83.08621	52.3
85.06554	7.8
91.05485	44.6
93.07047	61.9
95.04955	13.4
95.08039	5.2
95.08611	70.2
97.02905	7.6
97.06517	16.0
97.10172	49.1
98.20728	6.4
99.08089	6.1
103.05464	4.7
103.90679	3.2
105.07040	45.5
107.04959	8.2
107.08585	35.0
109.06520	9.1
109.10174	31.5
111.04504	3.2
111.08077	8.7
111.11705	17.2
117.07020	12.2
119.08586	29.5
121.06557	4.6
121.10139	37.6
123.08061	7.2
123.11717	12.6
125.09614	7.2
125.13304	6.7
129.07024	4.9
131.08575	17.8
133.10150	33.4
135.08064	5.1
135.11691	31.9
137.09644	4.2
137.13243	8.5
139.11137	9.2
143.08624	4.0
145.10115	10.6
147.08075	3.6
147.11708	22.7
149.09599	3.4
149.13222	17.3
151.11182	7.7
151.14867	6.0
153.12714	11.0
157.10117	5.8
157.12331	6.5
159.11711	10.8
161.09579	4.7
161.13330	17.5
165.12691	8.8
173.13234	3.7
175.11301	4.0
175.14786	10.3
179.14305	11.3
183.11685	4.1
193.19511	8.0
195.14055	3.5
217.19519	47.2
223.13300	9.8
227.12796	4.5
235.20596	64.4
235.22800	2.4
253.21625	73.2
271.22668	30.7
273.18445	10.2
291.19592	44.7
395.93256	3.9
449.30295	4.2
452.54483	3.5
505.45096	3.3
527.37207	6.8
541.35236	9.3
559.28363	6.1
559.36316	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	559.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	8.4
55.01867	3.9
55.05515	33.2
56.58828	2.0
57.03437	12.6
57.07074	5.0
62.70985	2.3
65.03944	6.5
67.05505	91.5
68.06841	2.3
69.07065	21.5
71.04993	3.7
71.08617	3.2
71.62144	4.0
79.05492	93.9
79.05955	4.6
81.03428	11.1
81.07057	89.0
83.04983	20.1
83.08613	8.9
85.06529	3.6
86.59013	2.3
91.05480	67.8
93.07044	100.0
95.04974	23.1
95.08027	4.8
95.08607	56.3
97.06528	9.0
97.10175	4.1
99.08112	5.0
105.04535	2.9
105.07034	53.6
107.04980	6.2
107.08594	34.5
109.06493	5.9
109.10146	22.5
111.04436	2.3
111.08040	3.2
115.05447	2.5
117.07009	17.2
119.08572	38.7
121.06507	2.7
121.10144	25.0
123.08047	5.1
123.11703	6.2
125.09602	2.9
127.13110	2.2
128.06242	3.7
129.07016	18.1
130.07742	2.5
131.08572	17.5
133.10114	21.6
135.08061	2.7
135.11705	13.7
143.08600	14.8
145.10110	18.5
147.11671	38.0
149.13266	5.8
156.09328	4.4
157.10117	7.4
159.11697	7.8
161.13289	14.4
163.14801	2.7
171.07166	2.2
171.11702	34.2
173.13281	8.2
179.14304	4.7
181.93059	2.5
181.94647	2.4
185.13181	4.0
187.14836	3.3
189.12796	9.2
199.14789	3.4
207.13763	24.1
261.22168	10.0
279.15884	4.8
281.17456	47.0
335.25781	56.1
386.56360	2.8
467.35233	5.4
485.35965	5.2
541.38892	59.6
559.40247	24.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02610	1.9
53.03962	11.4
55.01867	3.8
55.05516	27.0
55.54340	2.0
56.72819	2.0
57.03430	13.1
65.03920	4.8
67.05505	96.9
69.07069	17.6
70.28004	8.0
71.04962	3.1
72.92546	1.9
77.03892	2.6
79.05493	100.0
80.81132	1.9
81.03406	8.4
81.07055	76.4
83.04987	13.4
83.08620	12.3
83.59401	1.9
85.06551	4.9
91.05479	64.3
93.07046	94.7
95.04964	19.7
95.08603	59.6
95.09216	2.7
97.06531	6.1
97.10139	5.2
99.08071	2.9
105.07032	50.4
107.04938	8.3
107.07945	3.3
107.08602	33.7
109.06480	5.1
109.10170	19.8
111.08073	2.7
117.07019	14.4
119.08577	33.3
121.10133	18.7
123.08086	8.5
123.11704	4.2
128.06204	3.1
129.07002	17.3
131.08554	15.6
133.10132	16.6
135.11674	14.3
141.07063	2.5
143.08551	10.6
145.10121	18.9
147.07999	4.3
147.11691	40.3
149.13220	6.7
157.10138	2.8
159.11678	7.7
161.09589	3.8
161.13234	16.3
165.23186	2.2
169.10063	2.9
171.11714	23.1
172.02043	2.1
173.13280	6.2
175.14857	2.7
185.13286	3.8
187.14836	3.1
189.12727	9.8
207.13812	25.5
243.20943	2.5
261.22241	11.1
269.64920	2.4
279.15851	7.4
281.14612	3.9
281.17462	49.2
335.25821	56.8
437.12900	2.5
449.34183	3.0
467.35205	3.1
513.70612	2.2
532.22101	2.1
540.08099	2.4
541.38916	70.5
559.39777	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	559.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
53.46807	3.5
55.01859	12.2
55.05299	4.6
55.05516	60.2
57.03431	13.1
63.82755	3.7
65.03922	4.6
65.10546	3.4
67.05505	83.0
69.03455	6.7
69.07073	39.0
69.44486	10.1
69.44891	27.2
71.04985	7.5
79.05502	73.9
81.03424	29.6
81.07060	86.3
83.04974	18.0
83.08617	27.3
85.02894	5.5
91.05482	84.6
93.07047	69.7
94.04356	3.6
95.04990	21.4
95.08601	43.2
97.02859	6.5
97.06527	14.0
97.10175	29.1
99.08085	4.3
105.07035	71.1
107.04937	16.8
107.08615	38.0
109.06506	9.5
109.10158	19.5
111.08095	8.7
117.07017	35.9
119.08591	53.0
121.10152	21.0
123.04471	4.3
123.08078	7.0
125.09662	30.5
129.07036	24.8
131.08574	37.3
133.06459	4.0
133.10133	34.6
135.08047	8.5
135.11688	15.9
137.09668	5.8
141.06949	7.0
142.07753	4.9
143.08539	20.2
145.06465	8.0
145.10126	37.3
147.08055	6.0
147.11717	22.2
149.09637	10.7
149.13275	10.9
153.12746	5.1
155.08571	13.7
157.10138	20.8
159.08058	5.5
159.11687	22.3
161.13289	14.9
163.11185	12.7
167.08595	5.1
169.10155	11.2
171.10277	5.3
171.11646	20.6
173.09711	9.5
173.13300	13.3
175.11221	8.5
175.14835	8.1
177.12769	6.2
179.14282	5.4
183.11775	8.7
185.13275	17.9
189.11302	20.5
189.12769	7.0
193.12303	8.3
195.11731	8.1
197.13286	10.7
199.14801	8.6
213.12840	4.8
227.12788	37.0
241.19466	8.1
257.19162	5.7
259.20584	17.4
267.15781	9.3
273.18576	7.3
273.21695	3.9
275.20139	23.9
283.15378	14.9
291.19385	18.2
293.21252	7.4
297.22101	21.5
313.21747	5.4
315.23267	19.1
333.24341	8.9
349.23810	7.4
420.82367	4.2
431.29456	11.8
449.30569	17.6
467.32028	19.5
485.32574	19.1
499.30127	3.9
513.35748	8.1
523.34473	12.0
541.35266	100.0
545.18170	4.1
559.36487	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	19.5
57.03430	15.8
57.07083	43.2
62.29719	5.3
67.05511	28.2
69.03432	3.8
69.07072	14.6
69.39768	36.1
70.06595	7.8
71.08618	25.0
79.05502	24.4
81.03416	53.9
81.07050	38.6
81.41617	4.3
83.04970	9.9
83.08620	25.2
85.02906	15.9
85.10185	16.1
87.04436	5.0
89.06034	13.0
91.05476	27.1
93.07047	17.3
95.04971	17.6
95.08611	30.7
97.10171	8.5
105.07033	23.9
107.04975	4.8
107.08566	6.5
109.10194	9.9
109.22475	4.3
111.08063	7.2
119.08578	12.6
121.10143	4.5
129.07030	9.0
131.08560	8.6
132.28726	4.6
133.08603	4.3
133.10130	14.7
147.11676	11.9
157.10185	7.8
175.11281	8.6
193.12245	40.0
193.38689	4.8
211.13295	68.7
267.15900	12.6
284.26785	7.0
285.16986	68.4
285.27048	6.1
300.28824	6.5
313.27353	100.0
505.38818	19.4
523.39996	67.5
558.53607	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	558.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46058	1.2
59.34563	1.3
67.52353	1.1
68.36532	1.2
69.03423	2.5
70.06584	1.9
70.07597	6.1
79.05476	2.5
81.03429	3.1
82.06636	1.4
82.59035	1.5
85.02905	4.7
89.55694	1.3
91.05473	5.4
91.06823	1.6
93.07044	1.5
96.08126	2.1
97.02882	2.0
97.96798	1.4
98.09697	1.8
98.21454	1.5
103.05452	4.3
105.07002	3.4
107.04965	9.2
109.02885	1.9
115.05473	2.0
119.04974	2.7
119.08564	2.6
121.06532	1.8
124.11230	100.0
125.11551	1.7
127.03917	4.9
129.07014	1.7
130.90591	1.3
131.04913	2.9
132.05659	1.2
133.02887	1.9
133.06490	3.6
137.05974	20.7
145.06552	1.6
147.04407	4.5
147.08049	14.8
149.05974	4.1
151.07539	7.7
153.01846	5.9
161.05975	17.3
161.09645	4.3
163.07552	11.9
175.07573	2.9
177.05536	1.4
179.07031	4.9
181.08560	1.5
189.09088	10.1
190.03322	1.5
191.07086	1.9
207.10144	16.8
229.08733	1.5
276.66623	1.5
279.87393	1.4
287.12665	2.1
291.08905	1.3
291.12253	2.2
311.11053	1.3
313.14313	2.8
331.15421	6.9
558.23315	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32953	1.6
57.03437	3.0
57.07093	2.0
57.30508	1.8
65.03936	2.5
67.05500	5.7
69.03423	4.1
69.07044	2.6
70.06601	3.8
71.05009	2.3
71.20702	2.8
79.05490	8.5
81.03407	3.2
81.07047	3.9
82.06593	3.0
85.02915	6.8
91.05480	24.4
93.07047	6.7
95.04975	4.1
95.08621	4.0
96.08136	4.0
97.02917	3.5
98.09686	3.6
103.05479	9.0
105.07031	11.7
107.04961	35.8
107.08620	9.1
109.02897	2.8
109.06516	2.8
115.05434	4.4
117.07018	4.2
119.04945	9.0
119.08581	10.3
121.06509	9.5
122.03654	3.0
122.75096	1.7
123.08064	3.6
124.11235	100.0
125.26392	1.7
127.03934	7.0
129.07019	4.8
131.04929	12.5
131.08577	27.4
133.02899	4.7
133.06483	8.7
133.10107	2.4
135.04422	2.2
135.08089	6.5
137.04980	3.8
137.05981	55.6
145.06494	4.6
145.10133	6.6
147.04454	9.9
147.08057	61.5
147.11731	2.2
149.06027	9.1
149.09624	9.9
151.07542	33.5
153.01813	22.1
157.06490	3.0
161.05997	55.9
161.09621	13.0
162.06767	5.0
163.07538	29.3
165.06860	2.1
165.09120	4.5
167.07167	2.8
167.08525	3.0
171.08157	2.8
174.06837	3.1
175.07590	5.6
177.09167	2.4
181.08640	7.7
189.09137	37.8
189.12798	6.9
191.10674	7.9
195.08092	4.5
207.08208	3.0
207.10182	60.4
207.13847	3.9
208.14142	3.2
209.11722	37.1
219.10185	3.9
221.09641	2.2
223.07503	2.0
225.29503	1.8
227.10710	6.3
227.14255	9.2
244.16945	6.9
253.08665	4.3
253.12291	2.0
255.10178	6.8
265.08600	2.4
269.07956	2.4
277.04999	2.4
285.11230	6.7
287.12790	17.4
297.05939	2.3
297.11203	4.5
299.13010	2.7
311.12921	11.7
313.14352	17.6
331.15408	40.2
343.15570	4.6
558.23401	53.4
558.31519	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	558.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89334	0.3
53.03931	0.3
54.26300	0.3
55.01849	0.3
69.03410	0.5
70.06600	0.7
71.46742	0.7
79.05495	0.6
81.03407	1.1
82.06587	0.3
85.02879	0.7
86.96192	0.3
91.05483	8.9
96.08115	0.4
97.02868	0.6
98.09699	4.4
99.04434	0.4
101.51551	0.3
102.66982	0.3
103.05428	0.3
105.07083	0.5
107.04956	8.5
109.02866	0.7
117.07029	0.9
119.08588	11.4
124.11230	4.8
126.09836	0.4
127.03931	0.9
129.06992	1.1
132.05725	4.1
138.12959	0.3
143.03377	0.5
145.06517	0.8
147.08051	100.0
148.08394	0.7
153.01842	11.1
153.02922	0.5
171.02965	0.5
192.76981	0.3
232.09778	0.4
244.16971	3.6
277.03229	0.4
297.05963	0.5
472.88733	0.4
514.54211	0.4
558.23383	56.2
559.23657	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2184
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
67.05489	1.4
69.03414	3.6
70.95182	1.9
70.95534	1.8
71.04990	1.5
79.01859	2.3
79.05476	2.7
81.03413	4.9
81.07056	1.2
85.02900	5.1
85.06532	3.5
91.05469	3.7
93.07025	1.4
97.02873	4.5
98.09723	1.1
105.07014	2.8
107.01289	1.7
109.02860	5.9
109.06521	1.2
119.04955	2.5
121.06539	1.2
124.11233	13.8
125.02336	3.5
127.03928	8.6
128.26300	1.0
131.08527	1.7
133.06500	1.8
135.08040	1.6
137.05972	22.3
143.03386	4.6
145.04967	1.2
145.10213	1.2
147.04401	4.9
147.08031	1.8
149.05983	1.8
149.09607	3.2
150.06767	2.9
151.03880	4.4
153.01831	100.0
153.02873	4.4
161.05986	5.8
162.06755	6.0
163.11205	1.0
167.10660	1.2
171.02904	12.9
175.03908	3.4
179.07079	2.3
191.10641	3.2
203.31099	0.9
207.06601	5.2
209.11708	5.1
223.45958	1.1
227.12775	8.8
237.07578	1.4
297.06073	6.4
299.09277	6.6
306.87827	1.1
311.09055	7.8
315.07092	21.8
329.10031	5.0
331.11804	5.0
343.11661	1.8
347.11127	1.3
501.92288	1.1
519.72449	1.1
558.15271	2.2
558.23328	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	1.9
52.17761	2.1
52.44540	2.2
53.03936	5.9
55.01855	4.3
55.05515	30.8
57.03424	6.2
57.07077	2.7
59.45303	2.1
65.03939	3.0
67.05507	55.3
69.03431	2.8
69.06759	2.3
69.07070	23.5
69.33915	5.8
69.34336	14.7
71.04987	3.9
79.05491	44.4
81.03400	5.0
81.07057	51.0
83.04975	5.8
83.08614	12.8
85.06526	3.8
86.52877	2.0
91.04951	3.7
91.05479	51.0
93.06463	2.5
93.07048	44.1
95.04954	9.0
95.08607	38.5
97.06502	6.9
97.10165	6.5
98.21461	3.5
99.96595	1.8
103.05490	2.3
105.07032	46.1
107.04943	8.4
107.08601	25.1
109.06488	5.0
109.10159	13.7
111.08088	4.9
115.05439	2.9
117.07014	22.8
119.08584	33.4
121.06480	4.4
121.10114	14.7
123.08044	5.4
123.11709	3.0
128.06194	4.7
129.07014	22.2
130.07817	2.2
131.08580	35.9
133.06544	2.2
133.10127	26.7
135.08052	3.7
135.11678	13.9
141.07037	9.5
142.07765	4.9
143.08583	26.3
145.10127	32.5
147.08014	2.1
147.11687	19.7
149.09608	5.7
149.13243	6.3
154.07808	2.3
155.08546	27.0
156.09254	3.2
157.10126	20.9
159.08060	3.3
159.11700	20.4
161.09636	4.0
161.13272	14.4
163.11153	5.3
163.14729	2.2
167.07117	2.0
167.08560	10.7
168.09261	2.3
169.10158	23.7
171.11673	25.0
173.09550	2.2
173.13298	14.7
175.14842	6.4
179.08524	3.5
180.09322	2.4
181.10132	14.9
183.11676	19.2
185.09624	2.6
185.13281	14.2
187.11125	4.3
187.14793	6.1
189.12720	4.3
193.10236	2.9
195.11676	12.0
197.13245	15.4
199.14789	10.3
201.12796	2.1
201.16446	4.3
207.11812	3.6
207.13722	5.1
209.13303	11.9
211.14783	7.2
212.24591	2.2
213.16393	10.8
221.13185	3.0
223.14813	7.0
225.16376	5.6
227.12640	4.3
237.16368	2.7
239.17915	2.5
241.19516	6.7
247.14720	2.1
247.16927	3.5
249.16313	3.0
257.18967	3.1
259.20599	12.9
275.20081	8.2
281.17450	10.6
295.20450	2.4
297.21985	2.5
299.23505	2.3
307.20331	2.2
323.23755	4.4
327.23209	2.8
333.24191	6.4
337.25177	2.7
339.23212	4.4
351.22849	2.1
367.26395	3.2
419.32977	4.1
429.31299	5.4
437.33868	13.0
447.32617	25.7
465.33667	28.0
483.34631	23.5
501.35733	2.7
503.35162	3.7
511.37894	3.0
521.36517	10.6
527.37329	3.2
529.38995	5.8
539.37408	100.0
540.37305	3.2
557.38763	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	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	10.5
55.01864	4.5
55.05253	2.5
55.05511	29.3
57.03440	7.7
57.07066	7.0
65.03960	5.2
67.05160	4.4
67.05504	70.3
69.03425	3.0
69.07076	16.3
69.84183	13.6
71.04987	6.0
79.05495	48.8
81.03416	9.9
81.07058	61.3
83.04983	9.3
83.08614	11.0
85.06542	2.6
89.06027	7.8
91.05479	37.1
93.07050	47.8
95.04966	14.9
95.08613	35.0
97.02865	2.8
97.06539	7.3
97.10166	10.0
99.04466	2.5
103.05475	4.4
105.07034	73.5
106.07383	10.5
107.04933	12.7
107.08592	32.2
109.06541	3.7
109.10159	23.5
111.08100	4.0
113.26296	2.2
117.07027	24.4
119.08573	21.3
121.06518	8.1
121.10152	16.7
123.08086	5.2
123.11736	3.9
125.09652	6.5
128.06226	3.5
129.06999	12.2
131.08563	26.2
133.08624	2.5
133.10149	17.4
135.11681	11.5
137.09625	2.4
141.06992	6.5
142.07751	4.0
143.08556	16.4
145.10141	23.6
147.08127	3.0
147.11658	9.9
149.13274	6.9
155.08562	7.1
157.10121	13.0
157.56950	2.1
159.08047	2.1
159.11694	17.9
161.09735	3.1
161.13312	6.6
167.08644	3.2
169.10152	7.7
171.11627	10.4
173.11865	3.7
173.13284	10.5
179.47482	2.2
181.10184	4.1
183.11699	6.0
185.09741	2.9
185.13290	7.8
187.11174	3.0
187.14879	3.2
195.11751	5.3
197.13153	4.2
199.14925	6.9
205.12187	3.8
209.13292	4.9
211.14897	4.2
223.13278	25.4
223.15094	2.7
227.12773	16.6
228.13153	6.7
239.23448	2.4
252.57048	2.3
261.22116	5.6
279.16034	3.6
299.20172	2.4
311.23630	5.0
313.25269	3.1
315.23102	2.9
329.24860	3.1
331.18945	3.0
351.14081	2.5
429.31393	3.0
447.32266	5.8
465.33868	11.4
483.34543	8.3
529.39191	3.7
539.37335	28.6
557.38403	100.0
557.52631	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	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01611	1.9
51.02371	2.0
53.03941	11.3
54.77414	1.8
55.01871	20.2
55.05514	32.7
57.03439	5.1
57.07082	2.8
58.93175	1.5
59.25439	1.7
65.03953	4.2
65.11546	1.5
67.05508	52.1
69.03427	3.2
69.07075	36.8
70.99922	2.0
71.00271	2.7
71.04992	5.2
79.05495	60.3
81.03424	19.9
81.07060	68.9
83.01349	4.9
83.04991	18.7
83.08626	16.9
85.02917	3.0
85.06577	2.0
91.05486	72.3
91.89386	1.5
93.07048	56.9
95.01330	14.6
95.04978	24.1
95.08614	40.2
95.09228	2.2
97.02921	2.9
97.06535	26.1
97.10194	6.7
103.05478	3.7
105.04548	3.1
105.07036	93.4
107.04962	29.3
107.08601	30.9
109.06528	11.8
109.10151	9.6
111.04469	2.7
111.08106	4.2
113.09631	1.6
115.05465	1.6
117.07027	21.3
119.04985	2.0
119.08588	48.8
119.46059	1.8
121.06515	7.0
121.10147	11.2
123.04392	3.1
123.08058	9.7
123.11706	2.6
125.09647	3.5
129.07013	5.8
131.08578	31.1
133.10138	48.1
135.08090	6.1
135.11726	14.3
137.09639	1.9
139.07565	2.6
141.06992	2.7
143.08531	7.7
145.06520	4.2
145.10138	32.3
147.08063	3.4
147.11703	18.8
149.09634	7.3
149.13264	5.5
155.08588	2.1
157.10161	6.0
159.11725	12.7
161.09660	2.4
161.13249	8.8
163.11217	20.4
165.09128	2.3
169.10199	5.6
171.11748	5.4
173.09659	2.2
173.13286	4.5
177.12776	5.1
179.14308	21.3
181.12268	2.5
183.11768	3.1
187.11212	4.3
187.14792	2.6
197.13373	3.5
205.12216	2.1
209.11711	3.4
213.92188	1.8
215.18057	2.3
219.19331	1.6
229.19473	1.9
233.15404	1.9
239.17801	3.0
247.20493	3.7
257.18961	9.8
275.20071	100.0
276.20419	2.4
293.21191	6.4
349.23727	3.5
557.34784	52.9
575.37439	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	557.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	2.5
53.03933	7.0
55.01883	9.5
55.05510	27.2
57.03432	4.6
60.64526	1.7
60.95215	1.5
65.03926	3.1
67.05167	2.3
67.05507	37.5
69.03413	7.9
69.07069	22.8
71.04987	4.1
72.40096	1.6
73.16867	1.8
73.98389	2.0
79.05498	38.3
81.02968	2.6
81.03420	36.4
81.07062	42.5
83.04982	10.5
83.08624	14.0
85.02913	2.2
85.06525	2.0
91.04952	2.8
91.05484	38.9
91.39655	1.8
93.07043	28.7
95.01416	2.0
95.04966	18.7
95.08598	16.0
97.02898	6.0
97.06548	5.4
97.10180	12.2
98.21520	3.9
105.07029	30.6
107.04961	14.0
107.08610	22.6
109.06527	7.1
109.10146	12.1
111.04482	2.0
111.08099	4.4
115.05495	2.7
117.07028	14.7
119.04916	1.9
119.08578	19.7
121.06516	8.3
121.10124	8.7
123.08091	8.0
125.09627	11.7
128.06232	2.0
129.07004	9.9
131.08572	20.7
133.06505	5.5
133.10123	12.5
134.07272	1.6
135.08066	5.8
135.11697	6.5
137.09604	2.5
141.06967	3.8
142.07819	2.3
143.08591	7.4
145.06445	4.6
145.10136	16.2
147.08049	7.8
147.11717	8.6
149.09628	7.3
149.13312	2.7
153.09158	1.7
155.08565	3.3
157.10118	8.2
159.08069	3.8
159.11749	5.4
161.09628	2.9
163.11234	7.9
167.08681	2.4
169.10144	5.2
171.11693	3.9
173.09572	2.6
173.13251	2.5
175.11226	4.2
177.12839	2.9
183.11708	3.7
185.13281	2.9
187.11179	2.5
189.11270	7.6
189.12784	2.3
193.12311	6.0
197.13188	1.7
199.11047	2.1
201.12741	2.2
205.12265	2.0
213.12827	2.9
217.12393	1.8
219.13860	7.7
223.13249	9.8
227.12723	10.5
229.19466	2.1
257.19064	4.0
273.18530	10.1
275.20074	14.3
291.19540	43.2
293.21182	2.0
313.21533	6.8
347.22525	2.3
429.27826	2.8
447.28946	3.3
465.30310	5.9
483.31122	4.9
498.15814	2.0
539.33698	18.8
557.34747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	7.7
55.42149	1.9
57.03441	3.1
57.06817	2.4
57.07077	26.9
58.99355	1.8
67.05509	8.9
69.07048	6.5
70.06599	12.9
70.89304	2.0
70.89619	3.3
71.08629	15.1
78.42356	1.6
79.05482	6.1
81.07063	16.0
83.08616	8.2
85.06506	1.8
85.10167	9.3
86.09706	3.0
88.07626	7.1
89.06036	20.3
91.05500	4.4
93.07027	13.0
93.29121	1.6
95.02576	1.7
95.04963	2.1
95.08606	19.4
97.02905	2.3
97.10165	2.3
99.01753	1.9
102.09171	4.5
105.07046	3.0
107.04964	3.6
107.08588	8.4
109.10159	4.4
119.08586	5.1
121.10165	5.4
123.69974	2.0
132.10210	4.2
133.08586	11.9
133.10184	2.1
135.11688	12.1
145.10085	8.8
146.11775	4.5
150.62180	2.0
163.11194	18.1
177.11232	4.8
181.12270	1.8
203.73160	2.0
212.23941	1.9
227.12808	30.8
256.26514	9.0
272.26007	2.1
283.15335	20.0
283.26331	39.6
300.28967	21.4
311.29434	5.8
313.27371	40.7
371.22983	3.4
436.30920	2.0
521.38409	32.6
556.53015	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01883	0.4
55.05518	0.6
56.05037	2.7
56.96578	0.3
57.03438	0.3
60.13950	0.2
61.02941	0.4
65.03947	0.5
67.05511	1.8
69.03448	1.7
69.07088	0.5
71.04997	0.7
71.47447	0.5
71.83621	0.3
79.05492	2.6
80.17259	0.3
81.03429	1.1
81.07056	1.9
82.06583	0.9
83.04975	0.4
84.08148	100.0
85.02910	3.2
85.06531	0.4
85.08475	0.3
86.09709	0.4
91.05481	3.6
93.07049	2.7
93.53786	0.2
94.04215	0.4
95.04992	0.7
95.08607	1.2
97.02856	1.2
97.06532	0.5
98.09661	0.3
98.97574	0.3
99.04456	0.8
103.05484	0.6
105.07050	2.0
107.04967	0.6
107.08613	2.0
109.02887	1.1
109.06515	0.4
109.10168	0.5
111.04423	0.3
111.08077	0.4
112.07603	0.3
115.05468	0.3
117.07042	0.8
119.04926	0.5
119.08593	1.4
121.06520	0.5
121.10104	1.3
122.03677	0.7
122.05975	0.3
123.04449	0.4
123.08093	0.4
124.11248	0.5
125.06036	0.3
127.03923	2.3
128.06242	0.4
128.07114	0.5
129.07039	0.6
129.10269	1.3
130.07686	0.6
130.08649	9.2
131.04958	0.5
131.08574	1.0
133.10121	1.2
135.04416	0.6
135.08052	0.6
135.11743	0.7
137.05986	8.3
138.09161	0.3
143.08612	0.6
145.04932	0.7
145.10127	0.7
147.04402	1.2
147.08035	0.3
147.11314	2.8
149.05972	0.6
149.09599	0.5
150.57283	0.3
151.03925	2.9
151.07568	0.9
153.01837	0.8
153.05464	0.6
160.05226	0.6
161.05998	0.5
161.09645	0.5
163.06087	0.5
163.07584	0.7
163.11159	1.4
165.05511	0.5
167.07068	1.0
169.06419	0.3
171.08073	0.3
171.11719	0.3
173.09630	0.3
175.07574	0.9
176.10789	0.3
177.05565	0.6
178.06372	0.4
181.05028	0.4
181.12267	0.3
187.07582	0.4
187.14714	0.3
189.09064	0.6
191.10699	0.8
195.06480	0.6
196.07414	0.3
201.09184	0.3
213.16341	0.5
219.10074	0.4
220.16920	0.2
231.17538	0.5
233.09724	0.6
250.09840	0.3
251.10699	0.3
253.12302	0.3
261.09097	0.6
271.06024	0.7
272.06299	0.3
283.13312	0.4
293.11752	0.6
311.12747	1.5
314.24866	1.4
314.28299	0.3
317.11270	0.7
318.11551	0.9
331.27469	0.3
332.25879	3.8
333.24173	0.5
347.09244	0.4
349.28317	0.3
353.15933	0.8
365.28146	0.3
377.28036	2.9
395.24228	3.3
395.29034	44.3
396.29523	0.8
404.06058	0.3
441.31064	0.4
471.94226	0.3
473.30179	0.5
525.20721	1.8
557.10626	0.3
557.21033	2.4
557.29041	4.2
558.81726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03942	1.1
57.07058	0.3
61.97240	0.3
72.08160	0.6
77.03930	0.3
79.05495	4.7
79.95110	0.3
81.07065	0.3
87.04472	1.2
89.06037	6.7
91.05489	1.2
93.07064	2.0
95.04965	1.7
103.05474	4.2
105.07034	100.0
119.08574	0.3
119.82877	0.3
121.06508	8.5
121.07358	0.5
131.08592	0.5
133.08611	2.8
139.07544	0.6
147.08060	0.8
165.09122	5.3
177.11154	0.3
181.89099	0.3
194.52274	0.3
195.77023	0.3
199.27287	0.3
209.11795	0.4
209.13327	3.0
223.11125	0.4
227.12791	36.7
235.13268	0.4
238.66954	0.3
251.14348	0.7
283.26273	0.3
327.17349	1.0
331.19037	8.1
433.23804	0.5
435.25406	0.4
556.45227	0.4
556.53107	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03948	1.1
55.20500	0.2
57.07060	0.3
57.48036	0.2
72.08146	0.3
74.18531	0.2
77.03958	0.7
78.19476	0.3
79.05496	4.7
87.04469	0.7
89.06030	6.9
91.05484	0.7
93.07046	1.8
95.04976	1.5
98.21477	0.6
103.05473	4.3
104.38684	0.2
105.07035	100.0
106.07371	0.3
117.77752	0.3
119.04975	0.3
121.06516	7.8
129.07033	0.3
131.08568	0.6
133.08615	2.8
139.07576	0.6
147.08095	0.5
165.09117	4.6
167.10803	0.3
177.11314	0.3
209.11694	0.3
209.13280	2.6
223.11150	0.3
227.12793	35.7
228.13080	0.3
235.13040	0.3
251.14319	0.9
312.76205	0.2
327.17340	0.8
331.19028	9.0
433.23694	0.5
435.25513	0.5
556.53070	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.1
55.05504	5.9
57.01770	1.9
57.03441	3.5
61.02938	1.8
67.05493	8.6
67.05820	1.7
67.43745	1.7
69.03429	9.1
69.07063	3.5
70.06593	31.4
71.04971	5.3
71.06902	2.3
71.61678	2.2
73.02882	2.3
79.01830	3.1
79.05486	7.3
81.03424	10.4
81.07053	16.5
81.57961	2.0
82.06570	5.2
83.08658	3.4
85.02908	19.8
89.58855	1.9
91.05470	11.3
93.07067	9.2
95.04920	2.4
95.08619	23.6
96.08109	3.0
97.02905	12.2
97.06516	4.8
97.10165	3.2
98.09693	4.5
98.97556	1.9
99.04458	4.2
99.08078	2.9
105.07043	13.1
107.04937	3.2
107.08582	5.1
109.02875	9.0
109.10162	2.5
110.09698	2.6
111.08064	2.0
119.04922	4.6
119.08569	13.3
121.06493	2.9
121.10117	6.3
123.08067	5.5
124.11246	17.9
125.02341	4.1
127.03919	16.8
127.08657	6.5
133.10110	10.2
135.11682	6.6
136.07635	1.8
137.05959	6.6
137.13214	6.5
138.09148	3.9
143.03442	2.7
145.04926	7.5
147.04410	11.5
149.09605	2.1
151.07567	3.2
153.01836	100.0
153.02884	3.5
161.09778	2.1
161.13261	35.2
166.08588	5.2
171.02968	14.8
177.05397	2.6
177.09109	2.0
178.08665	2.7
179.14316	47.1
192.83202	2.3
193.06490	1.8
197.15375	31.0
204.06476	2.0
207.13754	5.5
214.08942	2.3
215.16391	6.7
218.08165	3.2
226.14217	2.0
237.02847	2.7
245.46078	1.7
247.61011	2.2
270.10776	2.4
271.06021	7.2
286.16650	2.3
297.05957	4.3
315.07040	20.0
323.18436	4.8
341.19791	2.1
359.12589	2.4
421.20862	5.5
543.83008	2.3
556.21765	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	556.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98606	1.0
53.03957	1.7
55.01867	1.3
55.05513	4.7
56.05039	1.3
56.96555	1.0
57.03440	2.8
59.04990	1.1
61.02914	1.4
67.05489	1.7
69.03439	10.8
69.36948	8.0
70.06598	3.6
73.02939	1.8
75.62634	1.2
79.05515	2.5
81.03437	4.9
81.07058	3.1
82.06593	18.7
83.04996	1.5
85.02914	14.1
86.09731	2.4
87.41948	1.3
91.05481	6.1
94.04195	2.2
94.06531	1.3
95.04992	1.5
95.08625	2.6
96.08152	2.6
97.02907	5.3
97.08929	1.5
98.09705	32.4
98.20699	2.4
98.97613	1.9
99.04476	2.2
103.05492	3.9
105.07078	5.4
107.04998	5.5
107.08588	1.5
108.05772	1.9
109.02913	4.0
109.06541	1.8
110.09686	1.7
115.05418	1.3
117.07036	1.2
119.04974	2.1
119.08582	2.3
121.02879	1.3
121.06515	4.9
121.10172	1.7
122.03642	5.4
124.11240	100.0
127.03942	6.9
131.04922	6.2
132.72429	1.0
133.06502	19.4
135.08069	2.7
136.05243	5.8
137.05988	92.3
138.05510	1.9
138.09131	2.4
142.12279	9.5
145.06502	3.7
146.07239	3.1
147.04456	3.0
147.08072	11.3
149.05998	1.4
149.09555	2.1
150.06853	1.5
151.07555	84.5
153.01849	11.6
157.06500	2.6
159.08058	1.8
160.08908	1.8
161.05989	2.2
161.13197	1.2
162.03304	1.1
162.06815	1.5
163.07578	9.9
165.09146	8.6
171.02791	1.1
171.08075	3.5
174.06763	1.5
175.07613	1.9
177.09135	27.6
179.03464	6.7
187.07562	1.9
188.08440	1.8
189.09161	6.7
191.10741	2.3
203.10701	8.0
207.10213	2.3
207.13939	1.5
217.12238	3.8
221.11571	1.1
225.05557	1.7
229.04988	1.8
246.07620	2.1
268.15540	1.7
271.06042	41.7
277.56390	1.1
278.13080	2.0
286.16556	12.8
295.06326	1.5
297.07605	62.4
309.14923	16.0
313.07175	2.1
326.15115	6.9
341.17520	40.0
359.18552	4.3
394.16626	2.1
425.12988	1.2
459.12866	10.5
556.21777	89.6
557.22235	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	556.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.0
55.05511	4.9
57.03435	1.5
67.05502	1.1
68.05032	0.7
69.03433	9.0
70.06585	1.7
71.04993	1.3
73.02917	0.9
79.05493	1.7
81.03423	4.0
81.07046	1.6
82.06579	17.8
83.04982	1.5
85.02904	12.0
85.17117	0.7
91.05511	0.6
94.06561	0.7
95.08604	1.6
96.08124	4.1
97.02885	6.5
97.08902	0.9
97.90024	0.6
98.09693	35.3
99.04471	2.5
103.03928	1.2
105.07056	0.7
108.60345	0.6
109.02873	2.6
109.08952	0.7
110.09650	2.8
111.04424	1.0
121.02852	0.8
124.11233	81.5
125.11555	0.8
127.03925	5.4
129.05573	0.5
131.04883	0.7
133.06525	1.4
137.05972	9.1
142.12283	10.2
145.04921	1.1
145.06479	0.9
147.04402	1.3
147.08070	1.3
151.07544	7.4
153.01834	10.0
161.05959	0.9
163.07516	1.0
177.09172	1.4
179.03429	0.9
184.13377	0.7
197.06000	1.9
225.05525	1.8
251.07069	1.7
253.04900	1.5
254.05713	0.9
268.15472	2.7
269.08173	2.3
270.05276	0.7
271.06015	51.9
279.06528	1.4
282.05359	1.3
285.03958	2.9
286.16495	15.9
295.06146	0.7
297.07593	23.8
309.07523	0.8
309.14859	0.8
313.07047	3.2
326.15286	0.8
341.17447	3.4
380.12991	0.6
454.68988	0.7
459.12967	2.0
556.21759	100.0
557.22064	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	556.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01853	0.7
55.05291	0.6
55.05515	7.1
57.03436	1.6
59.05003	0.8
61.02924	0.9
67.05507	1.1
68.05023	0.6
68.99783	0.8
69.03123	0.8
69.03441	11.4
69.07066	0.6
69.71022	3.7
70.06585	2.3
71.01363	0.7
71.04960	1.0
73.02914	1.1
79.05491	1.9
81.03416	5.0
81.07046	2.5
82.06582	19.6
83.04979	1.8
84.08166	0.8
85.02905	13.1
87.04464	0.7
91.05544	0.7
95.08581	0.9
96.08131	5.7
97.02893	8.4
97.06525	0.6
97.08945	0.7
98.09696	33.8
98.20652	0.6
99.04485	4.3
103.03938	1.3
105.07024	0.9
109.02876	3.1
110.09668	1.8
119.04955	1.4
124.11235	82.7
125.11587	0.7
127.03922	6.7
137.05988	0.9
140.10658	0.9
142.12276	13.9
143.03418	1.1
145.06534	0.8
153.01836	23.9
171.02914	2.1
181.52588	0.6
184.13216	0.6
197.05966	1.2
225.05455	2.4
242.17375	0.9
251.07126	1.7
253.05029	2.7
268.15338	3.8
269.05377	0.6
269.08011	3.1
270.05246	0.7
271.06033	47.8
272.06522	0.8
279.06577	0.9
282.05331	1.4
285.04129	3.2
286.16501	19.9
295.06293	0.7
297.07623	11.7
309.07220	0.7
313.07150	2.8
315.07196	2.6
337.06967	0.7
418.41891	0.6
521.47180	0.7
556.21783	100.0
557.22186	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	556.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.2
55.01866	3.3
55.05501	3.3
57.03456	2.5
58.66331	3.4
67.05492	4.3
68.93327	2.8
69.03434	17.1
69.07065	4.9
70.06598	5.5
71.04994	13.5
71.61803	2.6
79.05499	15.9
81.03436	17.8
81.07040	9.8
83.04993	3.4
85.02909	14.6
86.06072	5.1
86.09707	3.2
91.05494	18.6
93.07037	16.6
95.04955	4.0
95.08605	4.7
97.02896	18.2
98.09691	8.4
99.04463	34.8
104.53715	2.8
105.06371	5.6
105.07043	89.7
107.04953	6.0
107.08604	14.5
109.02907	17.4
109.06500	5.8
109.10188	3.6
110.65367	3.1
117.06995	3.4
119.04943	7.1
119.08579	11.8
121.06503	3.8
121.10131	6.9
123.08064	5.1
124.11258	23.7
125.09583	3.2
127.03911	18.5
128.06232	3.5
131.04944	3.9
131.08575	6.9
132.27611	2.9
133.06514	14.9
133.10144	61.7
137.05974	7.3
137.09621	3.4
142.12251	4.6
143.08571	6.6
145.06487	6.8
145.10147	8.5
146.07240	3.7
147.04408	8.8
147.08031	3.2
149.09641	6.1
151.07545	7.3
153.01799	18.7
157.10083	3.2
159.08125	3.0
161.09627	100.0
163.11172	26.0
167.07120	3.1
168.88602	3.1
171.08101	3.9
173.09639	4.1
177.09119	3.7
178.05017	28.1
179.10677	28.3
189.09126	30.4
199.39528	2.9
203.10760	3.5
206.04486	38.7
207.10225	15.8
225.11234	13.2
231.00629	2.8
271.06046	15.8
278.76501	2.8
286.16428	4.7
287.12796	5.1
304.08743	2.9
305.13889	5.6
315.12192	6.2
317.11255	3.0
323.14874	16.4
333.13318	9.8
341.15921	6.8
351.10138	5.0
351.14270	26.0
369.15472	16.8
394.22989	4.3
481.28922	2.7
556.21893	43.5
556.29425	4.1
559.81226	2.9
563.85779	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	556.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29006	0.3
55.01870	2.6
69.03411	1.6
69.44816	2.6
73.02879	0.4
79.97597	0.3
85.02898	1.2
97.02872	0.9
130.06517	1.4
143.07280	2.3
144.07150	0.3
144.08119	3.7
156.08205	0.4
158.09660	3.2
159.86603	0.3
166.31683	0.3
168.08080	5.6
170.05936	0.4
171.06790	1.0
172.07552	4.4
186.09158	20.6
196.07581	0.6
199.06236	1.8
200.07076	5.4
213.07744	0.4
214.08644	7.2
215.09486	0.3
232.09688	82.0
233.10004	0.9
263.08469	0.3
274.10605	0.5
304.11630	0.5
394.14984	100.0
395.15286	1.3
408.02417	0.4
532.45001	0.4
556.20233	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	556.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.3
55.05504	8.4
56.96574	3.8
67.05493	5.5
69.03438	16.9
69.29302	8.3
69.29713	19.3
70.06595	5.8
71.04991	14.0
79.05495	8.9
81.03416	19.4
81.07050	10.1
82.06570	4.9
83.04961	3.9
85.02913	14.7
85.06581	3.4
86.06056	3.8
91.05478	15.9
93.07047	14.7
95.04972	4.0
95.08640	4.1
96.87362	3.0
97.02883	11.3
98.09682	9.7
99.04456	38.6
103.05479	3.1
105.07031	100.0
107.04950	5.6
107.08587	10.2
109.02872	10.5
109.06520	4.0
110.07178	3.4
110.45621	3.0
111.08081	3.9
112.17023	2.4
117.07069	3.3
119.04928	5.8
119.08582	10.8
121.06454	5.5
121.10121	7.9
123.08084	8.1
124.11227	21.4
127.03915	17.8
127.33883	3.1
128.06229	4.4
128.17557	2.6
129.04305	2.6
131.04932	4.6
131.08554	5.4
132.04428	5.1
133.06516	14.0
133.10132	69.2
135.11708	3.2
137.05960	5.5
142.12256	3.9
143.08546	10.4
145.06480	4.2
145.10101	7.6
146.07242	3.4
147.04446	8.4
147.08064	7.0
149.09618	5.3
151.07524	6.7
153.01817	18.1
157.10139	5.6
159.08025	6.7
161.05974	4.0
161.09621	98.8
163.11194	23.2
171.08032	4.4
174.76547	3.4
175.11139	3.3
178.04980	29.5
179.10646	26.0
189.09076	24.9
203.10631	6.2
206.04491	43.4
207.10147	13.0
225.11209	11.2
231.10252	3.1
245.11749	3.4
268.05917	2.9
271.06006	16.7
287.12537	3.6
297.11310	4.1
305.13718	5.9
315.12173	4.1
323.15015	15.8
333.13281	7.8
341.16138	3.6
348.46036	2.8
349.14322	3.6
351.14365	22.4
369.15482	11.3
394.22772	4.5
540.01654	3.0
556.21802	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	1.9
56.35289	0.2
57.03430	0.3
61.02916	0.3
68.76519	0.2
69.03131	0.2
69.03430	2.6
70.40842	0.9
73.02907	0.3
77.03954	0.3
79.44025	0.2
81.03423	0.4
85.02911	1.2
87.04465	0.3
97.02892	0.7
98.69712	0.2
109.02863	0.3
117.05736	0.4
117.06976	0.6
118.06538	0.4
121.02812	0.2
124.11251	0.4
130.06541	1.2
131.08661	0.3
137.79636	0.3
141.06950	0.3
143.07297	1.9
144.08087	4.1
153.01839	0.3
154.06508	0.6
157.08899	0.3
158.06049	0.3
158.09666	4.4
159.07999	0.3
167.07275	0.5
168.08092	6.2
170.06044	0.7
171.06815	0.8
172.07585	5.5
186.09152	18.7
196.07622	0.4
198.09244	0.4
199.06334	1.9
200.07080	5.9
213.07855	0.4
214.08640	6.6
215.09438	0.6
215.55025	0.2
230.70557	0.3
232.09695	80.6
233.10033	0.9
260.09125	0.3
274.10803	0.4
287.70901	0.3
304.11880	0.3
376.13705	0.3
394.14993	100.0
395.14969	1.1
556.20404	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	555.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.9
55.01664	2.1
55.01878	24.6
55.05516	26.4
56.96600	1.6
57.03431	5.0
57.07086	10.4
65.03918	6.1
67.05508	63.4
68.38933	1.9
69.03432	2.0
69.07069	39.1
71.04977	3.3
71.08637	8.4
71.62251	2.6
73.06509	1.7
77.03934	1.8
79.05498	75.8
81.03421	15.2
81.07062	76.8
83.04997	13.5
83.08620	11.9
83.65535	1.8
85.06545	2.9
85.10184	4.3
91.05486	85.2
93.07050	56.1
95.01348	13.4
95.04969	19.1
95.08037	3.1
95.08613	46.7
97.06535	56.0
97.10155	8.4
98.98471	26.8
103.05433	2.6
105.04498	4.0
105.07038	80.6
107.04955	29.2
107.08602	21.4
109.02866	3.2
109.06530	6.1
109.10182	13.1
111.08064	3.7
115.05463	2.3
117.07031	19.0
119.07779	2.9
119.08588	45.7
121.06519	3.8
121.10133	8.9
123.04447	3.3
123.08069	7.1
123.11687	3.5
125.09595	2.2
128.06258	3.2
129.06128	1.7
129.06998	11.2
130.07765	2.2
131.08575	22.0
133.10146	41.0
133.11176	2.4
135.08061	5.0
135.11711	9.5
137.09636	5.1
139.07503	2.4
141.07018	2.2
143.08554	9.1
145.10126	23.5
147.08064	3.3
147.11694	31.1
149.09644	8.7
149.13322	4.2
154.99837	3.0
155.01042	34.9
155.08545	2.1
157.10138	5.5
159.11681	14.2
161.13240	15.6
163.11174	6.8
165.09117	2.9
171.11697	14.7
172.84543	1.7
173.13249	4.5
177.12743	6.0
179.14313	18.4
183.11636	3.0
185.13167	1.7
187.11163	2.6
187.14771	2.2
189.12785	5.3
197.13297	2.7
205.12392	2.1
207.13870	8.0
229.19508	2.8
239.17944	2.9
239.23773	3.9
241.14284	2.1
247.20580	4.1
257.19049	8.0
259.20633	4.0
263.16263	2.2
273.42606	1.7
275.20078	100.0
279.15881	6.6
293.21078	9.4
313.27325	22.5
349.23819	5.1
401.28647	1.9
537.35669	2.3
555.36957	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	1.2
61.74169	1.0
71.59630	1.3
71.60041	1.1
121.60891	1.1
134.06281	0.9
140.06110	1.1
219.71585	1.1
226.18813	1.0
363.07523	1.2
456.77478	1.0
553.11768	100.0
554.12177	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	553.1339
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
52.91280	0.1
53.03923	0.1
65.03942	0.1
66.22282	0.1
67.01862	0.8
68.99792	0.4
69.03423	0.1
69.37640	0.7
69.38046	0.3
71.84703	0.1
79.05491	0.3
81.03421	0.3
81.07034	0.1
85.02883	0.2
86.09680	0.2
89.03930	0.2
93.07055	0.1
95.04962	0.2
95.08649	0.1
97.02889	0.2
105.03382	1.5
105.07034	0.2
107.04956	0.2
107.08631	0.2
109.02897	0.2
116.69025	0.1
117.03364	0.3
127.03870	0.2
129.01834	0.2
135.04405	1.9
137.02344	0.4
153.01826	5.6
161.02286	0.6
171.02895	0.5
179.03401	0.2
184.07318	0.3
209.03020	0.1
213.05446	0.3
241.04938	0.5
249.07605	0.2
269.04443	0.3
287.05484	100.0
288.05811	0.8
376.44171	0.1
538.25879	0.1
553.13501	1.7
553.30493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.1344
Annotation	Vitexin 2''-p-hydroxybenzoate
Peak:m/z	Relative Intensity
53.03926	0.2
55.01870	0.2
56.96560	0.4
57.03421	0.2
65.03936	0.4
67.01866	0.4
67.05499	0.4
68.99809	0.3
69.03432	0.4
69.07053	0.3
69.19552	0.2
69.52193	1.1
69.52600	0.4
71.04978	0.3
79.05482	0.6
81.03400	0.9
81.07040	0.5
83.04949	0.2
85.02896	0.5
85.06562	0.2
86.09693	0.4
91.05461	0.9
93.07029	0.4
95.04980	0.6
95.08591	0.6
96.97414	0.3
97.02885	0.5
98.97587	0.4
99.04467	0.2
103.05476	0.4
105.07031	2.8
107.04932	0.3
107.08584	0.8
109.02884	0.8
109.10136	0.5
111.04475	0.3
113.05997	0.3
115.05458	0.5
119.04939	2.0
119.08573	0.3
121.02868	11.9
121.06492	0.4
121.10146	0.4
122.05965	0.3
123.11652	0.3
127.03924	1.5
131.04889	0.7
133.06493	1.3
133.10121	0.5
135.04341	0.3
137.05975	1.1
137.09642	0.3
139.03868	0.8
145.02873	0.6
145.04971	0.2
147.04404	0.6
147.11667	0.3
151.03882	0.3
151.07523	0.3
153.01825	6.1
161.05998	3.3
161.09628	0.3
163.03850	0.5
163.07362	0.2
167.07025	0.4
171.02872	0.4
177.05495	0.3
184.07333	0.8
188.03485	0.3
189.09088	0.2
191.14313	0.2
193.08620	2.2
207.13770	0.3
225.05527	0.3
229.05031	0.3
236.03835	0.3
243.06557	0.3
247.06189	0.2
265.07068	1.6
271.06009	100.0
272.06354	1.6
283.08145	0.3
291.84390	0.2
373.13797	0.3
552.35468	0.3
553.14435	1.2
553.25391	2.0
553.37140	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	0.5
63.99078	0.3
64.98937	0.3
69.70940	0.3
69.88379	1.4
71.04996	3.0
76.05696	0.3
79.05516	0.4
85.02901	3.6
85.52569	0.3
91.05485	6.5
98.09702	5.7
107.04964	5.5
117.07030	0.6
119.08587	8.3
124.11274	0.6
128.06218	0.3
129.05426	0.3
129.07008	0.5
132.05717	3.0
145.06509	0.9
146.77011	0.3
147.08057	100.0
148.08411	0.7
167.87509	0.3
244.17017	6.1
244.19537	0.4
300.84933	0.3
394.63824	0.3
422.09479	0.3
552.28076	61.9
553.28564	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37209	0.8
51.60509	0.8
55.05509	7.8
57.03421	3.4
57.07076	1.1
59.04994	1.2
67.05501	1.9
69.03124	0.9
69.03436	13.0
69.07070	100.0
70.98623	1.6
79.05480	2.3
81.03404	1.2
81.07065	7.2
83.08594	1.6
85.02908	8.2
87.04468	7.2
89.63166	0.9
93.07073	1.0
95.01330	9.3
95.04980	0.9
97.02891	8.9
109.02835	1.1
109.10157	0.9
111.11723	56.3
113.02369	53.4
115.03951	9.0
119.08575	1.8
121.06523	0.8
124.11214	1.6
127.03888	2.5
129.12761	42.5
133.04965	7.1
145.04961	1.3
145.06509	0.8
147.04381	4.0
150.07611	2.5
153.01833	2.3
161.06004	1.2
191.14301	0.9
203.99678	0.8
223.13290	22.6
228.14870	0.8
241.14331	7.2
285.84396	0.8
288.79327	1.0
552.26941	4.9
552.36188	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.3
55.18202	0.2
56.59971	0.2
57.03413	0.3
60.95887	0.2
61.02925	0.4
65.03934	0.9
67.05499	0.5
69.03423	1.0
69.07052	0.3
71.04982	0.6
71.61324	0.2
73.02917	0.3
75.10551	0.2
79.05489	0.5
81.03416	1.0
81.07067	0.5
83.04987	0.3
85.02908	4.3
85.06551	2.2
91.05480	10.2
93.07054	0.5
95.04959	0.5
95.08607	0.4
97.02876	1.4
99.04403	0.4
103.05451	0.2
105.07037	0.7
107.08597	0.8
109.02893	0.5
109.10154	0.3
111.04475	0.4
117.07018	0.2
119.04948	22.0
119.08554	0.5
120.05289	0.3
121.06523	0.6
121.10150	0.6
123.08056	0.2
124.11266	0.3
124.31439	0.2
127.03939	1.4
131.04913	0.5
131.08562	1.4
133.10170	0.4
135.04439	0.5
135.11620	0.3
137.05977	1.5
137.09578	0.3
145.04933	1.6
145.10172	0.8
147.04411	100.0
148.04768	0.8
149.09576	1.3
151.07545	0.4
153.01765	0.4
153.05466	0.3
161.06050	0.3
161.09550	0.3
163.06102	0.5
163.11198	0.9
165.05519	1.3
166.08656	0.3
167.07088	0.6
167.10663	0.7
168.07356	0.3
173.06084	0.6
185.06119	0.4
189.84436	0.2
191.07027	0.5
191.10652	1.9
193.00055	0.4
203.07162	0.3
209.11707	3.3
210.29117	0.2
211.00958	0.5
227.12784	4.9
263.38440	0.3
289.06073	0.3
291.08667	0.6
305.11984	0.2
309.09668	4.3
349.67233	0.3
373.16699	0.3
453.19644	0.3
464.47195	0.2
466.45969	0.2
520.20520	0.3
552.28607	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05467	0.4
56.76219	0.4
60.08108	1.7
65.81060	0.4
69.47967	1.3
69.48399	1.7
70.82243	0.3
71.07333	0.6
72.88297	0.4
79.05456	1.0
80.04958	0.5
81.07017	0.6
82.06526	0.5
86.09707	4.8
91.05408	0.8
93.06982	1.7
94.06584	2.0
95.07352	1.8
96.08138	3.8
98.09634	1.1
98.97545	0.5
104.10751	2.3
108.08118	3.3
110.09684	7.1
116.10648	0.4
120.04472	3.5
120.08104	4.2
122.06026	0.9
122.09614	0.6
123.06789	0.5
124.07548	0.7
124.99992	3.5
132.07985	0.4
136.07593	3.6
138.08104	0.5
138.09134	9.1
146.05949	1.1
148.07512	1.7
150.05481	0.5
150.09077	1.0
151.06238	0.5
152.07027	0.9
152.10614	0.6
153.01865	0.5
162.05429	0.4
164.07069	0.9
166.07341	0.6
166.08633	7.8
175.65373	0.4
176.10648	0.9
184.07339	16.9
191.95932	0.5
194.08075	1.1
196.09892	0.6
196.16875	0.5
197.10648	1.2
198.11519	0.5
209.10696	0.9
210.70137	0.5
211.08553	0.7
211.12256	0.7
212.09431	0.6
215.11815	0.4
215.70900	0.4
220.09991	0.4
223.08586	1.0
223.12296	1.1
224.09286	1.1
225.10239	3.4
226.10870	0.5
227.11804	1.0
229.75920	0.4
233.10823	0.6
234.11578	0.4
235.08609	1.0
235.12285	0.5
236.09354	1.0
237.07990	0.8
237.10229	7.7
238.10968	1.4
239.08119	1.6
239.11792	3.4
241.09634	1.1
245.13033	0.5
248.09389	1.3
249.07870	0.6
249.10268	6.9
250.11049	2.5
251.08144	3.7
251.11787	6.6
252.12578	1.1
253.09726	4.9
253.13499	0.5
254.10379	0.9
255.07382	0.4
255.11351	0.9
261.10269	2.2
262.10941	1.2
263.08029	0.8
263.11847	3.0
264.08829	0.5
265.09698	8.9
266.10529	1.5
267.11349	5.6
268.12073	0.4
269.09225	0.8
269.12805	0.8
271.05969	1.3
271.10797	2.5
273.12247	0.5
276.08731	0.4
277.09589	1.9
278.10510	3.8
279.07672	3.5
279.11267	10.2
280.12021	1.8
281.09198	2.8
281.12802	1.8
282.09927	1.0
283.10840	7.2
283.14044	0.7
285.12329	1.2
287.13901	1.7
289.09671	5.3
291.11130	2.0
293.09189	1.8
293.12839	4.7
294.09985	5.6
294.13342	0.7
295.10815	3.6
295.14050	0.8
296.11578	2.3
297.09015	0.6
297.12326	1.7
298.09479	0.6
299.10178	1.9
306.09833	1.2
307.10754	2.4
308.11560	1.1
309.08929	0.9
309.12326	2.7
311.10251	6.5
311.13861	1.9
312.10919	2.9
313.11783	1.9
314.12711	1.5
317.09216	0.7
321.12177	0.8
323.10181	1.6
323.13913	1.0
324.10858	2.3
325.11896	1.8
326.12585	5.2
327.13400	9.5
335.10233	7.0
337.11707	1.1
339.13406	51.9
340.10416	2.6
342.16013	0.7
349.11755	0.6
352.10547	0.7
353.10971	0.6
354.12103	3.8
355.12903	15.8
357.14499	0.5
367.12897	33.4
368.13693	0.4
368.18369	0.9
371.12119	0.6
386.14554	0.9
387.15613	1.3
399.15503	1.4
400.06888	0.5
404.15982	0.4
414.18338	0.5
418.17731	0.8
436.18356	0.8
451.20990	0.9
460.18777	1.5
479.20340	2.1
488.18152	13.8
492.21262	4.9
520.20813	100.0
521.21039	1.2
534.31915	0.5
552.23541	15.9
552.31934	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
57.35866	0.3
67.05463	0.3
69.03436	0.3
69.36481	1.2
69.36907	1.2
73.72205	0.3
79.05459	0.9
80.05002	0.4
81.03384	0.3
81.05773	0.3
81.07024	0.5
82.06564	0.5
91.05448	1.1
93.07038	1.4
94.06561	2.2
95.04919	0.4
95.07340	1.6
95.08562	0.4
96.07558	0.3
96.08127	4.1
97.06501	0.5
97.84399	0.3
103.05470	0.4
105.07001	0.5
106.06531	0.6
107.07351	0.4
107.08525	0.5
108.08131	3.6
109.02835	0.4
109.08903	0.4
109.10111	0.6
110.09689	5.4
110.10412	0.3
120.04464	1.9
120.08108	4.6
121.06502	0.3
122.05992	1.2
122.09612	0.9
123.06797	0.5
123.11644	0.4
124.07581	1.7
127.03871	0.5
133.10056	0.3
134.05997	0.6
136.07582	5.0
137.05957	0.4
137.08362	0.4
137.09549	0.8
138.09129	8.5
138.10165	0.4
146.05995	0.6
147.04335	0.8
147.11563	0.3
148.07530	1.0
149.09601	0.4
150.09090	1.3
151.06244	0.9
152.07076	1.5
152.10664	0.7
153.01802	0.4
153.77000	0.3
162.05409	0.4
162.09041	0.3
164.07050	1.0
165.09160	0.4
166.08626	9.5
168.10205	0.3
172.03885	1.1
176.10635	0.4
177.07848	0.6
180.10146	0.9
182.11736	0.9
183.09076	0.3
184.07390	0.4
185.10683	0.4
189.12798	0.6
190.13063	0.6
192.06418	0.4
192.10155	0.9
194.08142	1.5
195.09155	0.4
196.09750	1.3
197.10725	0.9
198.11467	0.5
202.08701	0.3
204.06503	1.3
207.13741	0.9
208.14122	0.6
209.10707	1.3
210.11371	0.4
211.08589	0.7
211.12221	0.7
212.09367	1.0
212.91222	0.3
213.10176	0.9
213.22514	0.3
221.10678	0.4
222.11555	0.3
223.08632	1.2
223.12260	1.1
224.09418	1.1
225.10233	3.5
226.11064	0.6
227.11707	1.0
233.10628	0.5
235.08675	1.4
236.09166	1.4
237.10225	7.2
238.11069	2.4
239.08147	1.6
239.11772	3.2
240.12758	0.3
241.09679	0.9
241.13628	0.4
245.12842	0.9
248.09297	1.1
249.10254	5.1
250.07216	0.4
250.11061	2.3
251.08163	3.2
251.11790	5.4
252.08861	0.9
252.12566	0.9
253.09706	5.0
254.10516	0.5
255.11327	0.9
259.14389	0.4
261.10248	1.9
262.10773	0.5
263.08243	0.7
263.11771	2.5
264.09085	0.6
264.12396	0.3
265.09717	8.8
265.12830	0.4
266.10400	1.7
267.11316	4.2
268.12054	0.6
269.09045	0.6
269.12827	0.8
271.10770	2.7
273.12531	0.4
275.44119	0.4
277.09756	1.7
278.10464	3.3
279.07690	3.0
279.11261	8.5
280.08694	0.6
280.11975	1.7
281.09631	2.2
281.12299	2.1
282.09918	0.6
283.10776	5.6
283.13947	0.6
284.11517	0.7
285.12363	1.3
287.13898	3.4
289.09683	3.2
290.10526	0.5
291.08072	0.4
291.11304	1.3
292.12085	0.5
293.09198	2.1
293.12808	3.1
294.09979	4.9
294.13190	0.3
295.10831	2.1
295.14053	0.5
296.11533	2.4
297.09116	0.5
297.12323	1.9
298.09454	0.7
299.10330	1.8
300.11008	0.4
306.09750	1.2
307.10834	1.7
308.11459	1.0
309.08966	0.6
309.12244	2.5
310.13037	0.4
311.10330	6.1
311.13910	1.3
312.11124	2.7
313.11832	2.1
313.15283	0.5
314.12686	2.0
317.09256	0.7
321.12360	0.6
322.09109	0.3
323.10373	0.7
323.13876	1.0
324.11230	1.7
325.11838	2.4
326.12619	4.4
327.13397	7.9
328.14267	0.5
335.10251	4.3
337.11868	1.0
339.13397	41.1
340.10474	2.0
340.13922	0.6
341.15045	0.5
346.15628	0.4
352.10504	0.9
353.11362	0.9
354.12094	2.0
355.12851	7.7
356.13873	0.5
357.14523	0.9
367.12881	13.8
369.14450	0.4
371.12082	1.4
371.16144	0.8
372.13306	0.5
376.16739	0.4
376.65613	0.3
385.13910	1.0
386.14728	2.4
387.15433	3.3
390.18332	0.4
399.15543	5.5
400.16324	0.5
408.19180	0.5
432.19449	0.6
436.18582	0.5
442.17651	0.4
447.17883	0.4
451.21024	0.8
452.21811	0.5
460.18900	1.1
470.17291	0.4
479.20419	2.0
488.18179	3.0
492.21317	3.4
502.19586	0.7
520.20801	27.8
521.20697	0.4
524.24176	0.9
534.22412	0.7
551.36230	0.3
552.23401	100.0
553.23602	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	551.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01868	2.9
55.05513	13.3
57.03432	4.8
57.07079	39.4
65.34034	1.2
67.05508	30.4
69.03445	2.5
69.07070	14.5
69.33453	1.3
69.33772	11.7
71.04984	5.0
71.08633	30.7
79.05495	17.3
81.03419	40.3
81.07060	38.4
83.04983	7.5
83.08626	24.2
85.02905	21.3
85.06532	1.7
85.10178	14.4
91.05486	19.6
93.07051	12.5
95.04970	16.8
95.08611	30.1
97.10165	10.4
98.21547	2.4
99.11781	1.4
105.07011	13.8
107.04943	2.7
107.08592	4.5
109.06522	3.4
109.10168	13.7
111.08101	7.8
111.11707	2.2
113.06026	2.4
119.08597	13.1
121.10152	5.7
123.11710	7.1
129.07002	7.8
131.08578	7.9
133.06465	2.3
133.10149	5.8
137.09624	1.3
137.13286	2.0
140.70729	1.1
142.07771	2.0
147.08043	2.4
147.11688	7.6
149.09601	4.5
155.73982	1.4
157.10158	8.6
165.12811	2.5
175.11191	11.3
193.12250	46.5
199.10741	1.1
211.13292	42.7
249.14925	2.4
267.15878	6.6
267.26929	2.6
268.88733	1.2
341.30521	4.9
414.49878	1.4
533.42072	3.9
551.43060	100.0
552.43298	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	552.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
70.14285	2.6
71.36311	0.5
91.46011	0.5
93.07034	1.3
94.06583	1.9
95.07331	2.1
96.08157	3.5
98.20712	0.6
108.08133	2.5
110.09690	5.7
120.04465	3.0
120.08088	4.2
122.06059	1.1
122.14057	0.5
124.07632	0.9
136.07599	3.1
138.09143	7.8
148.07553	1.4
150.09174	0.8
151.06340	0.5
152.07050	0.9
160.07698	0.6
161.43616	0.5
164.07097	1.0
166.08643	7.9
172.99229	0.6
184.22047	0.5
192.06285	0.6
197.10677	1.0
209.10826	0.9
211.08621	0.6
211.12454	0.8
213.10347	0.5
223.08554	1.1
223.12177	0.7
224.09479	1.1
225.10275	2.5
227.11752	0.6
233.10753	0.6
235.08685	1.6
236.09467	1.3
237.10184	7.4
238.11053	1.7
239.08275	1.4
239.11803	3.4
241.09695	1.1
245.12927	0.6
248.09451	1.5
249.10229	5.3
250.11008	2.2
251.08168	3.2
251.11789	5.9
252.12561	0.7
253.09691	5.9
253.13605	0.7
254.10504	0.7
261.10385	2.5
262.11032	0.9
263.08032	0.6
263.11813	2.9
264.12595	0.7
265.09726	9.7
266.10547	1.3
267.11267	4.9
269.09229	0.6
271.10870	2.6
276.09134	0.5
277.09790	2.7
278.07504	0.9
278.10400	4.2
279.07718	3.3
279.11328	9.3
280.12140	1.7
281.09302	2.1
281.12900	1.3
282.09897	0.6
283.10791	5.8
283.14056	0.7
283.80530	0.5
285.12320	1.1
287.13922	1.3
289.09692	6.0
290.10300	0.7
291.11285	1.9
293.09198	1.8
293.12857	4.5
294.10010	5.6
295.10806	3.1
295.13760	0.5
296.11697	2.3
297.08871	0.9
297.12320	1.4
298.09326	0.8
299.10266	1.8
306.09790	1.4
306.58615	0.5
307.10855	2.2
308.11569	1.2
309.08987	0.7
309.12341	2.2
311.10309	5.7
311.13907	1.5
312.11081	2.3
313.11823	1.7
314.12531	1.5
317.09195	1.1
323.10376	1.1
323.13992	1.3
324.11066	2.0
325.11816	1.3
326.12656	4.8
327.13449	7.7
335.10284	8.1
337.11823	1.1
339.13403	49.0
340.10358	2.8
349.07669	0.5
352.10480	0.8
354.12183	3.1
355.12888	15.9
356.13620	0.9
367.12891	32.9
368.13821	0.8
399.15472	0.8
429.26468	0.5
436.12463	0.6
442.17480	0.5
451.20862	1.0
460.19104	1.6
464.17914	0.6
470.27844	0.6
479.20670	1.8
488.18204	13.8
492.21100	5.5
499.35165	0.5
520.20831	100.0
521.21161	1.6
552.23419	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	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.5
53.03948	4.1
55.05515	16.9
57.07067	8.4
65.01953	2.1
65.03953	2.4
67.05509	25.4
69.07076	18.0
71.61800	2.2
71.62173	2.5
79.05495	26.5
81.07064	39.2
83.03653	1.8
83.08616	8.9
85.06525	2.1
91.05486	38.4
93.07050	56.8
95.04965	3.0
95.08614	42.5
97.10149	2.0
103.05485	3.1
105.07040	69.1
107.08606	57.0
109.06510	3.6
109.10167	38.9
111.93748	1.6
115.05480	3.9
117.07046	15.4
119.08589	100.0
121.10152	53.4
123.11705	15.2
128.06219	6.1
129.07022	11.3
130.07779	6.1
131.08585	29.8
133.10143	63.4
135.11693	34.3
137.09627	3.5
137.13226	2.2
141.06970	4.8
142.07797	16.4
143.08575	23.6
144.09348	6.8
145.10138	70.5
147.11691	26.4
149.13239	5.6
153.06978	2.2
155.08566	10.4
156.09338	10.5
157.10136	34.3
157.63176	2.0
158.10957	4.7
159.11691	34.9
161.13234	10.9
163.11201	3.1
167.08580	5.0
168.09361	4.4
169.10139	18.6
170.10928	5.8
171.11716	20.6
173.13245	24.2
175.14832	31.3
179.08530	5.1
181.10146	7.3
182.10994	5.2
183.11697	15.0
185.13268	16.2
187.14801	14.1
189.16385	3.2
193.10139	6.7
193.15947	2.9
194.10922	3.8
195.11658	11.3
196.12515	5.2
197.13248	21.4
199.14825	11.1
200.04796	1.7
201.16452	11.7
205.15930	3.2
206.10992	2.7
207.11670	7.8
208.12480	3.9
209.13217	13.2
211.14827	13.4
213.16318	4.6
217.15878	2.1
220.12413	2.6
221.13329	10.3
222.13921	2.2
223.14836	11.4
224.15646	3.6
225.16394	4.5
233.13281	3.5
235.14772	6.3
237.16415	5.4
239.17952	4.4
241.19470	2.8
245.13142	2.2
247.14777	3.4
249.16298	2.0
251.18071	2.4
253.19508	4.4
257.18805	2.0
259.20706	3.2
261.16394	3.8
263.18115	2.3
265.19559	3.9
267.21158	5.3
271.20578	2.2
275.18045	2.1
277.19611	2.6
279.20984	3.6
283.20532	2.7
285.22174	3.5
289.19455	2.4
291.32422	1.9
327.07788	2.8
329.22491	2.4
337.25146	3.5
339.57675	2.4
345.26010	2.6
398.29932	2.6
429.31107	2.7
495.26837	4.2
495.35797	2.8
533.41553	2.6
551.42480	32.9
551.50604	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	551.4252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.5
52.16888	1.0
53.03938	3.9
55.05515	13.8
57.07071	7.2
65.03925	1.7
67.05506	25.4
69.07069	17.5
69.94562	3.2
69.94963	1.8
79.05492	19.5
81.03391	1.8
81.07060	39.6
83.08625	8.2
85.06527	1.8
91.05485	39.2
93.07050	55.9
95.04984	5.8
95.08608	42.4
97.06550	2.1
97.10213	2.3
98.20901	1.6
103.05473	3.7
105.04546	1.3
105.07034	75.7
107.08598	57.9
109.06499	1.9
109.10155	41.4
109.10913	2.0
110.81528	1.0
111.08102	1.3
115.05451	4.6
116.06182	1.5
117.07016	14.1
119.08585	100.0
120.09429	1.3
121.06547	1.4
121.10146	45.4
123.08086	2.7
123.11716	13.9
128.06252	5.3
129.06992	10.7
130.07797	7.5
131.08574	29.5
133.10135	60.6
134.10489	1.2
135.08110	1.4
135.11700	36.7
137.09627	2.6
139.11186	1.3
141.07004	4.7
142.07787	12.6
143.08560	23.7
144.09311	5.0
145.10126	68.3
147.11700	22.6
147.12616	0.8
149.09663	2.1
149.13225	5.6
151.14851	1.4
153.06978	1.9
154.07753	1.6
155.08572	10.2
156.09352	12.0
157.10138	34.4
158.10956	7.7
159.11705	35.9
160.12434	1.1
161.13257	10.9
163.11137	2.2
163.14816	1.4
165.07042	4.2
166.07806	2.0
167.08537	6.2
168.09381	3.2
169.10150	17.5
169.11534	1.3
170.10941	5.8
171.11690	22.3
172.12454	2.8
173.13269	22.1
175.14824	38.8
179.08569	5.7
179.97067	1.1
180.09338	3.5
181.10129	8.7
182.10892	7.0
183.11708	14.9
184.12444	1.8
185.13275	14.7
186.13971	1.1
187.14841	14.9
189.16411	4.3
191.14369	1.7
192.09431	1.8
193.10211	5.3
193.15869	1.2
194.10983	4.3
195.11671	13.2
195.13330	1.0
196.12480	4.2
197.13258	20.3
198.13904	1.9
199.14838	9.7
201.16399	14.5
203.17950	1.2
205.10077	1.2
205.15944	1.5
206.10921	2.7
207.11653	8.4
208.12518	2.0
209.13246	15.2
210.14020	1.9
211.14825	12.7
212.15520	1.6
213.16380	6.3
215.18022	1.5
217.10309	1.1
217.15916	1.3
219.11737	2.6
219.17537	4.3
220.12489	2.5
221.13260	7.0
222.14095	1.8
223.14813	11.8
225.16350	5.5
226.36279	1.0
227.17998	3.3
231.11827	2.2
231.17448	1.4
232.12535	1.7
233.13365	3.5
234.14108	1.4
235.14838	4.7
236.15440	1.3
237.16428	4.4
239.17990	3.9
241.19547	3.4
245.13399	2.0
247.14793	2.9
249.16402	4.8
251.17999	3.3
253.19547	2.6
255.21071	1.3
257.19073	1.3
259.14746	1.6
259.20593	2.3
260.15591	1.2
261.16510	4.3
263.18005	2.1
265.19495	4.8
267.21051	4.7
271.20432	1.6
273.16333	1.6
274.26041	0.9
275.18063	4.0
277.19626	3.0
279.21152	3.6
281.22580	1.5
283.20499	3.0
285.22147	3.2
287.18198	1.2
289.19595	2.7
291.21176	2.2
293.22675	2.1
309.22342	1.1
319.24185	1.5
337.25342	1.2
341.14447	1.0
341.22910	1.3
345.25900	3.8
349.25531	1.4
359.27499	1.5
361.25589	1.2
398.29584	2.4
399.30081	1.3
415.30493	1.5
429.31747	1.8
495.36337	2.5
533.41541	4.0
551.42505	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	551.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.96531	0.8
71.61010	1.4
79.46258	0.7
81.03416	1.8
91.05466	0.9
115.05424	1.2
117.05754	1.0
117.07040	0.9
118.06548	18.2
130.06535	1.2
132.08095	5.4
142.06505	1.7
143.07298	2.0
144.04471	0.7
144.08083	10.5
146.06013	62.9
147.06346	0.8
159.09184	4.9
160.07652	0.9
167.07135	0.8
170.05994	4.1
188.07068	100.0
189.07530	0.8
205.09726	40.5
212.88332	0.8
231.02985	1.0
259.02386	1.1
277.03427	2.9
303.01294	1.0
308.46548	0.8
496.97186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.6
56.96566	14.6
63.74445	0.5
67.05518	1.0
70.19485	1.2
70.19877	1.2
71.95271	1.2
79.50670	0.5
80.22284	0.5
81.07062	0.8
83.08619	0.5
84.96033	8.3
91.05503	0.7
93.07053	1.2
93.44868	0.5
95.08603	0.6
97.02898	0.8
98.97585	47.2
105.07034	1.0
107.04984	0.6
107.08571	0.5
110.97565	10.8
112.99155	1.7
116.98623	17.6
116.99432	1.1
119.08618	0.9
121.10168	0.7
124.99138	1.4
125.38780	0.6
126.97047	0.9
128.98605	10.7
131.00159	1.5
131.08572	0.7
133.10144	0.9
134.99657	4.6
140.00208	2.1
140.98610	3.5
143.00168	7.3
144.98068	3.1
146.99643	5.4
147.97803	0.6
152.00224	0.8
152.98584	5.8
155.00137	0.7
158.99661	8.8
161.01248	6.3
162.99162	2.9
167.07126	0.7
169.10115	0.5
170.99649	8.2
173.01219	1.3
177.00703	8.6
182.01254	0.7
182.99675	0.7
184.02870	0.5
185.01280	1.0
189.00711	5.4
195.01671	0.9
200.02287	1.1
201.00679	3.3
203.02376	0.7
207.01634	0.8
213.00729	1.0
219.01758	16.9
233.14160	0.8
237.02821	24.1
237.36337	0.5
242.03419	1.5
253.59337	0.5
255.03865	1.3
257.14282	4.3
260.04446	1.1
275.15372	2.1
289.13449	0.5
299.15173	1.0
311.15335	0.6
312.75500	0.5
330.96500	0.5
359.17398	28.3
377.18497	14.7
395.94958	0.5
400.20123	2.7
437.59521	0.6
473.20822	0.7
491.21640	100.0
492.22189	1.7
509.22617	1.0
532.24182	2.2
551.23108	2.2
551.29669	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
66.30338	1.9
67.19489	2.0
69.86022	4.0
69.86423	7.3
79.05494	11.9
87.39262	1.9
90.34751	1.8
91.05495	4.3
98.21425	3.5
101.61691	2.2
103.05473	22.2
105.07033	69.0
115.05454	18.1
118.04155	9.9
120.34769	1.9
131.04927	15.4
133.02881	2.9
133.06491	58.5
137.06024	4.5
143.06091	6.6
147.04442	3.2
148.05228	5.7
161.05991	100.0
163.07506	13.3
179.06953	2.0
191.07031	64.2
193.08607	37.9
207.13762	2.5
222.74783	1.8
255.11104	2.4
288.71066	1.8
294.43689	2.3
478.34543	2.0
491.83350	2.1
519.15900	8.1
551.18469	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	550.4108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	30.7
57.03450	15.0
57.07076	7.9
67.05510	74.1
69.07063	26.1
71.04988	8.3
71.69678	6.2
79.05498	69.7
80.08949	6.2
81.07063	73.7
83.04969	23.5
83.08612	10.3
88.65753	6.0
91.05475	29.7
92.43903	6.2
93.07054	81.8
95.04942	12.3
95.08618	47.6
97.06522	17.3
97.10153	11.9
98.21505	13.0
103.31262	6.6
105.06998	20.7
107.08593	47.6
109.10157	19.5
119.08577	14.8
121.10125	27.3
131.08606	8.1
133.10133	13.7
135.11687	65.0
138.90048	7.0
145.10130	17.5
149.13240	8.2
159.11691	8.7
163.11125	7.2
173.13214	7.3
181.12233	16.0
255.15944	100.0
261.22009	14.2
269.17038	7.0
335.25830	86.0
379.36752	6.9
515.37286	54.3
550.62738	9.4
557.32874	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	550.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54901	0.5
55.05521	0.5
57.07077	8.2
58.06586	1.4
69.82549	1.4
69.82963	1.4
70.06593	12.0
71.08630	2.6
85.10192	0.7
86.06069	0.9
87.04463	1.6
88.07629	16.2
93.06991	0.8
99.04459	2.4
102.09178	11.3
105.07030	1.5
107.08504	0.6
107.41216	0.5
119.08585	1.0
119.67962	0.6
121.10184	0.9
129.06924	0.5
133.10147	1.4
138.53899	0.5
147.11671	0.8
157.10130	0.8
157.73911	0.5
159.08017	0.8
159.11566	1.1
161.09654	3.2
163.11227	0.6
175.11235	1.2
188.08334	1.6
203.10632	3.8
203.14369	1.0
212.23669	0.6
217.15862	1.9
219.17415	5.7
239.44429	0.5
254.24831	2.7
256.26355	100.0
257.26758	0.8
259.16934	14.2
274.27472	2.4
303.19574	2.9
331.92587	0.5
332.70337	0.5
398.25925	0.6
476.37555	2.3
532.43665	20.0
550.35950	1.1
550.44586	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	549.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47954	0.3
53.03918	0.5
55.05504	0.7
56.96548	0.4
61.03796	0.5
63.56855	0.4
65.03938	0.4
67.05482	1.2
69.03421	1.7
69.07047	1.3
71.05002	0.4
71.12579	0.6
79.05488	0.9
81.03435	2.7
81.07056	1.8
83.04973	0.7
83.08598	0.4
85.02905	1.6
89.03916	6.2
91.05474	2.0
93.07019	1.0
95.04973	0.5
95.08614	2.0
97.02893	0.7
99.04429	0.6
103.05434	0.5
105.07029	1.6
106.04170	0.6
107.08586	1.5
109.02924	0.8
109.06507	1.0
109.10158	4.8
116.96680	0.4
117.03384	18.4
117.07014	0.4
119.04984	0.5
119.08577	2.5
121.06503	0.4
121.10115	1.1
123.08075	0.7
123.11682	0.6
127.03943	1.0
131.08492	0.4
133.02844	0.4
133.10118	1.5
134.03641	1.5
135.04440	0.9
135.11700	4.4
137.05984	1.5
137.09615	1.2
145.02847	47.1
146.03235	0.3
147.04385	1.1
149.04892	0.7
149.05981	7.1
151.07547	0.5
151.11153	0.6
151.14870	0.4
153.01814	0.9
163.03903	1.0
163.11234	0.6
167.07042	1.1
168.15045	0.4
169.10168	0.4
171.11659	0.5
175.14813	2.4
177.05472	100.0
178.05890	0.8
181.05016	0.5
186.05484	0.7
193.15927	3.1
195.06537	1.7
211.16884	2.1
243.45496	0.4
273.07666	0.5
319.23141	0.5
321.09634	3.6
322.82144	0.4
325.71262	0.4
339.10730	5.7
434.76550	0.5
549.21814	1.3
549.26337	1.3
549.33911	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65008	1.1
53.03938	3.4
55.01863	4.3
57.03442	9.3
59.04987	1.1
61.02602	2.0
61.02891	8.9
64.70944	1.2
65.79388	1.1
67.05501	5.2
69.03435	33.2
69.07053	2.7
69.84790	6.4
71.04999	5.8
73.02907	3.8
79.05507	3.8
81.03416	11.1
81.07052	5.3
83.04977	3.4
85.02906	100.0
85.06539	1.8
87.04463	2.9
91.03948	3.6
91.05475	4.7
93.07024	4.7
95.04979	3.6
95.08606	7.0
97.02894	37.1
97.06501	5.1
99.04452	8.1
103.05451	1.3
105.07039	12.1
107.04946	2.0
107.08589	5.1
109.02875	11.7
109.06524	8.0
109.10160	2.8
111.04456	1.4
113.68352	1.2
115.03958	1.4
119.08578	5.0
121.06513	3.4
121.10137	5.2
122.07272	1.5
123.08070	45.8
123.11710	2.2
124.11222	2.7
125.05997	2.1
127.03911	27.3
128.06308	1.3
131.08580	5.2
133.06522	3.9
133.10139	13.7
135.08063	3.7
135.11707	1.7
137.06001	6.4
143.04898	1.6
143.08527	2.3
145.04964	36.7
145.10098	3.4
147.08121	2.1
147.11655	2.2
149.09569	2.8
151.07552	78.9
153.09045	2.6
156.09401	1.5
161.09627	1.9
161.13300	1.5
163.06058	6.2
163.11191	21.2
167.07047	5.6
171.11714	3.5
181.05157	2.3
181.12262	8.7
189.07594	5.2
189.12756	19.7
191.14362	7.2
192.09695	1.5
192.11427	2.9
205.04727	2.7
205.08734	1.3
207.13811	95.1
209.15344	9.3
223.13393	2.8
225.14905	13.2
369.18896	3.4
387.15314	2.0
387.20023	10.1
517.14496	3.6
531.24298	4.0
549.18628	9.0
549.26617	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	549.2337
Annotation	3,7-Dihydroxy-4,5-dimethoxy-8-prenylflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
64.46668	1.1
67.05499	2.9
69.03438	1.2
71.16529	1.4
71.16869	2.5
81.03427	3.2
85.02906	1.7
89.03928	5.2
95.08588	3.5
97.02909	1.4
101.28129	1.6
105.05508	1.2
107.04941	2.2
109.02867	1.7
109.10177	1.8
117.03372	7.7
119.08598	1.4
121.10096	1.5
123.08035	1.9
127.03902	1.6
132.04507	1.8
135.04442	15.5
137.05951	1.8
143.45311	1.1
145.02849	12.6
149.09621	5.5
153.01849	2.8
160.92578	1.1
163.03911	100.0
178.05034	3.6
181.04973	3.4
189.12698	2.1
206.04471	5.9
207.13841	5.3
224.31407	1.2
271.05978	4.8
307.08093	1.9
325.09225	4.8
549.22028	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2337
Annotation	Unknow
Peak:m/z	Relative Intensity
64.46668	1.1
67.05499	2.9
69.03438	1.2
71.16529	1.4
71.16869	2.5
81.03427	3.2
85.02906	1.7
89.03928	5.2
95.08588	3.5
97.02909	1.4
101.28129	1.6
105.05508	1.2
107.04941	2.2
109.02867	1.7
109.10177	1.8
117.03372	7.7
119.08598	1.4
121.10096	1.5
123.08035	1.9
127.03902	1.6
132.04507	1.8
135.04442	15.5
137.05951	1.8
143.45311	1.1
145.02849	12.6
149.09621	5.5
153.01849	2.8
160.92578	1.1
163.03911	100.0
178.05034	3.6
181.04973	3.4
189.12698	2.1
206.04471	5.9
207.13841	5.3
224.31407	1.2
271.05978	4.8
307.08093	1.9
325.09225	4.8
549.22028	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.234
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	3.5
69.03423	3.6
71.19833	2.9
79.05496	2.2
81.03414	4.4
85.02923	3.0
89.03925	4.6
91.05489	2.7
92.52679	1.2
93.07026	2.6
95.04922	1.5
95.08610	3.2
97.02915	2.5
105.07027	2.0
107.04956	2.9
107.08649	1.8
109.02893	3.3
109.10156	3.5
117.03393	8.5
119.08588	2.1
123.08056	2.6
127.03890	2.4
132.04396	1.3
135.04420	17.3
135.11734	1.6
137.05965	2.7
137.09630	5.0
145.02850	12.3
147.04422	3.6
149.09596	5.3
151.77238	1.2
153.01839	3.4
163.03917	100.0
165.09073	3.2
178.04999	23.3
181.05003	3.5
189.96477	1.2
205.09702	1.3
206.04500	32.0
207.13802	4.8
271.06049	6.7
307.08246	2.4
325.09241	3.4
327.14511	1.4
404.29785	1.2
419.82809	1.4
549.22028	18.1
550.19684	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.03431	1.0
62.70027	0.7
63.17586	0.6
67.05505	1.5
69.03404	2.8
69.07052	1.4
70.39488	2.7
72.23364	0.6
79.05476	2.4
81.03427	1.6
81.07062	4.4
83.08629	1.0
84.08120	0.9
85.02906	2.8
91.05503	1.6
93.07020	2.6
95.04930	1.5
95.08598	2.5
97.02883	1.9
97.06592	0.8
98.97572	0.9
99.08086	0.9
101.54561	0.8
103.05494	1.2
103.54648	0.7
105.07026	2.8
107.04937	1.0
107.08595	1.3
109.02876	1.5
109.10152	2.1
116.24011	0.7
117.03352	1.9
119.04951	0.9
119.08589	2.0
121.10107	1.3
123.08091	0.8
123.11741	1.1
124.11291	0.7
125.05945	1.1
125.09538	0.7
127.03899	1.9
131.04887	1.3
133.06479	1.5
133.10114	2.3
135.04425	1.0
135.11700	1.9
137.05949	2.5
142.08623	0.8
145.02841	5.0
147.04427	2.1
149.02129	3.6
149.05962	1.2
149.13266	1.4
151.07558	1.6
153.01793	1.9
161.06038	1.4
163.03934	1.6
163.11171	1.0
165.12706	0.7
167.07045	2.6
177.05469	10.0
187.07570	0.9
189.09103	0.8
191.06972	1.2
203.06885	1.0
279.15674	1.5
287.05530	1.2
339.12384	1.2
378.53473	0.7
423.20016	9.7
549.22888	100.0
550.23419	2.6
569.01569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98646	0.8
53.03947	0.7
55.05515	5.7
57.03434	4.0
57.07072	2.3
62.06079	1.5
67.05506	7.7
69.04800	0.7
69.07064	7.6
70.15092	2.7
71.04985	1.4
71.08624	3.0
79.05489	4.9
81.07062	11.0
83.08629	5.1
85.06545	1.5
91.05493	2.9
93.07043	7.0
94.08245	0.7
95.04953	1.2
95.08607	10.8
97.06523	2.7
97.10154	2.0
98.98463	2.9
99.08115	1.9
105.07036	3.3
106.07364	0.8
107.08596	12.0
107.67257	0.7
109.06528	4.3
109.10160	4.9
111.08062	2.3
115.05408	1.0
117.06948	0.8
119.08585	4.3
121.10155	8.5
123.08062	11.7
123.11717	1.7
125.09653	0.9
131.08545	0.8
133.10136	3.3
135.11653	3.6
137.09575	1.2
143.08522	0.8
145.10135	1.7
147.11734	1.4
149.09595	1.2
149.13237	2.2
150.76494	0.7
151.11182	0.8
153.74132	0.7
159.11694	2.0
161.13313	1.0
163.14813	1.0
165.12863	0.9
167.14323	2.6
176.61345	0.8
177.12744	0.7
177.16422	4.7
179.14296	15.3
181.15874	0.9
184.88026	0.8
185.55341	0.7
193.15926	0.8
200.05865	0.7
216.06367	0.7
245.61504	0.7
246.66159	0.7
277.21686	3.8
291.23300	0.8
333.27884	18.0
351.28940	6.3
371.29410	1.3
376.32193	1.2
389.30579	2.8
407.31577	100.0
408.31876	2.2
487.28445	1.1
505.29138	3.1
548.32697	1.1
548.40204	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	549.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.9
57.03431	1.0
62.70027	0.7
63.17586	0.6
67.05505	1.5
69.03404	2.8
69.07052	1.4
70.39488	2.7
72.23364	0.6
79.05476	2.4
81.03427	1.6
81.07062	4.4
83.08629	1.0
84.08120	0.9
85.02906	2.8
91.05503	1.6
93.07020	2.6
95.04930	1.5
95.08598	2.5
97.02883	1.9
97.06592	0.8
98.97572	0.9
99.08086	0.9
101.54561	0.8
103.05494	1.2
103.54648	0.7
105.07026	2.8
107.04937	1.0
107.08595	1.3
109.02876	1.5
109.10152	2.1
116.24011	0.7
117.03352	1.9
119.04951	0.9
119.08589	2.0
121.10107	1.3
123.08091	0.8
123.11741	1.1
124.11291	0.7
125.05945	1.1
125.09538	0.7
127.03899	1.9
131.04887	1.3
133.06479	1.5
133.10114	2.3
135.04425	1.0
135.11700	1.9
137.05949	2.5
142.08623	0.8
145.02841	5.0
147.04427	2.1
149.02129	3.6
149.05962	1.2
149.13266	1.4
151.07558	1.6
153.01793	1.9
161.06038	1.4
163.03934	1.6
163.11171	1.0
165.12706	0.7
167.07045	2.6
177.05469	10.0
187.07570	0.9
189.09103	0.8
191.06972	1.2
203.06885	1.0
279.15674	1.5
287.05530	1.2
339.12384	1.2
378.53473	0.7
423.20016	9.7
549.22888	100.0
550.23419	2.6
569.01569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	6.3
53.84083	3.2
55.01885	5.0
55.05286	3.6
55.05520	35.5
57.03428	12.4
57.07068	12.4
59.47364	3.2
62.61959	2.9
65.03945	6.9
67.05162	6.4
67.05509	93.4
68.05841	4.7
69.03419	3.5
69.07073	25.8
71.05000	6.2
71.08634	6.2
71.62240	4.7
77.60493	2.9
79.05495	54.0
81.03424	14.9
81.07060	100.0
81.26099	3.4
82.07379	7.3
83.04984	8.8
83.08612	17.7
85.02941	3.3
85.06546	4.2
91.05482	44.0
92.05819	3.4
93.07052	63.9
94.03642	3.5
94.07362	6.2
95.04974	11.5
95.08615	64.8
96.05299	3.3
97.06534	7.7
97.10168	6.3
105.04556	4.4
105.06456	4.6
105.07046	44.9
106.07365	4.4
107.08595	46.4
109.06531	7.0
109.10168	29.0
111.08109	5.9
117.07027	13.1
119.08583	34.7
120.08920	5.3
121.06497	6.2
121.09361	5.7
121.10140	27.7
123.04478	3.4
123.08118	4.5
123.11671	16.9
125.09615	4.9
129.07060	5.5
131.08569	27.9
133.10121	29.8
134.10535	3.8
135.11713	22.5
137.13275	6.8
141.06995	3.8
143.08592	6.2
145.10126	24.6
146.10526	3.9
147.11697	23.6
148.12071	3.9
149.13260	19.3
151.11293	3.1
157.10143	11.7
157.54941	2.9
157.71408	3.1
159.11707	18.2
161.13292	9.6
163.14848	4.0
171.11714	6.9
173.13257	10.5
175.14824	4.2
183.11671	4.6
185.13243	5.0
187.14861	9.4
193.12213	4.6
194.12697	6.2
197.13318	6.0
201.16447	3.6
211.13278	6.8
249.21512	3.3
259.20612	3.9
259.51602	3.4
261.22113	15.8
267.15921	7.1
269.17535	16.9
301.25284	5.3
335.25751	8.2
372.89792	3.4
400.80789	3.4
437.34064	9.4
455.34900	11.3
473.36078	9.9
503.37155	4.5
529.38843	64.0
547.39966	84.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.4
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.3
55.01870	4.9
55.05515	24.3
56.00791	1.1
57.03438	9.0
57.07067	4.6
59.04995	1.3
65.03928	2.2
67.05505	71.1
69.03424	3.3
69.07069	20.7
71.00072	2.6
71.04995	5.4
71.08631	2.0
79.05492	38.4
81.03419	35.4
81.07059	76.1
83.04977	8.7
83.08621	20.5
85.02905	16.1
85.06544	2.4
91.05484	34.9
93.07048	30.7
95.04965	17.9
95.05533	1.4
95.08614	43.3
97.02888	3.1
97.06538	6.6
97.10175	9.3
99.08077	2.0
105.04521	1.6
105.07030	25.7
107.04996	4.5
107.08601	18.6
109.06512	2.8
109.10159	19.2
111.08091	8.4
113.05969	1.7
115.05451	1.9
117.07033	4.2
119.08584	21.6
120.52558	1.3
121.06491	1.6
121.10146	17.1
123.08051	2.3
123.11707	8.7
125.09654	3.4
129.06992	7.7
131.08574	10.8
133.10149	13.2
135.08095	2.1
135.11711	5.9
137.09692	1.5
137.13289	2.7
142.07816	1.3
143.08545	1.9
145.10118	8.0
147.08078	2.7
147.11703	14.4
149.09679	4.2
149.13271	3.0
155.32100	1.2
157.10136	10.0
159.11766	2.0
161.13280	3.9
163.14828	1.9
165.12839	2.9
171.11734	1.7
175.11165	7.1
175.14867	3.9
180.82584	1.4
189.16367	1.9
193.12238	37.2
197.13318	1.5
211.13293	37.5
211.15172	2.3
216.43834	1.2
227.12817	1.7
245.22742	2.7
263.23621	7.1
267.15848	7.7
288.50574	1.4
303.26819	1.5
305.24686	1.3
337.27460	4.5
437.33957	3.9
455.35196	4.1
473.36618	3.4
511.37875	1.7
529.38959	20.8
531.28247	1.3
547.39960	100.0
548.39612	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.4
53.03948	4.9
55.01878	4.4
55.05515	30.5
56.09066	1.5
57.03443	7.0
57.07077	5.8
65.03939	2.8
67.05507	92.6
69.03418	2.9
69.07072	22.1
71.05003	8.3
71.08633	3.7
71.62214	2.1
79.05498	40.1
81.03423	44.5
81.07060	78.3
82.07413	1.5
83.04993	11.1
83.08624	25.3
85.02905	21.2
85.06559	4.3
87.50533	1.8
91.05484	40.1
93.07051	35.7
93.07611	2.8
95.04984	26.4
95.08612	53.9
96.08973	1.6
97.06546	6.4
97.10181	9.5
99.08135	3.2
105.07041	27.1
107.04986	6.2
107.08600	18.3
109.06538	3.7
109.10154	25.2
111.04507	1.9
111.08095	9.8
115.05482	2.2
117.07049	5.0
119.08587	27.3
121.10139	19.8
123.08083	2.1
123.11712	10.1
125.09653	5.7
125.90982	1.7
129.06995	9.0
131.08591	12.0
133.06549	2.3
133.10149	16.1
135.11734	7.3
137.09676	3.3
137.13313	4.7
145.10159	6.2
147.08122	2.3
147.11687	15.6
149.09639	5.2
149.13313	3.9
151.14781	1.8
153.12810	2.6
157.10121	9.7
159.11725	2.6
161.13315	4.8
163.11301	2.1
163.14865	4.1
165.12856	2.1
171.11687	2.0
175.11232	9.9
175.14842	2.0
177.16502	1.7
187.14850	1.9
189.11288	2.3
189.16426	2.5
193.12263	44.3
211.13306	43.8
211.15160	3.5
245.22675	3.4
261.22049	2.4
263.23813	5.2
267.16034	6.6
337.27463	4.0
437.34299	4.0
455.35516	4.6
473.36481	2.7
503.37512	2.3
529.38977	16.5
547.40106	100.0
548.40240	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71849	0.5
61.68282	0.5
62.89685	0.5
69.03431	0.8
69.30292	5.5
70.06592	1.1
73.06554	2.6
85.02949	0.8
87.04467	13.2
89.06033	100.0
96.79221	0.6
107.07066	2.0
117.09130	0.8
117.58008	0.6
121.06487	0.7
124.11250	0.6
131.07057	2.9
133.08606	50.4
139.05847	0.5
153.01813	0.6
156.65469	0.5
167.07051	6.2
173.05954	0.6
175.09686	1.3
177.11226	11.6
193.08569	0.7
205.08621	1.6
221.13797	0.9
265.42700	0.6
385.16605	0.9
385.24411	0.7
535.01581	0.5
547.21735	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01857	2.6
55.05518	23.0
57.03438	14.2
57.07064	5.4
65.03925	3.1
67.05509	96.1
69.06709	2.3
69.07069	26.5
70.78344	4.1
71.04977	5.6
71.08592	2.0
73.69372	1.8
79.05051	3.0
79.05495	52.2
81.07059	100.0
83.04964	7.6
83.08626	17.3
85.06523	4.1
91.05484	37.7
93.06458	4.0
93.07047	70.6
95.04969	5.0
95.08612	66.7
97.06521	7.8
97.10151	5.3
99.08082	4.1
99.73816	1.9
105.07040	28.5
107.08599	41.4
109.06528	5.7
109.10159	32.3
111.08089	5.8
117.07043	15.6
119.08583	26.9
121.10146	30.2
123.11706	12.2
125.09641	3.4
129.06979	5.2
131.08548	21.1
133.09360	2.1
133.10150	22.2
135.11696	21.8
137.13245	3.2
143.08546	5.4
145.10135	17.8
146.07924	1.7
147.11703	18.6
149.09625	2.2
149.13278	28.4
151.11209	2.2
152.10092	1.8
155.08578	3.1
156.56502	1.9
157.10139	8.2
159.11708	19.5
161.13252	8.2
163.03812	2.1
163.14824	3.5
165.12746	4.3
169.10127	2.7
171.11732	4.4
173.13264	12.8
175.14914	4.0
177.12732	3.5
183.11693	4.1
185.13269	3.1
187.14767	4.6
195.13757	13.0
197.13412	2.0
199.14816	2.7
201.16367	2.5
229.14284	2.8
237.16344	2.2
243.21056	4.5
247.20657	2.4
259.20636	3.1
261.22156	23.5
267.15869	7.2
269.17444	34.5
277.21756	2.9
279.23114	3.1
287.23639	3.6
299.23755	3.1
301.25134	6.0
317.24808	4.5
335.25787	25.7
379.48413	2.1
419.33170	3.7
437.34100	13.2
455.35220	14.6
473.36392	9.6
503.37201	3.8
511.37875	3.6
529.38928	72.3
547.39917	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.5
55.01853	0.5
55.05516	0.5
56.96576	0.6
57.86036	0.4
67.05509	1.0
69.03425	2.3
69.07053	1.1
71.04975	0.4
71.61986	0.6
79.05476	1.5
81.03398	2.1
81.07055	2.3
83.04980	0.5
85.02878	1.2
89.03916	5.8
91.05477	2.4
93.07025	1.4
95.04942	1.0
95.08617	0.9
97.02882	0.8
98.97574	0.7
99.04494	0.6
101.48193	0.4
103.05466	0.7
105.07026	3.3
107.04924	0.8
107.08586	4.0
109.02872	1.5
109.06493	1.0
109.10146	1.0
117.03384	17.6
117.07018	0.7
119.04913	0.8
119.08568	1.6
121.06535	0.8
121.10159	2.1
122.07292	0.8
123.08041	0.5
127.03926	1.2
131.08585	0.8
133.10129	16.9
134.03603	1.3
135.04445	1.3
135.08066	2.1
137.06018	0.7
137.09622	7.8
145.02847	43.4
147.04449	2.0
147.07994	0.5
147.11688	0.6
149.05978	6.0
149.09537	0.5
149.13235	1.6
151.03870	0.5
153.01826	1.4
158.99724	0.4
161.09563	0.6
163.14766	0.5
167.06966	1.2
173.13358	0.9
177.05469	100.0
178.05849	0.5
186.05443	0.9
191.14311	5.9
195.06523	1.5
199.14580	0.6
271.06015	5.0
287.05536	5.2
321.09586	2.7
339.10834	5.1
339.22150	0.7
355.21527	1.1
529.19427	0.5
547.24414	1.6
547.32086	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	547.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05511	1.0
69.03426	1.3
69.07067	0.4
70.06578	0.7
71.62112	0.4
81.03408	0.7
81.07062	1.1
85.02864	0.8
87.92432	0.4
91.05470	0.9
93.07044	1.1
94.06492	0.4
95.04953	0.6
95.08613	0.7
97.02906	0.5
98.97577	0.9
105.07036	1.0
107.08566	0.4
109.02852	0.6
109.06529	0.4
109.10168	0.5
111.04465	0.5
115.05424	0.4
117.47845	0.4
119.04957	0.6
121.10140	0.7
121.37251	0.4
124.11284	0.5
125.09660	2.0
127.03911	1.1
129.07019	0.5
131.04918	0.6
131.08536	0.6
133.10117	0.6
135.04398	0.4
137.05963	1.9
138.05484	0.6
147.04410	1.6
149.09607	0.5
153.01839	1.1
155.01695	0.4
161.05978	0.6
161.09653	0.4
166.04991	0.5
167.07028	1.2
175.07646	0.4
177.05452	0.6
179.10690	0.5
181.04997	0.8
183.08069	1.6
189.09140	0.6
190.38174	0.4
221.04922	0.4
224.74731	0.4
245.04967	0.5
287.05502	1.7
299.05542	0.8
321.10931	0.7
353.13995	0.6
371.14844	1.7
393.11862	0.5
425.38135	0.5
538.56866	0.5
546.33887	0.4
547.17816	100.0
547.34467	27.5
548.18262	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	547.239
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84330	1.0
53.03940	4.5
55.01863	3.8
55.05510	6.5
55.19725	1.1
57.03441	7.2
60.43551	1.0
61.02932	10.9
63.93594	1.1
69.03432	35.9
69.07066	1.8
70.06564	1.9
71.04989	3.8
73.02917	5.5
79.05476	5.2
81.03418	11.6
81.07053	1.7
83.04980	7.1
83.08589	1.2
85.02905	100.0
87.04461	4.6
91.03950	3.8
91.05502	5.3
93.07040	4.7
95.04971	5.6
95.08635	5.8
97.02896	31.3
97.06521	2.2
99.04447	6.2
103.05524	1.1
105.07029	3.1
107.04951	1.1
107.08588	3.7
109.02872	11.8
109.06498	4.8
111.08101	1.2
119.08580	2.4
121.06512	45.5
121.10148	3.5
122.07270	1.7
123.04507	1.2
123.08071	64.7
125.05962	3.5
127.03921	25.7
131.08565	1.2
133.10095	2.1
135.08047	3.5
135.11691	3.4
137.05984	4.6
137.09612	2.4
139.07553	10.1
145.04961	34.8
147.11665	1.4
149.05984	4.0
149.09633	13.7
149.13246	1.2
159.11662	1.8
161.09656	2.5
163.06061	2.8
163.11218	6.9
165.09120	83.5
167.07008	2.6
177.12724	10.4
179.10663	6.8
187.11148	1.1
189.12730	2.1
191.10706	2.0
205.12241	39.3
207.13808	16.1
221.11685	2.0
223.13290	69.9
228.12248	1.1
283.11520	2.0
289.14398	2.9
311.11310	2.7
344.23004	1.1
349.16360	1.2
367.17645	2.7
372.25763	1.3
381.59906	1.2
385.18527	16.7
445.84457	1.2
480.14755	1.1
547.21533	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.6
55.01878	3.9
55.05509	31.1
57.03436	8.3
57.07074	1.8
59.04996	1.7
59.53645	1.6
65.03929	3.0
67.05504	63.5
69.03434	5.9
69.07063	15.0
69.52148	10.9
71.04987	5.3
74.09738	1.4
79.05042	2.8
79.05491	38.5
81.03416	23.8
81.07059	56.3
83.04974	5.0
83.08618	22.1
84.01900	1.7
85.02911	1.8
85.06525	2.1
90.62733	1.6
91.05482	29.5
93.07039	35.8
95.04967	19.5
95.08608	36.4
97.06514	5.0
97.10168	17.6
98.20787	1.7
99.08117	2.1
105.07032	31.0
107.04959	8.7
107.08595	28.7
109.06520	5.3
109.10169	24.5
111.08102	4.6
117.07027	14.3
117.76408	1.7
119.08580	24.1
121.06519	7.8
121.10140	19.3
123.08087	4.3
123.11699	9.3
125.09620	18.4
129.06998	8.0
131.08565	25.4
133.06476	2.7
133.10130	18.3
135.08075	5.7
135.11662	9.7
137.09627	3.7
142.07727	2.2
143.08543	8.0
145.06577	2.1
145.10132	18.6
147.08057	2.9
147.11676	15.7
149.09644	4.0
149.13272	4.5
153.06961	1.4
154.36356	1.7
155.08585	5.2
157.10149	10.5
159.08116	2.3
159.11674	14.6
161.09653	2.6
161.13303	7.8
163.11125	2.9
163.14871	1.9
169.10153	4.4
171.10269	3.5
171.11711	6.9
173.09662	2.2
173.13248	11.0
175.11192	3.8
175.14799	4.3
181.10097	1.8
183.11707	3.4
185.13202	3.9
187.14815	3.9
189.09636	1.9
189.11200	9.8
193.12267	10.7
195.11740	2.1
197.13298	4.8
199.14812	2.5
201.99443	1.6
205.16046	2.0
209.13318	1.7
211.13158	2.1
219.13908	1.8
219.17505	1.9
227.12767	15.8
227.14655	2.1
232.62880	2.1
233.15588	1.9
243.21162	3.0
247.16992	4.7
249.14810	2.5
261.22150	13.0
267.15900	23.7
279.23181	3.4
283.24258	1.9
285.22198	5.1
287.20114	2.8
299.23441	3.5
301.25217	19.5
303.23120	2.1
317.24677	3.1
335.25745	14.7
357.27814	2.3
364.73920	1.7
407.24344	1.6
421.25784	2.5
435.27365	3.3
435.32605	9.4
453.33688	17.0
471.34662	12.2
509.36517	3.8
527.37341	58.2
527.45386	3.1
545.38385	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.6
55.01867	5.9
55.05515	29.6
57.03428	10.1
60.07762	1.6
64.80296	1.8
65.03930	2.8
67.05157	3.4
67.05508	62.5
69.03432	3.2
69.07064	20.4
69.66507	1.7
71.04992	4.2
71.08614	1.8
79.05496	46.1
81.03423	23.6
81.07059	62.2
83.04978	6.9
83.08625	20.7
85.06536	3.7
89.49081	1.8
91.04949	3.3
91.05484	35.7
91.05994	1.3
92.28026	1.6
93.07050	38.2
95.04974	20.9
95.08613	37.3
97.06529	7.2
97.10165	18.7
98.20714	5.5
99.08096	2.8
102.43497	1.7
105.07027	32.9
107.04964	6.0
107.08604	27.5
109.06523	5.1
109.10165	22.3
111.08073	5.1
117.07027	15.2
119.08582	26.2
121.06515	8.0
121.10143	18.5
123.08084	6.0
123.11703	7.3
125.09640	18.6
129.07016	10.4
131.08565	26.6
133.06482	2.0
133.10114	18.7
135.08070	7.0
135.11667	10.1
137.09627	3.3
141.07034	2.4
143.08585	7.3
145.10100	16.2
147.08078	3.8
147.11673	16.3
149.09641	5.9
149.13268	7.3
155.08594	3.6
157.10161	9.7
159.11687	17.5
161.09676	2.7
161.13235	8.1
163.11172	3.4
163.14937	2.5
169.10222	3.8
171.10295	2.9
171.11714	7.0
173.13310	7.0
175.11249	2.6
175.14877	4.6
177.12729	3.1
177.16328	1.9
181.10196	2.7
183.11682	3.3
185.13289	5.4
186.06448	1.7
187.11301	2.0
187.13351	3.1
187.14877	6.6
189.11232	10.9
189.12708	2.2
189.16472	1.9
191.14415	2.1
192.81265	1.8
193.10156	1.5
193.12260	10.0
197.13263	2.2
199.14867	5.4
201.09627	1.6
211.13235	2.2
227.12709	12.6
247.16833	2.7
249.15042	3.0
261.22186	10.7
267.15933	25.1
273.18539	1.7
279.23309	1.7
283.23987	1.8
285.22214	3.3
287.20096	3.6
291.22986	2.1
299.23685	2.6
301.25250	20.5
303.23358	2.8
317.24542	4.0
321.20578	1.9
329.21298	2.0
335.25842	14.7
343.23117	2.5
354.08041	1.9
359.25720	3.7
417.31519	4.0
421.25797	2.5
435.32617	9.6
453.33673	17.1
471.34888	11.2
509.35941	2.5
527.37347	58.2
545.38379	100.0
546.38892	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32832	1.7
53.03946	5.0
55.01870	6.5
55.05515	34.5
57.03432	9.1
57.03704	2.0
57.07088	4.8
65.03927	2.1
67.05509	62.7
69.03423	2.2
69.07066	15.8
71.04991	2.7
79.05501	45.3
81.03429	23.1
81.07065	64.8
83.04968	5.9
83.08630	26.4
83.96139	2.0
85.06558	2.6
91.05487	31.2
93.07051	37.1
95.04974	20.5
95.08615	37.7
97.06537	4.6
97.10178	21.4
97.65802	1.8
98.20691	4.1
103.05509	2.4
105.07034	33.5
107.04973	7.5
107.08604	27.4
109.06516	6.4
109.10155	26.8
111.08097	5.7
117.07012	15.4
119.08591	30.2
121.06509	9.9
121.10168	18.7
123.08093	5.9
123.11744	10.4
125.09618	17.3
129.07007	10.0
131.08589	23.7
133.06502	3.1
133.10155	18.0
135.08069	7.0
135.11714	12.1
138.84122	1.9
143.08525	10.7
145.10132	20.1
147.08031	4.4
147.11682	17.9
149.09634	4.1
149.13281	5.4
153.09053	2.2
155.08574	4.5
157.10109	10.4
159.08109	2.7
159.11702	13.4
161.09715	2.5
161.13310	10.1
163.11256	2.9
166.70615	2.2
169.10123	4.8
170.76569	2.2
171.10277	3.6
171.11700	8.4
173.13297	10.2
175.11194	4.4
175.14819	5.5
175.16258	2.1
180.98895	1.8
181.10194	2.9
183.11723	3.3
185.13269	6.9
187.11128	2.4
187.14877	5.7
189.04657	2.3
189.11256	8.9
189.12810	2.6
193.12207	11.8
197.13287	3.2
199.14899	2.9
203.24171	2.0
205.15759	2.5
211.14915	2.5
213.16299	2.1
227.12781	15.6
243.21136	3.9
247.16977	3.5
250.29373	2.1
254.71910	2.2
261.22150	18.5
267.15967	21.7
279.23218	2.7
285.22214	5.8
287.20050	4.9
301.25238	24.0
303.23291	2.5
317.24869	4.4
335.25745	19.7
359.25775	5.2
361.23352	2.4
421.26086	3.3
435.32596	8.3
453.33731	17.6
471.34998	15.3
509.36066	2.7
527.37347	67.8
545.38391	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.0
55.01858	5.2
55.05259	2.4
55.05510	36.8
57.03441	11.7
57.07063	3.5
65.03934	3.1
67.05508	70.3
69.03423	3.3
69.07072	18.9
69.48363	13.8
71.04993	6.7
79.05045	3.2
79.05495	60.2
81.03423	40.9
81.07060	57.5
81.07524	1.5
83.04971	6.7
83.08627	22.6
85.02908	13.6
85.06533	3.0
85.92873	2.0
91.05483	45.7
93.07044	51.5
95.04972	20.1
95.08611	38.4
97.06521	6.8
97.10188	9.8
98.21501	3.2
98.47223	1.6
99.08136	1.9
105.07032	44.3
107.04948	7.4
107.08592	32.1
109.06516	6.2
109.10162	20.2
110.25101	2.0
111.08077	8.9
113.06019	1.8
115.05444	2.2
116.29213	1.7
117.07011	15.1
119.08585	27.6
121.06524	5.3
121.10161	21.6
123.08047	4.3
123.11716	6.0
125.09649	7.9
129.06999	11.4
131.08565	24.0
133.06468	3.6
133.10133	19.5
135.08093	4.1
135.11691	12.4
137.09692	2.4
142.07779	3.0
143.08534	4.6
145.10098	15.3
147.08055	4.9
147.11720	19.5
149.09631	4.9
149.13298	6.0
157.10104	14.3
159.08075	2.2
159.11711	10.2
161.09747	1.8
161.13292	5.7
163.11284	2.6
165.12805	2.2
168.35179	1.8
169.10179	3.6
171.11707	4.9
173.13261	9.5
175.11215	7.7
175.14848	4.1
183.11650	2.5
185.13232	2.8
187.14882	2.2
189.11218	3.9
193.12248	32.3
199.14896	2.1
201.16411	3.1
205.18181	1.8
205.79254	1.9
211.13301	29.8
211.15152	2.4
227.12845	6.8
261.19659	1.7
261.21973	9.2
267.15866	10.5
299.23917	1.9
301.25290	11.4
317.24829	2.6
335.25793	7.1
403.24527	2.3
435.27191	2.4
435.32742	5.8
453.33511	9.8
465.16486	1.9
471.35046	6.4
509.36801	2.3
527.37280	30.4
545.38397	100.0
546.38416	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.3
55.01874	3.1
55.05515	24.6
57.03440	8.7
57.07063	2.1
61.67088	1.1
65.03940	4.3
67.05507	62.1
69.03429	4.5
69.07075	18.6
69.53933	5.2
69.54364	4.5
71.04983	4.8
73.06559	1.4
77.03957	1.8
79.05499	60.2
81.03423	43.8
81.03903	2.0
81.07063	60.1
83.04996	8.3
83.08625	22.5
85.02903	21.4
85.06560	2.0
89.93758	1.2
91.05486	45.9
93.07053	52.3
95.04975	20.9
95.08613	32.4
97.02899	2.3
97.06540	5.9
97.10162	7.1
99.08092	1.4
105.04544	1.6
105.06371	2.4
105.07035	29.8
107.04967	5.9
107.08601	29.1
109.06514	4.4
109.10168	13.4
111.04447	1.5
111.08076	10.0
113.05998	1.8
115.05429	1.7
117.07022	9.4
119.08585	26.0
121.06541	2.6
121.10159	27.1
123.08089	3.7
123.11708	5.8
125.09640	5.0
129.06985	11.5
131.08566	20.6
133.06490	1.8
133.10144	16.6
135.08040	1.5
135.11705	12.3
137.09637	2.2
142.07826	2.5
143.08563	3.6
145.10155	11.9
145.36876	1.6
147.08051	1.8
147.11685	17.9
149.09650	5.7
149.13292	5.8
157.10133	11.9
159.11646	6.7
161.13274	5.8
161.45691	1.3
163.14905	2.5
165.12744	2.4
169.10052	1.4
171.11693	3.9
173.13254	5.7
175.11208	9.4
175.14880	2.0
175.71887	1.2
183.11758	2.1
185.13293	1.4
187.14847	3.4
189.11229	2.4
193.12251	47.6
211.13307	43.9
227.12810	4.1
243.21075	1.9
256.49301	1.5
259.87231	1.3
261.22144	7.7
263.05832	1.5
267.15884	6.5
275.20096	1.5
285.22391	1.6
301.25424	3.5
335.25830	5.5
435.32675	3.9
453.33661	5.1
471.34891	1.6
509.36142	2.1
527.37335	17.3
545.38385	100.0
546.38696	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.2
52.38914	1.5
53.03936	6.2
55.01871	5.4
55.05511	31.0
57.03437	12.4
57.07083	2.8
61.64449	1.7
65.03944	3.8
67.05505	73.7
69.03424	6.4
69.07067	16.2
71.04986	5.6
79.05492	67.6
81.02965	3.2
81.03419	47.5
81.06561	3.4
81.07058	63.7
83.04996	11.9
83.08630	21.6
85.02911	23.1
85.06539	3.0
91.05482	52.7
93.07046	65.3
93.75434	1.5
95.04971	25.3
95.08607	39.9
97.02876	1.6
97.06543	6.0
97.10168	9.2
98.20776	4.5
99.08102	1.9
105.04491	1.9
105.07029	38.2
107.04969	3.8
107.08593	34.8
109.06512	6.4
109.10155	14.5
111.08092	11.3
115.05487	2.0
117.07002	10.0
119.08582	34.4
121.06520	2.7
121.10152	30.5
123.08060	2.9
123.11725	4.3
125.09639	7.0
129.07033	11.8
131.08569	21.0
133.06516	3.0
133.10138	23.0
135.11667	14.6
137.13213	2.2
141.19250	1.8
142.07838	1.9
143.08586	5.7
145.10117	10.4
147.08122	2.1
147.11685	18.0
149.09647	5.3
149.13245	5.9
149.14369	1.6
157.10132	16.8
158.11913	1.8
159.11676	9.8
161.13286	4.8
163.11249	2.1
163.14832	4.2
165.12900	1.9
169.10165	3.0
171.11696	2.4
173.13298	7.1
175.11217	12.1
175.14859	3.2
183.11693	2.1
185.13278	3.9
187.14815	2.2
189.11209	3.3
189.16437	1.7
192.44814	1.8
193.12251	46.9
197.13358	2.5
199.14903	3.3
201.16347	1.7
209.84740	1.9
211.13278	49.8
211.15154	2.5
227.12888	5.0
243.20932	1.9
247.62334	2.0
261.22147	6.6
267.15976	5.4
285.22302	4.0
301.25333	4.6
317.24890	2.1
335.25790	4.1
417.31927	2.1
435.32541	7.2
453.33731	4.5
471.34860	5.4
527.37268	22.2
545.38403	100.0
546.39233	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	544.333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05511	32.6
57.03423	4.1
57.07073	9.2
61.02918	5.0
63.14116	1.2
69.03426	8.7
69.07069	61.3
70.06590	32.8
70.22820	1.2
71.05000	3.1
71.08636	9.7
71.61343	1.7
73.02894	1.3
81.03409	5.6
81.07040	2.4
83.08128	2.4
83.08619	40.2
85.02905	56.8
85.06540	1.6
85.10176	8.2
91.03967	2.1
93.07008	2.1
95.08585	2.5
97.02880	11.7
97.10170	54.6
99.04441	3.0
105.07046	1.4
109.02866	6.5
109.10145	2.8
111.11718	36.5
113.89206	1.3
119.08612	1.5
124.11211	3.7
125.13244	4.8
127.03916	13.4
133.10104	2.0
138.05522	1.7
145.04959	14.2
147.04359	2.1
153.01819	10.1
163.03899	2.3
163.06013	5.7
181.04976	1.9
185.19009	100.0
186.19298	1.5
203.20082	6.8
281.15112	1.9
297.07635	2.8
313.07019	23.7
325.07071	45.7
325.10968	2.4
353.21332	1.5
371.04239	1.4
475.12357	13.1
487.12195	7.4
544.18030	29.5
545.19769	1.7
545.32971	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	545.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35512	0.1
55.01867	0.1
55.05506	0.2
56.33123	0.1
67.01862	0.6
67.05496	0.3
68.99771	0.5
69.03421	0.2
69.07050	0.3
69.07832	0.1
69.61666	0.7
75.11495	0.1
75.55205	0.1
79.05489	0.2
79.43819	0.1
80.79459	0.1
81.03408	0.2
81.07040	0.3
83.88548	0.1
85.02895	0.2
89.03915	0.1
91.05473	0.3
93.07043	0.3
95.04959	0.2
95.08601	0.3
97.02843	0.2
105.07021	0.2
107.04955	0.2
107.08571	0.2
109.02876	0.2
111.04417	0.2
117.03358	0.2
117.07030	0.1
119.08562	0.2
121.10137	0.1
123.08116	0.2
124.11217	0.5
127.03934	0.2
135.04402	1.8
137.02336	0.4
147.04355	0.1
153.01830	5.1
161.02332	0.5
171.02875	0.5
179.03401	0.3
185.05899	0.1
203.03287	0.1
213.05392	0.2
219.06477	0.3
226.55905	0.1
231.06494	0.2
232.73930	0.1
241.04996	0.5
245.99107	0.1
269.04462	0.4
287.05493	100.0
288.05841	1.3
355.81494	0.1
432.68680	0.1
545.16388	1.8
545.23572	1.2
545.33020	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26808	1.5
53.03937	6.9
55.01864	5.5
55.05251	2.3
55.05510	28.5
55.49162	1.6
56.11778	1.6
57.03436	10.4
57.07088	2.7
59.29286	1.6
64.61959	1.5
65.03934	3.4
67.05505	67.2
69.03412	5.5
69.07076	19.4
69.65028	11.5
71.04977	6.4
79.05492	68.1
81.03418	56.0
81.07059	65.6
83.04979	14.9
83.08620	29.8
85.02905	22.2
85.06541	2.1
86.80080	1.7
91.04952	3.3
91.05480	51.2
93.07046	60.2
95.04972	26.9
95.08605	37.3
97.02863	1.7
97.06527	6.9
97.10150	8.9
105.04530	1.9
105.07033	41.5
107.04944	5.3
107.08595	30.6
109.06525	6.0
109.10146	19.2
111.04450	2.0
111.08056	9.3
112.22982	1.8
113.05974	1.9
115.05512	2.4
117.07023	12.1
119.08582	33.9
121.06488	3.2
121.10152	28.2
123.08057	4.2
123.11726	4.7
125.09667	4.8
127.88464	1.9
129.07016	10.3
131.08572	26.1
133.06491	3.7
133.10139	17.7
135.11691	13.8
137.09595	2.5
141.07014	2.0
143.08626	3.9
145.10124	11.8
147.08067	3.4
147.11687	16.2
149.09628	5.3
149.13246	5.1
157.10124	12.0
159.11703	10.4
161.13258	5.9
163.11253	2.6
163.14772	2.9
165.12737	2.3
169.10167	2.1
171.11647	2.0
173.13254	4.6
175.11211	11.4
175.14757	3.0
181.10005	2.1
185.13365	2.1
187.14883	4.2
189.11205	2.4
192.79359	1.9
193.12238	48.6
196.66293	1.6
197.13261	2.1
211.13304	45.0
227.12782	3.6
243.21196	1.7
261.22156	6.8
267.15887	8.2
278.41977	1.8
301.25339	7.3
335.25784	5.4
357.20749	1.7
359.25833	1.8
377.52264	1.7
417.31699	1.8
417.48126	2.1
420.65323	2.0
435.32553	4.2
453.33911	2.7
471.35052	2.3
509.08917	2.1
527.37408	26.8
545.38354	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.218
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.5
65.03928	0.1
67.05494	0.9
68.05025	0.4
69.07040	0.2
70.06594	0.2
71.04947	0.2
71.61374	0.1
72.14410	0.1
78.75464	0.1
79.05486	0.4
81.03414	0.2
81.05780	0.1
81.07043	0.2
82.06580	3.0
83.07356	0.2
86.09708	0.2
91.05482	0.4
94.06551	0.2
95.01322	0.3
95.07354	0.2
95.08611	0.3
96.08122	3.1
97.02934	0.1
98.09692	0.5
105.07025	0.1
107.04938	0.3
109.02891	0.2
109.08922	0.2
109.10134	0.1
119.08572	0.3
122.09658	0.3
124.11230	100.0
125.11576	0.6
141.65392	0.1
145.06490	0.5
147.08054	2.3
153.01830	0.5
173.06013	0.4
191.07025	0.4
270.14825	0.8
284.79761	0.1
288.15973	0.8
334.18628	0.2
544.21796	8.0
544.30756	0.5
545.22217	0.2
555.06610	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	544.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54831	1.1
53.03949	1.4
55.05256	2.0
55.05513	28.4
57.03429	3.0
57.07083	7.2
61.02921	3.4
67.05506	1.6
69.03442	8.0
69.06718	2.4
69.07076	44.9
69.59496	4.0
69.59925	3.6
70.06595	1.7
71.08652	5.9
73.02882	1.3
79.05517	1.2
81.03422	4.2
81.07067	2.4
83.08624	31.8
85.02910	37.5
85.10192	8.8
91.03941	1.4
91.05504	1.6
93.07062	1.4
95.08595	1.5
97.02905	9.1
97.10175	47.1
99.04437	2.6
105.73764	1.2
109.02869	2.5
109.10185	1.2
111.11725	28.1
125.13267	4.7
127.03928	9.4
131.02940	1.1
145.04944	11.9
153.01910	1.1
161.06073	1.1
163.06050	3.9
163.66240	1.2
185.19022	100.0
189.18893	1.1
270.18399	1.1
287.05771	1.3
325.07059	1.3
481.34741	1.3
544.31873	2.8
545.33289	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	544.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69683	0.1
53.96723	0.2
55.05517	0.7
67.05491	0.4
68.05029	0.3
69.03427	0.2
70.06603	0.3
71.60882	0.2
79.05492	0.5
79.05910	0.1
80.05029	0.2
81.03458	0.1
81.05785	0.1
81.07053	0.2
82.06582	2.5
83.07328	0.2
85.02879	0.3
85.57674	0.1
85.66457	0.1
91.05513	0.3
94.06578	0.2
95.01334	0.2
95.07342	0.2
95.08608	0.3
96.08131	3.3
97.02903	0.2
98.09693	0.6
105.07025	0.2
124.11233	100.0
125.09631	0.6
125.11548	0.7
147.08075	0.8
153.01845	1.4
157.26845	0.1
173.06003	0.2
178.40402	0.1
215.00728	0.2
270.14749	0.2
285.07480	0.4
288.15866	0.2
304.86307	0.2
321.21527	0.2
490.76767	0.2
544.21899	4.3
544.30750	0.2
545.16193	0.3
550.44434	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	544.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	1.0
55.04253	0.8
57.03416	0.4
67.05509	0.6
69.03465	0.5
69.07069	0.5
70.06593	100.0
71.05015	0.5
71.19987	0.6
81.03417	0.5
81.07093	0.4
82.52921	0.4
85.02901	0.5
91.05517	0.6
93.07063	0.5
95.04965	1.0
97.02900	0.4
105.07062	0.4
109.10186	0.5
112.95123	0.4
121.02871	0.5
130.45816	0.4
135.04387	1.9
137.02338	7.2
137.03400	0.5
137.05934	0.5
145.02867	1.2
146.05974	0.6
147.04462	0.9
153.01849	1.2
154.95882	0.4
156.23898	0.4
157.04901	0.4
161.02391	0.7
162.05493	0.5
163.03917	5.5
167.06978	0.4
169.67990	0.4
173.02408	0.7
174.05499	1.0
179.03432	1.1
181.04950	0.9
190.04956	0.6
191.03392	19.5
209.04552	0.6
251.07050	0.6
255.06624	0.6
279.06421	0.4
287.05188	0.5
297.07565	5.5
310.04834	0.7
313.07056	43.9
314.07529	0.6
325.07068	70.4
326.07361	1.1
382.12967	2.6
475.12418	17.4
487.12366	18.8
487.19421	1.1
544.18091	36.5
544.31390	0.9
545.18475	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51388	0.4
53.03949	0.6
57.03411	0.3
61.09496	0.3
63.02370	0.4
69.03442	1.6
69.75053	1.2
69.75460	0.6
70.06591	0.8
77.80504	0.4
80.86656	0.3
81.03420	3.8
85.02913	1.4
89.03923	6.3
91.05495	0.6
92.46572	0.4
97.02904	0.7
98.09689	0.9
98.20750	0.3
99.04431	0.3
109.02879	1.3
117.03383	18.1
119.04945	0.4
124.11224	1.4
125.11594	0.3
127.03928	1.0
132.04451	9.1
133.06523	0.4
134.03618	1.4
135.04420	1.0
145.02849	45.1
146.03242	0.4
147.04434	0.5
149.05989	6.5
153.01799	1.4
158.74130	0.3
160.03947	0.6
162.03168	0.4
162.19469	0.3
162.99362	0.3
163.03882	0.4
177.05475	100.0
178.04988	64.0
179.05350	0.6
184.40863	0.4
186.05576	0.6
195.06451	0.5
206.04491	87.7
207.04781	1.1
313.06937	0.7
314.07358	0.8
315.07611	0.6
321.05911	0.6
321.09686	7.8
339.10760	3.7
368.09872	1.1
412.16574	1.4
544.19006	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3685
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03953	1.7
55.01867	2.8
55.05514	15.8
57.03440	5.5
59.05018	1.2
59.07997	0.7
65.03929	1.3
66.39056	0.7
67.05161	1.4
67.05511	29.0
69.03424	2.0
69.07068	10.3
69.25593	8.9
71.05003	1.8
79.05496	19.0
79.17738	0.8
81.03414	6.3
81.07062	23.6
83.04974	3.7
83.08627	7.8
85.02912	1.1
85.06551	2.0
87.93498	0.8
91.05486	19.0
91.06020	0.6
93.07046	17.9
95.04981	7.3
95.08619	14.2
97.06538	3.0
97.10178	8.1
98.21520	1.8
103.05476	1.1
105.04591	0.8
105.07037	17.5
107.04971	2.8
107.08598	11.4
109.06534	0.9
109.10168	8.1
111.08098	1.9
115.05456	1.8
116.44227	0.8
117.07032	10.8
119.08587	12.1
121.06519	2.9
121.10142	5.6
123.08088	1.8
123.11714	2.5
125.09656	4.8
128.06270	2.2
129.07027	10.1
131.08577	17.9
133.06454	0.8
133.10144	8.0
135.08073	3.4
135.11714	4.0
137.09637	1.5
141.06999	3.3
142.07794	2.7
143.08556	11.9
144.09361	1.1
145.06523	3.4
145.10141	13.5
147.08069	2.4
147.11705	6.9
149.09682	1.3
149.13199	1.9
153.07108	1.1
154.07849	0.8
155.08554	7.6
156.09331	2.0
157.06546	1.5
157.10144	9.1
159.08046	4.0
159.11700	9.0
161.09650	1.4
161.13298	3.7
163.11197	2.0
167.08577	3.5
169.10136	6.2
171.08095	2.0
171.11702	7.5
173.09641	1.6
173.11862	1.6
173.13312	6.2
175.11209	1.4
175.14874	1.0
179.08658	1.5
181.10107	5.1
182.10912	1.0
183.11690	6.7
184.07419	2.2
185.09671	2.0
185.13315	7.2
187.11212	2.1
187.14859	2.1
189.11256	2.7
189.12816	1.1
193.10074	0.9
193.12311	2.0
195.11632	4.2
197.13242	4.6
199.11179	1.9
199.14871	3.3
201.12732	1.6
201.16438	1.1
207.11749	1.7
209.13339	2.5
211.14912	2.6
213.12866	1.0
219.11769	1.1
221.13358	1.1
223.14920	1.9
225.16457	2.0
227.12874	3.1
235.14883	1.2
237.16533	1.1
239.18076	1.1
241.19682	1.2
259.20645	3.5
263.17886	1.1
265.19733	0.9
267.15961	3.5
275.20166	1.8
283.20596	1.7
295.20792	1.2
297.22214	2.7
299.23767	6.2
301.21545	1.5
311.23434	1.3
315.23444	1.7
321.21896	1.2
323.23724	1.3
325.21732	1.7
327.23514	1.1
333.24426	1.7
339.23428	1.4
353.24860	1.3
357.24042	1.1
415.30026	2.3
423.33005	2.2
433.30988	6.6
441.33508	1.2
451.32114	9.7
469.27539	1.0
469.33124	5.9
487.33972	1.3
507.34756	2.7
515.37439	3.1
525.35748	20.0
543.36884	100.0
544.37213	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.2
53.03954	4.7
55.01884	4.4
55.05512	16.0
57.03424	3.1
57.07059	2.7
65.03941	2.1
67.05504	41.6
69.03422	2.8
69.07071	12.5
69.32019	8.6
70.21597	0.8
71.04984	3.4
73.02912	1.6
76.94150	0.8
77.03896	1.1
79.05495	52.9
81.03420	4.5
81.07059	39.2
81.56904	0.8
83.04975	4.8
83.08624	9.8
85.06527	1.2
85.32381	0.8
91.05480	28.6
93.07044	61.9
95.04977	8.8
95.08605	46.8
97.02937	4.1
97.06525	4.5
97.10167	3.1
99.04468	3.2
103.05409	1.0
105.04507	1.4
105.07034	25.3
107.04955	7.9
107.08592	38.6
109.06512	2.6
109.10159	8.1
111.04443	1.5
111.08058	1.0
115.05445	0.9
117.07015	14.8
119.08579	16.5
121.06501	6.9
121.10139	22.8
123.08038	1.2
123.11683	2.6
125.05981	2.9
125.09588	1.3
128.06242	1.0
129.07042	1.9
130.07771	2.9
131.08562	8.7
133.10136	10.4
135.08066	2.3
135.11694	46.9
139.07494	1.0
139.11110	0.9
143.08536	3.2
145.06552	1.1
145.10126	27.0
147.11703	3.7
149.13268	3.6
151.11194	1.1
153.12660	1.0
157.10091	1.3
159.11650	4.5
161.13264	3.3
163.11182	52.3
169.10268	1.1
171.11586	1.1
173.13266	3.6
175.14897	1.2
181.12225	13.4
185.13341	1.2
187.14844	1.8
199.14824	1.4
201.16423	1.0
209.11699	2.1
227.12784	100.0
242.65202	0.9
243.21077	2.3
261.22095	5.4
299.23602	1.6
317.24768	3.5
433.30957	0.9
451.32285	1.4
469.33096	1.5
487.34558	1.2
525.35559	2.8
543.36823	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
57.70622	0.5
59.46186	0.7
60.17358	0.5
71.60977	1.1
114.39670	0.6
260.53854	0.6
268.44888	0.5
278.22858	0.7
290.90530	0.6
323.48221	0.6
381.07962	17.8
522.17804	0.5
525.13745	0.7
543.13251	100.0
544.13660	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05112	0.1
53.03950	0.2
55.05506	0.2
56.96571	0.2
65.08356	0.1
67.01870	0.7
67.05502	0.2
68.99794	0.4
69.03421	0.7
69.07069	0.1
70.91331	0.3
71.04990	0.2
79.05486	0.3
81.03418	1.0
81.07054	0.3
83.04964	0.1
85.02911	0.6
89.03942	0.2
91.05472	0.4
92.83264	0.1
93.07038	0.2
94.25368	0.1
95.01342	1.1
95.04981	0.1
95.08592	0.2
97.02876	0.6
97.06530	0.1
99.04447	0.2
103.05433	0.1
105.07051	0.2
107.04942	0.1
107.08569	0.3
109.02868	0.9
109.06518	0.1
109.10146	0.4
110.68395	0.1
111.04420	0.1
111.08080	0.1
113.01670	0.1
113.02373	1.1
117.03365	0.1
119.04937	0.2
119.08601	0.1
121.06466	0.1
121.10178	0.2
125.02445	0.1
127.03939	1.1
129.01823	0.3
130.06412	0.1
131.04900	0.3
133.10121	0.3
135.04422	1.8
135.11702	0.2
137.02333	0.8
137.06000	0.2
137.09584	0.2
145.05058	0.2
147.04416	0.4
153.01825	6.3
161.02365	0.7
163.03923	0.4
165.08943	0.1
167.94977	0.1
171.02895	0.7
179.03415	0.4
184.05176	0.1
187.24474	0.1
203.03227	0.2
219.06493	0.2
239.05589	0.8
241.04924	0.8
245.04562	0.2
269.04498	0.4
287.05493	100.0
288.05820	2.0
328.44830	0.1
334.95047	0.1
381.26276	0.2
443.42703	0.1
543.10925	0.4
543.18835	0.4
543.30688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
54.05916	0.2
55.01839	0.3
55.05490	0.2
57.03402	0.5
67.01831	0.6
68.99759	0.4
69.00103	0.2
69.03435	3.8
69.07039	0.2
70.06594	1.0
71.04954	0.7
73.02872	0.6
79.05463	0.3
81.03419	4.8
81.07032	0.4
83.04974	0.2
85.02909	2.7
91.05471	0.2
95.01331	13.6
95.08608	0.3
97.02899	3.3
99.04456	1.5
107.04935	0.2
107.08550	0.3
109.02882	4.3
109.06467	0.2
109.10106	0.5
112.07502	0.2
113.02374	9.5
117.03332	0.3
119.08543	0.3
121.06406	0.2
121.10108	0.3
124.11226	0.2
127.03917	4.8
133.10091	0.3
135.04413	1.9
137.02307	0.7
137.05917	0.3
137.09535	0.2
145.04924	0.4
153.01833	5.9
157.06474	0.2
161.02307	0.4
163.11182	0.2
167.07013	0.2
171.02928	0.4
171.04393	0.2
179.03424	0.2
191.03320	0.2
191.14233	0.3
213.05363	0.2
231.06474	0.2
239.05527	5.2
241.04860	0.3
257.06650	0.2
258.05258	0.3
269.04425	0.6
286.04776	0.5
287.05502	100.0
288.05811	1.6
288.71750	0.2
296.69757	0.2
313.07123	0.3
325.06998	0.4
329.06564	0.3
381.26154	0.3
543.11395	7.1
543.18701	0.6
543.31598	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.72873	0.6
59.81575	0.7
69.95281	1.1
69.95683	2.1
71.37957	0.6
74.09976	0.6
74.80022	0.6
95.89454	0.6
119.01973	0.5
122.31750	0.6
170.82936	0.7
249.69733	0.7
297.55157	0.7
308.27197	0.7
381.07941	16.5
543.13226	100.0
544.13538	1.6
559.21552	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81353	0.1
67.01872	0.5
68.99796	0.4
69.03436	0.1
69.70894	0.4
69.71306	0.2
75.67372	0.1
81.03410	0.3
85.02890	0.1
89.03921	0.2
95.01320	0.5
97.02854	0.1
105.69548	0.1
107.04913	0.1
109.02872	0.2
111.00795	0.1
113.02342	0.5
117.03376	0.2
127.03924	0.3
129.01808	0.1
135.04430	2.1
137.02332	0.5
143.01299	0.1
153.01833	5.1
161.02377	0.5
171.02921	0.4
171.04369	0.1
174.39977	0.1
179.03421	0.3
199.03877	0.1
203.03372	0.1
213.05554	0.2
219.06587	0.1
231.06485	0.1
239.05489	0.3
241.05000	0.5
245.04442	0.2
269.04333	0.5
287.05499	100.0
288.05780	1.0
333.34021	0.1
497.64389	0.1
543.11414	1.5
543.24280	0.1
543.31769	0.2
545.79785	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	542.2501
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55378	0.4
58.88294	0.4
60.67152	0.4
69.03442	0.5
69.07063	0.7
75.51830	0.4
85.02889	0.5
93.07068	0.5
94.06562	0.7
105.07054	0.5
108.08103	1.4
109.02904	0.6
113.02355	0.5
122.06034	0.9
127.03918	0.8
137.05942	0.6
140.07079	0.9
147.04378	0.5
148.07503	0.5
150.09134	1.0
153.01845	1.1
167.07179	0.5
172.03879	0.5
176.07210	0.5
188.03394	0.6
207.87477	0.4
222.11453	0.5
223.12350	3.6
224.13106	2.0
225.13892	0.6
235.08730	1.3
235.12285	0.6
236.09479	1.5
236.12944	0.6
237.10223	8.2
237.13832	2.5
238.10832	1.0
239.11604	0.5
248.09697	0.5
249.10237	4.7
250.10971	4.3
251.11790	22.4
252.12466	1.7
253.09738	0.9
253.13370	0.5
254.10164	0.6
255.10153	0.5
263.11795	4.2
264.08774	0.5
264.12555	3.0
265.09769	10.5
265.13376	17.6
266.10150	0.9
266.14233	1.0
266.17285	0.4
267.11230	1.4
267.14508	0.4
268.12061	1.9
269.12802	1.7
275.11810	0.5
277.09689	1.5
278.10471	1.0
279.11285	9.3
280.11578	0.5
281.12814	2.0
282.13632	2.8
283.14398	9.4
287.05472	5.6
291.11353	2.8
292.12027	1.0
293.12827	7.3
294.09604	0.4
294.13565	0.9
295.10803	1.2
295.14243	1.0
296.11713	0.7
297.12354	5.4
298.12772	1.0
309.12320	5.2
310.13104	9.2
311.13907	24.1
312.14285	0.4
313.11353	0.7
314.11737	0.7
319.10767	1.7
320.11575	1.5
323.14005	1.6
324.14764	0.7
325.11887	0.9
325.15558	1.1
327.13281	0.7
328.13705	1.7
329.14023	2.6
337.11844	4.7
338.12601	5.0
339.13242	2.3
340.13733	2.4
341.14188	3.8
342.15836	1.0
351.13489	1.1
352.14172	9.3
355.12231	0.5
367.12744	1.0
368.13284	1.8
369.14264	9.9
370.15237	100.0
371.15833	2.2
401.17010	3.9
402.17767	1.5
410.16037	0.8
478.19714	3.2
492.21429	1.6
510.22211	30.2
511.22589	0.6
542.24371	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22430	2.6
53.03947	2.5
54.55194	2.2
59.22817	2.6
64.12543	2.4
67.05499	3.3
69.03431	4.1
69.37455	18.9
70.06592	5.4
71.09691	2.3
72.18090	2.6
73.57288	2.3
79.01826	3.4
79.05473	3.7
81.03407	10.7
81.07055	3.8
85.02918	7.6
85.06527	2.8
87.14122	2.6
91.05457	5.9
93.07034	6.1
97.02885	6.6
98.97584	6.1
101.14407	2.2
103.05487	5.4
105.07005	8.5
107.01303	2.7
107.08591	4.8
109.02892	7.1
109.10168	3.0
115.05469	2.3
119.04896	2.4
120.08077	2.5
121.06499	4.3
121.10137	4.6
122.03635	3.8
123.08149	2.3
124.11207	11.9
125.02361	2.4
127.03920	10.8
128.04243	3.7
128.98622	2.3
131.04924	8.7
133.06500	14.6
133.10126	5.0
135.08028	5.2
137.05984	87.3
137.24727	2.4
143.03371	3.6
145.06519	3.8
147.04369	3.3
149.09627	86.0
150.09947	54.2
151.07576	4.1
151.11160	2.7
153.01839	100.0
154.02162	34.3
154.03299	4.9
157.63336	2.3
163.07556	30.5
171.02898	6.1
172.03320	2.7
177.09081	5.0
188.03360	2.9
191.14351	5.7
192.14735	4.3
208.09715	4.1
209.15373	12.0
210.15706	6.9
218.08121	8.3
284.70593	2.8
295.13242	10.2
297.06177	3.0
298.06335	3.2
308.84525	2.5
315.07074	5.6
316.07382	5.6
327.15875	20.7
353.11346	2.8
371.12271	3.7
379.18805	4.3
380.19263	7.8
492.17325	2.8
510.18280	2.8
542.21112	9.8
542.36566	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	542.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01862	2.3
57.03445	3.0
61.02687	0.5
61.02930	6.4
66.75604	0.6
69.03072	0.6
69.03433	11.6
69.71906	3.1
71.04989	2.1
73.02920	2.6
77.03935	0.6
81.03417	4.2
83.01355	0.9
85.02908	66.2
86.62550	0.6
87.04464	1.5
91.03968	3.4
91.05473	1.1
95.04976	1.0
97.02900	16.7
99.04456	2.9
101.02314	0.6
103.03904	1.1
105.07011	0.8
109.02883	6.3
111.04414	0.7
115.05422	2.7
115.80010	0.5
116.06258	1.0
121.10194	0.7
124.11233	1.0
127.03917	16.4
128.06244	2.6
129.06990	1.7
130.07898	0.5
131.04910	0.7
132.05655	0.8
137.05980	0.8
141.07018	1.0
142.07779	1.2
142.26317	0.5
144.05615	0.5
145.04967	30.4
147.04445	0.6
152.06180	0.5
152.76648	0.5
153.01840	1.7
153.06989	5.2
154.02164	0.6
154.07756	1.8
155.08574	8.8
160.63200	0.5
163.06018	11.4
165.07016	5.4
168.05707	7.2
169.06197	0.5
169.10139	0.5
170.07188	0.7
171.08054	6.0
181.06514	1.1
182.07307	2.1
183.08060	100.0
184.08443	1.3
185.09663	4.7
193.07607	0.8
195.08012	0.8
197.09630	10.5
201.09102	8.2
207.08049	1.8
209.09612	2.8
211.07541	0.5
213.09109	1.0
219.08055	0.8
221.09567	4.1
223.07603	0.8
223.11113	0.8
225.09116	4.6
228.43719	0.5
235.11136	1.3
237.09114	3.7
241.08638	1.4
249.09084	2.2
251.10707	0.9
261.09119	1.5
263.10770	3.5
267.10162	1.0
273.09009	0.9
279.10150	1.2
287.05457	0.9
291.10135	2.9
309.11279	6.3
313.07208	1.1
327.12335	3.4
387.53955	0.5
410.15915	2.1
426.11850	0.6
542.21472	1.0
542.26947	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	542.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	0.4
71.60568	0.3
85.02891	0.4
97.02891	0.3
122.63780	0.2
123.28901	0.2
127.03947	0.9
131.04939	0.5
136.06184	0.3
142.05023	0.2
144.08041	0.2
145.06467	0.2
182.99651	0.2
185.03004	0.2
190.08577	1.4
200.07124	0.4
201.00722	0.3
218.08138	100.0
219.08463	1.2
260.91666	0.2
293.86725	0.2
300.42615	0.2
311.06207	0.2
327.03561	0.2
380.13425	44.3
381.13699	0.6
542.18756	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20915	0.1
55.21868	0.1
57.46634	0.1
60.20803	0.1
70.17563	0.7
78.24015	0.1
85.02886	0.2
92.79677	0.1
131.04979	0.3
142.04955	0.2
145.06506	0.2
153.52307	0.1
160.70654	0.1
190.08615	1.4
200.07124	0.2
218.08124	100.0
219.08458	1.6
234.54594	0.1
282.12054	0.1
380.13400	40.7
381.13611	0.8
456.73749	0.2
468.72052	0.2
542.18695	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	542.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72921	0.1
65.03946	0.2
69.64846	0.9
85.02881	0.3
98.21464	0.3
124.11176	0.3
131.04933	0.2
142.04968	0.2
144.08083	0.1
145.06488	0.1
162.09163	0.1
190.08614	1.1
200.07089	0.2
218.08125	100.0
219.08478	1.3
318.04205	0.2
380.13406	39.0
381.13684	0.5
405.25092	0.2
439.74121	0.2
542.18658	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	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01574	1.1
51.02383	1.7
53.03947	9.7
55.01871	3.7
55.05250	1.4
55.05511	26.9
57.03432	1.7
57.07078	10.1
58.06615	1.1
60.20380	0.7
65.03941	6.9
67.05507	77.1
69.03420	1.9
69.07070	19.4
70.06593	6.3
71.04993	2.6
71.08639	5.2
71.37027	1.6
72.32930	0.8
73.02902	1.0
73.06563	1.7
76.92110	0.7
77.03934	1.7
78.63488	0.7
79.05494	100.0
81.03423	7.4
81.07057	68.2
81.07554	1.1
83.04981	12.3
83.08618	9.5
85.02908	0.8
85.06551	3.2
85.10197	1.7
88.07637	8.2
91.05482	67.1
91.17086	0.7
93.07046	87.0
95.04970	20.9
95.08609	47.2
97.06528	5.2
97.10160	5.1
102.09176	6.6
103.05475	1.6
105.04507	4.4
105.07034	48.0
106.07378	1.6
107.04950	6.9
107.08595	33.3
109.06521	5.7
109.10152	12.6
111.08117	2.2
115.05458	2.5
115.44631	0.8
117.07025	12.1
119.08584	28.9
121.06511	2.8
121.10149	19.4
123.08080	5.6
123.11711	1.9
125.09670	1.2
128.05351	0.7
128.06215	3.5
129.07013	13.8
131.08566	11.6
133.06506	0.9
133.10141	13.8
135.08018	1.0
135.11697	11.3
137.09669	1.5
141.07010	0.6
141.09109	1.1
142.07782	0.9
143.08569	9.3
145.10133	13.2
147.08047	2.1
147.11688	33.1
149.13248	4.7
151.11073	0.7
155.08568	1.9
156.09389	1.0
157.10164	2.9
159.11690	4.4
161.09610	3.1
161.13255	13.6
163.14792	1.0
169.10170	2.5
171.11691	27.1
171.13103	1.5
173.13266	3.8
175.14890	1.9
181.10136	1.0
183.11758	1.6
185.13300	1.7
187.14867	1.2
189.12761	10.7
195.11748	1.4
197.13177	1.2
199.14870	0.9
207.13803	27.0
211.15048	0.9
213.16432	1.3
225.14857	1.7
235.14571	0.7
235.16855	0.9
243.21120	1.2
246.04933	0.7
256.26306	13.1
257.26651	6.2
261.22116	4.1
281.17462	1.6
283.26263	4.9
284.26709	3.6
284.29126	3.9
285.29868	2.4
311.29437	10.9
312.29868	6.9
317.24786	1.7
431.33176	0.9
449.33981	3.4
467.35199	1.3
485.35992	0.9
513.50616	0.7
523.37640	0.9
540.53497	13.7
541.38989	77.5
541.53662	44.7
542.39026	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	2.0
53.03948	11.3
55.01878	3.4
55.05511	22.4
57.03435	3.3
57.07069	8.4
65.03944	5.4
67.05508	73.2
69.03421	1.7
69.07066	17.7
70.06599	4.2
71.04993	1.8
71.08636	3.3
71.62146	2.1
73.06554	1.0
77.03949	2.6
79.05498	100.0
81.03424	7.9
81.07059	66.3
83.04980	11.3
83.08633	7.9
85.06536	1.8
85.10220	1.7
88.07639	5.3
91.05483	63.8
93.07049	88.1
95.04968	22.3
95.05542	1.6
95.08609	38.8
97.02859	1.4
97.06540	4.0
97.10171	4.4
99.08109	1.5
102.09193	4.2
103.05468	1.8
105.04530	3.6
105.07034	46.8
107.04985	6.4
107.08597	30.5
109.06525	6.1
109.10156	12.7
111.08060	1.4
115.05470	2.5
117.07019	14.1
119.08583	26.0
121.06526	1.4
121.10161	20.9
123.08102	5.1
123.11733	2.2
125.09680	2.1
127.07625	1.3
128.06261	2.8
129.07008	13.7
130.07816	1.5
131.08568	11.7
133.08606	1.4
133.10129	16.5
135.11716	11.6
143.08569	8.5
145.10130	15.6
147.08072	1.7
147.11687	32.2
147.12758	2.2
149.13283	4.8
156.09337	1.4
157.10175	2.2
159.10243	1.1
159.11667	5.8
161.09605	4.1
161.13264	12.0
163.14801	2.8
169.10204	3.4
171.11693	23.8
171.13092	1.4
173.13315	4.8
175.14906	1.3
181.10150	1.4
183.11691	2.0
187.14899	2.1
189.12733	7.7
189.16385	1.2
197.13338	2.7
201.16473	1.3
207.13809	24.5
234.09256	1.2
243.21257	1.4
256.26379	10.8
257.26694	6.8
261.22299	4.2
281.17627	1.8
283.26440	1.6
284.26712	1.6
284.29495	1.9
311.29483	7.3
312.29965	4.6
317.24835	2.9
449.34293	3.3
523.36859	1.5
540.53589	8.8
541.38989	87.9
541.53479	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	541.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.5
55.01868	4.6
55.05516	25.1
57.03448	3.2
57.07075	2.1
67.05507	30.7
69.07077	13.6
71.04984	2.7
71.58989	1.4
79.05492	23.1
79.78940	1.4
81.03421	11.8
81.07059	26.3
83.04982	5.9
83.08626	13.5
91.05481	21.1
93.07059	20.9
95.04977	9.7
95.08611	14.7
96.77734	1.3
97.06535	4.5
97.10172	16.3
105.07028	23.2
107.04971	5.3
107.08595	13.7
109.06525	2.2
109.10168	8.1
111.08078	2.5
115.05470	2.0
117.07020	12.2
119.08585	13.9
121.06526	1.7
121.10166	6.8
123.08109	2.6
123.11683	2.2
124.35527	1.4
125.09631	12.3
128.06232	4.4
129.07013	13.9
131.04858	1.9
131.08578	15.2
133.06494	2.3
133.10144	14.9
135.08032	1.7
135.11711	2.8
141.06993	6.2
142.07803	2.3
143.08568	13.2
144.09293	1.5
145.06467	2.1
145.10127	13.4
147.11717	5.4
149.09622	3.1
153.07048	3.0
153.09094	1.6
154.07854	1.5
155.08612	8.3
156.09125	1.9
157.06517	3.5
157.10156	13.9
159.08130	3.1
159.11691	9.7
161.13243	2.5
163.11243	3.1
165.07036	2.1
166.07867	1.4
167.08543	4.5
169.10149	10.5
171.08101	3.2
171.11671	11.1
173.09653	4.9
173.11903	1.7
173.13324	4.3
179.14302	2.9
180.09451	1.8
181.10149	4.0
183.08109	1.7
183.11652	8.5
185.09676	2.3
185.13252	7.7
189.11253	6.1
193.10173	2.8
193.12427	1.8
195.11713	5.4
197.09581	2.3
197.13281	5.7
199.11296	2.3
199.14835	3.4
207.11751	3.3
209.13300	4.7
211.11172	2.2
213.12682	2.9
219.11896	1.9
221.13264	3.6
225.12807	1.6
227.12827	6.5
247.14954	1.7
257.18942	2.3
259.20602	2.5
275.20047	7.4
279.21100	1.5
281.18970	1.9
297.22198	8.7
304.09656	1.5
305.26236	1.4
315.23074	2.3
431.29504	7.5
449.30603	12.4
467.31781	5.0
485.32724	3.3
497.32227	1.8
513.35803	2.6
523.34363	10.7
541.35345	100.0
542.35602	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	541.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01879	11.8
55.05513	23.1
57.03454	4.1
62.28761	1.5
65.03928	4.0
67.05505	54.4
69.03430	3.7
69.07072	38.2
69.64918	8.8
71.05001	3.1
79.05493	51.0
81.03419	100.0
81.07056	63.3
83.04990	7.3
83.08629	20.4
85.06526	2.9
91.05480	73.9
93.07047	43.7
93.07610	2.5
95.01337	14.5
95.04968	35.8
95.05530	2.4
95.08609	40.5
97.02924	3.0
97.06535	20.1
97.10185	6.9
103.05486	4.1
105.04568	2.3
105.07034	86.5
107.04963	32.4
107.08590	22.0
109.06533	5.5
109.10149	10.5
111.04470	3.2
111.08060	8.9
115.05466	3.6
117.07008	19.0
117.07724	1.9
119.04986	2.1
119.08588	47.5
121.06528	6.6
121.10110	13.3
123.04439	2.1
123.08090	6.0
123.11749	3.8
125.09676	2.6
128.06258	2.1
129.07016	13.1
130.07852	2.3
131.08575	31.0
133.06529	5.1
133.10129	47.8
135.08090	7.2
135.11696	8.0
137.09705	4.9
139.07590	2.2
141.07016	4.0
142.07858	2.1
143.08600	5.3
145.06537	4.6
145.10110	17.7
147.08110	4.2
147.11722	22.8
149.09641	11.4
149.13310	5.2
151.11174	3.4
155.08562	3.9
157.06418	1.6
157.10114	12.0
159.08084	1.8
159.11687	17.8
161.13268	8.5
163.11107	7.6
165.09219	4.2
169.10168	4.0
171.11743	5.5
173.09663	1.9
173.13354	5.6
175.11273	6.6
175.14880	2.7
177.12828	5.8
179.14301	20.6
183.11702	2.7
185.13332	2.4
187.11298	6.5
187.14825	1.8
193.12245	17.7
197.13353	4.2
205.12357	1.9
226.62418	1.7
229.19556	2.1
239.18106	2.9
247.20737	2.9
249.14986	3.0
257.19067	7.8
267.15945	2.6
275.20062	95.3
293.21173	10.0
349.23846	4.3
431.29889	2.6
449.30634	3.1
523.34192	3.0
541.35498	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2408
Annotation	Pulcherrin C
Peak:m/z	Relative Intensity
56.02045	0.5
56.37857	0.4
61.02926	0.5
67.05486	1.2
69.03411	1.0
69.07067	0.8
71.05002	0.8
78.07958	0.4
79.05472	0.8
81.03415	0.8
81.07059	0.9
83.04946	0.6
85.02924	0.7
91.05473	1.0
93.07019	1.3
95.04940	0.8
95.08578	1.0
97.02901	0.6
105.07018	2.0
107.08566	1.2
109.10122	1.4
119.08579	1.1
121.10161	0.7
125.09574	0.7
127.03939	2.3
131.04926	0.6
131.08534	1.1
133.10152	1.2
135.07976	0.5
135.11725	0.9
137.09621	0.8
145.10059	0.7
145.37532	0.4
147.04404	1.0
147.11678	0.8
152.07066	0.5
153.01802	0.8
157.10199	0.5
163.07619	0.6
163.11136	1.0
167.06950	0.7
191.14282	0.8
221.36967	0.5
237.10045	0.5
238.10664	1.0
241.13139	0.5
249.10164	0.6
250.10692	0.8
251.11751	1.2
252.12097	1.6
253.09755	1.0
254.10156	1.0
265.09668	1.4
266.10086	1.5
278.10178	0.8
279.11166	1.7
280.08594	0.5
280.11557	2.4
281.12076	0.5
294.09741	0.9
294.12943	0.8
308.11307	0.6
313.11389	1.0
325.11661	1.1
326.12173	1.2
327.13370	1.7
328.13751	3.2
339.13290	4.4
340.13791	7.1
354.11771	0.7
367.12973	3.1
368.13266	9.0
369.13876	0.7
379.24585	3.0
386.14151	1.3
391.99731	0.5
399.15372	0.7
400.15823	1.7
509.21185	9.0
541.23920	100.0
542.24365	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	541.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.1
61.02900	0.9
62.04333	1.1
63.66027	1.0
67.05495	1.3
69.03426	3.7
70.46289	1.1
70.75104	2.2
70.75427	1.1
71.04987	1.4
79.01865	2.6
79.05489	1.6
81.03429	5.5
81.07052	2.1
85.02905	4.6
85.06549	3.1
91.05491	1.2
93.07053	2.1
95.08615	1.8
97.02879	2.9
97.06534	3.4
105.07017	1.8
107.01353	1.3
107.08594	4.4
109.02875	4.0
109.06532	3.3
109.10204	1.6
116.67531	1.0
116.71669	1.0
121.10132	1.2
123.08033	1.7
124.11263	1.2
125.02367	3.8
127.03917	8.8
131.08630	1.5
133.10155	2.9
137.06007	1.1
143.03444	4.0
145.05035	1.4
149.09633	2.1
149.13309	1.2
151.11218	2.3
153.01833	100.0
153.02850	5.0
154.02171	1.9
163.11098	1.3
163.14919	1.1
163.43259	1.0
171.02910	10.5
173.13257	2.3
178.04948	1.1
191.14333	3.4
206.04495	1.2
209.11722	2.1
209.15376	4.3
227.12808	1.9
227.16380	3.0
297.06104	3.2
315.07104	10.6
328.10382	1.0
541.23438	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41756	0.8
55.53638	0.8
66.65328	0.9
67.05512	1.2
67.78676	1.0
69.03416	3.2
71.04992	1.7
79.01867	2.6
81.03403	5.8
81.07063	2.7
85.02912	4.6
85.06523	2.3
91.05490	1.0
93.07048	1.7
94.90567	0.9
95.04977	1.1
95.08595	1.8
97.02891	4.1
97.06541	3.5
99.11275	1.0
105.07065	2.1
107.01312	2.4
107.08591	4.0
109.02871	4.9
109.06513	3.7
109.10161	1.6
119.08571	1.5
121.10162	2.6
123.08108	1.1
124.11252	1.3
125.02337	4.0
127.03931	7.5
131.08548	2.0
133.10110	1.8
137.06010	1.3
143.03392	5.0
149.06027	1.1
149.09642	1.8
149.13248	2.2
151.11147	1.4
153.01834	100.0
153.02853	3.5
153.66121	1.2
167.10547	1.1
171.02899	9.7
173.13251	2.7
191.10768	1.2
191.14304	4.9
209.11800	2.1
209.15326	2.9
227.12744	1.4
227.16467	3.4
234.99475	1.1
259.82901	0.9
297.06146	5.3
315.07043	10.9
332.87399	0.9
353.66211	0.9
391.17557	1.0
441.61081	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	0.6
53.03914	1.2
55.01844	0.6
55.05481	0.7
55.45670	0.5
57.03418	0.8
59.04941	0.4
67.05484	1.1
69.03432	3.0
69.07054	0.8
70.06535	0.8
71.04955	1.2
71.61779	0.8
79.01858	3.0
79.05471	1.1
81.03427	5.1
81.07014	1.9
85.02918	3.2
85.06506	0.6
91.05450	1.7
93.07046	3.8
95.08577	1.2
97.02886	3.6
98.97556	1.9
99.04421	1.6
100.11821	0.5
102.63403	0.5
105.07073	2.7
107.01282	1.2
107.08582	2.7
109.02870	4.4
109.06490	0.8
109.10126	1.9
111.08084	0.5
112.25161	0.5
112.72565	0.5
119.08564	0.8
121.10144	4.5
123.08091	0.6
123.11605	0.7
124.11198	1.3
125.02364	3.1
125.11529	0.5
127.03925	6.6
133.10138	1.5
135.08000	0.8
137.05984	1.4
137.09605	1.5
143.03400	4.8
143.08594	0.5
145.04962	1.1
147.04468	0.8
149.09627	100.0
150.09961	1.0
151.11203	1.8
153.01839	77.0
153.02861	3.8
163.11105	0.5
165.12711	0.7
171.02893	8.5
173.13301	0.8
183.13902	0.6
191.14304	7.4
209.15388	12.1
227.16525	1.6
277.11218	0.5
285.31769	0.5
297.06018	4.3
307.12610	0.6
315.07175	6.6
315.10257	0.6
379.18640	4.1
409.15875	1.0
541.20087	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	540.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43696	1.0
67.00138	1.1
69.03418	2.0
69.58202	2.9
69.58616	5.4
70.06592	1.6
76.78796	1.1
79.05476	1.4
81.03401	1.7
81.07079	1.2
83.04938	1.2
85.02921	6.1
88.84534	1.1
91.05486	10.9
93.33944	1.0
95.04966	2.8
95.08609	1.6
97.02866	2.4
103.05466	1.3
105.07018	2.3
107.04926	1.4
109.02900	1.3
109.06502	2.3
111.04487	1.3
119.04958	8.9
121.06471	3.9
122.03667	2.7
123.08087	1.5
124.01973	1.2
124.11210	3.7
127.03906	1.9
129.06993	6.4
130.58458	1.1
131.04895	3.5
131.08607	1.8
135.08047	2.8
136.05186	1.4
137.05989	40.7
141.06995	1.5
145.05055	1.3
145.06439	1.5
147.04381	1.3
149.06021	8.1
151.07545	56.5
153.01831	9.1
154.02177	3.2
157.06465	8.0
158.07272	2.4
159.08076	1.9
161.05995	5.9
163.07547	12.3
165.09119	4.2
167.08531	6.8
174.06767	8.3
175.07550	5.7
177.09129	2.5
178.07791	1.5
189.09111	27.0
193.06480	2.1
193.10114	2.3
194.07208	1.3
195.08060	12.7
201.09242	1.3
207.10168	3.4
208.14264	1.1
209.08078	2.1
210.06741	1.4
212.08284	1.4
219.10182	26.0
221.05977	4.8
221.09602	4.7
221.36510	1.3
223.07549	5.3
223.09486	1.0
224.08334	1.5
225.05576	1.3
225.09109	4.2
227.10648	15.2
240.07678	1.9
249.09094	2.5
253.08601	9.3
253.12216	6.3
255.10179	16.4
267.10086	2.1
270.08798	1.2
281.11865	2.8
285.11151	9.8
287.12775	32.5
287.15787	2.3
299.12704	1.3
313.14349	33.3
331.15414	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.0
55.05503	3.6
57.07068	2.0
65.15070	1.2
65.48372	1.2
67.05501	5.3
69.03428	5.2
69.07079	2.5
69.37291	3.2
69.37704	8.3
71.04991	2.9
75.04475	1.7
79.01848	2.7
79.05490	4.0
81.03424	8.3
81.07058	10.8
83.04973	1.4
85.02900	3.7
85.06543	5.3
85.87234	1.3
89.81864	1.3
91.05478	7.0
93.03403	2.6
93.07052	12.2
95.04973	3.4
95.08629	8.5
97.02901	4.0
97.06507	3.7
99.04465	2.6
99.08072	2.2
103.05478	2.1
105.07047	7.5
106.04155	5.8
107.01331	2.7
107.07943	1.9
107.08601	22.3
109.02874	6.0
109.06517	5.8
109.10167	11.5
119.08582	5.8
121.06489	7.7
121.10146	9.1
122.06849	2.1
123.08055	4.1
123.21826	1.5
125.02334	3.9
125.06020	2.5
125.09618	1.4
127.03925	6.1
131.08574	9.2
133.10139	19.8
135.08054	3.2
135.11703	2.4
136.30862	1.3
137.05986	4.3
137.09621	5.6
139.07486	1.8
139.11237	1.7
143.03412	3.2
145.04956	1.6
145.10133	2.7
147.11728	4.3
149.05975	8.9
149.09602	4.1
149.13272	14.2
150.06323	3.9
151.03923	2.2
151.11186	9.5
153.01837	100.0
153.02890	3.6
153.09108	4.8
154.09509	1.7
161.13260	2.4
161.51573	1.4
163.14836	8.6
171.02904	9.1
173.13261	17.2
177.05461	5.4
178.05838	1.6
179.07071	2.3
181.08649	2.3
182.08945	2.5
191.14322	43.5
191.16042	2.6
209.08096	16.4
209.15375	24.4
210.08466	9.3
214.19608	1.5
220.10464	1.7
227.16406	9.1
247.70097	1.3
297.06052	5.8
315.07016	7.1
341.44995	1.3
541.26556	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
60.53211	0.5
69.07059	0.7
69.30257	4.1
74.49849	0.5
79.77589	0.5
83.14291	0.4
94.06517	0.5
105.06966	0.5
120.04452	0.7
122.05998	0.8
150.05545	0.6
152.06995	1.6
154.08620	0.6
156.10167	0.7
162.05544	0.6
166.08632	1.2
172.03917	1.5
176.10669	0.7
194.08141	1.4
209.10738	1.2
222.11594	0.7
223.12267	1.1
224.09448	0.9
225.10233	3.0
226.10573	0.6
234.11560	0.7
235.08624	2.8
236.09479	2.0
237.10242	8.2
238.10925	2.0
239.11705	1.2
248.09450	0.6
249.10262	8.8
250.11055	4.6
251.08128	1.2
251.11803	12.0
252.08806	0.7
252.12564	1.9
253.09737	15.5
253.12784	0.8
253.13321	0.7
261.10144	0.7
262.10834	0.6
263.08127	0.8
263.11816	1.6
264.09030	0.8
265.09729	17.5
266.10358	1.7
267.11288	5.6
268.11545	0.6
277.09653	3.0
278.07181	1.0
278.10443	8.1
279.07709	2.9
279.11270	16.0
280.12039	3.9
281.12805	1.8
282.10098	0.9
283.10751	1.2
291.07672	0.6
291.11166	0.7
293.09189	6.6
293.12823	4.9
294.10016	3.5
295.10730	5.0
295.14383	3.2
296.11575	1.3
297.12286	4.0
299.13693	0.7
306.09875	1.1
307.10788	2.4
308.11490	1.6
309.08887	0.7
309.12155	4.6
311.10260	2.2
311.13943	2.5
312.11023	12.0
313.11984	0.8
321.12213	0.9
323.10074	0.6
323.13788	1.5
324.11087	2.8
324.14633	0.6
325.11850	9.9
326.12598	1.3
327.13400	56.0
328.13791	1.0
334.09619	0.7
335.10233	4.4
336.10910	1.0
337.11887	3.9
339.13397	80.3
340.14032	3.9
352.10516	0.8
353.11316	8.8
354.12143	1.0
367.12897	74.8
368.13638	7.2
369.14603	1.6
378.23291	1.1
385.13885	5.0
399.15536	11.0
467.20374	0.7
476.18082	2.5
480.21164	2.8
508.20801	100.0
509.21051	2.8
529.33459	0.5
540.23010	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	540.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79182	0.8
51.72911	0.7
52.41194	0.9
53.03937	3.2
55.01860	2.1
57.66018	0.9
65.03928	2.3
67.05502	1.0
69.03411	0.9
69.23406	5.3
69.23832	3.3
69.73914	0.8
71.04967	1.1
75.04475	3.2
78.04709	1.4
79.05485	2.0
81.62832	0.7
85.02900	3.0
89.03875	1.2
89.06023	1.2
91.05482	11.6
93.02885	1.0
93.03415	11.4
93.07049	5.9
95.04961	3.5
97.06508	2.4
102.88029	0.8
103.05483	4.7
105.07032	1.9
106.04179	28.2
107.04936	2.0
109.06549	1.6
110.65265	0.7
118.55372	0.9
121.06514	28.6
122.07262	1.3
123.04470	1.4
123.08065	1.9
124.05189	0.9
124.11279	1.6
125.05991	7.4
131.04919	1.6
133.06459	1.2
134.03624	3.6
137.05949	2.5
137.34709	0.8
138.06863	0.8
139.07542	2.0
145.82558	0.8
148.05205	1.4
149.05986	41.4
151.07545	2.6
152.08313	0.8
153.01820	1.4
153.05424	1.3
153.09109	12.3
158.21083	0.8
163.07568	2.0
165.05420	1.2
166.06221	1.3
167.07054	1.9
177.05476	20.6
180.07686	1.0
181.08585	19.6
191.07033	3.0
197.90404	0.8
209.08096	100.0
219.10309	0.9
223.04205	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	539.2125
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
59.14850	2.4
67.05534	3.1
69.03415	6.4
69.69849	6.7
69.70259	8.7
81.03421	5.8
85.02905	4.1
91.77977	2.9
94.71140	3.0
95.08595	11.1
97.02886	5.0
104.89536	2.5
107.01360	3.6
109.02879	7.1
114.98898	2.3
119.08606	2.8
121.10133	3.1
123.08037	4.8
127.03948	8.2
143.03400	6.0
149.09616	15.8
153.01845	100.0
153.02916	3.5
171.02901	12.1
180.10056	2.8
189.12796	5.9
207.13823	22.9
263.31961	2.8
297.06100	7.3
315.07184	10.4
351.67755	2.8
383.49002	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	538.3589
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82866	1.0
55.05502	4.1
56.05036	9.1
57.03445	1.1
57.07079	2.0
58.02949	4.0
58.06611	1.7
60.04529	37.0
67.05494	1.4
69.03429	11.6
69.07066	7.9
70.78242	1.1
70.78592	3.0
71.08603	1.5
73.38644	0.9
74.06077	1.5
76.45663	1.1
81.07046	2.5
83.08607	4.8
83.09059	0.9
85.02888	2.5
86.06071	16.0
92.68990	1.0
93.07025	2.7
97.10157	4.4
103.09885	1.1
103.89763	1.1
104.07109	84.0
105.07013	1.5
107.08582	1.1
122.08147	25.1
272.25723	1.4
340.28491	4.5
358.29535	100.0
359.29749	1.3
376.30600	69.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2123
Annotation	Mallophenol B
Peak:m/z	Relative Intensity
50.75962	0.4
51.02378	0.9
53.03936	1.3
55.01863	0.6
57.03443	0.6
64.21213	0.4
67.05499	1.1
69.03434	3.8
69.07069	0.9
70.06593	1.0
71.04991	0.9
72.41492	0.4
78.23233	0.4
79.01859	3.3
79.05496	0.9
81.03422	7.1
81.07067	1.8
83.04984	0.9
83.08599	0.5
85.02914	4.0
85.06532	0.6
86.09714	0.4
88.33575	0.4
91.05462	2.1
93.07046	1.4
95.04968	1.0
95.08612	1.2
97.02885	4.4
97.06531	0.7
99.04477	1.5
99.08106	0.4
105.07026	2.6
107.01305	1.4
107.04959	1.3
107.08597	1.3
109.02885	5.7
109.06528	1.9
109.10173	1.1
111.04419	0.9
117.06991	0.5
119.04964	0.8
119.08588	1.3
121.06519	0.5
121.10174	0.6
123.08086	4.1
123.11703	0.8
124.11250	1.2
125.02374	3.3
125.09667	0.9
127.03922	7.6
131.04951	0.4
133.10144	1.7
135.08015	0.9
137.05988	2.9
137.09618	0.7
143.03404	5.6
145.04977	1.2
145.06558	0.4
147.04433	1.3
147.08017	0.6
147.11662	0.6
148.05064	0.4
149.05879	0.6
149.09639	0.7
151.03920	1.1
151.07584	2.2
151.11073	0.6
153.01840	100.0
153.02837	4.5
154.02237	0.7
161.06035	2.0
161.09651	2.1
163.07539	0.8
163.11183	0.5
165.05510	0.4
165.09189	0.5
166.08751	0.6
167.07030	2.0
171.02882	9.5
173.13211	0.6
175.07556	1.0
189.09109	1.6
189.12848	0.7
195.10234	0.5
204.06569	0.5
207.10175	0.7
207.13824	2.2
225.14870	1.4
225.19083	0.5
230.15768	0.5
236.36749	0.4
297.06055	7.6
311.13074	0.5
315.07111	6.4
355.15710	0.6
490.91425	0.5
539.13434	1.0
539.25690	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.3
55.01854	0.3
56.96565	0.7
57.03424	0.7
57.53698	0.3
65.81528	0.3
69.03429	3.0
70.06600	0.3
70.60263	0.9
79.05510	0.4
81.03415	1.3
85.02911	1.8
87.04459	1.2
91.05484	6.8
97.02890	1.6
98.09692	6.1
98.21413	0.3
98.97606	1.4
101.85091	0.3
107.04955	6.5
110.97561	0.5
115.03938	1.3
116.98598	0.4
117.07031	0.6
119.04933	0.6
119.08583	9.6
121.55033	0.3
124.11226	0.7
128.06271	0.5
128.98607	0.5
129.06993	0.9
132.05722	2.6
133.04984	0.7
145.06473	1.1
147.08046	100.0
148.08449	0.6
153.01927	0.5
170.98262	0.3
177.87169	0.3
231.02940	0.6
237.02863	0.6
244.16960	6.2
244.19266	0.5
257.00549	0.3
259.02414	0.9
266.08496	0.8
277.03336	3.2
293.09116	1.1
303.01208	1.4
319.00909	0.4
376.12604	0.4
379.00311	0.3
394.99374	0.4
401.27344	0.4
434.05313	0.3
515.03387	0.4
538.26489	63.3
539.26776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
56.96558	0.8
59.82473	0.7
65.03940	1.7
67.05502	1.7
69.03419	1.3
71.04986	0.9
79.05478	3.8
80.05018	1.8
81.03412	1.7
81.05781	1.4
81.07037	1.8
82.06564	1.7
85.02895	2.0
89.03905	1.0
91.05469	4.1
92.05007	1.1
93.07037	7.7
94.06561	11.3
95.04955	1.0
95.07354	6.9
95.08601	1.5
95.45937	0.6
96.08130	20.0
97.02890	1.8
97.06522	2.3
97.75075	0.6
99.04459	0.8
99.49910	0.7
103.05450	2.0
105.03368	1.3
105.07024	0.8
106.06538	0.9
107.04954	2.6
107.07346	1.1
107.08584	1.3
108.04449	0.8
108.08117	16.5
109.02900	1.1
109.08916	1.0
110.09682	33.5
116.04945	4.6
118.06521	1.9
119.04935	1.6
119.08610	1.1
120.04467	6.0
120.08106	23.4
121.02847	1.4
121.06524	1.7
122.06033	5.0
122.09607	0.9
123.06815	1.1
124.07590	9.0
124.11201	1.1
125.02318	0.8
127.03909	2.7
131.04985	0.6
132.08102	0.7
134.06024	2.0
135.08224	0.6
135.11723	1.0
136.07587	9.8
138.05516	6.2
138.09137	49.7
144.04449	9.8
145.04941	0.7
146.06006	5.8
147.04355	2.9
148.03886	1.6
148.07573	9.0
149.09511	0.7
150.05513	2.5
150.09183	0.8
152.07033	2.1
153.01833	20.9
153.02888	0.7
154.08598	0.9
160.03951	2.6
162.05544	4.7
163.03859	0.6
164.07051	1.8
166.04997	5.5
166.08636	100.0
167.07121	0.7
167.08914	1.1
171.02936	2.9
172.03931	41.4
174.05482	2.1
178.05032	1.8
180.06516	0.9
181.08777	0.8
182.09760	0.8
184.09967	1.1
188.07086	0.7
190.04974	17.1
192.06525	0.8
194.08174	0.7
195.09163	1.5
196.09807	1.3
197.10760	2.1
198.07959	0.7
198.11520	1.2
199.12355	1.2
204.06560	25.7
206.08125	0.8
209.10692	3.4
210.09093	0.8
210.11444	0.7
211.08612	0.7
211.12320	1.2
212.07649	0.7
212.09422	4.4
213.10188	2.0
216.06595	1.4
218.04388	0.7
220.09958	1.0
221.10744	1.2
222.07881	2.0
222.11555	2.2
223.08679	2.7
223.12236	0.8
224.09435	5.4
225.10220	5.8
226.10997	1.1
227.11783	2.8
229.13234	0.8
230.11803	1.4
235.08754	2.0
236.09227	3.2
237.10201	14.9
238.10979	3.7
239.08220	3.1
239.11816	5.2
241.09689	3.9
245.12823	1.3
247.14459	0.7
248.09526	1.1
249.10326	2.2
250.07326	1.7
250.10956	1.6
251.08191	3.1
251.11810	10.0
252.08916	2.0
252.12463	1.8
253.09695	7.3
253.13551	1.1
255.11272	3.8
261.10248	0.8
263.11755	1.9
264.09048	1.4
265.09717	22.7
266.10501	4.2
267.11349	3.9
268.08487	1.9
269.12848	1.1
271.10724	4.2
273.12326	7.3
277.09503	0.7
278.06577	8.0
279.11230	10.9
280.08438	2.6
280.11841	1.0
281.09177	2.4
281.12851	3.6
282.10004	0.8
283.10773	7.5
285.12314	2.2
287.10577	0.8
289.09662	1.4
290.12097	0.8
291.11276	0.8
292.08212	1.5
293.09198	24.8
294.09982	5.0
295.10873	1.6
296.11469	0.9
297.05923	2.0
297.12317	7.0
299.10321	3.2
299.13657	1.0
300.11188	1.7
307.10776	5.4
309.12225	4.2
311.10309	3.7
312.11026	4.1
313.11841	7.1
315.07144	3.7
323.10358	0.7
325.11823	20.5
327.13403	1.2
329.60776	0.7
335.10220	8.1
339.13409	0.7
340.10526	3.6
341.11307	32.0
342.11774	1.0
343.12970	1.5
353.11319	27.9
354.11746	0.8
357.14432	3.3
373.14005	4.2
385.13937	6.7
390.18146	1.4
418.17490	0.7
434.20923	1.0
437.19165	1.1
442.17468	1.2
460.18567	6.1
462.20132	1.0
465.18927	11.9
470.17313	0.8
478.19611	9.6
488.18185	14.9
492.21155	1.0
506.19238	55.6
507.19577	2.0
510.22507	0.8
520.20648	2.5
538.20245	1.0
538.28162	3.4
539.28265	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3036
Annotation	Lys Phe Asp Lys
Peak:m/z	Relative Intensity
58.56456	0.3
63.38154	0.2
67.05486	0.4
68.85794	0.2
71.62514	0.5
77.37607	0.3
80.62007	0.3
81.07044	0.3
118.29520	0.2
153.01915	0.3
185.04216	0.6
301.20230	0.9
341.54620	0.3
375.25436	0.3
415.72919	0.3
537.30371	100.0
538.30701	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	538.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.6
56.90249	1.1
65.03946	2.4
67.05499	1.8
67.26328	1.1
69.03413	1.7
69.07053	1.5
70.06593	1.1
71.61580	1.2
76.54674	1.1
79.05490	3.8
80.05002	1.3
81.03403	1.9
81.07050	2.1
82.06586	2.4
85.02894	1.6
89.03922	1.7
91.05446	5.5
93.07037	9.1
94.06567	11.5
95.04970	2.2
95.07335	7.9
95.08614	3.0
96.07552	1.3
96.08131	21.1
97.06535	2.6
98.97565	1.5
103.05505	2.5
105.07057	2.7
106.06543	1.2
107.08604	1.2
108.08109	16.2
109.02817	1.0
110.09676	36.0
116.04972	4.9
118.06537	2.0
119.04928	1.1
119.08606	1.2
120.04478	4.7
120.08109	22.1
122.06001	3.8
122.73801	1.0
124.07576	6.2
124.11195	3.8
127.03925	2.1
131.04890	1.4
133.10043	1.7
134.06001	2.7
136.07570	10.6
138.05463	6.1
138.09132	49.4
144.04486	7.0
145.04961	1.1
146.05992	6.4
146.97490	1.3
147.04376	5.9
147.11580	1.1
148.03854	2.2
148.07591	7.2
150.05505	2.5
152.07076	2.7
153.01793	2.4
160.03934	1.8
161.09734	1.3
162.05490	4.6
164.07024	2.6
166.04997	6.7
166.08629	100.0
167.07047	1.3
172.03928	39.4
174.05453	1.5
183.09024	1.4
185.36424	1.1
190.04987	17.7
194.08284	1.5
196.09975	2.3
197.10760	1.4
204.06526	16.5
209.10834	2.4
211.12213	1.9
212.09393	3.5
222.07892	2.3
222.11473	1.8
223.08635	1.6
223.12462	1.5
224.09375	5.4
225.10170	5.4
227.11725	2.8
235.08441	1.3
236.09378	3.3
237.10225	15.0
238.11066	3.0
239.08145	3.1
239.11790	4.4
241.09763	3.2
245.12883	1.5
246.07623	21.7
247.14478	1.2
249.10170	2.0
250.07347	1.8
250.11069	2.0
251.08031	2.5
251.11824	8.9
252.08852	1.8
252.12616	3.0
253.09779	7.0
255.11287	2.8
261.10107	1.1
263.11758	2.0
265.09659	19.9
266.10400	4.6
267.11258	4.4
271.10757	3.1
273.12265	6.5
278.06552	9.3
279.11224	13.7
280.08356	2.6
280.11655	1.1
281.09433	2.0
281.12784	3.6
283.10840	7.2
285.12320	2.7
289.06113	1.6
292.08249	1.9
293.09183	23.9
294.10004	4.2
295.10779	1.7
297.09253	1.6
297.12292	7.3
299.10367	3.9
300.11353	1.9
307.10672	5.1
309.12369	3.9
311.10248	4.4
312.11057	5.3
313.11862	7.3
325.11801	21.5
335.10168	8.5
340.10629	3.5
341.11295	30.2
343.13010	1.6
353.11316	26.9
353.15613	1.3
357.14453	3.2
373.13907	4.6
385.13922	4.9
460.18832	5.9
465.18958	11.3
478.19769	9.4
488.18152	15.1
506.19238	54.7
507.19287	2.3
538.18988	6.5
539.20428	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.24
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	1.0
71.61987	1.0
74.17321	0.8
91.05471	1.3
93.07041	0.8
98.16471	0.9
98.91671	0.9
106.06504	1.0
107.07321	2.7
108.08130	1.7
119.08571	1.1
120.04454	4.9
120.08139	1.2
121.08893	0.9
122.09664	7.2
124.99978	1.0
132.08040	1.2
135.06790	1.3
136.11237	1.5
146.06012	1.5
150.09152	23.4
152.07092	1.5
153.01863	2.5
166.08623	1.2
166.12164	0.9
171.23141	1.0
174.78918	1.1
182.63551	0.8
184.07309	2.1
194.08046	1.2
197.10698	1.3
209.10660	1.1
221.10860	0.9
223.08687	1.5
224.09331	2.0
225.10181	3.4
235.08855	1.3
236.09389	1.0
237.10249	8.3
238.11064	2.3
239.08099	1.1
239.11769	3.1
248.09290	1.0
249.10260	7.7
250.10989	2.4
251.08141	3.8
251.11839	6.5
252.12535	1.3
253.09697	5.6
255.69362	0.8
261.10214	2.6
262.11047	1.8
263.07953	1.1
263.11749	2.2
265.09720	10.1
266.10474	1.8
267.11331	4.7
271.10806	2.3
271.14417	2.1
277.09692	3.7
278.10486	4.3
279.07654	3.9
279.11267	9.5
280.12064	1.9
281.09274	2.3
283.03198	0.9
283.10837	7.0
289.09698	6.0
291.11243	3.4
293.09406	1.5
293.12833	5.8
294.10114	4.6
294.13113	1.0
295.10764	3.3
296.11664	2.2
297.08832	1.3
297.12283	1.4
299.06113	2.6
299.10394	1.2
307.10800	2.4
308.11353	1.5
309.09036	1.1
309.12228	4.1
311.10284	5.2
311.13678	1.7
312.11060	3.2
313.11526	1.5
314.12738	2.0
323.10278	1.1
323.13834	1.9
324.11020	2.8
326.12659	5.9
327.13452	8.0
335.10214	8.0
337.11636	1.6
339.13397	61.2
340.10419	2.1
352.10864	1.2
354.12094	2.8
355.12866	13.5
367.12878	47.1
368.13177	1.0
370.15567	0.9
444.18869	1.6
463.21063	1.2
472.18689	13.1
476.21722	7.5
504.21317	100.0
505.21414	3.1
522.22760	1.3
536.24438	4.8
536.32281	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2746
Annotation	Blumenol C 9-O-(4'-O-glucosyl-beta-glucoside)
Peak:m/z	Relative Intensity
52.94468	2.1
55.01871	3.4
55.05506	7.8
57.03440	4.7
57.07067	4.1
63.61255	2.3
67.05508	19.5
69.03430	24.4
69.07058	14.0
70.06600	4.7
71.04954	3.2
71.34835	3.2
73.02900	2.8
79.05483	7.1
81.03407	9.8
81.07053	19.6
83.04969	10.9
83.08626	6.5
85.02905	22.1
85.06528	6.6
89.03910	5.3
91.05460	9.0
93.07067	12.2
95.05003	4.6
95.08610	34.9
97.02888	6.5
97.06512	2.9
98.97556	4.2
99.04488	2.6
99.08087	4.3
103.05472	3.7
105.07031	11.4
107.04958	5.1
107.08573	23.1
109.02871	5.2
109.06523	10.4
109.10164	100.0
111.08067	6.1
117.03390	21.9
119.04934	7.7
119.08588	48.7
121.06497	4.2
121.10133	12.4
123.08049	18.4
123.11707	6.8
124.11229	9.9
127.03944	16.7
131.04907	3.1
131.08571	3.3
133.10132	22.5
135.08102	3.7
135.11699	97.2
137.05963	11.5
137.09604	19.3
143.08464	2.7
145.02841	45.0
145.04955	4.6
145.10150	3.0
147.04472	12.3
149.05949	11.1
149.09726	2.5
149.13303	5.4
151.07501	3.0
151.11180	7.9
151.14807	11.8
153.01836	31.7
153.12761	2.7
154.02147	4.0
161.05954	3.3
161.09758	2.6
163.07581	7.3
165.12686	3.5
165.16296	3.6
167.07022	4.6
171.02991	5.1
175.14836	48.4
177.05475	81.5
179.07132	4.4
181.04871	4.1
193.15894	74.1
195.10132	9.5
197.38739	2.9
201.05411	3.9
211.16936	96.3
221.15369	9.2
297.06116	2.8
321.09506	3.8
499.30478	3.4
517.18445	3.2
535.22388	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	536.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.9
55.01870	3.2
55.05505	1.8
55.67037	1.1
56.96569	1.5
57.03420	5.0
61.02921	5.2
65.03935	1.7
67.05503	2.9
69.03431	16.1
69.07095	1.9
71.04968	3.1
71.09801	2.1
73.02898	1.9
76.37115	1.2
79.05489	5.4
81.03411	7.9
81.07052	5.4
85.02414	2.2
85.02908	42.7
85.06496	1.6
87.04466	1.6
91.03942	1.8
91.05444	6.3
92.05804	1.5
93.07040	2.4
95.01328	1.6
95.04963	3.6
95.08601	1.9
97.02901	15.1
97.06558	2.1
98.97569	4.6
99.04452	4.1
103.05470	4.9
105.07041	7.4
107.04943	2.1
107.08592	3.8
108.08936	1.6
109.02874	5.1
109.06519	1.9
109.10169	1.7
115.05460	52.7
116.98618	1.3
117.07035	6.2
119.04947	5.4
119.08573	2.6
120.05285	1.9
120.08090	3.4
121.06427	1.7
121.10152	1.9
123.04436	33.8
123.08047	2.2
124.11231	11.6
125.09621	4.2
127.03913	12.4
127.07506	1.3
131.04933	8.3
131.08438	1.7
133.06477	3.4
133.10124	1.7
135.04420	100.0
135.11613	1.9
137.02312	13.9
137.05966	2.4
139.03871	1.6
143.04922	43.9
143.08435	1.3
145.04982	7.4
145.06491	7.4
147.04420	28.0
147.07994	2.0
147.11803	1.3
148.04762	11.3
149.05965	3.3
153.01816	4.8
155.05978	1.7
158.80908	1.2
159.04437	16.1
161.05978	32.5
161.09587	1.8
161.13329	1.3
163.07549	1.4
164.07034	1.4
165.05515	1.7
167.05638	1.8
167.07048	2.3
173.05991	64.1
177.05460	2.7
179.08565	1.7
185.05954	11.4
187.03912	20.1
189.05525	2.8
191.14363	1.4
199.03873	16.0
201.05524	3.0
203.07091	4.6
205.04950	40.8
209.05962	3.2
217.02866	2.8
217.04958	55.6
219.01842	1.4
219.06387	1.9
219.08168	3.0
220.13339	1.6
223.17014	2.7
229.04832	3.0
233.05963	1.5
235.05930	22.1
237.02805	1.9
237.05469	2.3
247.05943	24.0
251.07060	1.4
254.05638	2.5
255.06473	10.0
263.07016	5.8
265.08627	2.3
275.06940	2.2
281.08212	3.0
287.11462	2.0
293.08112	1.5
295.09583	8.6
299.06104	3.7
309.07568	4.9
321.07559	7.0
327.08618	4.8
329.05869	1.2
339.08755	10.8
357.09760	8.6
377.86325	1.4
404.20468	1.7
489.87024	1.5
536.18134	1.9
536.25159	6.4
536.33197	2.9
555.55121	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.05499	1.2
59.74089	0.3
64.63026	0.3
67.05503	2.0
69.03419	1.3
69.07080	1.7
71.04989	0.4
71.34698	0.4
71.35052	0.4
79.05492	1.2
81.03425	2.4
81.07055	1.6
83.04974	0.8
83.08621	0.7
85.02898	1.1
85.06548	0.3
89.03919	6.0
91.05490	0.5
93.07039	1.1
95.04976	0.5
95.08611	3.2
97.02916	0.7
97.06523	0.4
98.97596	0.6
99.04458	0.4
105.07031	1.2
107.04956	2.2
107.08597	2.6
109.02876	0.7
109.06481	0.8
109.10158	8.7
110.97679	0.4
117.02599	0.6
117.03381	7.5
119.04942	0.4
119.08570	4.6
121.10137	1.3
123.08080	1.2
123.11695	0.8
125.30801	0.3
127.03919	1.1
132.58157	0.4
133.10153	2.2
135.04425	16.7
135.11690	8.6
137.09642	1.4
145.01721	0.7
145.02849	11.7
147.04370	1.1
149.13264	0.8
151.11159	0.9
151.14824	0.7
163.03906	100.0
164.04242	0.7
168.20218	0.3
175.14821	4.8
181.04979	3.0
191.14317	0.3
193.15868	5.9
211.16902	5.7
231.19678	0.3
246.44774	0.4
271.06073	0.7
272.06464	0.5
273.07321	0.3
307.08139	3.1
325.09177	4.6
329.16534	0.3
376.15778	0.4
403.20087	0.5
499.41837	0.4
535.24200	1.3
535.32050	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.2
55.01863	0.1
55.05490	0.2
56.96590	0.1
57.03429	0.2
59.05009	0.7
67.01850	0.5
67.05501	0.3
68.99784	0.3
69.03426	0.9
69.07024	0.1
70.60070	0.3
70.60443	0.3
71.77926	0.1
79.05479	0.3
81.03413	0.9
81.07030	0.4
83.04974	0.2
85.02909	1.2
87.04450	0.5
89.03941	0.2
91.05460	0.5
93.07022	0.3
95.04964	0.2
95.08581	0.3
97.02903	1.0
97.06512	0.2
98.20885	0.1
98.97600	0.2
99.04472	0.3
103.05446	0.1
105.03369	0.1
105.07018	0.5
107.04936	0.2
107.08566	0.3
109.02876	0.7
109.06502	0.2
117.03394	0.2
119.04948	0.3
119.08589	0.6
121.06508	0.2
121.10164	0.3
123.08090	0.2
127.03912	1.7
128.06207	0.2
129.01826	0.1
129.07008	0.1
133.10127	0.5
135.04424	2.0
137.02362	0.5
137.05978	0.6
145.04959	1.1
145.10069	0.2
147.04413	1.5
147.08017	0.3
151.03882	0.3
153.01826	5.5
157.06453	0.2
161.02315	0.5
161.05911	0.1
161.13260	0.5
163.11118	0.1
167.07025	0.2
171.02873	0.4
177.05429	0.3
179.03429	0.4
185.05919	0.2
187.07541	0.2
203.14256	0.3
213.05359	0.2
221.15363	0.2
231.06500	0.2
231.08553	0.6
241.04980	0.6
255.06409	0.3
259.06015	0.2
263.05569	0.2
269.04361	0.4
287.05499	100.0
288.05847	1.3
355.12292	0.1
444.90533	0.2
449.10663	0.6
535.14307	3.5
535.21857	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.01863	0.6
65.03917	0.9
67.05511	0.4
69.03423	4.5
69.07040	0.7
69.99843	2.5
70.03752	0.5
75.02274	0.5
77.96309	0.5
79.05479	0.7
81.03413	2.8
81.07042	0.6
85.02898	3.5
85.06527	1.3
87.04453	0.5
91.05480	8.6
93.07019	0.8
95.08598	0.7
97.02892	2.2
97.06492	0.6
98.20840	0.6
98.97610	0.7
105.07030	1.1
107.04967	0.6
107.08567	0.6
109.02856	1.7
109.06499	0.5
109.10149	1.0
119.04939	19.9
119.08559	0.8
121.06516	0.8
123.08036	0.7
124.11165	0.5
127.03892	2.1
131.04948	0.6
131.08543	0.8
133.10161	0.5
133.96571	0.4
135.04413	0.8
135.11696	0.9
137.05965	1.4
145.02815	1.0
147.04405	100.0
148.04787	0.8
149.05968	0.7
149.09616	0.8
153.01805	2.3
159.79488	0.4
163.03903	4.8
165.05452	3.7
167.07082	1.0
177.05547	0.6
181.04955	0.5
191.10638	0.5
202.94006	0.5
209.11667	1.0
227.12851	1.2
287.05481	23.6
291.08606	3.4
309.09705	5.3
313.07159	0.6
325.09183	0.6
475.22168	0.6
535.14209	1.6
535.22418	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16838	3.4
53.03939	3.7
55.01866	7.5
55.05299	3.6
55.05520	43.0
57.03424	11.2
57.07079	3.1
59.05000	3.8
62.86311	4.1
65.03938	6.0
67.05511	73.8
69.07074	17.2
71.05019	5.4
71.62226	4.0
79.05494	50.7
81.07060	73.8
83.04977	11.9
83.08624	20.0
85.06542	4.5
87.04452	6.5
91.05478	35.6
93.07045	63.7
94.32168	3.7
95.04982	8.1
95.08610	47.9
97.06503	5.8
97.10187	24.1
105.07035	38.2
107.04921	3.7
107.08589	48.0
109.06516	6.0
109.10160	28.4
111.08061	4.2
111.55237	3.4
117.07014	12.1
119.08595	31.2
121.10155	18.8
123.11703	9.6
125.09644	22.0
129.06992	5.1
131.08582	22.8
133.10127	24.5
135.08145	6.4
135.11693	35.1
137.13286	4.0
143.08589	7.2
145.10104	20.0
147.11717	21.8
149.13232	8.3
153.12715	8.1
157.10144	7.2
159.11705	11.3
161.13289	9.9
163.14877	5.2
169.10255	4.2
171.11713	7.3
173.13290	16.7
175.14893	6.8
181.12210	9.4
185.13280	5.0
187.14827	7.5
187.95929	3.8
189.11227	17.1
189.16348	3.6
192.35710	3.1
198.10458	3.4
227.12793	38.0
243.15775	4.1
255.15909	13.0
261.22131	9.5
273.22156	8.3
289.25455	5.5
291.23190	7.2
335.25784	13.9
347.25784	6.4
405.31543	9.3
423.32455	12.9
441.33640	15.0
459.34818	16.8
497.36124	7.8
515.37360	100.0
533.38489	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	16.0
57.03433	7.6
57.07075	9.3
59.45071	4.5
60.08148	5.7
67.05505	80.5
69.07072	30.5
69.37234	16.9
69.37666	21.5
71.08624	7.2
76.90681	5.0
79.05503	29.6
81.07059	100.0
83.08614	24.5
86.09704	22.9
88.32349	4.1
91.05489	26.3
93.07050	30.7
95.04930	6.4
95.08608	84.7
97.06503	10.3
97.10166	16.4
99.08044	5.4
104.10751	40.8
105.07035	16.0
107.08598	19.2
109.10163	45.4
111.08091	4.9
111.11677	6.8
119.08587	14.9
121.10133	24.1
121.41428	4.7
123.11710	27.5
123.41972	5.1
123.75935	4.4
125.00005	5.9
133.10112	19.9
134.03754	4.7
135.11678	10.1
137.13266	9.1
143.38509	5.0
147.11696	12.3
148.43086	4.0
149.13214	7.2
150.73752	4.8
151.14862	5.2
155.14351	5.9
161.13271	11.3
163.14809	12.6
165.12933	4.1
165.16405	10.9
169.81546	5.2
175.14828	14.6
179.17911	7.9
184.07333	25.4
184.93607	4.3
199.51817	4.5
216.45752	5.0
217.19388	4.7
245.22670	65.3
263.23730	75.8
265.03326	4.7
337.27426	55.9
453.28470	5.1
475.22061	6.2
529.33685	5.8
534.36896	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	533.3839
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
52.16838	3.4
53.03939	3.7
55.01866	7.5
55.05299	3.6
55.05520	43.0
57.03424	11.2
57.07079	3.1
59.05000	3.8
62.86311	4.1
65.03938	6.0
67.05511	73.8
69.07074	17.2
71.05019	5.4
71.62226	4.0
79.05494	50.7
81.07060	73.8
83.04977	11.9
83.08624	20.0
85.06542	4.5
87.04452	6.5
91.05478	35.6
93.07045	63.7
94.32168	3.7
95.04982	8.1
95.08610	47.9
97.06503	5.8
97.10187	24.1
105.07035	38.2
107.04921	3.7
107.08589	48.0
109.06516	6.0
109.10160	28.4
111.08061	4.2
111.55237	3.4
117.07014	12.1
119.08595	31.2
121.10155	18.8
123.11703	9.6
125.09644	22.0
129.06992	5.1
131.08582	22.8
133.10127	24.5
135.08145	6.4
135.11693	35.1
137.13286	4.0
143.08589	7.2
145.10104	20.0
147.11717	21.8
149.13232	8.3
153.12715	8.1
157.10144	7.2
159.11705	11.3
161.13289	9.9
163.14877	5.2
169.10255	4.2
171.11713	7.3
173.13290	16.7
175.14893	6.8
181.12210	9.4
185.13280	5.0
187.14827	7.5
187.95929	3.8
189.11227	17.1
189.16348	3.6
192.35710	3.1
198.10458	3.4
227.12793	38.0
243.15775	4.1
255.15909	13.0
261.22131	9.5
273.22156	8.3
289.25455	5.5
291.23190	7.2
335.25784	13.9
347.25784	6.4
405.31543	9.3
423.32455	12.9
441.33640	15.0
459.34818	16.8
497.36124	7.8
515.37360	100.0
533.38489	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.384
Annotation	Oogoniol 2
Peak:m/z	Relative Intensity
51.02380	2.3
53.03947	6.0
55.01865	9.9
55.05515	34.2
57.03439	15.2
57.07063	7.4
65.03922	6.7
67.05507	100.0
69.03439	2.5
69.07075	29.9
69.69176	17.6
71.04980	5.2
71.08626	4.3
79.05490	65.9
81.03419	8.9
81.07059	93.1
83.04996	13.2
83.08630	24.1
85.06544	7.2
91.05481	48.3
93.07050	71.9
95.04999	7.0
95.08614	63.3
97.06538	7.2
97.10169	19.9
99.08092	4.6
105.07030	39.9
107.08597	54.9
109.06573	4.9
109.10166	37.0
111.08053	7.0
111.11768	3.2
117.07040	16.1
119.08582	34.6
119.16016	2.8
121.06519	3.1
121.10166	30.1
123.11702	10.3
125.09622	11.5
129.07018	9.1
131.08566	26.3
133.10138	33.6
135.11702	49.3
137.09627	3.5
137.13298	4.0
143.08580	9.7
145.10126	26.6
147.11717	14.3
149.13277	11.9
151.11139	3.3
153.12753	6.6
157.10153	6.7
159.10551	2.2
159.11653	14.9
161.13214	13.1
163.11208	5.7
163.14854	4.0
169.10179	3.7
171.11710	10.6
173.13280	11.8
175.14841	6.1
177.16441	2.9
181.12263	12.1
183.11717	3.5
185.13280	6.0
187.14896	6.9
189.11238	11.7
193.12288	3.4
195.00427	4.2
197.13295	4.1
199.14854	5.7
201.16396	3.1
223.14874	3.3
227.12790	21.3
243.21201	3.2
253.14301	4.0
255.15886	28.3
259.20480	4.3
261.22189	16.2
273.22171	5.4
279.23242	3.3
287.23499	4.8
289.25217	5.6
291.23315	6.8
317.24893	4.0
335.25760	14.8
405.31519	5.6
423.32556	18.8
441.33566	17.2
459.34732	16.4
479.35181	4.3
489.35709	3.1
497.36395	9.8
515.37366	99.9
533.38367	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	533.2935
Annotation	Triamcinolone hexacetonide
Peak:m/z	Relative Intensity
56.02568	0.4
58.15142	0.4
62.00577	0.4
68.76099	0.4
70.84830	0.9
70.85199	0.8
73.05441	0.4
81.07054	0.7
81.24534	0.4
93.07076	0.4
107.08593	0.5
121.10120	0.4
123.99298	0.4
155.01793	0.5
166.20280	0.3
203.03857	0.4
209.01628	0.4
245.05127	1.3
283.81079	0.4
305.08514	0.5
318.98889	0.4
381.57703	0.4
382.81552	0.3
533.29315	100.0
534.29846	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
53.89016	1.0
55.01872	5.2
55.05491	1.7
57.03439	7.4
59.04994	1.8
61.02665	1.2
61.02929	10.4
67.05505	2.5
67.98676	1.1
69.03433	34.9
69.07071	8.6
69.80832	4.5
71.05004	6.6
73.02917	4.1
79.05470	2.9
81.03420	13.7
81.07043	3.7
83.01344	1.6
83.04974	1.7
83.08617	2.0
85.02908	98.8
86.63747	0.9
87.04450	4.7
89.03910	2.4
91.03947	5.6
91.05463	4.5
93.07047	4.6
94.45137	1.3
95.04972	6.8
95.08606	3.5
97.02900	37.4
97.06532	3.5
98.20821	1.9
99.04460	7.4
105.07062	5.3
105.09598	0.9
107.04949	1.7
107.08621	7.5
109.02882	10.8
109.06532	6.8
109.10191	1.6
111.04465	1.6
114.80207	1.0
115.03944	1.4
117.03345	2.4
119.04966	2.1
119.08569	4.9
121.06500	2.9
121.10139	3.9
122.07298	6.7
123.08076	18.4
127.03918	28.5
131.08571	2.0
133.10143	15.3
135.04401	4.5
135.08054	31.1
135.11687	3.6
137.09641	6.7
141.05580	1.1
142.66335	1.1
145.02986	5.7
145.03867	2.2
145.04965	42.4
145.06117	2.3
147.04430	8.9
147.11644	3.2
149.09637	1.9
149.13280	2.4
157.28864	1.0
161.09688	1.8
163.02519	2.3
163.03914	46.7
163.05942	6.7
163.14847	2.2
165.11380	1.2
165.12764	20.6
171.06541	2.8
173.13304	1.5
175.14809	4.0
176.11981	3.8
181.05011	1.2
189.07533	3.2
189.34586	1.2
191.14313	100.0
192.14525	1.1
193.15865	9.9
203.06644	1.0
207.13753	5.2
209.15370	13.0
271.05911	3.2
298.01001	1.0
307.08215	1.3
325.09229	2.0
353.19537	3.9
371.20761	7.8
375.20160	1.2
416.57648	1.2
441.10809	1.1
473.17886	3.5
497.24225	1.3
524.74847	1.1
533.26093	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
62.36657	0.3
67.05487	0.4
69.03424	0.8
69.07051	0.6
71.05000	0.3
71.27502	0.7
79.05484	0.3
81.03428	0.5
81.07056	0.5
85.02895	0.8
87.04483	0.3
91.05516	0.5
93.07053	0.5
95.04926	0.3
95.08602	0.4
97.02891	0.9
99.04449	0.5
105.07037	1.3
107.08591	0.4
109.02854	0.3
119.04964	0.5
119.08573	0.7
121.10175	0.4
127.03876	0.6
131.08496	0.4
133.06499	0.3
133.10126	1.2
147.04391	2.0
153.01875	0.4
161.09648	1.0
165.75684	0.3
187.19371	0.3
189.09042	0.3
275.07574	0.4
287.05469	6.3
313.16223	0.8
317.08340	0.9
335.09427	2.5
371.14963	0.6
401.21429	0.5
445.20465	23.9
446.20737	0.5
533.25708	100.0
534.26111	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	533.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71612	0.4
55.01856	0.5
55.05519	0.6
55.58259	0.4
56.96563	0.5
57.03439	0.6
63.60547	0.4
67.05499	1.5
69.03416	1.8
69.07050	1.1
71.04987	0.6
79.05494	0.8
80.71195	0.4
81.03416	1.5
81.07053	1.3
83.04940	0.6
85.02893	1.4
91.05479	1.5
93.07047	1.0
95.05010	0.5
95.08581	0.8
97.02888	1.2
98.21516	0.8
98.97569	0.5
99.04463	0.9
105.07034	4.5
107.08588	1.0
109.02902	0.8
109.10155	1.9
119.08610	1.6
121.06520	0.5
121.10146	1.0
122.05999	0.7
127.03915	1.5
129.06950	0.4
131.04884	2.0
131.08589	0.6
133.06468	0.5
133.10162	3.2
135.11685	1.0
137.06000	0.6
137.09657	1.4
143.08522	0.8
145.10097	0.7
147.04402	1.5
149.09671	0.6
153.01823	1.6
159.07982	0.5
161.09634	3.1
163.11189	1.2
165.09149	1.3
179.10742	0.7
189.09113	0.7
189.12761	0.6
193.15880	0.4
207.10165	0.4
207.13800	0.9
313.16241	2.2
317.08487	0.6
335.09250	3.9
344.12045	0.6
351.14291	0.7
401.21387	0.7
445.20477	24.0
446.20779	0.7
533.25714	100.0
533.35095	4.7
534.25983	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	533.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05501	0.4
57.03425	0.4
59.05001	0.4
67.05494	0.4
69.03425	1.2
69.07079	0.4
69.55363	0.3
71.04999	0.4
79.05482	0.5
81.03402	0.6
81.07042	0.7
85.02934	1.4
87.04484	0.5
90.09235	0.3
91.05472	0.8
93.07056	0.6
95.08615	0.4
97.02873	0.5
99.04442	0.3
103.05498	0.4
105.07048	1.8
107.08606	1.0
109.02885	0.5
109.10120	0.5
119.04951	0.7
119.08573	1.2
121.06488	0.4
121.10108	0.7
123.08086	0.5
125.05975	0.4
127.03897	0.9
131.04926	0.5
131.08569	0.6
133.06509	0.3
133.10150	1.1
135.11670	0.5
137.06052	0.3
137.09608	0.5
143.08495	0.4
144.38791	0.3
145.10097	0.4
147.04416	3.2
147.07950	0.3
147.11694	0.6
153.01817	0.4
161.09673	1.1
163.11264	0.6
165.05534	0.4
165.09074	0.3
165.65195	0.3
167.07097	0.7
171.11769	0.3
179.10718	0.3
207.13893	0.4
287.05573	1.7
313.16199	0.6
317.08688	0.8
318.21591	0.4
335.09464	1.9
401.21164	0.8
445.20474	22.3
446.21237	0.7
528.23871	0.4
533.25708	100.0
534.25787	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	533.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62748	1.1
51.80137	1.0
55.01878	0.8
59.04995	1.1
63.31363	1.0
67.05494	1.8
69.03421	2.2
69.70629	2.1
69.71040	4.2
71.04955	1.7
73.74016	0.8
81.03410	3.8
83.04961	0.9
85.02927	5.9
85.81306	0.9
91.05482	9.8
93.07030	1.2
95.08606	3.3
97.02874	2.0
98.21453	1.9
105.07012	3.2
109.02857	2.3
119.04951	21.3
121.10133	1.8
123.08083	2.3
127.03953	1.9
135.11682	0.9
145.04942	1.5
147.04413	100.0
149.09601	4.0
153.01852	2.0
163.03891	2.5
165.05435	4.4
189.12825	1.9
191.14316	3.9
207.13837	4.5
246.60591	0.9
266.42068	0.9
271.06012	9.8
291.08627	3.5
300.36002	1.4
309.09619	4.8
398.82022	1.0
533.24402	1.2
555.59070	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52370	0.4
53.53771	0.4
62.91755	0.5
65.03935	0.9
67.05507	1.1
69.03427	1.3
70.75220	0.5
70.75546	0.8
81.03428	3.9
81.07013	0.5
85.02911	2.8
85.06541	0.5
89.23149	0.5
91.05484	8.3
93.07032	1.0
95.08618	2.3
97.02901	0.8
103.34243	0.5
105.07023	0.9
107.08590	0.7
109.02879	1.2
109.06499	0.6
119.04086	1.0
119.04951	21.0
119.08628	0.8
121.10142	0.5
123.08070	1.9
127.03938	1.0
133.10159	0.5
135.08047	0.5
147.04417	100.0
148.04768	0.6
149.07484	0.5
149.09642	3.4
149.43791	0.4
150.87538	0.4
153.01894	0.6
155.24536	0.5
161.13309	0.9
165.05461	5.0
189.12730	1.2
191.14249	1.2
207.13803	5.2
208.72688	0.5
228.18797	0.5
255.06604	1.8
261.12723	0.7
291.08542	2.8
309.09695	4.6
529.20673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01828	0.5
56.96560	0.5
57.01976	0.6
57.17973	0.5
65.97198	0.6
67.05495	1.3
69.03423	1.1
69.93951	1.4
69.94344	1.3
70.06586	0.8
74.02448	0.7
81.03418	2.2
81.07048	1.5
85.02902	2.0
91.05483	1.7
95.08605	2.3
97.02913	0.8
99.04451	1.4
105.07024	4.2
109.02895	0.7
109.10146	1.6
110.06034	5.1
110.09670	1.3
111.04432	0.5
119.04932	1.9
119.08569	0.7
120.08153	0.9
121.06505	0.6
121.10167	0.5
123.08073	0.7
124.11233	1.4
124.79543	0.5
125.02301	0.6
127.03897	2.1
133.06474	0.9
133.10124	2.7
136.07506	0.7
137.05986	1.4
138.09131	1.4
146.06033	0.7
147.04417	8.9
149.09544	0.5
151.07516	0.8
151.66028	0.6
153.01831	8.9
153.02982	0.9
161.09621	2.3
163.11217	1.0
165.01660	0.9
165.05461	0.8
166.08611	2.2
167.07030	0.9
171.02904	0.9
183.17445	1.5
187.07298	0.7
189.09161	1.0
193.08643	0.8
203.10721	0.8
209.15309	1.5
225.08730	2.2
260.19562	0.6
279.11041	0.6
289.33881	0.7
327.06866	1.7
336.07181	0.7
351.14484	1.7
368.09845	0.9
389.08981	0.8
391.17230	0.7
439.49014	0.6
460.07675	0.7
533.19922	100.0
534.20355	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.3
56.96566	1.1
57.03452	1.1
61.02919	1.1
65.03951	1.0
66.82587	1.1
67.05479	1.8
69.03413	2.9
71.10305	2.3
79.05460	1.2
81.03426	3.4
81.07045	1.3
85.02924	7.9
91.05473	7.5
93.07055	1.2
95.04938	1.7
95.08588	2.9
97.02892	3.4
98.97640	1.2
105.07009	1.8
105.33991	1.0
107.08585	1.6
109.02869	2.3
119.04110	1.3
119.04948	19.4
119.08601	2.6
121.06508	1.2
121.10124	1.5
123.08075	2.6
127.03882	3.3
133.10121	1.4
135.08087	1.2
145.04977	1.9
147.04413	100.0
148.04756	1.7
149.09636	2.9
153.01822	2.6
163.03893	2.5
165.05490	4.4
167.07039	1.4
191.14255	6.3
207.13791	4.1
271.06070	9.9
291.08508	3.7
309.09680	4.6
314.35080	1.0
533.23071	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	533.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.05523	0.7
56.96563	1.5
57.03452	0.6
59.04989	1.2
65.03934	0.8
67.05493	2.4
68.05013	0.8
69.03417	1.4
69.38044	6.2
70.06552	0.7
74.17248	0.6
79.05494	4.6
80.04999	1.1
81.03411	1.8
81.05777	1.2
82.06567	2.4
83.08604	0.8
85.02886	0.9
85.06548	0.8
91.05480	6.1
93.05794	1.2
93.07049	10.3
94.06575	9.8
95.01323	1.8
95.04971	1.3
95.07359	10.5
95.08596	2.4
96.07540	1.5
96.08134	19.3
97.02872	1.6
97.06535	1.9
103.05464	2.1
104.05065	0.9
105.07032	1.1
108.08125	13.6
109.02872	1.5
109.06482	0.9
109.08895	2.0
110.09682	37.3
116.04994	1.7
119.04961	2.8
120.08108	25.3
122.06021	2.9
123.06825	1.4
124.07586	2.8
127.03909	2.1
132.04436	1.5
133.10153	1.1
136.07585	20.0
137.05971	2.0
138.09148	40.0
143.03348	1.2
144.04445	3.3
145.05113	0.8
146.04962	1.0
146.06032	15.5
146.12946	0.8
147.04402	12.1
148.07581	10.1
149.09631	1.0
153.01830	10.1
154.08647	2.1
160.03944	20.1
161.09732	0.7
162.05496	1.9
166.08647	100.0
167.07062	1.0
172.03958	13.7
174.05493	1.6
178.04970	3.1
186.05566	2.2
188.07031	2.9
190.04936	7.4
202.05074	1.0
204.06537	16.4
205.04800	1.0
212.07104	1.6
214.05009	3.9
216.06567	0.9
228.06502	0.8
230.04485	1.6
232.07080	0.9
240.06578	1.5
244.06033	1.4
256.06107	0.9
259.02200	0.9
264.08984	1.2
267.66980	0.9
270.04010	2.4
277.03268	1.3
279.11353	1.5
285.07654	1.1
288.04984	1.1
293.09985	1.2
297.12195	1.1
303.01474	1.2
306.93958	0.9
307.11151	2.5
312.04965	1.7
325.11865	11.6
330.06149	5.5
336.07178	19.0
339.13522	2.1
343.12805	1.4
348.07019	7.0
357.14502	2.3
362.08759	4.9
368.09784	39.3
455.14450	2.1
465.12930	1.5
483.14032	8.5
501.14920	4.2
515.16418	2.0
533.19702	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	533.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03937	1.7
55.01871	3.8
55.92088	0.7
57.03432	1.5
61.02929	1.3
65.03942	4.1
67.05501	1.4
67.60432	0.7
68.19757	0.8
68.99773	1.4
69.03431	9.2
69.07069	1.5
70.15054	2.4
71.04984	1.2
73.02921	1.0
79.05505	4.0
81.03431	7.9
81.07052	1.0
85.02911	13.9
91.04039	0.9
91.05474	4.5
93.07056	1.8
95.01313	1.2
95.04964	1.8
95.08616	1.1
97.02897	5.2
99.04450	1.9
105.07024	5.7
107.04934	1.4
107.08589	2.3
109.02877	3.0
109.06508	1.0
109.10149	2.2
111.04396	2.2
115.05460	4.8
117.07018	1.3
119.04942	4.8
119.08604	2.5
121.02916	1.1
121.10126	1.6
123.04447	2.0
127.03920	3.2
127.11206	2.3
128.06232	3.4
129.06995	10.2
131.04933	3.4
131.08580	1.3
133.06520	1.5
133.10153	3.3
135.04419	80.3
135.11639	1.2
137.05916	1.6
143.04944	5.5
145.06541	1.9
145.10112	1.6
147.03346	1.5
147.04424	18.9
149.02347	100.0
149.09616	1.1
151.03893	5.7
151.07564	1.2
153.01830	1.4
157.06487	11.9
157.10196	0.8
159.04424	2.6
161.05962	2.5
161.09636	3.7
163.03931	6.3
163.11121	1.3
171.04419	2.6
173.05957	4.5
173.13268	0.9
175.03870	1.3
175.07576	2.1
177.05467	2.2
179.10728	1.4
185.05989	2.7
187.03908	1.1
187.07541	9.8
189.05504	6.3
189.09064	1.4
189.12750	1.4
201.05470	24.0
203.06984	4.7
207.13756	1.0
213.05553	2.4
219.06232	5.3
219.08424	4.3
224.04517	0.9
231.06448	9.5
235.07544	2.4
247.07529	4.3
249.09195	2.2
259.07599	5.0
262.06204	1.1
263.07089	1.3
265.08636	2.3
271.06033	7.7
275.07043	2.7
277.08652	6.4
281.04343	2.5
282.05252	3.9
287.07053	1.6
293.08240	3.9
305.08072	7.1
307.09814	4.6
308.06815	1.1
317.08035	6.1
323.09164	15.7
335.09180	17.4
341.10208	3.5
353.10205	29.9
355.11655	1.1
371.11319	11.3
533.14966	1.3
533.23645	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	533.1654
Annotation	Luteolin 7-[6''-(2-methylbutyryl)glucoside]
Peak:m/z	Relative Intensity
50.74416	0.1
57.07075	0.3
57.37231	0.1
67.01855	0.5
67.05502	0.3
68.99474	0.1
68.99808	0.5
69.07076	0.2
81.03418	0.3
81.07053	0.3
85.02892	0.2
85.06541	0.2
89.03916	0.3
91.05473	0.5
93.07043	0.3
95.08604	0.3
97.02928	0.2
105.07037	0.6
107.08581	0.3
109.02886	0.2
109.10176	0.2
119.04942	0.2
119.08586	0.4
121.06571	0.2
121.10161	0.3
121.99216	0.2
123.08066	0.1
127.03931	0.2
133.10106	0.4
135.04420	1.7
135.11694	0.2
137.02359	0.3
137.05972	0.2
145.06503	0.1
145.10202	0.2
147.04425	1.2
149.09529	0.1
153.01833	5.2
157.10190	0.1
161.02325	0.5
167.07039	0.2
171.02892	0.6
179.03386	0.3
213.05479	0.3
227.89505	0.1
241.04948	0.6
269.04446	0.3
287.05490	100.0
288.05774	1.3
331.99301	0.1
515.28717	0.2
533.16431	2.2
533.23822	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37865	5.2
53.03942	8.1
55.05519	14.1
67.05508	86.0
69.07058	15.7
79.05498	60.2
81.07061	90.9
83.08628	10.6
84.87558	5.7
91.05494	34.6
93.07051	75.5
95.08618	80.2
105.07054	32.2
106.90195	5.1
107.08598	43.6
109.10154	36.7
117.07032	14.4
119.08571	26.9
121.10156	45.2
123.11697	12.6
131.08615	31.2
133.10127	15.4
135.11656	30.1
137.13213	7.9
145.10101	17.4
147.11674	14.3
149.13303	29.0
159.11699	15.8
161.13301	12.9
163.14798	25.5
173.13243	17.8
177.16383	12.4
182.55051	5.5
187.14871	8.7
233.22606	7.6
243.21114	39.3
261.22156	100.0
291.53122	7.0
335.25638	20.0
353.26770	29.4
394.18695	5.8
494.93082	7.8
500.33057	16.8
508.33179	7.5
508.83365	10.0
532.37219	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	533.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.9
53.03937	1.7
55.01871	3.8
55.92088	0.7
57.03432	1.5
61.02929	1.3
65.03942	4.1
67.05501	1.4
67.60432	0.7
68.19757	0.8
68.99773	1.4
69.03431	9.2
69.07069	1.5
70.15054	2.4
71.04984	1.2
73.02921	1.0
79.05505	4.0
81.03431	7.9
81.07052	1.0
85.02911	13.9
91.04039	0.9
91.05474	4.5
93.07056	1.8
95.01313	1.2
95.04964	1.8
95.08616	1.1
97.02897	5.2
99.04450	1.9
105.07024	5.7
107.04934	1.4
107.08589	2.3
109.02877	3.0
109.06508	1.0
109.10149	2.2
111.04396	2.2
115.05460	4.8
117.07018	1.3
119.04942	4.8
119.08604	2.5
121.02916	1.1
121.10126	1.6
123.04447	2.0
127.03920	3.2
127.11206	2.3
128.06232	3.4
129.06995	10.2
131.04933	3.4
131.08580	1.3
133.06520	1.5
133.10153	3.3
135.04419	80.3
135.11639	1.2
137.05916	1.6
143.04944	5.5
145.06541	1.9
145.10112	1.6
147.03346	1.5
147.04424	18.9
149.02347	100.0
149.09616	1.1
151.03893	5.7
151.07564	1.2
153.01830	1.4
157.06487	11.9
157.10196	0.8
159.04424	2.6
161.05962	2.5
161.09636	3.7
163.03931	6.3
163.11121	1.3
171.04419	2.6
173.05957	4.5
173.13268	0.9
175.03870	1.3
175.07576	2.1
177.05467	2.2
179.10728	1.4
185.05989	2.7
187.03908	1.1
187.07541	9.8
189.05504	6.3
189.09064	1.4
189.12750	1.4
201.05470	24.0
203.06984	4.7
207.13756	1.0
213.05553	2.4
219.06232	5.3
219.08424	4.3
224.04517	0.9
231.06448	9.5
235.07544	2.4
247.07529	4.3
249.09195	2.2
259.07599	5.0
262.06204	1.1
263.07089	1.3
265.08636	2.3
271.06033	7.7
275.07043	2.7
277.08652	6.4
281.04343	2.5
282.05252	3.9
287.07053	1.6
293.08240	3.9
305.08072	7.1
307.09814	4.6
308.06815	1.1
317.08035	6.1
323.09164	15.7
335.09180	17.4
341.10208	3.5
353.10205	29.9
355.11655	1.1
371.11319	11.3
533.14966	1.3
533.23645	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	532.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
57.03446	4.4
57.07049	0.7
59.05002	1.1
60.88506	0.7
67.05492	3.2
69.03078	1.1
69.03434	19.1
69.07048	1.3
69.88300	1.7
69.88709	2.9
70.06583	2.4
71.04983	1.8
73.02897	0.9
79.05513	1.9
81.03412	2.4
81.07063	2.0
85.01118	1.5
85.02907	16.5
87.04466	7.8
91.05467	2.3
93.07046	2.8
95.04980	1.2
95.08597	2.8
97.02898	12.0
98.97606	0.8
99.04485	1.2
105.07027	4.0
107.04964	1.0
107.08578	4.2
108.09393	1.3
109.02881	1.9
109.06554	1.1
109.10161	5.1
111.04428	0.9
112.02193	6.9
115.03937	10.5
119.04946	2.1
119.08588	2.3
121.02825	0.7
121.10145	5.9
126.02810	1.0
126.03742	18.7
127.03954	3.4
131.08504	0.8
133.04980	11.0
133.06522	0.9
133.10120	1.3
135.07991	0.8
136.07480	0.7
137.05980	0.8
137.09639	8.4
139.03865	0.9
140.05292	31.1
145.02823	1.4
145.04950	2.2
145.10123	1.4
147.04411	5.3
148.04733	1.3
148.72821	0.7
150.03737	0.8
152.05298	0.9
153.01854	1.6
155.10690	1.0
164.05324	4.1
165.09149	7.2
171.06520	2.0
177.05484	1.6
178.06883	9.9
183.10251	0.8
191.10687	0.8
192.08470	2.1
194.10005	2.0
201.11313	0.8
204.08556	0.7
206.09929	0.9
212.09950	0.7
220.11560	32.4
238.12611	91.1
239.12904	1.6
285.13095	0.7
309.13321	2.0
327.14896	0.9
345.06143	1.0
370.16763	0.9
400.17905	100.0
401.18161	1.5
489.30719	0.8
532.21295	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	531.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.2
55.01863	7.6
55.05298	2.3
55.05518	28.8
57.03420	5.8
57.07042	2.5
65.03926	5.1
67.05507	100.0
69.03430	5.2
69.07079	25.3
71.04977	11.3
71.61649	3.3
73.57093	2.4
79.05497	76.7
81.03421	10.2
81.07060	91.1
82.07391	3.5
83.04985	10.6
83.08633	14.0
85.02893	3.2
85.06569	6.4
85.12893	2.4
91.05482	80.4
93.07045	77.0
93.07616	5.0
95.04980	14.9
95.08612	41.9
97.06537	6.1
97.10155	6.0
99.04436	5.1
103.05470	3.5
105.07037	65.4
107.04964	3.5
107.08603	58.1
109.06522	7.9
109.10156	78.2
109.10904	4.3
111.08109	2.4
113.06037	3.2
115.52753	2.4
117.07013	14.7
119.08592	25.6
121.10146	21.8
121.72340	2.6
123.08068	3.7
123.11697	16.1
125.09611	6.5
127.24738	2.8
129.06973	3.0
131.08575	20.3
133.10132	81.2
135.11722	16.1
139.11136	2.8
143.08536	5.6
145.10159	17.0
146.06020	2.8
147.11690	11.7
149.13255	8.7
151.09972	3.3
151.11174	41.4
155.08542	3.6
157.10126	2.9
159.11716	9.6
161.09605	4.8
161.13272	5.4
163.14824	3.9
169.12257	10.2
173.13371	6.0
175.14845	3.4
179.10655	2.5
185.13252	3.1
187.14923	4.6
188.07141	5.0
193.12253	9.2
197.11763	3.4
199.14870	4.0
202.06772	2.4
211.13368	5.9
215.12808	4.8
243.21089	4.4
253.14363	68.6
261.22189	20.4
271.15231	2.8
276.10385	2.6
308.46417	2.7
317.24854	5.5
373.63788	2.7
421.31216	3.0
439.31924	7.2
457.33218	6.0
513.35883	15.1
531.36938	90.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3683
Annotation	Rubianol b
Peak:m/z	Relative Intensity
55.05515	19.3
58.25083	7.0
63.47414	7.2
67.05521	33.7
69.07069	16.5
72.40556	7.0
79.05514	33.3
81.07062	55.9
83.04968	14.5
83.08613	18.3
84.25539	6.9
84.34426	6.1
90.26207	7.1
91.05476	35.6
93.07058	64.4
95.08618	69.7
105.07040	64.4
107.08588	100.0
109.06490	7.2
109.10164	47.7
117.07019	17.1
119.08594	88.6
121.06528	11.9
121.10145	69.3
123.11704	23.1
125.09652	34.7
129.07004	9.4
131.08575	57.0
133.10153	77.7
135.11699	31.6
143.08545	21.4
145.10155	71.2
146.06062	13.0
147.11670	25.8
149.13297	16.7
153.09258	6.8
155.08534	8.3
157.10172	13.5
159.11746	47.6
161.13275	24.8
163.14861	17.1
171.11687	13.6
172.12527	6.5
173.13249	35.4
175.14853	32.2
177.16423	19.3
179.44507	6.5
185.13266	12.1
187.14830	35.6
188.07014	13.5
189.16394	59.0
191.14320	21.4
191.17990	14.4
199.14758	16.1
201.16374	86.8
203.17989	21.5
205.15935	11.5
213.12785	6.3
213.16444	48.7
215.17966	37.3
217.19504	12.6
219.17433	49.5
231.17101	7.8
233.19058	12.1
235.16930	28.1
241.19427	9.6
247.16946	20.2
267.21042	15.0
330.72397	6.8
389.31851	10.6
407.33133	84.8
409.34500	15.2
435.32590	21.3
450.54926	8.5
453.33554	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	531.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.2
55.05510	0.6
56.96573	0.3
67.05498	0.7
69.03451	1.2
69.07053	0.6
69.33836	1.0
69.34263	1.2
69.54231	0.3
71.04989	0.4
71.08092	0.2
78.17928	0.3
79.05481	0.8
81.03410	0.7
81.07063	1.2
83.04988	0.3
85.02898	0.9
86.06045	0.5
91.05488	1.0
93.07046	1.0
95.04953	0.4
95.08611	0.7
97.02899	0.5
97.06526	0.3
98.97567	0.4
99.04471	0.8
103.05473	0.4
105.07050	1.6
107.04971	0.3
107.08576	1.2
109.02879	0.6
109.06496	0.4
109.10150	0.4
114.72493	0.3
119.04959	0.3
119.08617	0.5
121.06474	0.4
121.10166	0.5
123.08101	0.5
125.09664	0.3
127.03915	1.3
131.04984	0.3
131.08545	0.5
133.06505	0.5
133.10124	0.7
135.08069	0.8
135.11647	0.4
137.05995	0.7
137.09561	0.4
143.08557	0.3
145.10132	0.5
147.04425	0.9
147.11668	0.4
149.07472	0.4
153.01849	1.0
159.08076	0.3
161.05945	0.6
161.09627	1.0
162.05453	1.8
163.05864	0.8
163.07449	0.3
163.11230	0.4
167.07048	0.4
173.13153	0.3
175.11169	0.4
177.09023	0.4
189.09161	0.4
189.12794	0.3
191.14410	0.3
203.05280	2.7
209.15410	0.3
215.10944	0.2
271.06049	0.6
287.05557	0.7
289.14548	0.3
339.27460	0.4
351.28763	2.6
369.29730	0.9
411.30399	0.5
531.35089	100.0
532.35510	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	530.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58959	3.0
52.27229	3.4
55.05513	20.4
57.03431	14.1
60.04529	6.3
62.06086	4.1
67.05505	30.2
69.03422	8.3
69.07060	13.9
71.04989	6.5
71.61522	5.5
72.04514	6.1
74.06079	7.5
79.05502	27.9
81.03419	84.9
81.07060	36.4
83.04991	19.0
83.08627	29.8
85.02907	30.6
88.97865	3.1
91.05489	46.9
93.07032	19.7
95.04971	35.4
95.08601	20.0
97.02911	3.9
97.06539	6.0
105.07030	29.5
107.04950	10.4
107.08600	14.0
109.06545	7.0
111.04416	4.7
111.08075	8.9
119.08586	25.0
121.06505	2.9
121.10140	15.7
123.08042	3.1
126.05550	4.5
129.06998	16.0
129.90939	3.9
131.08589	18.3
133.06468	5.7
133.10135	15.1
133.90240	3.0
142.07750	4.8
145.10175	6.2
147.07996	4.1
147.11688	23.1
149.09604	8.1
157.10126	15.6
161.09712	4.3
162.07610	5.9
163.11142	4.7
165.12782	3.9
175.11140	20.4
187.14925	4.1
193.12257	70.6
193.14038	4.3
201.16376	3.3
211.13293	100.0
211.15247	7.5
229.05333	3.4
267.15952	28.0
285.16971	79.9
477.28424	13.7
494.36655	4.1
495.29434	32.4
512.37524	7.2
530.38538	54.2
548.44122	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	531.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.5
55.05500	0.6
57.03442	1.0
67.05532	0.9
69.03424	1.6
69.07078	0.9
71.04980	0.6
79.05484	1.0
81.03438	0.6
81.07057	1.2
84.63577	0.4
85.02908	1.7
85.06572	0.5
91.05495	1.9
93.07070	0.7
95.08611	1.2
97.02919	0.6
98.97618	0.5
99.04475	0.6
102.34907	0.4
103.05470	0.4
105.07030	2.4
107.05012	0.5
107.08604	1.7
108.00826	0.5
109.02896	0.6
109.10152	0.7
116.78661	0.5
117.06985	0.4
119.08594	1.3
121.06519	0.8
121.10169	0.7
123.08080	0.6
127.03947	1.3
131.04932	1.2
133.10141	1.6
135.04433	0.5
136.55196	0.4
137.05969	0.9
137.09665	0.7
143.08589	0.6
145.10120	1.0
147.04459	1.2
149.02399	0.8
149.13339	0.4
151.03845	0.5
153.01874	1.0
158.03564	0.4
159.11748	0.4
161.09599	1.1
187.07658	0.5
191.14304	0.8
203.05264	0.8
207.10327	0.4
271.06161	2.0
351.28604	0.6
369.10007	0.9
445.20731	1.2
531.23462	4.2
531.35120	100.0
532.35333	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85080	0.4
53.03947	0.7
54.90606	0.4
55.05522	0.4
63.02392	0.4
66.25007	0.3
66.45412	0.3
66.60513	0.3
66.90385	0.3
69.03431	1.5
70.06593	1.9
71.61295	0.6
77.03928	0.4
79.05486	1.1
79.63612	0.4
81.03412	4.4
85.02904	1.6
86.09729	0.4
89.03917	5.8
89.09830	0.3
95.04977	0.5
97.02926	0.6
99.04464	0.7
106.95363	0.3
107.04980	1.4
108.35584	0.4
109.02907	2.0
117.03387	7.8
120.08076	0.3
124.11239	0.4
127.03951	0.5
132.04465	7.1
135.03384	0.8
135.04425	16.1
138.05510	1.1
145.02861	10.9
146.06032	1.3
147.04471	0.5
153.01833	2.4
160.03822	0.4
163.03911	98.0
164.04327	0.6
178.05000	64.9
179.05424	0.4
181.04967	1.1
191.03416	1.1
206.04491	100.0
207.04822	1.1
227.72832	0.4
237.10258	1.3
249.01108	0.4
251.08101	0.4
265.09744	1.5
267.11020	0.6
293.09174	1.4
295.10831	0.6
303.01340	0.4
307.08142	6.3
311.10263	1.6
313.11716	0.5
317.14548	0.4
321.08810	0.5
325.09161	2.1
339.09738	2.4
353.11426	0.4
368.09778	2.2
368.14551	0.5
371.12418	5.2
452.18161	0.4
480.17636	1.3
530.12213	0.7
530.19720	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.1
55.01872	2.7
55.05254	1.4
55.05513	21.5
57.03446	6.2
57.07066	4.2
65.03928	3.7
67.05507	79.6
69.03407	1.1
69.06713	1.3
69.07073	23.8
70.90832	1.0
71.05045	3.2
77.03903	1.6
79.05496	63.3
81.03417	2.0
81.07059	83.8
83.04980	5.9
83.08614	13.0
85.06538	3.9
89.82909	1.0
91.05484	36.8
93.07048	79.6
95.04959	7.7
95.08612	37.6
97.06535	8.2
97.10150	3.0
99.08101	3.0
103.05472	1.3
105.04518	2.2
105.06366	1.8
105.07032	24.0
107.08597	37.4
109.06525	3.9
109.10159	13.0
111.08078	5.3
111.11754	1.6
115.05439	1.3
116.99397	1.1
117.07021	13.4
119.06079	1.2
119.08580	15.2
121.10145	29.1
123.08083	1.0
123.11681	2.6
125.09607	1.3
129.07011	4.4
131.08582	21.1
133.10124	15.1
135.08069	1.4
135.11690	13.0
137.09654	1.3
139.11162	1.4
141.07068	1.0
143.08614	4.9
145.10123	13.4
147.11725	8.2
149.09647	1.0
149.13266	30.1
155.08514	1.5
157.10153	4.9
159.11673	17.4
161.13261	4.2
169.10139	2.1
171.11728	4.4
173.13258	8.0
175.14864	1.3
177.12810	4.8
177.16428	1.4
181.10173	1.4
183.11667	2.2
185.13274	3.5
187.14842	3.0
195.13785	6.5
197.13213	2.2
199.14845	2.6
201.16444	1.2
257.46164	1.0
261.22247	5.4
285.22076	1.0
317.24774	1.8
325.03281	1.0
371.80197	1.0
419.33112	2.1
437.34326	6.5
455.35147	2.6
473.36496	1.1
478.75314	1.1
511.37729	3.2
529.38898	100.0
530.39172	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98022	0.6
53.03949	2.0
55.01875	2.1
55.83694	0.5
57.03436	5.3
61.02933	9.4
61.81961	0.6
64.55365	0.6
69.03434	15.7
69.07018	0.5
69.80563	3.2
71.04999	2.9
73.02920	3.1
81.03412	6.4
83.25094	0.5
85.02908	100.0
87.04476	1.6
91.03971	4.8
92.82825	0.6
97.02900	23.7
98.21424	0.8
99.04475	4.1
101.02443	0.7
109.02885	9.8
109.03565	0.8
115.03948	0.9
127.03926	26.6
145.04961	50.1
163.06030	17.9
181.26860	0.6
212.87033	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91235	1.2
51.02385	1.5
53.03952	6.1
55.01855	1.8
55.05513	21.2
56.06209	1.1
57.03427	4.8
57.07061	3.5
65.03944	3.4
67.05506	70.5
69.03452	1.7
69.07069	21.2
69.86446	1.3
70.46906	1.2
71.04985	4.6
72.73285	1.2
77.03941	1.5
78.07023	1.2
79.05495	61.2
79.13638	1.2
81.03394	3.1
81.07059	74.9
83.04989	5.3
83.08622	14.9
85.06513	2.3
91.05481	37.5
93.07050	74.2
93.80604	1.2
95.04972	6.7
95.08611	38.2
97.06534	7.6
97.10179	3.0
99.08160	1.5
105.04528	2.7
105.07031	22.8
107.08595	38.2
109.06522	2.8
109.10164	12.9
111.08100	5.7
112.73240	1.2
115.05421	1.9
117.07019	12.8
119.08591	14.0
121.10149	27.0
123.08095	1.5
123.11732	3.7
129.07030	3.2
131.08569	19.7
133.10159	13.2
134.74277	1.5
135.08093	1.5
135.11693	16.4
139.11160	2.7
140.14053	1.2
143.08578	2.9
145.10162	10.4
147.11673	6.3
148.46878	1.2
149.13272	24.8
155.08559	1.8
157.10143	4.0
159.11711	15.5
161.13246	3.0
167.14389	1.4
171.11703	3.6
173.13293	4.0
175.14787	1.5
177.12761	3.4
181.10153	1.8
183.11690	2.0
185.13393	2.2
187.14775	3.1
195.13792	7.0
199.14748	1.4
223.14777	1.3
234.75984	1.1
243.21085	1.8
243.97960	1.2
259.21021	1.4
261.22177	4.8
299.23639	1.7
317.24573	1.6
345.51102	1.5
359.50745	1.5
375.26343	1.3
409.34982	1.5
437.34433	4.8
455.35526	2.0
511.37766	2.9
529.38916	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.6
57.03421	5.7
57.06860	1.2
57.07075	13.9
59.04992	3.3
61.36360	1.4
68.04265	1.4
69.03429	18.4
69.07068	59.6
70.06594	2.8
71.04974	4.6
71.08619	8.1
71.10857	3.6
73.06551	11.4
73.21851	1.5
79.05467	1.8
81.07049	2.5
83.08608	2.9
85.02898	14.0
85.10181	4.5
86.00458	1.6
87.04461	10.8
89.06026	36.9
91.05463	2.9
93.07038	2.7
97.02891	14.4
105.07018	2.4
109.10089	1.4
111.11723	83.6
114.04337	1.4
115.03938	14.9
121.24980	1.5
127.03922	2.8
129.12752	100.0
132.99434	1.5
133.04965	13.2
133.10098	1.9
145.04935	2.8
162.73355	1.4
188.07063	2.1
199.16936	23.8
207.13808	1.8
217.17986	28.5
236.09216	2.3
528.18610	2.1
528.30231	2.8
529.33447	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	528.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40410	1.8
55.05490	2.2
57.01668	1.9
61.02954	2.0
67.05500	8.9
67.66428	1.9
69.03421	2.0
69.07057	4.2
76.72274	2.0
77.78805	1.9
79.05485	8.6
81.03453	2.4
81.07064	5.4
86.16824	2.0
87.05584	1.8
88.87691	1.9
89.06023	4.0
91.05477	8.6
93.07043	6.8
95.08596	3.2
103.05476	12.6
105.07031	85.9
107.08597	3.0
109.10168	2.8
117.82361	2.0
119.08610	3.8
121.10178	3.8
129.07013	3.2
131.08601	5.1
133.10110	2.8
143.08539	2.8
150.13521	2.2
171.08115	2.4
178.07860	2.4
192.09212	2.4
207.08089	2.7
220.08826	2.4
221.09607	5.8
224.32246	2.0
226.59212	2.1
234.10275	2.2
249.12767	26.7
262.85196	2.3
267.00586	2.5
327.17416	39.2
366.20840	2.5
389.21152	7.2
405.22144	100.0
406.22437	3.6
493.27438	52.5
516.31903	2.6
528.38043	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.302
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94812	0.7
53.03939	0.9
55.05513	9.2
57.03445	5.2
57.06816	1.2
57.07076	14.8
59.05007	3.7
60.80626	0.6
61.02917	1.0
67.05470	1.2
69.03431	20.5
69.03802	1.3
69.07069	62.9
69.28963	6.8
70.06583	1.3
71.04993	6.9
71.08636	9.4
73.02914	1.5
73.06156	0.9
73.06556	12.4
79.05482	0.9
81.03413	2.0
81.07064	1.7
83.05004	0.7
83.08627	2.1
85.02903	15.0
85.10188	5.5
87.04463	11.7
89.06034	33.8
91.05462	1.4
93.07024	1.4
95.08607	1.7
97.02892	16.2
99.04469	1.0
99.11768	1.1
105.07027	1.9
109.02864	1.8
109.06510	0.9
109.10113	1.4
111.11720	83.2
112.12064	1.0
115.03930	14.1
119.08530	0.7
121.02866	0.8
121.10129	0.8
127.03899	2.6
127.07542	1.6
129.12753	100.0
130.13123	1.1
131.08615	0.8
133.04971	12.5
133.10123	1.2
135.11729	1.3
137.09689	0.8
145.04961	3.2
147.04430	1.7
150.07635	1.1
153.01767	0.7
166.57561	0.7
199.16931	18.3
211.16864	1.0
217.17986	26.9
221.78329	0.7
271.06079	1.4
272.06363	2.5
284.85172	0.7
374.64072	0.7
408.56659	0.7
507.36914	0.8
528.28198	2.6
529.33459	1.0
550.98151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	7.1
56.13173	0.9
57.03444	5.1
57.07077	12.5
59.04992	4.4
62.36907	0.9
64.54830	0.9
69.03434	18.3
69.07069	51.2
69.35379	2.6
69.35791	6.8
71.04994	5.3
71.08636	8.6
73.02927	0.9
73.06556	10.3
81.03392	1.5
83.08627	2.3
85.02905	13.2
85.10172	4.4
87.04470	11.3
89.06037	31.4
91.05443	1.2
91.50325	1.1
95.08595	1.2
97.02898	15.0
105.07005	1.4
109.10176	1.0
111.11722	84.4
115.03926	12.4
127.03979	1.0
129.12761	100.0
130.13049	1.3
133.04993	14.1
145.04951	1.4
179.01291	0.9
199.16946	20.8
212.04698	1.0
217.17995	32.7
217.20041	2.1
227.95012	1.2
271.05740	1.0
272.06729	1.1
528.28168	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47770	0.4
54.03474	1.3
55.04256	0.6
56.96567	0.5
57.03448	0.7
65.03952	0.5
66.70965	0.4
67.05521	0.8
69.03425	0.7
69.07066	0.6
70.06594	100.0
70.56248	0.4
71.06915	0.5
71.47938	0.4
71.62031	0.6
79.05495	0.6
81.03414	0.8
81.07038	0.5
82.23322	0.4
85.02901	0.8
86.03207	0.5
91.05469	0.7
93.07050	0.6
95.04995	0.9
95.08597	0.7
98.97585	0.7
103.80563	0.4
105.07031	0.7
107.04942	0.7
107.08576	0.5
109.02934	0.6
109.10098	0.5
111.08083	0.4
119.04935	1.2
119.55939	0.4
121.02875	6.5
122.66039	0.4
127.03912	1.7
128.04268	0.5
135.04453	0.8
145.02841	1.7
147.04425	1.3
152.07137	0.6
153.01849	0.6
163.03922	4.2
164.10693	0.6
173.02515	0.5
179.03333	0.7
181.05013	0.9
191.03398	15.1
192.10249	0.5
201.22185	0.5
208.09576	0.4
222.11296	1.2
239.07448	0.4
246.97772	0.4
263.06918	0.5
268.99365	0.6
279.20657	0.4
281.08115	5.6
292.07208	0.6
297.07599	37.7
298.07919	0.6
305.07950	0.4
309.07587	57.3
310.07996	1.6
317.08432	1.6
318.08777	1.5
320.09280	0.7
359.12259	0.6
366.02179	1.5
366.13297	0.6
385.09949	0.5
396.20535	0.7
459.06299	0.6
459.12872	16.5
471.12897	19.6
472.13257	0.6
478.15933	1.2
528.08984	4.1
528.18347	26.9
528.25073	15.4
529.08734	0.7
529.18878	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.3351
Annotation	Oncostemonol F
Peak:m/z	Relative Intensity
52.44094	0.6
55.05517	1.0
56.96586	0.8
67.05505	2.8
69.03437	1.3
69.07069	1.2
71.05013	0.6
79.05526	1.5
81.03410	1.2
81.07067	3.6
83.04984	1.1
83.08637	1.0
85.02930	1.1
85.06569	1.1
86.09747	1.0
86.67812	0.6
91.05500	2.8
93.07056	2.2
94.13773	0.7
95.04976	1.2
95.08616	1.6
97.06520	0.9
99.04446	0.7
105.07078	2.9
105.49727	0.7
107.04971	0.7
107.08633	2.6
109.06564	1.0
109.10168	1.7
119.08612	1.4
121.10184	1.8
123.04437	0.8
123.08109	1.2
125.09654	1.4
127.03949	1.3
131.08563	0.8
133.10162	0.9
135.08052	0.9
147.08165	0.8
147.11705	1.1
165.09131	0.8
177.12729	0.9
218.19859	0.8
219.13899	0.7
345.06189	0.7
345.97662	0.8
346.88086	0.7
399.45535	0.7
450.07993	0.8
509.32742	2.8
527.33521	100.0
528.33832	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.2
55.01868	3.7
55.05513	18.6
56.50839	0.7
57.03422	3.0
57.07069	2.3
65.03951	1.7
67.05509	36.4
69.03432	1.7
69.07069	12.1
70.32813	1.5
70.33192	1.8
71.04998	2.0
79.05495	32.2
81.03420	26.1
81.07060	33.4
83.04995	4.0
83.08624	12.0
85.06564	1.4
91.05488	25.0
93.07051	26.8
95.04977	10.0
95.08614	20.6
97.06530	3.1
97.10166	8.6
99.08087	1.1
99.65224	0.8
103.05509	1.1
105.04554	1.4
105.06364	1.7
105.07039	25.7
105.07751	1.3
107.04956	2.1
107.08601	15.4
109.06523	1.7
109.10162	13.3
111.08098	3.5
112.97643	1.0
113.06031	0.9
115.05470	1.9
116.06294	0.8
117.07027	9.9
119.04944	1.0
119.08595	16.6
121.06509	0.8
121.10143	11.2
123.08090	1.8
123.11722	1.5
125.09655	4.7
128.06236	2.1
129.07008	11.6
130.07739	1.3
131.08586	19.0
133.06522	1.1
133.10132	11.3
135.08075	1.1
135.11694	7.2
137.09639	1.3
141.06987	2.4
142.07777	4.4
143.08569	9.4
144.09380	1.3
145.10138	13.6
147.08072	1.7
147.11711	7.8
149.09679	2.3
149.13286	3.5
155.08546	6.0
156.09250	0.7
157.10146	12.7
159.11717	10.4
161.13292	2.9
163.11177	1.1
163.14828	0.9
165.12727	0.9
167.08612	2.4
167.94554	0.9
168.09256	0.9
169.10159	8.3
171.11699	9.5
173.11867	1.1
173.13268	6.7
175.11246	3.6
175.14862	2.0
181.10115	4.7
182.10776	0.9
183.11673	7.1
185.13264	6.0
187.14857	3.1
189.11273	2.9
193.10347	1.2
193.12228	13.0
195.11736	4.8
197.13269	6.3
199.14871	4.9
201.16490	1.1
209.13306	3.3
211.14899	3.5
213.16377	2.7
215.17822	1.1
221.13342	1.1
223.14948	1.6
225.16545	1.9
235.14804	1.5
243.17267	0.8
243.21167	0.9
249.14885	1.7
261.22186	5.1
276.93890	1.0
283.20587	1.3
299.23898	1.2
301.25229	2.3
309.22147	1.5
311.23694	1.6
313.21600	1.7
315.23062	1.1
317.24789	1.2
341.25070	1.4
345.24347	1.1
353.24884	1.1
389.83060	0.9
398.03186	1.0
407.32968	1.1
413.51749	0.8
417.31570	3.7
425.34500	1.0
435.32709	11.9
453.33731	9.0
469.27536	1.0
471.34583	6.7
473.34476	1.0
509.36649	5.3
527.37378	100.0
528.37885	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	527.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01860	1.2
55.05509	1.4
56.93187	0.4
57.03420	1.3
59.04992	0.4
60.38595	0.4
60.98283	0.4
62.61295	0.4
67.05510	2.3
69.03423	2.0
69.07068	1.3
69.62081	1.7
69.62490	0.8
70.06592	4.2
71.05003	1.8
71.77074	0.4
79.05488	2.3
81.03425	2.6
81.07062	3.5
83.04971	1.0
83.08619	1.1
84.98468	0.4
85.02898	1.4
85.06546	0.8
87.04485	0.4
91.05483	2.2
93.07052	3.6
95.04974	1.1
95.08614	2.9
97.02893	1.2
97.06530	1.5
98.97568	0.5
99.04424	0.7
105.07035	6.1
105.89169	0.3
107.08599	3.4
109.02868	2.9
109.06520	1.6
109.10158	1.4
111.04443	0.4
111.08075	2.4
113.05990	0.6
117.07009	0.7
118.73242	0.3
119.08575	4.0
121.06555	0.6
121.10142	1.9
123.04401	0.4
123.08070	6.0
125.09634	0.5
127.03918	100.0
127.07551	1.3
128.04265	0.8
129.09103	1.0
131.08601	1.1
133.10135	2.8
135.08025	0.6
135.11784	0.6
137.05971	0.5
141.09071	0.6
143.08572	1.1
145.10103	2.2
147.04411	2.2
147.11685	4.9
149.09618	1.7
149.13297	0.7
153.01849	0.6
155.07011	0.4
155.65350	0.4
156.09232	0.6
157.10097	1.8
159.11728	1.2
161.09567	0.8
161.13307	0.7
163.11269	1.8
165.12791	0.8
169.53944	0.4
170.10878	0.4
173.13281	0.4
175.11163	0.7
175.14838	1.9
177.12723	0.4
185.13272	1.0
191.03476	0.8
203.14310	3.1
208.09691	0.8
219.13741	0.6
221.15341	4.4
229.06776	0.6
239.16447	0.9
245.15479	0.7
246.19243	0.4
271.05988	0.7
297.07578	1.8
307.31146	0.4
309.07523	2.8
317.08444	17.1
318.08826	0.5
329.17444	0.5
365.19571	0.5
395.20450	0.8
449.81046	0.4
459.12836	0.6
471.13016	0.8
527.08832	29.8
527.24500	13.3
528.09155	1.0
528.18744	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43337	0.1
52.22604	0.1
55.05502	0.2
56.96572	0.2
57.98028	0.1
67.01862	0.6
67.05505	0.2
67.06620	0.1
68.99785	0.6
69.03424	0.4
69.07056	0.3
69.43317	0.7
70.45542	0.1
71.04982	0.2
75.41450	0.1
80.19444	0.1
81.03414	0.5
81.07074	0.2
83.04967	0.1
83.08620	0.2
85.02899	0.4
91.05472	0.6
93.07010	0.2
95.01328	0.5
95.08532	0.2
97.02892	0.3
99.04432	0.1
105.07018	0.2
107.08598	0.1
109.02858	0.4
109.10159	0.1
111.11731	0.2
113.02370	0.8
119.04955	2.4
119.05788	0.1
119.08629	0.1
121.02878	0.6
121.10143	0.1
125.02431	0.1
127.03902	0.6
129.01826	0.2
129.12712	0.2
131.85654	0.1
135.11708	0.2
137.09657	0.1
145.02818	0.7
145.04918	0.1
147.04408	0.3
153.01830	5.8
163.03906	0.4
171.02863	0.4
187.03944	0.2
201.05591	0.1
203.07050	0.2
208.09579	0.2
225.05473	0.3
229.04993	0.4
239.05589	0.9
243.06509	0.4
247.06078	0.2
270.05191	0.2
271.06009	100.0
272.06348	1.6
274.16125	0.1
290.51840	0.1
361.40833	0.1
403.19565	0.1
527.11676	1.7
527.28693	0.5
528.12231	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	527.249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24443	0.7
53.03940	2.2
53.47209	0.7
54.08569	0.7
55.01843	0.8
55.05505	2.4
56.96533	0.8
57.03424	1.2
59.04980	0.7
61.02927	0.8
67.05502	5.3
69.03423	7.4
69.07073	4.0
69.27546	6.8
70.04079	1.2
70.06593	5.0
71.04995	4.2
76.61158	0.8
79.05486	3.1
81.03420	4.3
81.07053	7.6
83.04996	1.4
83.08624	1.8
85.02897	7.3
85.06531	1.0
86.03222	0.9
87.04456	1.8
91.05489	6.7
93.07046	6.8
95.04967	2.7
95.08607	5.4
97.02893	5.0
97.06536	1.7
97.10170	1.3
98.20728	1.2
98.97600	0.9
99.04418	1.4
99.08096	1.2
105.07026	5.7
107.08591	6.3
109.02895	3.2
109.06520	3.4
109.10164	4.5
111.04449	1.1
111.08083	2.9
113.06001	1.4
115.03965	3.9
119.04947	4.6
119.08553	4.6
121.06515	1.9
121.10149	2.8
123.04453	1.1
123.08047	6.2
123.11800	0.9
125.09626	1.6
127.03916	100.0
127.07533	1.5
128.04286	1.0
129.07033	1.2
129.09103	1.2
131.08571	1.6
133.04965	3.3
133.10114	4.3
135.08038	1.7
135.11691	3.0
137.09595	2.2
138.16553	0.8
139.07529	0.9
143.08578	1.4
145.04921	1.8
145.10127	3.8
147.04424	23.8
147.08070	0.9
147.11725	4.2
149.09616	2.2
153.01813	3.4
155.08604	0.7
157.10143	1.5
159.11647	1.1
161.09610	1.1
161.13213	1.1
163.11185	2.3
165.05542	1.6
165.09053	1.0
167.07042	1.4
171.06429	0.8
172.05255	0.8
173.13290	1.0
175.11188	1.4
175.14830	1.8
181.12204	1.0
185.13200	1.3
185.19078	1.8
191.10611	1.2
201.18507	1.0
203.12582	0.9
203.14395	3.0
208.09706	1.2
209.15422	0.9
221.15410	2.9
226.03638	0.7
236.16257	1.7
237.16533	0.8
266.99753	5.0
268.00046	5.0
268.99365	4.1
273.14993	1.1
297.07782	1.3
309.07446	2.2
317.08646	1.0
354.11642	0.9
364.02414	5.0
365.02823	13.3
365.21347	1.7
366.02167	7.4
395.20609	2.2
465.24689	1.0
495.19449	1.7
527.08545	1.3
527.25781	27.0
528.18658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.1
55.01876	1.4
55.05512	1.9
56.96569	1.1
57.03444	9.8
59.04994	1.5
67.05508	2.4
69.03430	4.3
69.07070	2.0
70.06572	1.6
71.04994	73.8
71.61765	1.6
71.62140	1.1
72.48808	0.9
73.02911	2.3
75.04477	3.8
79.05499	2.2
81.03407	2.9
81.07057	2.7
82.98109	1.1
83.04987	9.6
85.02907	100.0
85.06551	1.1
87.04464	2.0
89.89872	1.1
91.05496	3.3
93.07040	2.3
95.04971	1.6
95.08596	2.9
97.02891	6.2
99.04468	1.7
101.06035	1.4
103.03977	1.5
105.07036	4.7
107.04952	10.3
107.08604	2.1
109.02859	3.5
109.10143	2.1
110.06062	1.4
111.04441	4.7
119.04955	1.6
119.08573	1.9
121.02879	9.4
123.11674	1.3
124.11275	1.6
127.03917	6.5
128.06187	1.1
129.05486	40.0
130.97308	1.3
131.04924	3.4
133.10153	2.5
136.07637	1.6
137.05968	2.4
137.09628	2.4
141.06824	1.1
145.04973	3.5
145.06506	1.4
146.08170	2.2
147.04462	3.0
147.06519	17.7
150.04607	1.1
151.11153	1.3
153.01862	2.2
153.07034	1.7
158.11774	2.4
161.09634	1.8
162.09181	1.5
163.06071	1.2
163.11301	1.4
164.09227	8.6
167.14352	1.1
168.05704	1.8
171.07985	1.5
180.10269	1.2
182.07222	1.1
183.08066	20.3
192.10333	1.3
197.09624	8.2
201.09123	1.3
209.09575	1.5
209.15395	1.1
221.09566	2.0
225.09137	4.6
239.11903	1.0
244.78413	1.1
251.11891	1.1
255.08635	2.2
263.11743	6.3
265.09772	2.3
267.10107	7.1
277.09717	1.4
279.11285	3.9
283.08115	3.5
287.10257	3.4
291.11240	1.9
293.11963	1.2
295.10806	2.5
297.12308	1.0
298.13474	1.4
309.12335	7.0
323.13950	1.6
325.11938	1.6
335.10141	1.4
336.11063	1.4
337.11847	6.0
339.09482	1.5
341.14944	1.3
353.11301	3.6
364.15347	1.5
367.13095	1.4
368.13782	1.7
369.14618	4.8
370.56668	1.3
385.14111	2.5
476.18097	1.9
494.19437	6.0
508.21332	1.4
526.21930	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	525.2334
Annotation	Mascaroside
Peak:m/z	Relative Intensity
50.61047	0.8
51.05414	0.8
53.03941	0.9
55.05494	2.8
59.04982	1.0
67.05517	6.3
69.03436	5.3
69.07079	5.5
69.33840	2.7
69.34247	5.2
71.04978	1.7
71.17103	1.0
79.01834	3.4
81.03427	6.7
81.06651	1.0
81.07069	9.5
83.04971	4.1
83.08603	3.7
85.02895	2.6
85.06538	1.2
91.05476	1.5
93.07031	3.5
95.08606	13.8
97.02885	4.2
97.10162	1.0
99.08067	1.8
105.07014	4.2
107.01311	2.1
107.08590	10.0
109.02876	4.3
109.06498	4.7
109.10159	43.2
111.08060	1.5
113.09683	1.0
119.08586	18.1
121.10149	6.4
123.08095	5.3
123.11703	3.6
125.02340	3.1
127.03925	5.9
133.10143	8.4
135.11699	52.3
137.09583	6.8
138.87007	0.9
142.23923	0.8
143.03394	4.1
149.13243	3.1
151.11168	4.0
151.14853	4.9
153.01837	100.0
153.02898	3.8
153.12743	1.9
165.16370	0.9
171.02876	11.3
175.14818	20.9
191.23419	1.0
193.15895	29.7
211.16934	24.2
245.75093	1.1
297.06039	6.6
315.07220	7.4
519.17212	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.1844
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.4
55.05510	4.0
57.03451	1.2
57.07074	2.2
61.08784	1.0
65.03949	2.1
67.05511	14.9
69.03432	9.8
69.07085	2.1
70.71472	1.7
71.04997	2.3
79.05498	4.1
81.03418	9.2
81.07072	4.3
83.05008	2.6
83.08624	1.2
85.02905	11.0
85.06547	8.8
86.06099	1.2
91.05495	3.9
93.07056	8.0
95.04971	3.9
95.08611	38.4
97.02917	3.0
98.21423	1.3
98.97642	1.1
99.04468	2.5
105.07029	10.4
107.08580	4.7
109.02873	5.6
109.06541	2.7
109.10182	3.3
111.99531	2.0
113.06037	3.9
119.08592	17.0
121.02906	3.3
121.06487	2.0
121.10162	6.8
123.08057	15.2
123.11745	3.1
123.63287	0.9
127.03946	7.5
130.00597	2.8
131.08606	3.3
133.06552	1.4
133.10139	5.7
135.08049	1.6
135.11723	4.5
137.06030	1.1
137.09650	3.9
137.13310	1.7
138.08965	1.3
139.07422	1.0
139.98991	41.7
140.03426	11.5
140.07027	1.1
143.08563	1.5
145.05023	1.1
145.10158	2.4
147.08084	4.5
147.11694	10.3
149.09630	51.7
151.07600	2.6
151.14781	1.0
153.01852	1.2
156.09399	3.5
158.00050	100.0
159.08131	3.1
161.09677	2.3
161.13272	10.7
162.09248	2.7
163.11189	2.8
165.12790	3.9
171.11757	3.7
174.10464	4.3
180.10266	1.4
181.08452	2.8
189.12753	33.3
189.14394	1.7
191.14397	2.1
196.17294	1.1
200.01178	2.2
207.13817	63.7
208.09804	4.0
212.07195	1.8
236.16228	22.3
237.10229	1.7
239.11922	1.9
248.12709	4.2
251.12030	1.8
263.11899	2.3
266.02283	3.5
266.13586	7.2
267.11411	1.2
279.15881	1.9
284.03177	6.3
287.10327	6.4
298.13193	2.2
302.04266	43.2
313.09085	2.8
320.05334	22.9
320.08792	1.6
341.15045	1.0
353.11520	3.6
364.20966	40.0
398.21600	3.6
407.08704	1.1
428.19351	1.5
476.18509	1.3
494.19226	4.7
523.06207	1.0
526.26404	44.3
526.34369	2.2
527.24994	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	525.2338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26448	1.3
53.03946	2.8
55.05503	6.3
56.96568	2.0
57.03447	1.9
57.07062	1.8
59.43029	1.3
65.03926	1.3
67.05508	14.1
68.97159	1.5
69.03432	11.6
69.07077	9.8
71.04995	2.6
71.61212	1.9
79.01866	1.7
79.05484	5.1
81.03429	10.4
81.07059	20.0
82.06496	1.6
83.04983	7.5
83.08624	5.2
85.02905	7.6
85.06528	6.1
91.05502	6.9
93.07042	8.2
95.04969	3.4
95.08603	24.0
97.02904	8.9
97.06550	2.8
97.10179	1.8
98.97612	1.8
99.04440	2.6
99.08087	3.7
105.07021	8.5
107.04970	2.2
107.08604	13.6
109.02872	7.3
109.06503	7.0
109.10163	50.6
110.10517	2.0
110.57413	1.5
111.08063	3.9
115.05449	1.8
117.06974	1.7
119.08592	17.0
121.02847	3.7
121.06521	2.2
121.10146	10.4
123.08047	6.7
123.11728	6.6
124.07563	4.2
124.11250	2.6
125.02328	3.8
125.07972	1.6
127.03922	51.0
129.07085	2.2
131.04944	3.1
131.08572	2.7
133.06436	1.5
133.10173	9.8
135.11703	36.2
137.05968	4.1
137.09596	9.7
137.13243	1.8
138.09950	2.2
139.11227	2.6
143.03412	5.8
143.08589	1.5
145.05037	2.7
145.10138	2.2
147.04404	4.3
147.08037	2.6
147.11670	2.4
149.06029	1.5
149.13258	5.5
151.07570	1.4
151.11229	3.4
151.14815	5.1
153.01839	100.0
153.02852	3.7
154.02199	1.4
159.08092	1.4
159.11639	1.6
161.09547	2.3
163.03909	2.4
163.07555	2.0
163.11171	1.7
164.81387	1.4
165.09171	5.3
165.16393	2.6
166.09439	2.9
167.07114	1.9
171.02882	9.5
173.09592	1.9
173.13306	2.8
175.14815	16.3
180.74089	1.6
183.08069	2.2
191.07030	2.6
191.14366	1.5
193.12186	2.1
193.15901	26.3
211.16939	40.6
221.11276	1.6
241.06563	1.5
291.26788	2.8
297.05942	4.4
309.27933	3.7
310.13739	2.8
315.06992	6.9
328.20148	1.4
338.16025	1.5
345.30005	1.4
353.11209	2.0
381.11841	1.6
381.63144	1.4
493.17871	3.9
494.19040	3.0
507.32983	1.6
525.22717	41.9
525.33960	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	525.2317
Annotation	Javanicolide C
Peak:m/z	Relative Intensity
65.03935	0.6
67.04733	0.5
67.05510	0.6
69.03451	1.1
70.06595	1.1
71.03506	0.9
71.03843	1.3
78.94859	0.6
79.05496	0.7
81.03427	1.6
81.07088	1.3
85.02901	1.2
91.05500	1.3
97.02880	0.6
98.97575	1.0
103.05455	0.9
105.07059	1.4
107.08617	1.1
109.02880	1.0
114.86404	0.7
117.46144	0.7
119.56213	0.7
121.10077	1.0
123.08112	0.8
124.11245	3.3
127.03921	2.7
131.04993	0.8
133.06526	2.6
137.05978	6.5
147.04420	1.3
153.01826	3.2
163.07555	1.6
165.12729	0.9
177.05550	0.7
177.09259	0.9
190.67349	0.7
191.14142	0.9
206.04478	0.8
209.15450	1.1
340.01337	0.7
525.23120	100.0
526.23706	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2332
Annotation	Mascaroside
Peak:m/z	Relative Intensity
53.03924	7.1
54.98584	2.5
55.05497	7.5
58.27921	3.3
67.05519	15.4
69.03426	15.2
69.07066	14.3
69.87122	15.8
71.04979	6.9
77.33009	2.4
79.05489	6.1
81.03391	9.2
81.07057	27.3
83.04965	7.7
83.08597	6.4
85.02896	15.1
85.06528	6.1
86.09667	3.1
88.55265	2.8
90.82085	2.5
91.05450	13.0
93.07067	14.0
95.04947	6.8
95.08607	28.8
97.02868	15.4
98.20790	4.2
98.97566	3.4
99.08062	8.1
103.05442	4.8
105.07008	8.7
107.08611	19.1
109.02818	8.5
109.06493	7.4
109.10152	51.1
110.27953	2.6
111.08073	3.1
119.08582	17.8
120.08063	3.7
121.02846	5.3
121.06498	4.5
121.10163	13.2
123.08010	9.3
123.11702	8.9
125.05976	4.3
125.09595	4.4
127.03930	23.6
131.04869	8.5
133.10152	13.9
135.08063	3.2
135.11700	53.6
137.05923	8.0
137.09601	9.6
139.11234	4.3
143.03357	3.7
143.08484	4.2
145.04922	6.5
145.10117	6.2
147.04359	12.2
147.07996	4.5
147.11646	5.4
149.09561	3.2
149.13225	8.1
151.11159	4.1
151.14787	5.3
153.01823	71.0
153.12761	4.5
161.09534	3.9
167.07060	17.9
171.02831	6.2
175.14775	17.9
177.05379	4.6
193.15884	23.5
207.13835	4.2
211.16891	25.7
269.09567	4.2
297.12018	3.5
309.27792	3.5
315.06998	5.8
327.28925	3.0
379.38586	2.9
393.18536	5.4
525.14417	5.7
525.22784	100.0
525.31519	5.2
526.22998	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	525.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
55.01869	0.8
56.96560	2.3
57.03422	1.6
58.99851	1.7
61.02911	2.1
62.29608	0.5
68.98279	0.9
69.03434	7.9
70.03763	0.6
70.99849	0.5
71.59962	1.0
73.02899	0.7
74.94669	0.5
77.00912	0.9
81.03417	3.4
81.03819	0.7
84.96024	0.6
85.02420	1.0
85.02907	14.2
86.03231	0.9
86.99329	0.7
87.04457	1.4
91.03967	0.7
97.02895	11.7
98.03182	0.6
98.97595	4.9
99.04453	1.3
101.00881	6.2
105.00363	0.6
109.02878	3.7
110.97562	1.2
113.00874	3.3
115.02433	1.4
116.98597	1.1
119.01913	6.6
125.02367	0.7
127.02402	2.2
127.03935	3.7
128.98633	0.7
131.01913	6.5
133.03482	0.9
136.06157	0.7
139.02386	1.9
143.00172	0.8
143.01889	1.9
143.03381	0.5
144.02682	0.7
145.03456	10.0
145.04900	2.2
153.01828	18.7
153.02802	0.8
155.01909	7.7
156.02603	0.5
157.03450	5.6
158.99637	1.0
161.01274	0.9
161.02930	1.3
167.01917	3.5
168.02692	0.8
169.03502	1.2
170.99738	0.7
171.01268	0.5
173.02969	7.7
174.98906	1.5
177.00677	0.6
179.02122	0.6
181.03450	1.5
183.01357	1.2
183.03023	0.5
185.02971	12.7
191.02103	0.6
192.04691	0.5
192.99809	3.0
193.03368	0.6
195.01291	0.5
195.05052	1.0
199.04526	1.5
201.00671	0.8
201.02385	0.8
203.04010	4.2
205.03537	0.7
207.01297	0.6
207.05087	1.1
209.02995	4.2
211.00885	34.9
211.04420	1.7
212.01266	0.8
217.03575	1.0
219.01735	2.6
221.03099	1.0
221.05003	2.5
223.04520	2.2
225.02368	0.8
226.98656	0.7
227.04057	3.3
229.01929	14.1
235.00879	6.5
235.04535	2.5
237.02652	5.3
239.04062	2.2
241.05525	1.0
244.99678	1.8
245.02928	1.2
247.00786	2.4
247.02992	19.6
247.05429	1.0
249.02509	1.9
251.04114	1.6
253.01949	7.6
253.05608	1.1
255.03586	1.8
259.00992	0.8
261.02512	2.5
263.00980	1.0
263.04044	4.1
265.01947	2.1
267.03455	3.3
269.05154	0.6
271.03024	17.0
273.04510	0.7
275.04147	0.6
276.33533	0.5
277.01764	2.6
279.03403	3.8
283.03146	0.7
283.06537	1.3
285.04544	4.5
289.01395	3.0
289.04486	1.1
295.03009	7.9
297.04538	4.9
301.01508	0.9
307.02997	16.7
309.04593	1.0
311.06082	6.7
313.04062	4.1
315.05630	1.9
319.03220	0.9
325.04065	4.1
337.04004	8.0
343.05124	1.3
345.00949	0.7
355.05103	100.0
356.05331	2.4
373.06183	35.4
374.06192	0.8
385.04297	0.8
396.07706	2.2
403.05466	0.9
423.04074	0.7
554.05341	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0106
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	6.4
60.18872	0.8
68.57171	0.8
71.60463	1.2
98.97586	78.8
116.98627	42.1
134.99657	16.6
135.87189	0.8
137.12444	0.8
216.98906	2.4
222.97852	0.9
235.00011	5.9
240.98712	8.9
241.00644	0.7
250.97743	0.9
253.01079	1.2
256.96796	1.4
258.99832	93.1
260.00052	2.7
261.03140	3.1
263.02539	0.9
264.99026	1.3
274.97705	6.1
275.97855	1.7
277.00870	76.8
278.01001	3.9
279.01160	1.5
282.01334	2.0
282.99991	27.0
284.00128	2.6
285.00009	1.4
292.98907	2.0
295.02048	1.3
298.98026	4.3
299.98193	1.2
300.02530	1.9
301.01071	26.1
302.01337	2.0
303.01135	1.3
314.95566	1.0
316.99017	6.7
317.99075	2.4
340.98859	1.6
359.00104	12.0
360.00479	1.1
364.99399	2.6
382.99951	27.6
384.00247	1.7
401.01065	100.0
402.01273	5.8
419.02335	8.9
424.02765	3.8
425.01425	2.2
440.99133	2.8
441.99255	2.3
443.02768	5.8
458.99893	2.5
460.00159	1.8
507.00092	6.4
525.01282	55.2
526.01575	5.4
542.99109	3.4
548.03003	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05506	1.1
56.05037	1.1
57.03431	0.9
57.07082	3.3
57.39196	0.4
58.06610	1.3
60.07867	0.9
60.08166	17.9
67.05498	1.3
69.07105	0.5
70.16422	2.1
70.98660	0.4
71.07373	6.9
71.08639	2.2
72.85881	0.5
79.05504	0.6
81.03429	0.8
81.07056	1.6
83.08579	0.9
85.10184	1.3
86.09708	52.0
90.01026	0.5
93.07052	0.7
95.08038	0.5
95.08612	1.9
98.98460	4.0
103.06516	0.5
104.10746	100.0
125.00007	29.3
130.75986	0.4
163.01535	0.5
184.07347	94.4
193.12227	0.8
258.11017	1.2
270.20078	0.5
327.83835	0.5
341.30554	1.5
370.81879	0.5
489.66156	0.6
506.28894	0.3
506.35895	9.3
524.37091	31.3
525.36444	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93166	1.5
53.03934	1.9
55.05515	16.0
57.03428	6.0
57.06813	2.9
57.07076	36.4
60.08118	1.6
67.05508	28.3
69.03402	2.7
69.07068	12.8
71.05002	2.6
71.08634	26.0
79.05508	16.6
81.03419	35.6
81.07060	32.3
81.31300	1.8
83.04977	6.8
83.08624	25.1
84.68810	1.7
85.02908	19.7
85.06535	2.7
85.10176	15.1
88.82298	1.9
90.37916	1.5
91.05492	19.7
93.07051	11.4
95.04970	16.3
95.08608	28.5
97.02929	2.4
97.06516	2.5
97.10198	8.5
98.20773	4.4
105.07024	14.6
107.04977	3.8
107.08590	5.8
109.06532	3.3
109.10151	12.3
111.08087	7.9
113.06011	3.6
115.76826	1.6
117.06997	2.1
119.08573	12.1
121.10169	7.8
123.11696	6.1
129.07057	6.4
131.08588	5.4
133.10153	6.2
137.09641	1.9
137.13315	2.5
147.11699	9.7
149.09633	5.1
151.14763	2.1
156.11333	1.6
157.10153	8.9
165.12726	2.3
175.11217	10.9
193.12253	40.7
211.13297	49.1
211.15227	3.0
213.92723	1.7
227.24655	1.7
239.23763	5.9
267.15936	4.0
313.27490	4.8
398.42587	2.0
523.40002	100.0
524.40350	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	0.9
51.05548	0.8
53.03942	2.7
53.26545	0.8
55.01862	1.8
55.05513	15.2
57.03437	7.6
57.07079	47.7
67.05161	2.0
67.05506	30.4
68.13924	1.0
69.03426	2.5
69.07064	10.4
70.80428	0.9
71.04992	4.4
71.08634	28.8
71.72740	1.0
73.95218	1.0
79.05499	16.4
81.03420	48.5
81.07060	35.6
83.04973	6.9
83.08621	25.9
85.02908	21.3
85.06545	1.6
85.10183	17.6
91.05484	18.5
93.07042	13.5
95.04974	18.4
95.08611	34.7
97.02882	3.3
97.06546	1.9
97.10178	8.2
98.20674	1.9
99.11823	1.0
102.03952	1.0
105.07038	19.2
107.04955	3.5
107.08602	4.3
109.06521	2.7
109.10161	13.9
111.04466	2.1
111.08080	9.1
111.11706	1.4
113.06026	2.1
117.06998	1.4
119.08591	12.5
121.10140	7.3
123.08092	1.6
123.11717	7.1
125.09602	1.1
125.13226	0.9
129.07008	7.1
131.08583	5.4
133.06526	1.9
133.10164	4.8
137.13252	3.2
142.07780	2.0
145.10124	1.6
147.07999	1.7
147.11693	11.3
149.09642	4.0
154.94258	1.3
157.10127	8.4
165.12761	1.1
167.56898	1.0
175.11189	10.2
180.58759	1.2
193.12257	47.8
211.13301	50.6
224.71786	1.0
229.34958	1.2
239.23718	8.0
267.15942	6.0
267.80878	1.0
276.97446	1.2
313.27176	4.8
357.06122	1.0
505.38956	3.1
523.39996	100.0
524.40265	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	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
53.10950	0.9
53.97385	0.9
54.07924	0.9
55.01875	2.8
55.05517	16.0
57.03446	6.7
57.07077	41.9
59.04985	1.4
65.03938	2.1
67.05508	30.3
69.03431	2.7
69.07069	13.2
69.95799	4.5
69.96190	2.3
71.04988	2.9
71.08631	31.4
78.19749	1.0
79.05497	15.0
81.03417	41.7
81.07056	35.2
83.04980	6.5
83.08624	27.0
85.02904	21.3
85.10186	14.9
88.96014	1.1
91.05488	22.7
93.07047	13.3
95.04973	16.4
95.08610	30.4
97.02879	1.9
97.06538	2.9
97.10168	7.9
99.08080	1.2
105.07039	15.3
107.04982	3.1
107.08598	4.9
109.06519	3.1
109.10163	14.6
111.04424	1.5
111.08077	8.2
111.11724	1.2
113.06049	2.5
117.07008	1.4
119.08585	14.2
121.10168	7.4
123.11688	6.3
129.06995	6.5
131.08586	8.5
133.06496	2.2
133.10155	5.3
137.13278	1.2
142.07770	1.3
147.08113	1.6
147.11690	10.7
149.09648	4.6
151.14827	1.3
157.10126	9.8
172.95248	1.7
175.11177	10.8
193.12238	42.9
211.13292	52.1
239.23735	5.9
249.14983	1.5
267.15930	6.7
303.76480	1.1
313.27295	6.9
389.67285	1.4
505.38712	3.1
517.88129	1.1
523.40009	100.0
524.40442	2.3
535.56152	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	19.9
57.03436	28.8
57.07083	54.8
59.96044	5.9
67.05510	49.8
69.07075	15.4
69.60569	13.4
69.60983	37.0
71.05006	6.8
71.08637	36.7
79.05490	29.3
81.03424	100.0
81.07056	50.4
83.08622	36.9
85.02927	6.6
85.10184	27.4
86.09687	6.9
91.05487	25.1
93.07037	16.6
95.04976	35.0
95.08624	44.2
97.10181	12.3
98.21550	11.5
100.57741	5.8
104.10745	15.1
105.07046	31.6
107.08617	12.7
109.10162	23.9
111.08088	17.2
119.08582	17.1
120.60230	6.0
123.11714	10.6
124.99937	7.0
128.58939	6.9
129.07014	9.1
131.08572	14.2
133.10149	17.1
147.08046	6.0
147.11687	13.6
157.10141	10.1
175.11183	9.9
184.07288	13.2
193.12247	63.0
211.13336	36.9
239.23729	13.6
267.15912	83.5
313.27386	79.2
401.69055	6.2
505.39020	50.0
506.38712	6.6
523.32855	8.2
523.40143	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.218
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70396	1.7
54.70662	1.7
55.05508	3.4
64.34415	1.6
67.05524	2.6
69.03425	11.0
69.07058	2.7
70.06232	3.3
70.06591	41.3
71.04975	2.3
71.21779	2.6
74.06059	3.3
79.01840	4.4
79.05481	3.9
81.03425	13.1
81.07044	4.8
83.04990	3.5
85.02879	3.0
86.09698	5.6
88.97919	2.1
91.05473	7.3
93.07043	2.0
95.04942	6.3
95.08582	3.4
97.02880	7.0
105.07011	3.3
107.08579	8.4
109.02875	4.4
109.06499	6.0
109.10152	4.4
111.40562	1.9
116.69977	1.9
119.08581	3.6
120.08106	11.7
121.06525	2.3
121.10109	10.2
123.08060	5.0
123.11698	2.4
124.11229	6.8
125.02333	3.0
127.03890	7.8
127.08675	7.4
133.10124	7.8
136.07535	2.0
137.02315	3.8
137.05966	4.0
137.09610	13.2
141.06525	2.9
143.03381	3.0
145.10100	2.2
147.04402	2.4
149.09610	6.7
149.13243	6.2
151.03873	4.6
151.11188	9.5
153.01830	85.8
153.02890	3.5
165.12766	36.5
171.02855	6.0
191.14275	9.3
193.15900	3.3
209.15366	100.0
221.12796	5.7
229.15483	16.3
277.94202	1.9
286.17590	2.5
297.06009	5.1
315.07147	5.1
350.75311	1.9
479.08490	2.1
523.21271	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2175
Annotation	Macarangioside E
Peak:m/z	Relative Intensity
55.05503	3.4
57.03466	1.9
67.05527	3.1
69.03420	7.2
69.64566	11.7
70.06586	4.8
74.14658	1.8
79.05491	6.1
79.59450	2.1
79.83557	2.1
81.03417	4.7
81.07056	8.1
81.95956	1.9
85.02930	2.6
91.05521	5.0
93.07069	2.5
97.02903	5.8
105.07028	9.5
107.04964	2.7
107.08595	20.1
109.02869	5.3
109.06518	4.9
109.10175	6.8
116.75261	1.8
119.08576	3.7
121.10159	11.1
122.07304	5.2
125.02473	2.7
127.03905	7.5
131.08553	2.8
133.10133	99.9
135.08066	7.6
137.09622	55.0
143.03348	3.4
147.11673	3.1
149.13298	8.0
153.01837	100.0
153.02879	3.9
171.02916	17.4
173.13329	4.9
191.14313	55.7
209.15411	2.1
233.03885	2.3
243.12189	2.0
278.28790	2.0
297.06079	8.3
315.07080	13.4
320.69943	2.0
378.61722	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	522.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.5
56.05036	0.4
57.07082	0.3
58.06606	0.4
59.07391	0.2
60.08166	5.8
67.05516	0.6
69.07069	0.7
69.82288	1.4
71.07376	3.0
79.05490	0.4
81.07072	0.5
83.08636	0.3
86.09708	32.0
91.05434	0.3
93.07037	0.4
94.50874	0.2
95.08600	0.4
97.10168	0.3
98.21465	0.3
98.98463	3.2
104.10740	2.8
105.07036	0.6
107.08586	0.4
125.00008	21.2
153.03130	0.2
184.07346	100.0
185.07646	0.4
339.29105	0.3
504.34515	1.2
522.35498	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3558
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05499	1.7
56.05030	1.2
57.03419	0.4
57.07068	0.9
58.06604	1.7
60.08163	18.1
67.05499	1.5
69.07066	2.2
69.87346	0.4
69.93748	1.4
69.94161	0.7
71.07378	7.4
71.08665	0.4
75.04414	0.4
76.84013	0.5
79.05470	0.9
81.07046	1.8
83.08610	1.9
86.09705	51.8
93.07047	0.9
95.08595	1.5
97.10146	0.4
98.21513	0.5
98.98479	4.3
104.10744	100.0
104.96365	0.5
105.07027	0.6
107.08607	0.9
109.01312	0.4
109.10123	0.8
121.10124	0.8
125.00007	28.1
125.21000	0.5
126.80587	0.4
133.01677	0.4
136.94783	0.4
163.01537	0.8
184.07341	99.7
187.29558	0.5
238.73611	0.4
245.41461	0.4
246.76773	0.4
252.89452	0.4
258.11008	1.1
266.43973	0.5
273.02792	0.4
339.28964	1.2
445.26877	0.6
504.34515	8.4
522.35547	28.9
523.35687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.2914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.9
55.01865	2.0
55.05516	3.3
56.96569	1.5
57.03436	12.7
59.04990	4.9
61.02547	1.2
61.02925	3.0
67.05487	4.3
69.03072	2.3
69.03436	42.5
69.07073	6.6
71.01333	1.3
71.04993	3.2
73.02905	4.7
79.05477	3.8
81.03400	3.8
81.07056	9.4
83.04964	2.7
83.08614	5.9
85.02418	1.9
85.02908	36.3
87.04470	22.7
88.48969	1.2
91.05488	4.5
93.07049	9.1
95.04957	3.8
95.08595	8.8
97.02898	39.5
97.06547	16.7
98.97583	2.4
99.04475	2.5
99.08112	1.4
102.80458	1.4
105.07028	6.6
106.24262	1.4
107.05017	1.4
107.08633	9.3
109.02876	2.6
109.06524	13.2
109.10169	7.4
111.08066	2.5
111.11766	1.6
115.03938	42.7
115.07551	3.0
119.04927	1.8
119.08578	10.9
119.52348	1.1
121.10169	4.5
121.88134	1.2
123.08094	9.2
123.11716	6.4
124.11170	2.5
125.09611	1.6
127.03913	7.9
133.03978	2.6
133.04976	41.8
133.09210	2.1
133.10136	25.4
135.08078	1.8
135.11713	18.9
137.05913	2.1
137.09595	7.4
145.04932	5.6
145.10078	1.6
147.04349	2.8
147.11636	3.0
149.13257	14.0
152.07091	2.0
153.01820	5.6
153.12753	1.7
154.08652	1.5
158.63477	1.2
160.97331	3.1
161.09579	1.2
165.16330	1.2
175.14847	33.6
188.96875	1.3
191.14224	2.0
192.99982	2.0
193.15900	57.9
209.15489	1.5
211.16946	100.0
241.07051	2.9
249.24243	1.4
257.89728	1.2
258.00076	8.0
259.08197	2.8
277.09171	2.2
295.10141	3.4
360.06845	4.7
490.13678	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2366
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93651	1.4
55.05478	5.4
56.96565	13.7
60.86342	1.6
65.36075	1.5
67.05478	5.0
69.03413	2.4
69.07045	4.7
71.04960	2.0
71.61423	2.5
79.05457	3.5
81.03416	3.4
81.07067	8.2
83.04938	3.6
83.08620	2.3
84.96002	6.8
85.02873	4.6
85.06509	1.7
91.05460	4.3
93.06998	4.8
95.04921	2.6
95.08575	5.0
95.46119	1.4
97.02855	2.9
98.97587	42.1
100.07541	1.8
100.11218	6.2
105.06996	7.2
107.04942	2.6
107.08564	7.0
109.06476	2.7
109.10129	5.3
110.97575	9.3
110.98252	1.8
111.04404	3.3
116.98612	17.1
119.08574	8.9
121.10087	3.1
124.11238	9.4
125.09658	1.8
128.98615	10.5
131.00116	1.9
131.04855	2.2
131.08566	2.1
133.10091	4.7
134.99599	3.7
135.11647	5.4
137.05914	5.3
140.98474	2.1
143.00165	3.8
143.08398	1.7
144.98033	4.0
145.10030	2.7
146.99648	3.8
147.04375	1.9
147.11670	2.4
149.02316	9.9
151.11121	3.3
152.98543	3.3
153.01784	1.8
158.99672	8.3
161.01138	3.6
162.99112	1.8
168.13754	4.8
170.99596	4.4
173.01108	1.7
175.07565	3.5
177.00659	6.2
178.04959	4.2
179.05231	2.4
182.15436	4.6
193.15923	1.9
196.13252	2.5
196.98656	1.9
201.00630	3.1
206.04359	6.2
207.04759	3.8
208.04834	1.6
210.14893	7.7
211.11223	2.0
219.01772	14.9
226.72470	1.8
237.02827	19.7
257.14310	2.2
261.11655	2.7
279.03995	2.1
312.26071	1.9
316.68347	1.6
339.65891	1.9
359.17178	17.1
359.21744	12.0
377.18433	9.7
461.20227	2.4
503.30222	2.2
521.22705	100.0
521.39594	8.4
522.22870	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	522.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01855	0.3
63.04036	0.3
65.03927	0.7
67.05502	1.2
69.07055	0.3
69.32594	2.2
79.05110	0.3
79.05492	3.2
80.04989	1.0
81.03416	0.5
81.05781	0.6
81.07046	0.7
82.06577	1.5
89.03930	0.2
91.05471	2.3
93.05760	1.0
93.06534	0.3
93.07044	4.5
94.06570	6.5
95.04967	0.6
95.07353	5.8
95.08591	0.5
96.08128	12.3
96.21014	0.2
97.06493	0.9
103.05441	1.0
105.04546	0.4
105.05766	0.5
105.07021	0.3
106.06510	1.1
107.07342	0.5
108.08121	12.5
109.08860	1.0
110.05988	0.4
110.09682	18.7
116.04973	1.6
117.05735	0.5
118.06548	1.2
119.66262	0.3
120.04476	1.9
120.08108	13.6
122.06026	4.4
122.09634	0.7
123.06783	0.6
124.07599	3.6
124.11210	0.5
130.06578	0.3
132.04387	0.3
132.08099	1.2
134.05994	1.1
135.06796	0.5
136.07576	12.8
138.05495	0.8
138.09137	21.6
144.04428	2.8
144.08075	0.7
145.08815	0.2
146.06023	1.8
146.09663	2.1
148.07564	4.6
150.05406	0.3
150.09152	9.2
152.07072	9.9
153.07339	0.3
154.08643	0.5
160.03886	0.6
160.07568	2.6
162.05522	1.3
162.09119	1.0
164.07079	6.7
166.08640	25.7
167.08878	0.3
172.03928	13.0
174.05481	0.5
174.09137	0.6
176.07025	0.5
180.08061	0.4
181.08884	0.4
182.08127	4.7
182.09637	0.7
183.09100	0.5
184.09966	0.5
185.10738	0.3
188.03358	0.4
190.04974	2.6
192.06584	0.4
192.10211	1.1
193.07558	0.3
195.09062	0.3
196.09900	0.7
197.08731	0.2
197.10641	1.3
198.11526	1.9
199.12279	1.1
200.07083	0.4
202.04962	0.3
204.06561	43.8
205.06946	1.0
205.08789	0.3
206.08182	0.7
207.09158	0.8
208.09853	0.7
209.10718	2.5
210.11459	2.1
211.08736	0.4
211.12299	4.1
212.09308	0.4
212.13060	0.7
213.10164	0.5
218.08125	0.3
219.09203	0.5
220.09804	1.5
221.07184	0.4
221.10699	2.6
222.07759	0.4
222.11432	2.8
223.08731	1.6
223.12263	4.4
224.09496	0.8
224.13057	0.7
225.10228	3.0
225.13791	0.7
226.11031	1.1
227.11839	1.9
229.13341	0.3
232.09795	0.3
233.10825	0.3
234.11513	0.7
235.08656	5.1
235.12311	3.3
236.09425	3.0
236.12990	1.2
237.10210	8.6
237.13818	3.0
238.10988	4.3
238.14630	0.3
239.09320	0.5
239.11781	8.4
240.12498	0.7
241.09749	0.4
241.13359	0.4
242.10696	0.3
243.11401	0.3
244.38033	0.3
247.08606	0.9
247.12276	0.7
248.09409	7.4
248.13072	0.3
249.10214	19.6
250.11008	11.3
251.08179	1.7
251.11800	13.3
252.09215	0.4
252.09717	0.5
252.12506	3.6
253.09593	1.3
253.13377	3.0
254.10510	0.5
255.11337	1.7
256.12088	1.0
257.12842	0.9
261.10172	0.8
262.11102	1.4
263.11789	41.6
264.08994	2.0
264.12546	10.8
265.09750	5.2
265.13336	16.0
266.10492	2.7
266.13760	0.6
267.11264	5.7
268.11951	0.4
269.12811	1.8
271.11017	0.5
271.14413	0.4
275.11731	1.8
276.08795	1.6
277.09702	4.7
277.13043	0.4
278.10468	5.6
279.11276	22.0
280.11978	1.3
281.09708	0.6
281.12845	11.0
282.10001	2.2
282.13248	0.5
283.10776	3.3
283.14346	0.9
284.11429	1.0
285.12326	2.7
289.09583	0.5
289.15710	0.4
290.10419	0.7
291.11276	29.3
292.12039	6.5
293.12839	24.1
294.10010	0.7
294.13199	0.7
295.10791	4.4
295.14145	0.5
296.08789	0.3
296.11710	1.9
297.12329	16.2
298.12988	0.8
299.14102	1.2
301.12128	0.3
304.08359	1.7
305.09180	0.5
307.10733	2.4
307.14224	0.4
308.11356	0.3
309.12320	30.0
310.12973	1.2
311.13867	2.3
313.11874	0.5
314.16519	0.3
315.13693	0.3
316.14365	0.6
317.15054	0.3
319.10757	22.5
320.10944	0.3
321.12439	0.8
323.10242	2.9
323.13947	2.6
324.10953	0.7
325.11838	22.1
325.15302	1.2
327.13437	2.4
328.14465	0.4
329.15140	0.7
330.16028	0.3
331.13113	0.3
337.11813	100.0
338.12173	2.1
339.13623	1.4
341.11362	3.6
341.15051	0.3
342.16107	0.8
343.13168	0.4
344.13965	0.4
344.17590	0.4
351.13391	3.2
353.15350	0.3
355.12878	7.7
356.13690	1.7
356.17581	0.4
357.14462	12.4
358.15149	0.6
362.18793	0.5
365.14859	0.4
365.94434	0.3
369.14456	22.2
370.15216	1.2
373.13849	2.7
376.20203	0.5
380.19702	0.8
386.18716	0.4
390.17761	0.4
400.16135	0.3
402.17899	0.6
404.19705	0.9
416.20160	0.4
418.21564	1.2
420.19208	0.7
422.20786	0.5
428.19830	0.5
430.17566	1.6
432.19424	0.4
434.20493	0.4
444.18863	1.8
446.20813	4.9
448.18814	3.5
449.19153	0.4
450.20279	1.3
454.17297	0.4
462.20215	9.8
472.18713	6.3
476.22229	0.4
478.23517	0.4
480.21240	0.5
490.19724	36.6
491.20154	1.5
494.22787	1.4
504.21338	1.4
522.22321	22.7
523.22742	1.0
540.55212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.5
53.03948	2.6
55.01868	0.6
55.05508	1.4
57.92644	0.5
58.72207	0.4
59.47027	0.4
63.41993	0.4
63.80086	0.4
65.03940	0.6
67.05497	0.7
69.03432	6.1
69.07060	1.2
69.65915	2.4
77.03960	0.6
79.01848	1.7
79.05495	12.4
81.03406	2.0
81.07060	1.0
83.04990	2.3
85.02890	0.9
91.05483	2.1
93.07055	1.1
95.04963	3.2
95.08591	1.3
97.02890	1.7
103.05473	6.8
105.04501	0.9
105.07030	7.5
107.08585	2.8
109.02871	1.4
109.06539	1.2
109.41164	0.4
117.06985	0.6
119.08579	3.5
121.06512	5.5
121.10129	1.9
123.08068	1.7
124.92158	0.4
125.02348	1.1
126.52438	0.5
127.03883	2.2
128.06277	0.5
131.04935	0.9
131.08562	1.5
133.06493	100.0
133.10132	1.5
134.06847	0.9
135.08073	2.5
137.05989	1.4
141.06992	0.7
143.03410	1.5
143.08540	1.0
145.06586	0.5
145.10124	1.1
147.08081	3.1
147.11700	2.1
149.09641	1.1
153.01833	34.6
153.02808	1.5
155.08481	0.5
158.10948	0.9
160.08797	0.8
161.09656	1.4
161.13284	0.9
163.07530	1.3
163.11197	7.0
171.02943	3.0
171.11763	0.7
173.13298	1.8
174.10388	0.9
189.12747	25.7
191.14305	17.3
207.13803	16.3
209.15425	1.0
210.15761	1.0
268.52579	0.5
297.06125	1.9
315.07153	2.6
315.16260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50475	0.8
53.03936	2.6
55.01888	1.3
61.61834	0.8
69.03442	7.4
71.61046	1.0
71.61414	1.6
79.01833	1.5
79.05109	1.1
79.05496	11.7
81.03424	3.1
81.07059	1.5
83.04965	2.6
85.02895	2.2
91.05473	2.5
93.07035	1.2
95.04970	2.2
97.02924	1.7
103.05492	5.0
105.04473	1.1
105.07034	7.9
107.08587	2.4
109.02849	2.7
112.20165	0.8
115.05492	0.9
119.08585	4.4
121.06520	5.5
121.10177	0.8
123.04449	1.5
125.02417	1.3
127.03900	5.6
129.07022	1.1
131.08577	1.7
133.06496	100.0
133.10109	2.4
135.04453	1.5
135.08052	2.9
137.06018	1.1
143.03389	1.5
143.08591	1.3
145.04858	1.3
147.04434	1.0
147.08052	2.8
147.11739	1.9
149.02310	3.1
149.09645	1.4
151.03915	1.0
151.07544	1.0
153.01830	33.1
153.02881	1.9
156.09335	1.3
161.09592	1.7
163.11182	7.9
171.02902	2.4
173.13309	2.4
174.10327	0.8
189.05432	1.4
189.12755	27.4
191.14301	14.7
207.13817	18.6
241.42097	1.1
270.53418	0.8
297.05896	2.6
315.07031	3.1
341.10236	1.3
345.12299	1.3
404.62415	0.9
404.67670	0.9
521.19421	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
71.20677	28.9
75.42748	14.3
77.17909	15.0
78.30259	12.8
80.46196	13.0
103.58315	14.8
111.19565	14.9
119.01887	20.4
143.63947	15.6
153.01837	52.4
154.02159	26.5
178.04939	43.1
185.33508	14.7
206.04506	67.9
207.04858	52.8
223.06610	42.6
241.79111	16.3
257.56058	14.6
277.03522	27.3
294.77176	16.6
435.18497	16.6
521.02679	100.0
521.14423	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	521.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38091	0.9
53.61591	0.8
67.67173	0.8
69.07103	1.0
69.95459	3.4
70.06581	2.3
81.07066	1.0
94.06550	1.3
95.01320	3.3
109.10146	1.2
122.06033	5.0
124.07577	0.9
124.11229	5.1
125.11565	2.6
127.03870	1.1
130.06543	1.3
131.04935	1.6
140.07062	5.2
142.08617	2.1
144.04454	1.4
146.06017	17.8
153.01851	4.3
154.08725	0.9
158.05994	3.5
160.03947	1.3
170.05975	0.9
172.03928	3.8
173.04672	4.6
174.05487	5.3
184.07524	1.1
186.05472	7.1
188.07121	3.1
189.72527	0.9
190.04922	2.6
191.05759	2.5
198.05472	2.6
199.06241	1.5
200.07059	0.9
204.06544	4.8
206.08124	2.3
210.05566	1.8
212.03464	2.8
212.07074	3.3
214.04988	48.8
226.05061	1.9
228.06544	2.6
230.04489	14.1
232.06102	1.8
238.05008	1.5
240.03023	1.2
240.06549	5.0
242.04532	5.5
244.06070	2.3
254.04495	3.8
256.02432	1.2
256.06113	4.7
266.04416	1.2
268.06015	4.1
270.03961	32.2
272.05518	12.0
274.06961	1.3
282.03967	2.3
284.05496	2.8
286.06970	2.4
302.06528	2.1
304.08127	1.0
312.05029	20.0
313.11853	15.6
330.06070	84.4
331.06329	1.7
344.07816	1.0
345.14383	4.0
348.07135	23.2
362.08716	100.0
363.08926	2.3
368.09726	1.4
380.09784	17.0
459.28412	1.0
489.15054	16.5
490.15109	1.1
521.17413	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	520.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.05033	0.6
57.03431	0.2
58.06638	0.5
59.09680	0.1
60.08166	6.4
67.05503	0.7
69.07063	0.3
69.59698	1.0
70.06577	0.1
70.81226	0.1
71.07376	3.2
79.05500	0.2
80.54472	0.1
81.07058	0.7
86.09706	33.6
91.05485	0.1
94.14126	0.1
95.08640	0.2
98.98464	3.7
104.10745	3.1
109.10168	0.2
125.00006	23.7
184.07341	100.0
185.07722	0.3
200.42552	0.2
224.17670	0.1
258.11023	0.3
337.27515	0.2
426.56436	0.2
502.32758	1.2
520.33984	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	2-linoleoyllysophosphatidylcholine
Peak:m/z	Relative Intensity
54.67174	0.3
55.05503	1.1
56.05025	1.2
58.06584	1.5
59.07415	0.3
60.08167	17.9
67.05505	3.1
69.07066	1.2
71.07372	7.0
71.12668	0.6
79.05487	0.9
81.07056	2.8
83.08627	0.3
86.09708	52.4
91.05499	0.6
92.06120	0.3
93.07052	0.9
95.08616	2.2
98.98467	3.9
104.10748	100.0
105.07050	0.6
105.11064	0.5
107.08599	0.5
109.10153	0.9
119.08607	0.5
125.00010	29.8
135.11710	0.3
137.13354	0.3
163.01543	0.7
181.02618	0.3
184.07346	99.0
185.07840	0.4
195.49149	0.3
258.11124	1.1
318.23059	0.3
337.27414	0.9
355.78241	0.3
458.95886	0.3
502.32928	8.7
520.34039	28.3
521.33881	0.4
546.84985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10548	1.0
55.01868	2.1
57.03433	3.0
57.07061	2.0
61.02941	1.4
64.95912	1.3
67.05499	1.3
69.03430	38.4
69.07059	2.9
69.80458	6.9
70.06590	2.4
71.04997	1.4
73.02926	2.4
79.05504	3.0
81.03423	2.2
81.07055	3.9
83.04980	3.4
83.08632	1.5
85.02892	5.5
85.06508	2.4
91.05488	3.1
93.07050	3.2
95.08614	8.6
96.46436	1.4
97.02896	4.2
97.06532	3.2
99.04431	1.4
105.07027	4.2
107.04939	1.6
107.08595	13.4
109.02905	3.0
109.06521	5.1
109.10138	2.5
111.08083	3.1
115.03967	1.9
119.08560	4.1
121.06513	1.4
121.10142	7.7
123.08045	2.2
123.11705	4.7
124.11228	2.3
125.09640	19.2
126.60483	1.4
127.03927	3.6
131.04938	1.9
131.08591	4.4
133.06488	4.8
133.10130	4.6
135.08041	9.3
135.11716	4.0
137.05984	4.4
137.09686	1.5
143.08627	1.8
145.10085	2.7
147.04419	3.0
149.09622	8.0
149.13226	2.6
151.11166	2.4
153.01816	7.3
153.09116	7.3
154.04984	3.0
158.10814	1.9
161.09665	1.5
162.05530	1.4
163.11116	2.8
163.14799	4.8
165.12758	3.2
167.07118	1.5
168.17049	1.2
173.11916	2.1
173.13280	20.1
177.09082	1.3
178.04913	1.8
189.05135	1.4
189.12692	1.8
191.14313	67.7
206.04509	3.6
207.13811	1.8
209.15370	100.0
210.15587	1.5
237.02821	1.4
332.67978	1.3
446.80173	1.2
520.15576	11.5
520.21210	2.4
520.23328	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	520.2754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10548	1.0
55.01868	2.1
57.03433	3.0
57.07061	2.0
61.02941	1.4
64.95912	1.3
67.05499	1.3
69.03430	38.4
69.07059	2.9
69.80458	6.9
70.06590	2.4
71.04997	1.4
73.02926	2.4
79.05504	3.0
81.03423	2.2
81.07055	3.9
83.04980	3.4
83.08632	1.5
85.02892	5.5
85.06508	2.4
91.05488	3.1
93.07050	3.2
95.08614	8.6
96.46436	1.4
97.02896	4.2
97.06532	3.2
99.04431	1.4
105.07027	4.2
107.04939	1.6
107.08595	13.4
109.02905	3.0
109.06521	5.1
109.10138	2.5
111.08083	3.1
115.03967	1.9
119.08560	4.1
121.06513	1.4
121.10142	7.7
123.08045	2.2
123.11705	4.7
124.11228	2.3
125.09640	19.2
126.60483	1.4
127.03927	3.6
131.04938	1.9
131.08591	4.4
133.06488	4.8
133.10130	4.6
135.08041	9.3
135.11716	4.0
137.05984	4.4
137.09686	1.5
143.08627	1.8
145.10085	2.7
147.04419	3.0
149.09622	8.0
149.13226	2.6
151.11166	2.4
153.01816	7.3
153.09116	7.3
154.04984	3.0
158.10814	1.9
161.09665	1.5
162.05530	1.4
163.11116	2.8
163.14799	4.8
165.12758	3.2
167.07118	1.5
168.17049	1.2
173.11916	2.1
173.13280	20.1
177.09082	1.3
178.04913	1.8
189.05135	1.4
189.12692	1.8
191.14313	67.7
206.04509	3.6
207.13811	1.8
209.15370	100.0
210.15587	1.5
237.02821	1.4
332.67978	1.3
446.80173	1.2
520.15576	11.5
520.21210	2.4
520.23328	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	520.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96771	0.2
51.02395	0.5
52.67075	0.2
53.03952	0.6
54.05976	0.2
55.01867	0.3
61.18069	0.2
68.05338	0.2
69.03448	0.9
71.04993	0.5
71.60824	0.2
79.01849	2.6
80.29926	0.2
81.03418	4.3
85.02905	1.1
97.02901	2.2
99.04444	0.4
107.01322	1.0
109.02873	2.4
125.02361	1.6
127.03945	2.3
132.03441	0.4
132.04451	7.6
143.03392	3.3
145.04959	0.4
153.01831	56.2
153.02870	2.6
154.02159	0.6
160.03860	0.5
171.02876	3.2
178.04996	63.4
179.05304	1.0
206.04486	100.0
207.04819	1.6
217.87607	0.3
297.06042	5.3
315.07071	1.8
368.09628	1.1
520.10522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.109
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	0.5
53.03966	0.5
53.39716	0.4
59.63366	0.3
63.44233	0.3
65.69448	0.3
69.03437	1.2
70.40826	1.2
79.01856	2.2
81.03419	4.5
85.02924	1.2
87.04440	0.3
89.06099	0.4
93.16386	0.3
97.02907	2.0
98.21437	0.3
99.04442	0.5
103.03951	0.4
107.01373	0.5
109.02879	2.5
125.02384	2.0
127.03924	2.5
132.04453	8.4
143.03374	3.9
145.04936	0.7
153.01834	57.0
153.02873	2.9
154.02249	0.4
160.03947	0.5
171.02904	2.8
178.04997	62.8
179.05363	0.8
206.04488	100.0
207.04811	1.1
214.42918	0.3
297.06036	5.9
315.07101	1.8
358.16458	0.6
368.09854	0.9
374.50107	0.3
401.07840	0.4
459.58432	0.4
520.10571	1.5
520.21283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.3317
Annotation	Bartogenic acid
Peak:m/z	Relative Intensity
53.03941	2.9
55.05510	4.6
55.83459	1.5
67.01862	2.9
67.05503	10.4
69.03421	4.2
69.07066	5.6
73.04753	2.4
79.05502	8.7
79.89137	1.4
80.10037	1.4
81.03399	2.9
81.07067	15.1
83.04994	4.0
83.08604	1.7
91.05461	14.7
93.07041	14.5
95.04969	9.3
95.08604	14.3
97.02878	2.2
97.06522	3.8
103.05471	3.9
105.07032	29.8
107.08597	18.0
109.02915	2.8
109.06532	3.1
109.10181	7.2
111.04472	1.8
111.08107	2.3
113.09619	1.7
117.07014	5.7
119.08589	34.7
120.08046	1.8
121.06512	5.5
121.10146	12.6
123.08067	3.6
123.11744	2.9
124.11218	4.4
125.09652	2.5
127.03922	28.0
127.11164	1.7
128.06218	2.3
129.07033	6.4
130.07805	2.1
131.04915	7.1
131.08583	15.9
133.10118	17.2
135.08066	6.6
135.11708	4.9
136.07635	3.4
137.06000	3.7
137.09637	2.8
142.07777	4.6
142.64372	1.6
143.08585	13.2
145.10118	18.3
147.04453	2.8
147.08054	18.1
147.11668	9.2
149.09685	4.4
149.13210	3.9
155.08504	3.9
156.09363	4.0
157.10139	9.9
158.10895	1.9
159.08061	3.6
159.11697	16.6
161.05975	2.2
161.09650	5.7
161.13239	7.5
163.11177	3.3
163.14812	2.3
167.05594	1.9
168.09396	2.1
169.10152	4.7
171.08017	2.7
171.11697	16.8
173.09607	5.1
173.13261	13.5
175.07655	5.5
175.11186	2.6
175.14874	9.6
177.12842	2.5
183.11711	5.9
185.09637	3.8
185.13303	7.0
187.11172	4.5
187.14905	6.3
189.12836	7.7
189.16415	7.0
191.14296	3.3
195.11780	3.7
197.13394	3.8
199.11237	6.5
199.14905	5.1
201.12810	3.4
201.16460	3.3
203.14314	4.9
207.13725	2.0
209.13330	3.9
211.11182	2.3
211.14952	2.0
213.12839	4.8
213.16486	2.7
215.14377	4.2
215.18044	2.0
217.12247	3.7
217.15869	3.0
219.13875	1.7
223.14822	3.1
225.16422	3.0
227.17915	1.9
229.12248	4.0
231.13837	10.0
243.17447	2.8
247.13281	3.7
249.14673	2.3
251.11955	2.2
263.11874	2.5
275.17941	2.1
279.11371	1.8
289.18063	3.0
299.06296	2.8
355.13214	2.0
371.27313	1.9
383.26193	2.2
389.28806	2.0
401.28302	2.2
407.29919	2.6
419.29712	4.5
435.29025	8.1
437.30725	5.9
447.29007	5.1
453.30045	20.2
465.30035	30.3
483.31131	64.2
484.31073	2.7
487.17374	2.5
501.32257	35.6
519.33270	100.0
520.21045	8.6
520.33673	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	519.3318
Annotation	Presenegenin
Peak:m/z	Relative Intensity
55.05507	4.0
67.05518	6.3
69.03423	4.1
69.07058	8.6
71.04998	1.7
73.02341	1.0
79.05484	5.0
81.03425	1.7
81.07056	9.0
83.05037	1.7
83.08602	1.8
85.06546	1.2
91.05476	8.3
93.07048	10.5
95.04986	2.9
95.08626	9.7
97.06572	1.9
103.05458	2.0
105.07035	18.7
107.08604	11.9
109.06519	3.9
109.10163	5.5
111.08113	1.6
117.07049	2.8
119.04963	2.2
119.08584	27.1
121.06537	3.7
121.10162	11.2
123.08091	3.1
123.11700	3.0
124.11209	1.1
125.05993	1.2
128.06232	1.6
129.07042	3.0
131.04903	2.0
131.08574	9.0
133.06483	1.4
133.10130	13.7
135.08064	4.2
135.11708	6.5
137.05989	4.0
137.09598	2.4
141.07040	1.5
142.07831	2.0
143.08533	5.6
144.09395	2.0
145.10110	15.2
147.04453	3.9
147.08054	3.4
147.11716	7.6
149.09659	3.6
149.13254	2.9
150.20294	0.9
151.07520	1.8
151.11197	3.8
153.09152	1.5
155.08627	2.7
156.09337	3.3
157.10130	11.7
158.10947	1.4
159.08037	2.5
159.11694	15.6
161.09637	4.8
161.13260	17.8
163.07457	1.2
163.11238	3.1
163.13356	0.9
163.14758	2.3
164.49854	1.1
165.09140	1.1
167.07028	1.1
167.08476	1.1
168.09395	1.3
169.10173	4.5
171.11702	12.1
173.09659	3.0
173.13266	11.7
175.11237	3.6
175.14825	11.0
177.09239	1.4
177.12840	2.8
178.04982	7.1
179.05318	4.3
181.10008	1.2
183.10355	1.2
183.11795	4.3
185.09602	1.3
185.13232	5.1
187.11234	5.0
187.14835	4.5
188.52225	1.0
189.12755	6.9
189.16429	9.5
191.14433	2.2
191.17944	1.9
193.10345	1.0
193.12279	1.1
195.11716	3.1
197.13310	3.0
199.11227	3.3
199.14896	4.8
201.12695	5.7
201.16396	2.6
203.10674	1.1
203.14349	3.1
206.04503	9.9
207.04811	7.3
207.11952	1.9
207.13710	6.9
209.13385	2.0
211.11212	2.1
211.15059	1.2
213.12753	2.5
213.16367	2.5
215.14377	2.1
215.18034	1.2
217.15912	3.1
219.13870	1.8
221.13553	1.6
223.14880	1.2
225.16347	1.5
225.38055	1.2
227.14198	1.4
227.17934	1.4
229.08632	1.1
229.12338	1.8
229.15997	1.4
241.19418	1.4
247.13373	1.3
251.18060	1.4
253.19385	1.4
283.20407	1.2
289.17926	1.6
319.75632	1.0
389.28665	2.7
401.28400	1.4
419.29498	5.3
435.29214	8.2
437.30679	5.3
447.29034	4.4
453.30173	3.4
455.31680	2.5
465.23285	1.9
465.30011	37.3
483.31137	37.7
501.32104	50.5
502.32233	2.0
519.33258	100.0
520.33716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75653	0.2
55.05503	0.3
57.03429	0.3
66.69476	0.2
67.05505	0.7
69.03417	0.6
69.07066	0.5
71.04998	0.4
71.61832	0.3
73.02905	0.3
79.05470	0.3
81.03408	0.7
81.07062	0.6
83.04991	0.3
85.02898	1.0
85.06536	0.3
91.05470	0.7
93.07020	0.5
95.05002	0.4
95.08606	0.8
97.02885	0.8
98.97600	0.6
99.04427	0.5
103.05434	0.8
105.07041	1.0
107.04973	0.2
107.08581	0.8
109.02869	0.3
109.06555	0.3
109.10153	0.6
115.03873	0.3
117.07025	0.3
119.01908	0.6
119.04923	0.8
119.08595	1.0
121.10128	0.4
123.04420	0.2
125.09657	0.2
127.03976	0.5
128.98575	0.2
129.07069	0.2
130.52026	0.2
131.01942	0.3
131.04935	2.9
131.08568	0.4
133.10133	0.6
135.08052	0.4
135.11729	0.3
137.05983	1.0
141.46974	0.2
145.05028	0.2
145.10101	0.3
147.04424	3.8
147.11726	0.5
149.06001	0.4
151.07581	0.3
153.01857	0.8
161.02982	0.6
165.09126	0.3
167.05557	0.4
167.06984	0.4
173.03008	0.2
175.07561	0.4
179.03352	1.1
185.02873	0.3
193.12383	0.2
203.04036	0.4
221.04999	0.5
237.02759	0.2
256.00305	0.6
275.07452	0.6
299.06213	0.4
335.09512	1.9
387.22318	1.9
500.58582	0.3
519.27777	100.0
520.28387	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
53.99050	0.5
55.01870	0.6
55.05519	1.2
56.96555	1.0
58.93606	0.6
65.03944	1.2
67.05493	2.6
67.92481	0.6
69.03425	2.6
69.07070	1.8
69.49951	4.2
71.04973	0.7
77.36111	0.5
79.05505	0.7
80.82793	0.5
81.03426	3.5
81.07069	3.1
83.03583	0.6
83.04983	0.7
83.08636	0.9
84.96027	0.8
85.02897	2.4
85.06553	1.2
91.05479	10.5
93.07047	2.6
95.04968	1.0
95.08608	3.6
97.02914	1.6
97.06532	0.7
98.97558	0.8
103.05456	4.5
105.07018	2.6
105.18592	0.6
107.08597	3.4
109.02879	1.5
109.06519	1.2
109.10165	8.0
109.13618	0.6
111.08064	1.0
119.04952	21.3
119.08575	4.5
121.06577	0.8
121.10184	1.3
123.08071	0.9
125.09624	0.9
127.03955	2.1
131.04935	8.0
131.08586	1.2
133.06557	0.8
133.10115	2.7
135.11707	8.4
137.05981	2.9
137.09621	1.6
145.04961	0.6
145.10112	1.2
147.04417	100.0
147.11705	1.3
148.04749	1.2
149.05984	1.2
149.09616	0.8
149.13358	0.8
151.03894	0.9
151.07582	1.7
151.11171	1.3
153.01790	1.0
153.31929	0.6
155.07033	0.9
157.10124	1.0
159.11658	0.7
161.06023	1.2
163.07587	0.6
163.11278	0.8
165.05466	5.5
165.09129	0.9
167.07079	1.1
171.11624	0.9
175.14828	3.6
177.05530	0.7
181.04947	1.3
193.15932	4.1
211.16917	5.2
227.09161	2.0
237.26270	0.6
237.77962	0.6
271.06033	3.2
287.05673	0.8
291.08575	3.0
299.06219	0.9
300.47949	0.6
309.09665	4.3
345.77356	0.6
455.31577	0.7
473.32785	0.9
519.21790	2.7
519.28986	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.259
Annotation	Chlorodesmin
Peak:m/z	Relative Intensity
53.03936	0.3
55.05489	0.7
57.07072	0.3
65.03937	0.8
66.85263	0.2
67.05508	1.1
69.03419	0.7
69.07065	0.9
70.85484	0.5
71.05009	0.2
74.58859	0.2
79.05465	0.3
81.03419	1.6
81.07059	1.6
83.04980	0.4
83.08616	0.6
85.02893	0.7
86.07205	0.2
90.89294	0.2
91.05479	8.6
93.07038	0.4
95.05008	0.3
95.08606	2.4
97.02895	0.5
98.21409	0.3
99.04487	0.3
105.07068	0.5
107.08595	1.9
109.02875	0.7
109.06516	0.7
109.09440	0.4
109.10156	6.4
119.04945	21.1
119.08582	2.5
121.10139	0.9
123.08069	0.9
123.11695	0.6
127.03893	0.7
133.10123	1.7
135.11703	7.3
137.09602	0.9
147.04410	100.0
148.04752	0.7
149.13234	0.6
151.11147	0.6
151.14857	0.6
153.12733	0.2
165.05486	5.0
174.77852	0.2
175.14824	3.3
193.15883	5.1
211.16940	3.0
291.08685	3.2
309.09692	4.2
317.47150	0.2
487.03717	0.3
519.18280	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.05498	0.5
56.46368	0.4
65.03945	0.9
67.05490	1.6
69.03414	1.2
69.07057	1.1
69.25916	1.0
69.26324	3.5
70.82812	0.4
79.05466	0.5
81.03419	2.0
81.07051	2.1
83.04967	0.8
83.08624	0.6
85.02897	1.0
91.05480	8.3
93.07022	1.4
95.04927	0.7
95.08601	3.0
97.02928	0.5
103.05466	0.5
105.07001	0.7
107.08575	1.9
109.02876	1.1
109.06518	0.4
109.09450	0.6
109.10163	8.0
119.04950	20.0
119.08588	3.6
121.10153	1.6
123.04368	0.5
123.08066	1.2
123.11709	0.9
127.03858	0.4
131.04951	1.4
133.10149	1.8
135.11696	8.4
137.09616	1.4
143.08420	0.4
145.10159	0.4
145.26537	0.4
147.04410	100.0
148.04756	1.2
149.13383	0.5
151.11194	0.5
151.14819	1.0
163.17673	0.4
165.05496	4.2
175.14798	4.2
184.10266	0.4
193.15869	5.0
209.13383	0.3
211.16936	3.1
229.26476	0.5
291.08578	3.0
309.09674	3.4
374.34998	0.4
378.84378	0.4
397.25931	0.4
407.73672	0.4
455.31247	0.8
470.42297	0.4
473.32770	0.7
501.31900	1.1
521.96649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
56.05031	1.7
57.03424	0.6
58.06356	0.3
58.06607	1.1
60.08168	18.6
65.03936	0.3
65.51665	0.3
67.05506	2.5
69.07056	0.7
71.07021	0.5
71.07381	7.1
79.05503	2.2
81.07063	2.6
86.09709	53.1
91.05485	0.9
93.07053	1.5
95.08607	1.8
98.98470	5.2
104.10748	99.4
105.07034	0.7
105.11079	0.4
107.08621	0.5
109.10165	0.7
119.08591	0.4
121.10152	0.5
125.00009	32.3
127.59882	0.3
163.01572	0.5
184.07349	100.0
185.07689	0.4
229.64331	0.3
258.10999	1.5
335.25879	0.9
371.49142	0.3
441.24231	0.4
500.24591	0.3
500.31317	9.1
518.32465	21.8
519.32678	0.4
535.42963	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64632	0.4
53.03949	0.4
55.05504	0.6
59.05017	0.4
67.05486	0.7
69.03435	0.9
70.14739	0.9
79.05478	0.9
81.03407	0.5
81.07050	1.5
85.02917	1.2
89.06035	0.6
91.05481	1.3
93.07044	0.9
95.04975	0.5
95.08609	1.2
97.02895	0.8
98.21412	0.4
98.97574	0.5
99.08110	0.7
103.05482	0.4
105.07055	2.7
107.04964	0.7
107.08595	1.2
109.06487	0.6
109.10138	1.4
117.06988	0.4
119.04971	0.8
119.08586	3.2
121.06470	0.4
121.10148	1.3
123.08055	0.9
123.11697	0.5
125.05976	0.5
127.03922	1.3
129.07053	0.5
131.04924	0.9
131.08597	1.7
133.06531	0.5
133.10147	1.2
135.08058	0.4
135.11693	0.7
137.05983	1.4
137.09637	0.5
143.08595	0.4
145.10139	1.5
147.03409	0.5
147.04355	2.6
147.08075	0.7
147.11729	0.5
149.02350	0.6
149.06006	1.9
149.09612	0.7
149.13286	0.4
149.99010	0.3
151.03908	0.4
153.01830	1.6
153.05635	0.3
157.10123	0.6
158.62718	0.3
159.11693	1.1
161.06110	0.4
162.91199	0.4
163.14873	0.4
165.12486	0.4
166.04236	0.3
167.06938	0.5
173.13269	2.9
175.11256	0.4
175.14771	0.8
177.05455	0.5
177.12813	0.4
191.14311	5.2
193.15897	0.6
201.12851	0.4
203.14369	1.1
207.13835	0.6
208.14264	0.9
219.13765	2.1
219.17439	0.5
221.15427	0.7
271.06027	5.8
299.05936	1.0
305.08395	0.7
347.09396	0.5
357.09839	0.5
357.18866	3.8
365.10590	0.6
437.30695	0.6
455.31842	0.6
473.32529	4.0
483.30545	0.4
501.32239	0.5
515.34662	0.4
519.24176	100.0
520.24530	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	518.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72600	0.1
55.05519	0.2
56.05036	0.5
57.03427	0.1
58.06350	0.2
58.06630	0.5
59.07413	0.1
60.08165	6.2
67.05505	0.6
69.54731	0.3
69.55132	0.7
71.07378	3.2
79.05512	0.2
81.07055	0.4
86.09708	31.3
87.10043	0.1
91.05489	0.2
93.07050	0.3
94.03483	0.1
95.08613	0.3
98.98465	3.5
104.10745	3.0
105.07032	0.2
112.66829	0.1
125.00009	20.9
133.10049	0.1
150.11212	0.1
184.07346	100.0
185.07697	0.3
196.42848	0.1
224.48448	0.1
227.02911	0.1
248.31355	0.1
310.55008	0.1
335.25940	0.1
500.31271	0.9
518.32471	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01872	1.9
55.05508	4.0
56.96557	2.1
57.03431	5.2
59.05002	2.6
67.05504	4.1
69.03434	17.7
69.07067	2.0
70.06587	2.6
71.04991	1.9
71.61474	2.1
79.05492	4.2
81.03423	3.3
81.07054	4.7
81.87030	1.4
85.02906	12.3
85.06533	4.1
87.04453	8.2
91.05444	9.5
93.07049	5.4
95.04979	3.9
95.08606	5.5
97.02889	12.7
97.06547	2.2
98.97616	1.6
99.04454	1.5
105.07039	13.7
107.04949	2.4
107.08584	9.5
108.29795	1.3
109.06516	4.7
109.10149	2.8
111.04443	1.4
111.08098	2.1
115.03923	10.0
117.07016	2.8
119.04908	4.0
119.08588	19.6
120.08102	1.7
121.06552	1.7
121.10168	9.8
123.08073	8.7
124.08395	2.0
125.09633	1.6
127.03924	5.9
127.11201	1.4
128.06252	2.2
129.07024	4.3
131.04918	1.8
131.08565	11.5
133.04962	7.7
133.06479	2.5
133.10110	7.0
135.08063	19.3
135.11714	4.9
137.05978	5.1
137.09650	2.6
141.07002	1.8
143.08530	10.8
145.02754	1.9
145.05032	2.4
145.10147	7.3
147.04404	10.5
147.08041	13.5
147.11702	14.5
149.02361	2.4
149.09612	7.5
153.01837	6.5
156.09351	12.7
159.11766	4.1
161.09624	2.9
161.13283	5.8
163.11224	1.8
165.09125	3.2
165.12743	2.8
167.07126	2.2
171.11690	30.1
174.10463	2.2
177.05482	3.5
178.05794	1.4
189.09143	2.2
189.12764	24.5
207.13815	100.0
208.14418	1.6
310.77350	1.5
320.22119	1.7
519.18115	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	518.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.5
53.38479	0.3
55.05513	0.5
57.03457	0.3
57.07083	0.6
57.79351	0.2
59.05006	0.6
65.03873	0.3
67.05505	1.4
69.03432	1.5
69.07069	35.3
70.04087	0.4
70.14884	1.4
71.04963	0.3
73.02956	0.3
79.05492	1.1
81.03419	2.4
81.07060	7.9
83.04995	1.1
85.02907	1.4
91.05487	0.6
93.07055	0.8
95.05002	0.8
95.08627	1.8
97.02909	0.6
98.97591	0.8
99.04434	0.3
104.05017	0.3
105.07036	1.0
107.08604	3.1
109.02887	1.3
109.06538	0.9
109.10165	2.5
119.08595	0.7
121.10200	0.4
123.11710	11.4
127.03941	0.6
132.04459	7.5
133.10088	0.6
145.10114	0.5
147.04401	0.3
151.11192	23.0
153.01839	0.5
155.14615	0.3
160.03830	0.5
178.05002	63.0
179.05345	0.4
189.09209	0.4
189.16476	0.3
206.04489	100.0
207.04788	0.9
208.95412	0.3
209.07912	0.4
214.53465	0.4
218.54851	0.3
237.02760	0.3
251.98425	0.3
261.11395	0.5
267.79700	0.3
271.05762	0.4
272.06415	0.3
295.15326	3.0
300.06323	0.4
313.16385	1.0
368.09665	1.2
407.21973	0.3
482.29742	0.4
500.30527	0.7
518.20190	0.6
518.31604	1.0
521.22467	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.7
57.07077	0.6
59.04998	0.6
67.05508	2.2
69.03434	1.6
69.07068	32.1
70.99981	0.7
78.22784	0.3
79.05493	1.4
81.03426	2.4
81.07057	7.9
83.04988	1.1
85.02915	1.4
91.05482	0.9
93.07047	0.8
95.04959	0.9
95.08607	1.4
97.02872	0.5
98.97577	0.9
99.04440	0.5
105.07028	1.2
107.08585	3.0
109.02862	0.8
109.06526	1.5
109.10151	3.4
119.08554	0.5
119.52369	0.3
121.06521	0.3
121.10177	0.6
123.11708	11.2
126.55531	0.3
127.03928	0.7
128.96678	0.3
132.04443	8.2
132.05385	0.6
133.10107	0.5
145.10091	0.3
147.04422	0.4
147.11618	0.4
149.09564	0.4
151.11179	23.6
160.03900	0.5
162.09874	0.3
178.04993	64.4
179.05409	0.5
206.04483	100.0
207.04807	0.8
237.02870	0.5
258.17679	0.2
261.11621	1.0
271.06000	0.9
272.06284	1.4
277.11935	0.4
278.13065	0.3
279.14417	0.3
295.15387	3.3
313.16443	1.1
368.09610	1.8
518.19769	0.9
521.22296	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3891
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
52.17936	0.9
53.03936	2.5
55.01867	1.9
55.05513	16.4
57.03446	4.3
57.07073	2.4
61.63010	0.8
64.08690	0.8
65.03944	1.7
65.92692	0.9
67.05506	30.4
69.07071	15.2
69.93845	2.0
69.94249	2.9
71.05013	0.8
71.08636	0.9
75.02972	0.9
79.05499	23.6
81.07059	34.4
83.05002	1.7
83.08622	7.9
85.06546	2.3
91.05483	18.4
93.07047	29.8
93.07615	1.6
95.04976	2.6
95.08609	27.8
97.06536	3.2
97.10181	4.2
99.08124	1.4
105.07039	23.2
107.08600	20.2
109.06523	2.0
109.10153	11.4
111.08083	2.2
117.07006	9.8
119.08582	22.7
121.10151	17.0
123.08107	1.2
123.11701	4.4
125.09662	1.8
129.07028	3.4
130.07788	1.1
131.07681	0.6
131.08565	16.2
131.09496	1.2
133.10136	18.3
135.11696	10.6
137.09624	1.4
141.07072	1.1
142.91524	0.9
143.08571	6.5
145.10133	17.2
147.11700	12.7
149.09651	1.8
149.13260	7.8
151.11267	1.0
155.08626	2.8
157.10156	5.8
157.33888	0.9
159.11713	12.7
161.13261	8.0
163.11151	1.4
163.14856	2.1
165.12801	1.1
169.10153	2.8
171.11714	5.7
173.13274	10.2
175.11035	0.9
175.14842	3.5
177.16383	1.2
183.11781	3.1
185.13277	5.7
187.14838	4.5
189.16438	2.5
197.13254	1.8
199.13197	1.5
199.14873	3.4
201.16417	3.0
203.18077	1.4
205.15907	1.0
211.14886	2.0
213.16551	1.9
215.17892	1.1
217.15913	1.0
219.17529	1.0
225.16397	1.1
225.19810	0.8
227.16245	0.9
227.18234	1.2
231.17505	1.1
241.18010	3.3
245.19081	1.3
259.20587	2.5
271.62762	0.9
273.22061	1.7
277.21835	1.0
285.22321	1.3
287.23709	1.3
288.36740	0.9
299.23752	1.8
301.21832	1.1
301.25180	2.1
313.25360	1.8
315.23224	1.3
315.26575	1.1
317.24963	1.1
327.26910	2.0
333.24164	2.3
343.26486	1.2
345.27985	0.9
373.91962	0.9
405.30258	2.0
407.28027	1.9
407.32712	4.6
425.34213	14.6
443.35367	7.2
459.34537	1.2
476.34091	4.5
476.84604	2.0
481.36725	1.5
485.35052	3.0
499.37915	20.4
517.38904	100.0
518.39050	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03936	2.8
53.10187	1.3
54.55429	1.2
55.01858	2.0
55.05297	1.2
55.05512	17.1
55.84963	1.1
56.61137	1.2
57.03431	5.5
57.07063	2.5
63.94067	1.3
65.03943	1.4
65.80712	1.3
67.05164	2.0
67.05506	32.9
67.15878	1.4
69.07059	17.6
70.53478	1.4
70.79460	3.0
71.05003	2.0
72.80548	1.3
79.05487	23.7
81.06570	2.3
81.07053	40.7
83.04969	2.4
83.08610	8.4
85.06526	2.0
91.05479	23.8
93.07043	29.8
95.04968	5.4
95.08607	37.4
95.09227	2.0
96.11114	1.4
97.06544	3.9
97.10178	2.9
99.08177	1.5
103.67552	1.3
105.07027	29.9
107.08602	21.1
109.06490	1.6
109.10138	16.4
109.11592	1.2
111.08039	2.4
117.07002	9.3
119.08585	24.6
121.06515	1.5
121.10141	18.8
123.11755	5.6
125.09644	2.3
125.41451	1.5
129.07007	5.8
131.08574	17.1
133.10124	19.3
135.11702	9.4
137.13303	1.3
138.02373	1.4
143.08540	6.6
145.10129	16.9
147.11682	15.1
149.13284	6.0
155.08630	2.5
157.10101	7.8
159.11685	12.7
161.09560	1.5
161.13303	10.4
163.11086	1.8
163.14818	2.4
169.10164	3.0
171.11707	5.9
173.13266	12.0
175.14848	4.2
177.12811	2.2
177.20566	1.5
183.11807	2.6
185.09825	1.5
185.13284	5.7
187.14862	6.5
189.16368	3.2
197.13335	2.8
199.14850	3.2
201.16341	3.2
213.16505	2.2
241.17931	2.5
249.18445	1.7
259.20557	2.5
273.22293	2.0
281.21286	1.8
287.23764	1.8
290.40677	1.4
299.23874	2.7
305.24527	1.6
313.25302	3.6
333.24063	2.2
391.28601	1.6
406.90802	1.5
407.28098	1.8
407.33145	5.3
425.34192	15.0
443.35406	4.7
481.37360	1.9
499.37927	18.7
517.38934	100.0
518.39343	3.5
544.68567	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03935	2.1
55.01869	1.3
55.05260	0.9
55.05514	15.0
55.32183	0.6
56.33890	0.6
56.41435	0.7
57.03436	5.4
57.07068	1.6
57.13063	0.7
57.47211	0.7
58.66822	0.9
61.32649	0.7
61.77825	0.7
65.03937	1.7
65.29470	0.7
67.05505	29.8
69.06706	1.3
69.07070	15.3
71.04996	1.7
75.16761	0.8
77.03924	1.1
79.05495	22.9
81.07060	38.8
83.04990	1.5
83.08631	9.5
85.06545	2.2
91.05479	19.6
93.07050	32.5
95.04966	2.4
95.08606	26.6
97.06538	2.6
97.10149	3.7
98.57898	0.7
99.08028	1.3
103.05463	1.0
103.86003	0.9
105.07032	25.9
107.08601	20.4
109.06593	0.8
109.10155	12.8
111.08082	2.4
115.05403	1.0
117.07038	6.9
119.08582	22.9
121.10159	16.0
123.08112	0.9
123.11729	4.1
125.09626	1.8
128.06241	1.4
129.07007	3.8
131.08569	16.5
133.10132	18.3
135.08093	0.7
135.11702	9.4
137.09537	0.8
137.13281	0.9
139.11226	1.6
141.06972	1.4
143.08560	6.7
145.10127	19.4
146.11005	0.9
147.11684	13.3
149.09567	1.5
149.13290	6.7
155.08563	2.5
157.10153	5.5
159.11702	12.5
161.13272	8.8
163.11208	1.1
163.14795	2.2
165.12697	0.9
169.10135	2.3
171.11664	6.5
173.13258	7.5
175.14867	4.3
177.16405	1.1
181.10233	1.1
181.12062	0.8
183.11722	2.8
185.13287	5.6
187.14828	4.7
189.16429	2.1
197.13348	1.7
199.14825	3.2
201.12637	0.8
201.16403	2.2
203.14342	0.7
203.18040	0.9
209.13239	1.3
211.14854	1.6
213.14732	1.0
213.16460	2.5
215.17969	1.2
219.17545	1.2
224.79173	0.7
241.18024	3.5
245.19044	1.0
257.18945	1.1
259.20618	2.9
263.20242	1.2
273.22244	1.9
275.20236	1.0
281.21072	0.8
287.23709	1.6
299.23752	2.5
301.25238	1.2
303.23383	1.3
313.25256	2.0
315.23303	1.5
315.26831	0.9
319.22809	0.8
327.26590	1.1
333.24158	2.1
335.25894	0.9
343.26328	1.0
361.27597	1.2
391.28424	1.3
405.30035	1.7
407.28384	0.9
407.33148	4.5
416.55026	0.8
419.31757	1.4
425.34113	14.9
433.29681	1.0
443.35297	5.8
447.31161	1.1
499.37897	19.7
517.38916	100.0
518.39099	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
53.03942	1.9
54.53460	0.8
55.01865	1.0
55.05511	10.9
57.03437	3.9
57.07070	1.6
65.03921	1.4
67.05507	29.9
69.07071	13.7
69.33660	5.5
71.04995	2.5
79.05045	1.4
79.05496	22.2
81.06568	1.7
81.07056	35.4
83.04986	1.9
83.08626	7.1
85.06536	1.8
91.05482	17.4
93.07045	28.1
95.04963	2.2
95.08608	29.2
97.06543	3.7
97.10179	3.9
105.07037	22.4
107.08595	19.1
109.06515	2.1
109.10159	10.0
111.08130	1.3
111.11681	0.8
117.07003	8.2
119.08588	23.4
119.09444	1.4
121.06492	0.7
121.10142	13.9
122.06934	0.8
123.08094	1.0
123.11752	3.9
125.09632	1.9
128.06204	1.1
129.06990	3.7
130.07823	1.2
131.08563	15.2
133.10136	17.4
133.11067	1.4
135.07991	1.6
135.11703	9.5
137.09549	0.9
137.13274	1.6
141.07022	0.7
143.08574	5.5
145.10126	16.8
147.11693	12.7
149.09692	1.1
149.13269	7.0
151.24748	0.8
155.08563	1.9
157.10135	6.1
159.11707	12.3
161.13264	7.5
163.11102	1.1
163.14833	2.8
169.10141	3.3
171.11702	5.7
173.13278	9.6
174.19504	0.8
175.14847	3.5
177.16512	0.9
181.10115	1.0
183.11723	3.0
185.13255	4.0
187.14777	5.2
189.16414	2.0
197.13303	2.1
199.13332	0.9
199.14925	2.9
201.16418	3.2
205.15913	0.9
209.13356	0.7
211.14873	1.6
213.16481	2.3
217.15932	1.5
225.16383	1.0
227.18105	1.0
231.17484	0.9
233.18974	0.9
241.17955	2.7
241.20000	1.2
245.18909	1.0
257.18982	1.1
259.20670	3.4
271.20590	1.3
273.22095	1.1
273.45526	0.9
274.04904	0.8
285.22195	1.3
287.23911	2.1
291.22949	0.8
293.21469	0.7
299.23776	1.8
301.25305	1.6
304.01794	0.8
305.28314	1.0
313.25320	2.6
315.23218	1.1
323.23370	0.9
325.25259	1.1
327.26935	1.3
329.24768	0.8
331.26675	0.8
333.24377	1.0
345.28000	0.9
361.27094	0.8
389.26993	0.9
405.30011	1.2
407.28363	1.1
407.32941	4.5
419.31616	1.4
425.34143	14.8
443.35385	5.9
461.36551	1.3
489.35809	0.7
499.37936	16.9
517.38928	100.0
518.39172	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	517.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07284	1.6
52.33402	1.5
67.05499	4.6
69.03433	3.7
69.07086	1.6
71.04964	1.5
71.11063	3.4
81.03413	5.9
81.07054	4.8
85.02892	4.8
91.05467	2.6
93.07024	4.9
95.04935	1.6
95.08640	7.1
96.56824	1.6
97.02895	4.5
99.04436	1.8
103.05471	20.8
105.06997	4.5
107.08620	3.2
109.02871	4.0
109.10125	2.2
119.08578	4.5
121.10112	3.5
123.08046	2.5
127.03862	2.1
131.04933	100.0
131.08546	1.5
132.05296	1.5
133.10083	4.2
136.16544	1.4
147.08038	2.1
147.11681	2.4
149.06001	10.6
149.09610	11.6
153.01814	22.3
153.02942	1.8
159.11728	1.6
161.09656	2.5
161.13278	3.3
163.11232	2.0
171.02930	2.7
173.13286	2.0
189.12769	4.4
207.13803	14.2
222.18521	5.5
266.24060	1.4
275.09186	5.6
293.10175	5.5
302.24997	1.5
315.07043	2.6
355.11658	2.2
415.43942	1.5
481.28925	1.7
482.55194	1.5
517.31061	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	517.2719
Annotation	Asp Gln Val Arg
Peak:m/z	Relative Intensity
55.05496	1.9
63.82767	0.9
65.98040	0.8
67.05500	3.0
69.07066	1.3
75.80787	0.8
77.05820	0.8
79.05474	1.2
81.07056	2.8
83.08601	1.0
91.05464	1.5
93.07049	2.0
95.08586	2.2
97.57398	0.8
98.00024	0.8
104.44349	0.8
105.07041	1.5
107.08588	1.6
109.10161	0.8
118.53971	0.7
119.08573	1.9
119.77031	0.9
120.47871	0.8
133.10159	1.6
135.11678	0.8
145.10159	1.3
147.04391	1.2
151.07565	0.8
239.66745	0.8
270.66641	0.7
337.15640	1.7
347.89175	1.0
413.18652	5.7
428.20996	4.6
449.55881	0.8
495.02054	0.8
514.71722	0.9
517.27167	100.0
517.39154	6.8
518.27502	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3526
Annotation	Nanjiol B
Peak:m/z	Relative Intensity
54.28615	1.1
55.05493	2.2
56.04248	1.0
60.08183	1.4
67.05517	6.9
68.42815	1.2
69.03452	1.7
69.07063	2.2
70.78326	2.8
74.00622	1.1
79.05491	5.9
81.07056	10.7
83.04984	5.5
83.36771	1.4
86.09702	5.2
90.60020	1.2
91.05463	7.3
93.07050	8.6
95.04957	3.6
95.08611	10.8
97.01087	1.4
97.06513	1.9
101.66489	1.0
105.07043	17.3
107.04948	1.5
107.08599	12.3
109.06541	2.3
109.10148	3.8
117.06990	2.3
119.08589	20.7
121.06482	2.4
121.10177	10.5
123.08094	1.5
125.00014	2.1
129.06985	2.5
130.07773	1.3
131.08592	8.9
133.10143	14.0
135.08041	3.3
135.11708	3.7
137.09648	1.8
142.07777	2.1
143.08583	4.9
145.10117	11.5
147.11717	5.1
149.09595	3.7
149.13251	2.9
155.08560	1.5
157.10138	6.5
158.10979	1.3
159.08015	1.7
159.11714	7.5
161.09648	5.3
161.13184	6.0
163.11214	3.2
163.14864	4.6
169.10181	1.8
171.11722	5.4
173.13278	7.9
175.11217	2.2
175.14818	12.4
177.16415	2.9
183.11784	2.4
184.07397	12.5
185.13271	3.6
187.14883	7.0
189.12836	2.9
189.16364	17.8
191.14339	3.0
192.55074	1.5
195.11658	1.3
197.13326	2.4
199.14864	4.8
201.12775	2.0
201.16380	2.1
203.14313	2.3
205.15854	1.6
209.15361	1.7
211.14777	2.0
213.16510	1.4
215.14288	4.1
217.15913	4.7
229.15886	1.4
231.13950	1.3
239.17912	1.4
249.14825	2.0
249.18504	1.6
267.15933	3.0
391.30112	2.7
403.30075	3.9
421.31070	8.0
439.32208	4.1
451.32199	2.6
457.33173	42.6
463.32129	2.2
481.33380	5.1
499.34235	2.1
517.35309	100.0
518.35828	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
59.42170	0.5
65.03937	0.7
67.05505	0.5
69.03423	1.4
69.24104	0.6
70.85658	0.9
70.86002	1.0
79.05495	0.7
81.01276	0.5
81.03415	2.1
81.07056	1.0
85.02921	0.8
88.45261	0.5
91.05477	8.0
93.07061	1.0
105.07035	1.6
107.08597	4.2
109.02895	1.1
109.06530	0.5
109.10184	1.3
119.04950	17.7
121.10142	1.3
122.07301	1.2
131.08562	0.5
133.10127	18.3
135.08067	1.7
137.09636	8.4
147.04414	100.0
147.11646	0.7
148.04707	1.1
149.13258	1.8
153.01816	2.8
157.23842	0.5
165.05493	3.7
173.13281	1.0
191.14291	7.8
209.15324	0.6
291.08649	3.0
309.09695	4.6
320.10956	0.7
337.90671	0.7
387.10004	0.6
416.08316	0.5
447.71274	0.6
469.85962	0.5
517.26617	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.05515	0.7
62.93218	0.5
64.90516	0.5
65.03927	1.2
65.92305	0.6
67.05484	0.7
69.03415	1.9
69.07059	1.2
69.73432	3.4
72.90946	0.5
79.05493	1.8
81.03419	2.4
81.07041	1.2
85.02905	1.7
91.05485	9.0
93.07019	1.5
95.08598	1.0
97.02866	0.6
98.85576	0.6
105.07030	2.1
107.08601	3.9
109.02874	1.5
109.06519	0.9
109.10159	1.0
117.06992	0.6
119.04955	17.5
119.08562	1.2
120.71233	0.6
121.06496	1.0
121.10144	2.5
122.07298	1.3
127.03924	0.7
131.04926	1.8
131.08565	0.9
131.58310	0.6
133.10143	18.1
135.08038	1.9
135.11658	0.6
137.09616	10.2
146.83031	0.5
147.04414	100.0
148.04706	1.3
149.02328	1.0
149.09668	0.7
149.13251	1.9
158.10895	0.9
159.04398	0.8
163.14706	0.5
165.05467	4.3
173.13307	1.1
185.34857	0.6
191.14331	6.3
205.04977	1.9
291.08755	2.9
309.09839	3.5
337.07080	3.1
355.08096	2.3
356.05136	0.6
517.31879	0.9
517.40656	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58503	5.8
55.05487	5.5
55.89251	5.6
59.11399	5.2
60.66669	5.9
67.05489	7.8
67.49580	5.5
69.07060	10.9
70.89928	5.6
71.62091	5.7
71.62493	6.3
79.05484	8.4
81.07034	23.4
91.05470	13.6
93.07044	15.9
95.08603	26.7
105.07027	18.1
107.08582	23.9
109.10164	15.8
119.08558	27.7
121.10136	14.7
131.08553	8.4
133.10130	23.3
135.11720	7.8
145.10094	18.7
147.11699	17.7
149.13240	24.3
157.10164	8.4
159.11710	10.6
161.13223	9.8
163.14801	29.8
173.13226	9.6
175.14828	14.0
187.14839	38.2
189.16388	46.7
201.16376	25.7
203.17938	14.5
215.17990	21.8
229.19614	10.0
247.16998	17.3
249.18491	8.7
261.18430	33.7
296.93094	5.5
343.62790	7.2
377.32034	11.4
423.32565	100.0
441.33649	38.4
487.25095	5.8
516.31415	12.2
516.39716	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.0124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
57.03443	1.5
61.02913	1.7
69.03440	5.2
70.03166	4.5
73.02911	3.9
81.03412	1.2
81.75923	1.0
85.02903	11.5
87.49042	0.9
91.03937	2.4
97.02865	5.1
98.21476	1.3
98.97557	2.2
101.00880	1.8
105.13101	0.8
118.72694	0.8
119.01904	1.1
127.03907	6.2
143.01906	3.3
145.01630	1.3
145.03482	1.5
145.04956	3.4
148.86563	1.1
153.03943	1.3
155.01877	3.3
157.03506	1.6
161.02972	2.1
162.04492	1.1
173.02968	2.9
174.54636	1.0
174.89607	100.0
183.04996	1.4
185.02945	2.4
187.04590	0.9
192.05528	1.3
200.04288	1.0
203.04019	2.1
223.06708	1.9
234.06570	1.9
245.05064	5.6
255.07265	1.4
256.07877	2.0
259.06808	1.5
264.07709	9.4
264.57767	6.6
265.07739	6.7
273.08035	1.7
273.58478	1.2
281.07068	1.8
305.07028	1.1
321.10318	1.2
335.08340	1.4
337.09641	2.7
349.09641	1.0
367.10770	1.5
378.51254	0.9
381.08047	6.6
384.40375	1.0
400.76920	0.9
407.10223	2.7
408.10529	1.1
465.41843	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
55.01851	0.4
55.05518	3.1
56.05037	3.3
56.84881	0.4
65.03925	0.8
67.05499	2.9
69.03415	2.0
69.68559	1.0
69.68959	1.1
70.06593	4.9
79.01855	2.5
79.05483	0.9
80.05000	0.7
81.03395	1.4
81.05816	0.4
81.07060	2.2
82.06580	3.9
83.07368	0.4
84.08144	46.0
85.02909	0.5
85.06506	0.6
85.08505	0.5
91.05457	0.7
95.08596	0.9
96.08127	1.7
97.02893	1.4
98.09695	7.4
100.07620	8.0
101.06036	1.9
107.01293	0.7
109.02863	1.2
109.08865	0.7
109.10151	1.1
111.11755	0.3
112.20393	0.4
119.08585	0.5
122.09703	0.4
124.11233	100.0
125.02353	1.8
125.11608	1.2
126.12798	23.8
127.03914	1.4
132.04448	0.6
142.12277	21.1
143.03409	4.0
147.04370	0.6
149.02357	6.7
149.03456	0.7
153.01837	43.6
153.02927	3.1
154.02173	0.7
167.07126	0.4
171.02893	0.7
178.05003	6.6
184.13313	2.0
186.14896	18.5
202.14374	20.4
206.04491	7.8
214.43144	0.4
259.45703	0.4
293.06528	0.9
297.06042	0.5
300.35956	0.4
306.81339	0.4
315.07114	0.8
369.10382	0.5
414.14099	0.4
456.18527	1.1
516.21045	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	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
51.51179	0.8
53.03947	4.1
54.98359	0.7
55.01862	3.2
55.05516	19.5
57.03444	6.4
57.07076	1.7
57.45567	1.0
65.03929	2.4
67.05509	46.1
69.06716	1.0
69.07074	16.2
69.30353	8.3
70.74294	0.9
71.01346	1.6
71.04973	2.6
74.21181	0.7
79.05497	41.9
79.05956	2.0
79.64193	0.9
81.03423	1.7
81.07062	38.5
83.04989	5.8
83.08635	7.9
85.06553	1.6
91.05484	28.1
93.07050	47.2
95.04996	6.2
95.08035	1.7
95.08612	24.9
97.06541	7.2
97.10185	6.7
99.08080	1.2
103.05394	1.0
105.07037	19.4
107.04987	1.0
107.08598	30.1
109.06544	1.6
109.10150	9.6
111.08060	2.1
115.05498	0.9
117.07021	10.2
119.08589	16.4
121.06510	1.5
121.10147	16.1
123.08080	1.0
123.11705	2.1
125.09589	2.5
128.06216	1.1
129.07024	4.4
131.08569	16.4
133.10150	11.5
135.08087	1.0
135.11703	29.7
137.09627	1.1
137.13152	0.9
137.62045	0.9
141.07042	0.9
143.08607	5.9
145.10136	17.7
147.11664	6.7
147.30719	0.9
149.13280	4.3
151.11188	1.2
153.12735	2.6
155.08583	3.2
157.10150	5.4
159.11719	9.0
161.13257	3.5
163.11205	3.2
163.14857	1.1
169.10146	3.4
171.11729	4.0
173.13251	7.8
175.14897	2.3
181.10150	2.5
181.12209	5.3
183.11717	2.4
185.13208	4.2
187.14896	4.1
189.16400	1.3
195.11787	1.6
197.13275	1.5
199.13225	1.1
199.14864	2.0
201.16438	1.6
209.13338	1.4
211.14818	1.6
213.16551	1.0
233.15149	0.8
234.55855	0.8
243.21223	1.5
259.20648	0.9
261.22272	4.6
297.21976	1.2
299.23721	1.1
311.23523	0.9
317.24844	1.6
342.06165	1.0
405.31427	3.0
423.32590	9.1
441.33917	4.5
459.34802	1.5
497.36139	2.9
515.37360	100.0
516.37640	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	515.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	1.6
53.03732	1.3
53.03945	7.2
53.04161	1.2
55.01868	3.2
55.05513	19.4
55.24816	1.1
57.03439	6.2
57.07070	2.6
65.03934	2.9
67.05507	54.6
69.03468	2.0
69.07065	14.8
69.28897	11.0
71.01342	1.4
71.05002	3.6
77.03911	2.0
79.05499	51.8
81.03417	2.6
81.07059	46.5
83.04988	10.1
83.08605	7.9
85.06541	2.8
91.05486	31.8
91.06060	1.4
93.06452	2.8
93.07048	58.4
95.04958	6.9
95.08608	29.2
97.06538	9.0
97.07092	1.8
97.10178	6.6
98.20737	2.2
99.08105	2.0
103.05425	1.2
105.04543	2.3
105.07032	20.6
107.04963	1.7
107.08598	35.8
109.06522	1.2
109.10149	12.4
111.08125	2.3
117.07021	13.0
119.08585	18.8
121.10158	17.8
121.37888	1.2
123.11714	3.0
125.09628	2.1
129.07043	4.6
131.08580	13.5
133.06502	1.8
133.10130	11.2
135.10670	2.0
135.11696	37.0
137.09575	1.5
141.07018	1.7
143.08618	5.8
145.10129	19.4
147.11674	9.7
149.13293	3.5
151.11276	1.3
153.12738	4.1
155.08473	1.8
157.10126	6.5
159.11708	8.0
161.13303	4.8
163.11189	3.7
169.10179	3.9
171.11697	5.1
173.13263	6.5
175.14813	3.2
181.12213	7.2
183.11667	2.3
185.13316	2.4
187.14781	2.9
195.11714	2.2
197.13232	2.0
199.13171	1.9
199.14824	3.2
201.16460	1.5
261.22208	4.5
272.60205	1.4
299.23450	1.3
311.23535	1.3
317.24823	1.6
405.31619	2.6
423.32693	8.2
440.96695	1.3
441.33951	1.6
459.34659	1.3
497.36429	4.4
515.37360	100.0
516.37469	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	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37893	1.4
51.02374	1.2
52.00924	1.3
53.03942	4.4
55.01873	3.8
55.05518	17.2
57.03429	6.3
57.07077	2.9
60.25750	1.2
67.05507	46.4
69.06760	1.6
69.07079	14.5
70.58305	1.2
70.71212	2.7
70.71545	2.7
71.04987	3.1
78.51911	1.2
79.05492	39.6
81.03414	2.8
81.07062	38.5
83.04978	4.8
83.08627	5.2
90.07377	1.5
91.05481	29.1
93.07050	50.6
95.04964	5.6
95.08611	22.0
97.06544	7.5
97.10167	6.5
99.08080	1.4
105.07030	19.2
107.08604	26.4
109.06526	1.6
109.10173	7.5
111.08102	1.9
113.09668	1.6
117.07021	14.7
119.08584	16.4
121.06530	1.5
121.10139	14.6
123.08035	1.4
123.11754	2.1
129.07005	5.2
131.08559	15.3
133.10147	13.3
135.11690	27.7
139.00381	1.2
142.07864	1.3
143.08525	7.0
145.10126	16.4
147.11685	6.2
149.09656	1.9
149.13249	3.9
153.12749	2.3
154.07915	1.5
155.08630	3.7
157.10155	5.0
159.11707	9.3
161.13309	3.0
163.11212	3.2
169.10130	2.9
171.11658	6.3
173.13284	7.3
175.14841	1.8
181.09966	1.3
181.12279	4.7
183.11768	2.5
185.13313	4.1
187.14827	3.2
189.16394	1.8
199.14844	2.7
211.14806	1.9
223.14874	2.1
243.21136	2.0
258.95709	1.4
261.22226	4.1
297.22168	2.1
299.23950	1.5
317.24927	2.4
405.31458	3.4
423.32800	11.5
441.33841	3.6
497.36255	5.3
515.37366	100.0
516.37793	4.8
520.99426	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.5
54.72711	4.7
55.01876	8.2
55.05504	17.3
55.91732	4.4
57.03437	19.1
57.15574	4.6
61.02950	4.8
67.05507	92.3
69.03422	8.6
69.07063	20.6
69.94605	17.5
69.95018	9.3
79.05489	53.9
81.03419	16.2
81.07058	100.0
83.04993	9.3
83.08590	14.0
85.02901	13.6
91.05476	35.3
93.07045	60.9
95.04962	16.1
95.08611	83.9
97.02905	8.5
97.06524	13.4
98.21464	8.7
99.08109	5.6
103.03973	6.3
105.07021	38.1
107.05003	5.7
107.08588	40.1
109.06548	14.7
109.10162	33.4
117.07025	16.4
119.08575	31.2
121.06477	5.8
121.10123	27.0
123.08097	7.8
123.11684	15.6
129.07028	10.0
131.08571	30.1
133.10138	23.6
135.08017	5.4
135.11697	19.7
143.08571	10.0
145.10129	21.3
147.11690	16.5
149.09669	4.9
149.13245	22.1
157.10147	11.1
159.11688	29.0
161.09616	4.9
161.13295	10.1
163.14752	11.0
171.11697	7.2
173.13266	20.6
185.45799	5.0
187.14874	9.6
243.21150	19.3
253.80322	5.0
261.22153	37.1
285.22186	5.7
301.21753	9.7
335.25787	17.1
345.24307	11.1
353.26862	21.2
358.16382	7.4
369.24231	10.7
377.26819	6.3
419.27856	7.1
497.30740	7.4
515.33618	15.5
530.15710	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	515.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53775	4.1
53.03946	7.0
55.05512	25.3
56.09679	3.6
57.03427	7.1
57.07066	5.4
61.02913	8.3
65.03928	4.2
67.05164	4.8
67.05507	93.9
68.44307	3.6
69.03410	8.2
69.07064	18.4
69.55798	9.5
69.56217	16.4
71.04983	6.2
79.05495	59.0
81.03381	4.7
81.07058	100.0
83.04998	5.1
83.08607	10.0
85.02905	9.7
91.05479	35.5
93.07045	71.8
95.04969	10.4
95.08035	5.4
95.08602	75.1
96.75093	3.4
97.02863	4.7
97.06533	7.7
97.10174	5.4
98.20728	6.4
99.08073	4.9
105.07027	35.5
107.08607	37.1
109.06519	6.5
109.10163	40.0
111.08139	3.8
117.07028	13.8
119.08588	27.4
121.10132	43.3
123.08105	6.2
123.11726	19.5
126.86464	4.0
127.03946	5.0
131.08559	34.4
133.10165	20.5
135.08128	3.7
135.11710	30.9
137.13257	5.8
143.08521	5.9
145.10129	23.1
147.11685	12.0
149.13257	23.3
157.10176	5.8
159.11714	18.6
161.13280	18.4
163.11122	4.5
163.14816	16.5
173.13226	17.6
173.35875	3.5
175.14830	5.3
177.16360	6.4
187.14821	13.1
243.21114	28.9
261.22165	82.3
277.64093	4.3
279.23193	10.4
335.25870	24.5
345.23920	4.9
353.26794	15.8
369.23978	4.9
405.26456	3.8
419.27826	3.9
421.19742	4.4
443.27875	4.6
497.30728	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.1
55.05510	3.1
57.03423	2.6
57.07055	2.5
61.02915	2.2
67.05502	5.4
69.03439	13.5
69.07060	5.0
69.37389	4.7
69.37780	18.0
70.04082	100.0
71.03780	4.5
71.04408	8.4
71.04989	4.9
73.02932	2.5
79.05493	7.5
81.03419	8.7
81.07040	6.2
81.33145	2.0
85.02909	20.9
86.03255	2.3
91.05479	7.6
93.07066	6.2
95.04986	3.5
95.08617	5.8
97.02869	7.6
98.97602	2.8
99.04450	9.2
105.07041	29.3
107.08611	9.0
109.02870	4.5
109.06565	2.8
109.10151	2.3
116.98602	2.2
117.06998	3.3
119.04979	3.2
119.08580	7.0
121.06541	4.9
121.10126	5.0
123.08084	2.1
123.11665	1.9
127.03947	7.6
130.99289	1.9
131.08585	4.9
133.06438	3.4
133.10126	24.1
135.08089	2.0
142.05283	4.7
143.05629	4.1
143.08630	3.5
145.10132	6.0
145.77231	1.9
146.07315	2.3
147.04391	6.6
147.11694	3.9
149.09552	2.6
151.07588	2.8
153.01772	2.8
157.10188	2.9
159.11700	2.2
160.06322	3.4
161.09607	28.6
163.11209	13.4
169.06354	16.7
170.06734	11.5
179.07259	2.6
179.10678	12.1
187.14836	2.5
189.09094	8.0
189.12662	2.2
191.10587	3.5
203.10641	2.6
207.10188	6.7
215.18405	1.9
221.04533	1.9
237.02895	2.6
242.03633	3.5
243.04079	6.3
244.03506	3.5
245.03709	2.7
273.14792	1.9
296.05869	19.2
297.06198	47.4
298.05554	30.3
299.05890	40.9
323.15024	3.7
335.03540	3.9
347.14752	2.1
351.14307	7.4
352.04199	13.8
353.04596	45.8
354.04059	5.7
369.15518	3.1
466.50980	2.1
514.79596	3.8
515.21777	2.8
515.30640	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	515.279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14146	1.7
53.03940	1.8
55.01865	3.9
55.05504	7.0
61.01146	7.5
61.20216	1.8
64.55696	2.0
67.05507	9.7
69.03429	2.4
69.07079	12.9
71.04971	2.0
71.51722	2.5
72.04520	8.5
78.03793	14.1
79.05485	8.3
81.03401	3.7
81.07056	7.3
83.04986	3.7
83.08640	4.3
85.02880	3.3
86.06070	76.0
86.06595	4.0
88.02209	1.7
91.05488	7.6
93.07038	14.7
95.04984	4.1
95.08615	8.5
98.06066	35.1
99.04488	2.7
99.05564	2.2
102.03761	23.6
102.13317	1.7
103.02210	2.0
105.06998	9.7
107.04964	7.5
107.08586	7.4
109.10175	3.5
111.04430	5.2
111.08206	1.7
114.03790	2.1
115.08700	50.5
117.06970	2.4
119.08591	6.7
120.04797	2.6
121.06490	3.6
121.10152	6.4
123.08083	3.0
125.07151	6.2
127.03953	4.7
128.01678	5.4
130.08598	2.8
131.06387	10.1
131.08566	4.5
132.04810	10.3
133.10144	5.5
134.18890	2.0
135.08034	3.5
135.11693	8.6
138.05499	7.3
142.08661	4.0
145.10199	3.8
147.11731	3.5
148.09753	2.5
149.07445	100.0
149.13225	2.4
151.07477	2.2
159.11711	3.4
160.42256	2.0
161.13484	2.3
173.13263	3.7
175.11287	2.1
177.12773	3.1
191.14264	2.5
195.13721	2.2
219.13882	9.3
227.13922	8.1
260.14343	1.8
261.12698	10.3
278.15778	9.4
290.17438	5.2
296.16891	2.8
319.54584	2.1
358.43353	1.9
367.20615	9.6
385.21600	56.6
497.26929	25.9
515.29626	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	515.2284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.1
51.49517	0.9
52.86653	0.8
53.03948	1.9
55.01865	1.8
55.05500	2.7
56.96560	2.0
65.03925	1.3
67.05497	2.1
69.03442	7.8
69.07058	3.3
71.05008	1.6
71.28075	1.6
73.02934	1.4
79.05488	10.7
81.03445	4.5
81.07055	3.9
81.40459	1.2
83.04992	2.1
83.08611	1.1
85.02895	3.0
85.06531	1.7
87.60220	0.9
90.35970	0.9
91.05487	12.9
93.07050	3.7
95.04967	3.7
95.08588	2.4
97.02903	1.7
97.10165	1.1
98.97562	2.2
99.04469	2.5
103.05453	5.1
105.07041	12.5
107.04922	2.5
107.08569	5.1
109.02885	1.2
109.06525	1.3
109.10152	2.0
111.08060	1.2
117.07034	1.3
119.04951	23.9
119.08609	6.7
121.06518	4.8
121.10119	2.7
123.08083	2.0
123.11648	1.3
127.03939	3.0
128.06169	1.1
131.08569	2.0
132.05673	1.1
133.06496	71.7
133.10109	5.3
135.08049	2.7
135.11723	1.5
137.05974	1.6
143.08624	1.5
145.10120	3.1
147.04413	100.0
147.08061	2.2
147.11714	2.2
148.04747	1.1
149.09576	2.6
151.07587	1.2
153.01866	1.3
156.09383	1.2
157.10114	1.6
158.10869	1.3
159.08006	1.9
159.11726	1.6
161.09639	4.1
161.13260	1.5
163.11177	6.5
165.05455	3.2
173.13272	2.8
174.10326	1.5
175.11191	1.3
177.05380	1.3
187.11147	1.6
189.12766	23.1
190.12982	1.0
191.14311	11.2
207.13789	9.7
222.10461	1.1
251.11752	1.2
291.08643	2.7
292.77151	1.0
296.11166	1.2
309.09692	2.8
378.70200	1.0
515.28674	8.3
515.35419	3.3
524.89215	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.2276
Annotation	Gomisin E
Peak:m/z	Relative Intensity
51.02381	1.3
53.03941	3.5
54.57921	1.3
55.01871	1.9
55.05513	2.8
56.43836	1.3
56.96540	2.6
65.03938	2.9
67.05496	2.8
69.03433	8.9
69.07066	1.6
69.30472	1.6
70.06577	1.5
71.04996	3.7
71.62107	2.0
73.67002	1.2
79.05504	10.4
81.03429	6.4
81.07040	7.2
83.04973	4.0
85.02895	5.5
85.06541	2.5
91.05477	14.0
93.07032	4.7
95.04961	3.0
95.08624	3.1
97.02893	4.7
98.97585	1.8
99.04478	4.8
103.05474	6.3
105.03379	1.5
105.07037	16.0
107.08584	5.7
109.02885	3.3
109.06476	2.9
109.10139	2.9
113.70474	1.3
115.03864	1.3
117.06998	1.6
119.04940	20.2
119.08585	9.0
121.06504	6.1
121.10175	2.8
123.08039	1.8
127.03874	6.9
131.08577	4.0
133.06500	70.2
133.10129	9.8
135.04425	2.2
135.08038	4.3
135.11685	2.2
137.05974	2.4
137.09633	2.5
145.06509	1.6
145.10181	2.6
147.04414	100.0
147.08107	2.7
147.11690	2.5
149.02376	1.7
149.09644	2.0
153.01822	2.4
159.08037	3.6
159.11746	1.6
161.09605	9.4
161.13274	2.0
163.11211	7.0
165.05443	3.7
179.10718	2.0
185.13170	1.4
187.11099	1.3
189.09126	1.8
189.12749	23.6
191.14331	12.6
207.13832	7.2
246.88651	1.2
247.05963	1.5
291.08719	2.4
309.09607	3.2
353.22928	1.9
385.57211	1.8
391.70340	1.3
467.21207	1.5
515.22266	56.7
515.28784	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	514.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76304	0.5
65.03944	0.8
69.03429	0.5
70.73345	1.2
70.73700	0.9
75.31777	0.4
81.03432	3.1
85.02914	1.3
91.05479	8.7
97.02909	0.5
100.33123	0.5
104.05032	0.6
109.02900	1.5
119.04944	19.7
127.03951	0.7
127.29726	0.5
132.04440	7.4
147.04414	100.0
148.04771	1.2
160.03989	0.7
165.05489	2.2
178.05000	56.7
179.05394	0.7
184.33929	0.5
191.82875	0.5
194.77821	0.5
206.04488	79.2
207.04808	1.1
291.08563	5.8
309.09573	2.5
315.17313	0.6
368.09793	1.4
410.40237	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.3
55.01868	1.4
57.03427	2.7
61.02933	5.8
65.11477	0.8
67.05521	0.7
69.03428	13.9
69.07066	6.3
69.52043	6.0
71.04993	1.3
71.08633	48.4
73.02899	2.4
73.83763	0.8
79.16973	0.7
81.03429	5.6
81.07045	0.8
85.02907	62.1
87.04475	1.2
91.03939	2.9
95.08610	1.9
97.02901	16.6
98.21503	0.8
99.04434	2.9
99.08097	100.0
100.08408	1.0
109.02888	7.8
119.08658	1.1
127.03918	17.5
129.12762	18.2
145.03891	1.4
145.04971	25.5
145.06120	1.2
147.04382	0.9
153.01813	1.8
155.14316	3.8
161.42786	0.8
163.06038	9.1
164.10635	0.9
173.15384	74.3
192.10222	1.8
194.98436	0.7
291.09760	0.8
292.15051	0.8
352.17896	1.3
451.75446	0.8
482.18958	2.0
503.09375	1.0
514.27692	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.0
55.05507	1.9
55.29229	0.6
58.99566	0.9
65.39062	0.6
67.05508	11.8
69.03429	3.8
69.07043	0.6
69.56380	4.4
70.06590	1.2
71.04971	0.7
71.08630	0.8
79.05503	2.7
81.03412	3.9
81.07056	9.2
85.02917	4.1
91.05482	2.5
93.07044	4.6
95.04957	2.4
95.08607	18.8
97.02900	3.5
99.04462	2.1
99.08096	2.2
100.08464	0.8
105.07030	3.4
109.02878	6.0
109.10184	0.6
111.02666	0.9
111.78133	0.6
116.07072	0.8
119.08586	1.5
123.08076	100.0
124.08411	0.8
127.03920	66.6
128.04207	0.8
133.10150	1.1
135.11674	0.6
137.04219	1.0
138.76930	0.6
139.07578	0.9
143.08549	0.6
145.04956	6.5
147.04477	0.9
153.01819	2.2
153.07333	12.3
155.05241	9.3
161.09641	0.8
163.11284	0.8
169.07654	1.0
173.15385	1.0
174.15735	0.7
185.02791	1.5
195.05550	1.1
197.04475	3.8
199.07877	9.9
213.02081	0.8
213.06729	1.2
215.05621	0.7
221.07091	1.1
225.06711	1.8
229.06050	0.6
231.03273	6.8
239.08150	1.1
245.08514	1.3
249.04329	2.3
253.06067	0.9
257.05634	1.1
267.07874	0.7
271.07205	1.2
277.06143	0.8
285.08694	1.5
287.05533	0.9
295.07205	2.8
312.09656	1.4
313.08197	2.7
335.09372	0.7
354.10791	2.1
371.11826	0.7
372.11911	9.2
400.11551	4.1
515.22009	0.7
515.29291	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
65.02040	0.2
65.03941	0.9
69.03436	0.9
69.54128	0.4
69.54536	1.5
76.56006	0.2
81.03415	2.3
81.07075	0.4
85.02907	1.0
91.05482	8.9
91.93137	0.3
97.02895	0.4
108.08141	0.3
109.02882	0.8
119.04945	20.2
120.05351	0.3
124.11250	0.2
125.05975	0.3
127.03892	0.5
132.04453	8.2
147.04410	77.7
147.66528	0.3
148.04745	1.1
152.07065	0.6
153.01788	0.5
160.03940	0.7
165.05482	0.7
166.13947	0.2
177.05499	0.4
178.04993	64.3
179.05289	0.5
197.11902	0.2
201.06561	0.3
206.04485	100.0
207.04774	1.7
291.08649	2.1
309.09641	0.9
368.09702	1.9
514.13153	0.7
514.22375	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00894	1.7
53.03941	5.1
55.01882	4.0
55.05510	4.4
57.03452	2.4
57.07072	3.7
67.05506	10.3
68.23702	2.2
69.03433	32.6
69.07053	4.7
70.06589	5.1
70.46873	2.2
71.04993	24.3
73.02936	3.7
73.63867	2.1
79.05481	6.1
81.03421	8.4
81.07058	26.8
83.01349	2.5
83.05010	4.5
85.02906	92.8
87.04450	2.4
90.84573	2.3
91.05484	12.8
93.07036	7.2
95.04988	4.7
95.08593	16.3
97.02905	16.1
97.06537	6.6
98.09718	2.8
98.21609	3.8
99.04466	17.8
105.07039	23.8
107.08604	9.5
109.02873	6.0
109.06519	7.5
109.10162	49.9
111.04459	6.6
117.06984	4.2
119.08591	32.6
121.06477	2.6
121.10145	17.5
123.08111	4.9
123.11711	100.0
124.11214	6.1
125.05993	21.4
125.11610	2.6
127.03921	33.2
127.11200	52.9
130.07826	2.2
131.08565	9.7
133.06465	4.4
133.10152	4.1
139.07564	5.1
141.05530	2.5
143.08531	2.8
145.04962	10.7
145.10152	10.2
145.12228	7.9
146.06090	2.3
147.08089	8.6
147.11694	37.9
149.09616	16.4
151.07552	14.9
153.01811	2.4
156.09373	3.3
159.08217	2.6
161.09573	3.5
161.13313	4.3
163.11104	3.4
165.12761	6.2
167.10681	5.7
171.11678	6.3
188.30554	2.2
189.12756	36.4
207.13814	89.4
213.12558	2.5
225.14845	28.1
251.09172	6.8
253.96881	2.4
277.10724	5.0
287.18634	3.8
291.15775	2.7
313.11267	2.7
315.15872	3.9
333.17004	65.5
341.96054	2.1
351.18036	86.6
357.60614	2.0
369.19180	18.1
404.81781	2.2
432.77740	2.3
482.18372	3.7
513.18964	6.9
513.29175	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	513.2682
Annotation	Curcumanggoside
Peak:m/z	Relative Intensity
53.03930	1.3
55.05511	1.7
56.54068	0.9
56.96555	2.0
63.28027	0.9
67.05510	2.5
69.03433	6.7
69.07066	2.1
69.42884	7.9
69.81811	1.0
71.04999	2.4
73.02930	1.5
79.05491	3.0
79.46786	1.0
81.03410	5.9
81.07059	5.3
83.04990	1.4
85.02899	5.8
85.06556	2.5
91.05482	3.5
93.07057	3.7
93.83739	1.2
95.05005	2.6
95.08617	2.9
97.02899	4.6
99.04483	3.7
104.47686	1.0
105.07040	13.6
107.08632	4.4
109.02906	5.5
109.06541	2.0
109.10181	3.4
114.36627	1.2
117.07042	1.2
119.05014	1.1
119.08613	4.4
120.08104	1.5
121.06554	1.3
121.10164	3.4
125.09653	1.1
127.03923	11.3
128.04303	1.2
128.38525	1.0
130.06543	21.6
131.04929	1.3
131.06865	8.5
131.08554	2.5
132.04482	2.9
133.06493	1.2
133.10124	9.4
135.11659	1.3
137.05991	2.6
143.08640	1.5
145.05008	1.9
145.10164	2.6
147.04474	3.8
147.11761	1.2
148.07585	6.7
149.05956	1.6
149.07944	4.0
151.07626	1.2
153.01855	4.6
153.12758	1.2
158.06000	5.6
159.06374	5.1
159.11775	1.2
161.09604	11.6
163.04008	1.4
163.11238	2.8
173.09679	1.2
176.07065	26.0
176.08469	2.0
177.07443	15.4
179.10695	2.4
185.04214	2.1
189.09151	3.0
199.11305	1.0
204.06665	1.3
207.10150	1.4
207.14001	1.1
222.07678	7.5
223.08086	3.6
311.29074	1.2
315.08432	1.4
323.15213	2.2
330.09897	1.7
331.10080	2.7
347.10059	1.2
348.10904	1.2
349.11325	1.5
351.14517	3.9
351.21426	100.0
367.12506	1.5
416.11230	1.2
513.14020	4.5
513.26971	98.5
535.18939	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07939	5.3
51.72027	6.0
53.03934	6.4
55.05508	11.8
55.65245	5.9
56.96562	8.3
57.03416	6.2
61.02925	13.3
67.05518	39.1
69.03416	10.8
69.07056	13.2
71.04951	6.3
71.61320	7.2
71.61696	7.8
73.02902	8.6
77.29340	4.8
79.05492	39.3
81.03403	10.2
81.07053	39.0
83.04971	6.4
83.08610	7.2
85.02901	19.0
85.41069	7.0
91.05502	31.7
93.07056	52.5
95.04971	8.1
95.08626	31.1
97.02879	6.1
99.04414	7.7
105.07037	56.5
107.08604	36.9
109.06496	7.5
109.10139	14.7
113.63772	5.3
117.07031	14.9
119.08588	38.6
121.06584	6.1
121.10133	20.2
125.09606	6.7
127.03927	10.2
129.07011	9.2
131.08540	16.7
133.10123	40.3
133.99213	5.3
135.11670	18.2
137.09566	6.9
141.06912	5.8
143.08607	11.6
145.10141	18.4
147.11693	28.4
149.09612	6.1
149.13266	22.0
157.10179	8.9
159.11700	14.1
161.09579	23.8
161.13271	19.1
163.11250	6.8
163.14748	7.2
163.34024	6.0
171.08104	5.9
171.11694	8.2
173.13255	15.6
175.14804	12.2
185.13242	11.5
189.03864	5.3
211.78854	6.4
241.19533	21.7
259.20602	49.7
277.21664	7.1
333.24286	10.4
351.25284	100.0
401.25677	6.9
513.31500	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	512.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.1
51.02376	0.6
51.10398	0.2
53.03947	1.0
57.07079	1.4
61.54575	0.1
67.05502	0.4
68.54567	0.2
69.07061	0.4
69.64494	1.1
70.06593	1.1
71.08631	0.8
77.03927	0.8
79.05048	0.3
79.05494	3.8
83.08627	0.2
85.10190	0.3
88.07629	1.7
89.06030	2.5
89.16923	0.2
93.07101	0.4
95.04990	1.5
95.08587	0.3
102.09183	1.1
103.05482	3.4
105.07033	100.0
106.07369	0.6
119.08530	0.3
121.06511	3.0
131.08649	0.4
133.08638	0.7
135.08125	0.2
147.08086	0.5
163.07431	0.2
165.09140	0.6
177.11241	0.3
183.10172	19.6
191.10654	0.5
209.13312	3.2
223.11320	0.4
225.12697	0.2
228.23131	0.2
251.14308	0.4
256.26361	3.3
264.92273	0.2
274.27457	0.4
283.26328	4.2
283.29321	0.3
285.14835	0.4
287.16403	4.0
294.09644	0.2
311.29468	0.4
327.17371	0.5
327.20667	0.3
369.01633	0.2
389.20895	0.8
391.22769	0.2
512.50397	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	512.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.3
53.03951	1.2
57.07080	1.7
60.01159	0.2
67.05504	0.3
69.07059	0.4
69.22394	0.3
69.64448	1.2
69.64864	0.5
70.06596	1.4
71.08634	0.8
77.03927	0.5
79.05496	4.0
81.07024	0.6
83.08627	0.5
85.10191	0.4
87.04507	0.2
88.07642	1.4
89.06044	2.9
91.05477	0.5
93.07047	0.7
95.04967	1.2
95.08617	0.3
97.10126	0.2
102.09184	1.4
102.60086	0.2
103.05470	2.9
104.56077	0.2
105.07036	100.0
106.07370	0.9
109.10169	0.2
119.08514	0.2
121.06514	3.4
131.08585	0.4
133.08621	0.7
147.08124	0.4
163.11241	0.3
165.09123	0.6
177.11163	0.3
183.10179	19.9
191.10612	0.5
209.11470	0.4
209.13290	4.3
223.11227	0.5
225.12730	0.4
251.14445	0.5
256.26352	4.6
274.27481	0.5
283.26306	4.5
285.14914	0.4
287.16431	3.5
295.56467	0.2
301.15878	0.3
304.05161	0.2
311.29742	0.4
327.17462	0.7
389.21204	0.9
512.50427	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	512.2856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.2
55.01863	1.1
55.05513	5.1
57.03424	2.1
57.69709	0.6
61.02927	1.0
67.05499	2.7
67.39342	0.5
69.03073	0.8
69.03430	11.9
69.07071	0.7
70.05521	2.8
70.06572	2.1
71.04982	1.8
73.02926	0.7
79.05497	4.7
81.03423	4.7
81.07052	2.5
82.06586	12.7
83.04967	2.5
84.08171	1.1
85.02416	1.2
85.02907	18.1
85.06544	0.7
87.04456	0.8
90.56383	0.6
91.05486	3.9
93.07024	4.6
95.04950	1.5
95.08612	0.7
96.08115	3.5
97.02892	4.7
97.06524	0.8
97.08907	0.7
98.09698	29.9
99.04423	3.1
103.03928	1.0
105.07036	2.7
107.04965	1.8
107.08595	3.7
109.02898	3.0
109.06503	1.6
110.09694	1.5
111.04451	2.0
117.06990	1.1
119.08578	2.3
121.06510	2.2
121.10142	2.2
123.04440	0.6
124.11231	73.6
125.11539	1.3
127.03923	7.5
129.06990	1.3
131.08571	12.3
133.10132	0.9
135.11650	1.0
137.06006	1.3
140.10722	0.6
142.12285	12.2
143.08611	0.7
145.04947	1.6
145.10126	3.4
147.08002	0.7
149.09619	6.0
151.03989	0.8
153.01794	1.3
153.05466	0.8
163.11179	1.3
167.06982	1.1
168.07300	0.8
183.03082	0.8
184.13319	2.0
191.10666	2.1
209.11780	1.7
227.12675	0.8
268.15445	2.6
286.16510	23.0
332.14923	1.2
339.09799	0.9
350.16370	1.1
371.12402	1.0
512.28534	100.0
513.28876	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	10.0
67.05492	16.1
69.03429	28.5
69.61922	47.7
70.06589	13.5
73.88443	7.6
75.81036	7.2
81.03423	20.1
81.52951	8.7
81.68638	7.6
85.02916	20.3
86.17680	7.3
87.46726	7.8
90.65919	8.0
91.05482	9.0
95.04938	8.0
95.08607	29.8
97.02895	34.2
97.06538	7.7
98.21526	17.7
98.97562	10.7
105.06997	12.9
107.08547	7.5
109.02876	19.4
119.08566	11.2
121.10130	13.5
123.08036	13.4
125.02348	100.0
127.03923	22.3
137.05966	28.7
140.03427	10.9
143.03435	21.0
147.04398	13.2
149.09625	30.4
153.01884	45.3
159.08057	9.6
167.07027	30.9
183.09523	9.3
189.12778	23.4
207.13821	50.2
219.36577	8.5
228.10245	10.0
228.33557	7.6
269.06564	32.8
287.07620	8.4
298.64069	8.5
511.17450	40.4
530.42169	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	511.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00782	0.3
55.21306	0.3
55.87918	0.3
64.89068	0.3
66.71075	0.3
67.05519	0.4
69.47167	2.0
74.96931	0.4
80.98942	0.3
81.07083	0.6
92.49998	0.4
96.36503	0.3
116.22110	0.3
137.90552	0.3
149.02350	0.6
193.04959	0.4
222.02647	0.3
237.07437	0.5
238.07910	0.4
336.37985	0.4
457.58078	0.4
467.34909	5.9
511.33994	100.0
512.34540	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
67.05500	0.8
69.07071	0.5
71.05011	0.6
79.05507	1.0
81.07053	1.0
91.05473	0.6
93.07050	1.6
93.12748	0.4
95.08611	1.0
105.06995	0.8
107.08616	0.7
113.71140	0.4
119.08620	0.6
131.08611	0.6
133.10153	0.6
157.10068	0.7
211.13203	0.5
229.73659	0.5
267.16479	0.5
467.35056	0.9
511.34006	100.0
512.35046	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	512.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.05507	0.8
57.03424	1.0
58.64231	0.8
67.05496	1.0
69.03422	3.2
69.07067	1.2
69.46106	6.1
71.05007	1.3
73.23649	0.7
79.05523	1.1
80.44637	0.7
81.03413	4.3
81.07055	1.1
85.02924	3.6
97.02885	3.2
98.97546	1.2
99.04440	1.7
105.07036	2.1
109.02887	7.3
120.08112	4.9
123.65992	0.7
124.11226	0.8
127.03908	10.3
127.46983	0.8
130.06534	64.9
131.04970	1.2
132.04449	9.4
133.10126	1.0
137.05988	0.8
145.04970	1.1
146.06044	1.1
147.04376	2.1
148.07579	23.6
158.06026	23.6
176.07076	100.0
177.07420	1.3
204.06541	4.7
222.07617	22.2
253.10046	0.9
264.08563	1.2
267.11285	3.2
268.12015	0.8
295.10712	1.4
313.15799	0.9
330.09717	8.4
348.10825	7.5
351.14355	1.0
351.21329	4.8
354.12424	1.0
357.14182	1.4
366.11789	3.1
372.13092	3.5
379.95508	0.9
512.12695	1.2
512.20624	5.3
513.26892	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	510.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.9
55.01875	0.8
55.05489	0.7
56.96566	0.8
57.03431	1.5
61.02923	3.9
66.21219	0.9
67.05483	1.1
69.03424	9.6
69.07069	11.6
70.44428	2.7
71.04985	2.5
73.02906	1.1
81.03414	5.1
81.07056	4.8
85.02905	39.2
87.04462	1.0
91.03957	2.6
91.05486	1.5
95.08598	1.6
97.02899	14.4
97.12324	0.8
99.04458	2.3
105.07038	1.4
106.44619	0.7
107.08572	0.8
109.02882	10.1
109.10134	2.1
120.08105	4.7
123.11712	14.2
127.03927	15.0
127.04810	0.6
127.11185	4.1
130.06531	56.4
132.04445	9.3
145.04965	19.4
145.06114	1.0
146.05943	1.1
147.04417	1.9
148.07576	18.9
148.08688	1.6
151.11176	11.4
158.04755	1.2
158.06021	20.7
159.06384	0.8
163.06038	5.5
176.07072	100.0
177.07394	1.2
197.04475	0.8
204.06561	5.2
222.07620	19.3
222.09776	0.8
255.21437	0.9
264.08737	1.1
279.11258	2.1
284.09268	1.6
330.09698	8.9
348.10730	7.9
366.11868	2.4
369.14545	1.3
370.15146	2.1
432.91919	0.7
510.20679	1.0
510.34790	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	510.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65689	0.8
53.03942	1.3
54.20599	0.8
57.03434	1.8
61.02915	2.1
63.55934	1.0
67.05500	1.3
69.03432	6.2
69.07065	6.0
69.48141	1.8
69.48545	6.4
69.71582	0.8
71.04977	2.5
73.02889	0.9
81.03409	4.3
81.07052	2.6
83.04959	0.8
85.02415	1.9
85.02910	24.3
89.48946	0.8
91.03938	1.2
91.05492	0.9
95.08619	2.2
97.02900	10.1
98.20681	0.8
99.04435	1.7
109.02882	9.1
120.08101	5.8
123.11736	9.1
127.03918	13.7
127.11201	4.0
130.06529	65.5
132.04454	10.3
145.04990	12.3
147.04405	2.4
148.07568	21.0
151.11189	9.9
157.24718	0.9
158.06021	24.8
163.06010	3.6
165.09108	0.9
166.09497	1.3
176.07072	100.0
177.07362	1.6
204.06522	5.6
222.07628	23.5
264.08853	1.1
279.11325	0.9
284.09201	2.5
298.50775	0.8
313.16385	1.1
330.09671	9.9
348.10785	9.8
366.11740	2.0
369.14343	1.0
424.13150	1.1
510.34778	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	510.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99314	2.4
58.99585	28.4
66.85266	1.5
69.03429	57.7
69.56266	5.1
69.56699	4.6
79.05491	3.0
81.03438	2.2
81.07049	3.4
85.02898	3.1
86.80318	1.6
86.99051	45.3
87.04465	18.4
91.05475	2.0
93.07017	2.4
95.08580	2.2
97.02889	2.1
98.20703	2.2
99.02671	5.4
99.04465	1.7
105.00091	100.0
105.19232	1.4
117.03709	16.9
119.01622	2.3
121.10153	3.0
123.11715	16.5
124.11231	5.2
127.03934	12.8
133.06468	2.2
135.08002	3.3
145.03159	15.3
147.04420	2.5
149.02701	14.6
149.09586	4.5
153.01810	2.1
163.04225	34.2
173.02696	2.1
173.13322	1.7
191.03725	79.5
257.08444	13.6
313.14658	29.8
328.12796	1.8
348.22040	1.7
505.97906	1.6
510.30981	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	510.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13659	0.2
53.03932	0.2
55.01844	0.2
65.03908	0.3
67.05482	0.5
68.36740	0.1
69.03397	0.5
69.07067	1.1
69.44907	1.3
70.04049	0.7
73.64731	0.2
79.05478	0.3
81.03384	0.2
81.07048	0.3
85.02885	0.3
86.09692	0.4
91.05456	0.5
93.05777	0.2
93.07000	0.3
94.06534	0.6
95.04968	0.3
95.08620	0.4
97.06466	0.2
98.21499	0.3
104.10729	0.5
105.07015	0.4
107.08581	0.3
107.13181	0.2
108.08111	0.2
109.06493	0.3
109.10134	0.2
112.07619	0.2
120.04460	0.5
121.05216	0.2
121.10111	0.2
122.06043	1.4
123.04449	0.3
124.07579	0.3
127.03873	0.2
133.10138	0.2
136.07584	2.8
137.05957	0.5
138.05499	0.2
140.07068	2.9
144.08006	0.2
146.05974	0.5
146.09639	1.9
147.04398	0.2
148.07565	0.2
150.09113	0.2
150.56622	0.2
152.07034	0.2
153.01776	0.2
154.04951	0.5
162.05508	0.4
164.07071	4.0
166.08635	0.5
167.06995	0.7
168.07379	0.2
172.03865	0.3
180.07997	0.3
181.10141	0.4
184.07343	0.4
194.09604	0.3
196.64944	0.2
204.06543	0.4
206.08145	0.4
207.09193	0.3
209.10693	0.5
210.11426	0.5
211.08696	0.5
219.09157	0.5
220.09937	1.1
221.10770	2.2
222.09262	0.3
222.11469	2.5
223.12256	1.7
224.13068	0.4
225.13904	0.2
232.09941	0.4
233.10637	0.5
234.11595	0.5
235.08691	3.5
235.12292	2.9
236.09349	1.4
236.13077	1.2
237.10233	8.3
237.13800	2.8
238.11021	0.9
238.14691	0.4
239.11765	1.4
246.11490	0.3
247.08450	0.4
247.12300	0.9
248.09445	6.3
248.13165	0.3
249.10225	10.1
250.11006	7.1
251.11803	10.7
252.12479	0.8
253.09702	0.3
253.13293	1.1
254.10651	0.2
255.11234	0.7
261.10294	0.5
262.11038	1.6
263.11795	23.8
264.09094	0.5
264.12531	4.2
265.09778	8.3
265.13367	32.2
266.10507	0.4
266.14069	1.5
267.11240	1.4
268.12003	0.6
275.11832	0.5
276.08978	0.6
277.07187	0.1
277.09708	5.6
278.10565	1.4
279.11282	19.1
280.11917	0.7
281.12869	1.2
282.13760	1.2
283.14432	0.8
291.11282	7.5
292.12103	2.0
293.09497	0.2
293.12839	5.1
294.10464	0.3
294.13638	1.2
295.10794	6.7
295.14102	0.3
296.11469	1.3
297.12344	5.4
298.13065	0.3
304.08749	0.2
308.11432	0.2
309.12338	50.2
310.13110	17.0
310.16809	0.2
311.13791	2.8
313.14709	0.3
319.10773	8.9
320.11526	0.5
321.12552	0.4
325.11789	0.8
330.14789	0.2
337.11823	100.0
338.12598	32.7
339.13306	2.1
351.13519	0.3
352.14011	0.3
353.11462	0.7
355.13016	0.3
369.14468	28.0
370.15216	9.3
370.19992	0.4
371.16098	1.5
385.14023	0.2
390.84528	0.2
434.20654	0.5
436.18851	0.3
450.20422	1.8
453.27725	0.2
460.18561	0.4
478.19763	14.3
479.20206	0.3
496.20837	0.2
510.22290	4.0
510.34613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	23.5
64.47837	8.6
66.67397	8.5
67.05501	35.7
67.39423	9.9
69.07058	37.7
71.04989	11.8
71.10196	19.1
76.66472	9.2
79.05500	18.6
81.03432	13.2
81.07065	100.0
83.04998	14.3
83.08619	27.6
85.02901	21.3
85.06551	15.4
91.05464	19.1
93.07044	33.5
95.04941	19.9
95.08607	83.1
97.10157	25.6
105.07030	12.7
107.08617	21.6
109.06470	11.6
109.10155	59.9
111.11713	21.7
119.08601	11.3
121.10138	22.6
123.11692	28.9
125.13249	11.9
133.10138	15.6
137.05920	11.0
137.13301	12.1
149.13249	17.4
151.14787	15.6
161.09569	11.7
219.13792	9.6
250.55977	9.7
275.16620	10.1
293.28387	19.5
311.29526	13.8
311.61121	9.7
509.21591	15.0
509.34555	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13659	0.2
53.03932	0.2
55.01844	0.2
65.03908	0.3
67.05482	0.5
68.36740	0.1
69.03397	0.5
69.07067	1.1
69.44907	1.3
70.04049	0.7
73.64731	0.2
79.05478	0.3
81.03384	0.2
81.07048	0.3
85.02885	0.3
86.09692	0.4
91.05456	0.5
93.05777	0.2
93.07000	0.3
94.06534	0.6
95.04968	0.3
95.08620	0.4
97.06466	0.2
98.21499	0.3
104.10729	0.5
105.07015	0.4
107.08581	0.3
107.13181	0.2
108.08111	0.2
109.06493	0.3
109.10134	0.2
112.07619	0.2
120.04460	0.5
121.05216	0.2
121.10111	0.2
122.06043	1.4
123.04449	0.3
124.07579	0.3
127.03873	0.2
133.10138	0.2
136.07584	2.8
137.05957	0.5
138.05499	0.2
140.07068	2.9
144.08006	0.2
146.05974	0.5
146.09639	1.9
147.04398	0.2
148.07565	0.2
150.09113	0.2
150.56622	0.2
152.07034	0.2
153.01776	0.2
154.04951	0.5
162.05508	0.4
164.07071	4.0
166.08635	0.5
167.06995	0.7
168.07379	0.2
172.03865	0.3
180.07997	0.3
181.10141	0.4
184.07343	0.4
194.09604	0.3
196.64944	0.2
204.06543	0.4
206.08145	0.4
207.09193	0.3
209.10693	0.5
210.11426	0.5
211.08696	0.5
219.09157	0.5
220.09937	1.1
221.10770	2.2
222.09262	0.3
222.11469	2.5
223.12256	1.7
224.13068	0.4
225.13904	0.2
232.09941	0.4
233.10637	0.5
234.11595	0.5
235.08691	3.5
235.12292	2.9
236.09349	1.4
236.13077	1.2
237.10233	8.3
237.13800	2.8
238.11021	0.9
238.14691	0.4
239.11765	1.4
246.11490	0.3
247.08450	0.4
247.12300	0.9
248.09445	6.3
248.13165	0.3
249.10225	10.1
250.11006	7.1
251.11803	10.7
252.12479	0.8
253.09702	0.3
253.13293	1.1
254.10651	0.2
255.11234	0.7
261.10294	0.5
262.11038	1.6
263.11795	23.8
264.09094	0.5
264.12531	4.2
265.09778	8.3
265.13367	32.2
266.10507	0.4
266.14069	1.5
267.11240	1.4
268.12003	0.6
275.11832	0.5
276.08978	0.6
277.07187	0.1
277.09708	5.6
278.10565	1.4
279.11282	19.1
280.11917	0.7
281.12869	1.2
282.13760	1.2
283.14432	0.8
291.11282	7.5
292.12103	2.0
293.09497	0.2
293.12839	5.1
294.10464	0.3
294.13638	1.2
295.10794	6.7
295.14102	0.3
296.11469	1.3
297.12344	5.4
298.13065	0.3
304.08749	0.2
308.11432	0.2
309.12338	50.2
310.13110	17.0
310.16809	0.2
311.13791	2.8
313.14709	0.3
319.10773	8.9
320.11526	0.5
321.12552	0.4
325.11789	0.8
330.14789	0.2
337.11823	100.0
338.12598	32.7
339.13306	2.1
351.13519	0.3
352.14011	0.3
353.11462	0.7
355.13016	0.3
369.14468	28.0
370.15216	9.3
370.19992	0.4
371.16098	1.5
385.14023	0.2
390.84528	0.2
434.20654	0.5
436.18851	0.3
450.20422	1.8
453.27725	0.2
460.18561	0.4
478.19763	14.3
479.20206	0.3
496.20837	0.2
510.22290	4.0
510.34613	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.8
55.01856	14.1
55.05302	5.0
55.05511	59.4
57.03421	15.1
65.03921	6.0
67.05509	81.0
69.03426	8.4
69.07065	34.3
70.38474	10.4
70.38880	7.7
71.04997	27.1
79.05492	78.8
81.03423	36.3
81.07058	100.0
83.04984	25.1
83.08614	35.4
85.02892	14.6
85.06539	14.0
91.04960	4.6
91.05485	59.8
93.07047	71.2
95.04967	66.2
95.08614	48.6
97.02862	4.9
97.06505	18.1
97.10159	50.0
99.04445	5.0
99.08095	7.4
105.07053	42.2
107.04965	43.9
107.08588	51.3
109.02856	4.8
109.06539	52.2
109.10156	34.9
111.04457	11.2
111.08079	9.5
115.05450	5.8
115.35825	4.6
117.07027	20.4
119.04940	6.6
119.08582	27.7
121.06519	34.6
121.10154	39.9
123.08039	16.9
123.11679	12.4
125.09631	34.9
127.03898	14.7
127.07515	4.2
128.06165	5.2
129.06979	15.8
131.04919	10.4
131.08556	34.2
133.06461	12.3
133.10118	20.7
135.08066	21.0
135.11699	10.2
137.05962	8.8
137.09602	6.7
139.11203	8.1
141.06966	7.9
143.08563	4.6
145.06459	14.5
145.10204	22.8
147.08018	12.3
147.11665	14.9
149.05952	7.5
149.09618	26.5
149.13216	7.4
151.07527	5.4
153.01822	10.3
155.08513	5.3
157.10062	11.7
159.08000	6.5
159.11668	10.0
161.05934	6.2
161.09634	6.4
163.11142	16.3
167.10680	15.8
168.57211	4.8
169.09998	6.6
171.11707	6.8
175.07564	5.0
175.11183	5.2
183.11748	5.2
187.11197	5.3
189.11249	25.2
189.12637	6.4
191.14276	12.1
193.12231	16.8
199.13231	21.0
205.12262	8.2
209.11711	8.9
211.13274	11.1
215.14296	7.4
219.13855	30.2
223.13274	12.2
227.12712	17.4
233.15372	13.9
237.14911	7.6
249.14957	7.2
267.15857	11.5
273.14505	8.9
273.17032	15.5
275.16330	6.4
293.17422	19.5
300.30292	5.1
323.95773	4.3
329.30258	6.8
339.23184	7.7
348.99899	4.7
349.21606	20.4
367.22739	45.3
385.23804	45.2
399.25232	6.2
403.24625	10.8
417.26526	7.2
441.26636	6.6
459.27353	41.8
477.28711	41.7
491.30423	20.5
509.26855	16.6
536.09772	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	508.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.3
55.01877	10.1
55.34925	1.7
56.17842	1.4
57.03415	1.7
57.07061	4.7
58.28325	1.6
67.05502	6.6
69.03426	6.8
69.07056	7.0
70.02947	7.0
71.04996	5.3
71.61942	1.8
72.04515	21.2
73.02920	14.1
74.02439	2.1
79.05484	1.9
81.03419	17.5
81.71524	1.5
83.04988	6.1
85.02900	9.1
85.06539	8.3
86.09701	3.7
90.05553	36.4
91.55997	1.6
95.04987	8.5
95.08616	2.3
96.08136	2.7
97.02915	8.5
98.02428	18.9
98.97564	1.8
99.04447	4.8
99.08092	1.7
100.03981	5.9
103.07561	4.9
109.02878	24.8
112.07561	2.2
113.06012	6.0
115.03963	2.1
116.03452	17.3
124.07597	28.3
124.74934	1.6
127.03931	14.2
127.11197	9.5
132.06575	9.6
135.11578	1.9
138.05486	4.0
142.08658	16.1
145.04973	4.5
147.04387	2.9
154.05016	8.4
160.09685	6.1
166.08667	5.0
172.09737	3.4
174.11259	5.2
181.04881	3.2
184.09692	30.2
186.40428	1.7
198.07629	5.6
199.06033	5.3
202.10744	100.0
206.04538	2.4
206.16289	1.9
211.09648	10.8
216.08627	3.3
217.07001	3.3
220.11816	21.6
230.10213	11.0
234.09656	8.7
244.11670	2.5
262.12851	18.5
310.12939	8.6
328.13913	67.4
346.14835	12.2
364.11850	3.3
364.15985	26.9
484.20367	1.7
508.18207	2.4
509.23865	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	509.2388
Annotation	Milolide K
Peak:m/z	Relative Intensity
53.03923	2.1
55.05507	2.6
55.84249	0.8
59.05009	1.1
61.44715	0.8
65.03955	1.6
67.05511	6.4
69.03439	4.4
69.07079	5.2
70.06623	0.8
70.10909	3.6
71.04994	1.1
79.05479	2.4
81.03421	8.0
81.07059	8.1
83.04971	4.1
83.08614	2.8
85.02902	2.9
85.06542	2.0
91.05509	1.2
93.03400	4.2
93.07054	4.3
95.08602	12.0
97.02879	3.9
98.20789	0.9
99.04451	1.5
99.08075	1.2
105.07032	3.1
107.08605	8.8
109.02873	3.4
109.06525	4.5
109.10162	39.5
109.10915	2.0
111.04445	5.9
111.08063	1.2
119.08587	15.0
120.45758	1.0
121.10119	3.2
123.08062	3.8
123.11704	2.9
127.03960	4.5
133.10133	8.2
135.10661	1.8
135.11697	39.1
137.02350	100.0
137.09619	6.2
145.04959	1.8
149.13269	2.6
151.11194	2.9
151.14827	3.6
155.03401	14.0
165.09148	1.4
165.16444	1.4
175.14825	17.5
175.16252	1.6
193.15891	26.6
211.16948	23.7
281.06583	8.6
299.07632	8.2
324.57373	0.9
509.24103	1.1
509.34174	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	507.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
53.40939	1.6
55.05515	17.9
56.54962	1.4
57.03435	3.4
57.07079	43.6
61.69810	1.5
65.03929	3.2
67.05509	59.0
69.07072	24.8
69.24607	5.5
69.25029	10.8
71.04991	3.2
71.08638	31.5
79.05495	30.8
81.03396	3.2
81.07062	79.5
83.04967	4.9
83.08620	21.3
84.09509	1.6
85.06556	3.8
85.10179	14.9
91.05479	17.7
93.07051	42.2
95.04969	4.9
95.08614	42.1
97.06541	6.5
97.10175	10.3
99.08112	4.6
105.07048	5.1
107.08597	20.5
109.06519	2.6
109.10159	19.1
111.08099	4.5
117.07042	6.5
119.08604	2.9
121.10139	13.5
123.11721	7.4
131.08607	4.5
133.10130	7.3
135.11722	7.2
137.13289	3.8
141.88084	1.6
149.09703	1.5
149.13269	29.9
157.69635	1.9
159.11688	11.0
177.12785	6.9
179.35800	1.8
195.12273	2.3
195.13760	11.0
205.34360	1.8
208.78152	1.6
239.23746	10.6
351.02164	1.5
493.90625	1.8
507.40494	100.0
508.40903	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01884	3.1
55.05251	1.8
55.05513	25.8
57.03419	6.6
57.07078	10.8
59.05008	2.8
65.03950	3.0
67.05507	100.0
68.48604	1.2
69.07067	17.1
71.04977	4.1
71.08620	5.6
71.62085	2.5
72.18459	1.1
79.05499	30.8
79.69144	1.1
81.03416	6.5
81.07058	66.7
82.03766	2.9
83.04969	2.4
83.08624	17.1
84.09013	1.3
85.06540	2.4
85.10184	2.3
86.09707	1.9
91.05485	22.9
93.07049	32.1
95.04988	2.2
95.08607	41.1
97.06541	3.5
97.10166	15.2
99.08117	1.2
105.07030	16.5
107.08599	28.4
109.06571	1.4
109.10162	57.8
109.10912	2.8
111.08083	5.1
117.07014	7.2
119.08574	16.1
121.10161	20.2
123.08092	1.8
123.11714	7.9
125.09641	10.9
129.07062	3.0
131.08569	14.2
133.10121	13.5
135.08112	1.6
135.11699	11.5
137.09590	2.0
137.13255	2.7
139.11145	1.6
143.08580	1.7
143.10634	1.5
145.10091	8.7
147.11682	8.6
149.09683	1.4
149.13281	9.9
151.14804	1.3
153.09007	1.5
155.08534	1.8
155.10686	2.7
157.10236	2.1
159.11711	9.6
161.13275	6.3
163.14813	4.7
173.11737	13.0
173.13283	5.8
175.14883	2.7
177.12695	1.6
182.72452	1.2
185.13210	1.4
187.14856	2.5
189.11232	9.2
189.38391	1.1
191.14299	1.6
193.12024	1.4
194.12448	1.7
195.00446	1.6
197.13297	1.7
200.05347	1.1
213.16484	1.6
227.12762	7.1
229.14352	30.0
229.16527	2.1
233.72237	1.2
243.21071	3.5
246.01630	1.6
259.20551	2.9
261.22137	32.3
263.23715	1.5
279.23233	2.5
299.23245	1.2
317.24722	5.0
335.25775	21.8
379.30109	2.5
388.25565	1.4
397.30975	4.9
415.32101	5.2
421.97009	1.3
427.07150	1.2
433.33124	4.9
443.51929	1.5
447.34482	16.3
471.34644	2.4
489.35806	29.5
507.28241	2.4
507.36877	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01861	2.5
55.05510	2.7
57.49310	1.3
64.41111	1.3
65.03935	2.4
67.05489	4.3
69.03434	9.8
69.07088	3.3
69.51440	6.1
69.51864	3.0
79.05501	7.0
81.03419	9.4
81.07073	11.6
83.04977	2.2
85.02911	7.2
85.06534	2.3
87.04415	1.3
89.42840	1.1
91.05494	7.5
93.03396	1.6
93.07047	6.6
95.04953	3.1
95.08606	7.6
97.02901	7.1
97.06534	2.1
98.21525	2.5
105.07031	8.7
107.04948	4.6
107.08604	18.7
109.02888	3.1
109.06490	3.6
109.10153	6.8
111.04465	7.5
111.08143	1.8
115.05499	1.3
117.06992	2.3
119.08612	6.6
121.02863	14.2
121.06498	1.6
121.10130	13.6
122.07285	4.4
123.08054	3.4
123.11698	2.4
125.09605	1.3
127.03940	10.7
131.08577	2.7
133.10133	73.2
134.10478	1.7
135.04401	2.4
135.08081	7.7
135.11690	2.9
137.02351	100.0
137.03389	5.0
137.05988	3.8
137.09622	40.9
139.03859	1.9
139.11160	5.4
145.10109	2.3
147.04408	3.9
147.11661	1.6
149.09636	2.0
149.13289	10.3
151.07500	1.4
151.11246	1.7
153.01817	2.3
154.04956	1.5
155.03398	15.7
163.03926	7.5
163.14801	2.1
165.09158	2.2
165.12766	5.3
173.13254	4.2
183.13828	1.8
191.14308	37.6
209.15378	14.3
213.52644	1.2
225.14879	4.9
256.75461	1.4
281.06735	7.5
291.26816	1.9
299.07571	11.7
345.06018	4.9
507.17999	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	507.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.4
55.01852	2.5
55.05262	1.4
55.05511	24.0
57.03432	7.9
57.07076	11.1
59.04971	2.8
65.03947	3.2
67.05506	100.0
68.05785	2.1
69.03439	2.5
69.07070	17.3
71.04977	3.4
71.08619	7.5
79.05492	31.3
81.03407	5.6
81.07059	73.7
83.04971	3.4
83.08623	17.0
85.06543	3.0
85.10183	2.5
87.36546	1.2
91.04964	1.4
91.05479	22.2
93.07041	38.3
94.54183	1.5
95.04969	5.0
95.08607	48.7
97.06519	4.9
97.10175	14.0
99.08067	2.7
105.07033	18.3
107.08595	26.3
109.06493	1.9
109.10158	60.0
111.08096	4.2
117.06999	9.0
119.08582	18.4
121.10140	19.8
123.08098	2.1
123.11701	9.3
125.09624	10.9
129.06987	3.5
131.08554	15.3
133.10138	13.1
135.08043	2.9
135.11703	11.3
137.09612	2.9
137.13260	3.5
139.11217	1.8
142.07770	1.7
143.08586	2.8
145.10121	11.4
147.11729	8.0
149.13232	12.0
153.09026	1.5
155.10605	3.0
157.10098	2.4
159.11720	10.2
161.13232	4.9
163.14818	5.3
169.10106	1.7
171.11748	4.1
173.11720	16.3
173.13271	6.7
175.14853	3.0
177.12840	1.5
183.11667	1.9
185.13202	2.5
187.14847	3.0
189.11217	8.1
195.00200	2.1
195.13692	1.6
201.16415	1.4
211.14851	1.6
224.66309	1.3
227.12767	8.0
229.14349	33.4
231.15776	1.7
241.19539	1.7
243.21115	4.3
261.22147	26.7
263.23700	2.2
279.23209	1.6
317.24609	3.8
333.24139	1.7
335.25821	22.8
379.29877	3.6
395.74866	1.3
397.30853	7.3
415.32095	7.3
433.32916	6.2
436.77689	1.6
471.34583	3.8
489.35773	33.3
505.24310	1.6
507.27377	4.1
507.37247	15.5
507.39090	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	506.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01867	1.1
55.05520	8.1
57.07070	1.6
67.05506	10.4
69.03416	3.8
69.06715	1.2
69.07070	15.9
71.04969	1.5
71.62077	1.9
79.05493	6.1
81.03413	2.2
81.07060	9.8
83.08619	6.1
85.02902	3.2
87.04451	2.2
91.05462	5.1
93.07037	14.1
95.04993	1.4
95.08607	100.0
96.08978	1.7
97.02879	4.0
97.10182	1.6
105.07021	6.5
107.08599	34.1
109.06551	1.8
109.10156	16.1
115.03935	3.0
119.08571	4.4
121.10148	57.3
122.10938	1.6
123.08044	1.1
123.11692	1.5
125.06013	1.6
127.11177	4.7
131.08542	1.6
132.08870	1.1
133.04984	3.3
135.11679	8.7
137.09610	1.5
145.10098	1.7
145.12227	1.3
147.11736	1.6
149.13258	4.6
150.07710	2.2
165.09145	2.5
171.08023	1.3
177.16386	72.6
186.80743	1.1
324.75049	1.2
419.11642	1.2
506.19675	1.0
506.26443	29.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	6.5
55.05508	8.5
56.96564	9.6
57.07055	4.3
65.03957	5.4
66.79096	4.0
67.05514	26.6
69.03421	16.6
69.07077	27.2
69.26663	40.0
70.06578	13.3
71.04995	6.0
76.21703	3.8
79.01844	5.9
79.05485	14.6
81.03410	17.2
81.07063	57.4
83.04976	4.6
83.08636	6.8
85.02891	17.2
85.06531	26.8
85.09686	3.9
86.09718	12.0
91.05482	44.3
93.07053	28.3
95.04988	11.8
95.08603	45.3
97.02889	18.1
97.06540	6.2
98.97587	7.5
99.04425	4.8
99.08102	7.4
105.07028	26.2
107.04935	10.3
107.08600	30.0
109.02846	17.7
109.06510	9.4
109.10165	33.3
111.08060	9.1
115.05444	5.4
119.04945	30.5
119.08574	17.3
120.08112	4.6
121.02865	41.5
121.06480	6.1
121.10148	16.8
123.04459	6.8
123.08047	14.7
123.11712	24.5
125.02390	4.7
125.09677	12.6
127.03938	27.6
131.04926	10.4
131.08548	7.8
133.06456	6.8
133.10118	21.5
134.10522	5.5
135.04433	5.9
135.08026	9.4
135.11690	14.3
137.05983	29.3
137.09615	13.1
137.13199	8.5
138.06207	4.8
139.03853	6.7
144.05687	5.1
145.05006	4.2
145.06456	10.2
145.10139	7.6
147.04428	79.2
147.08014	4.4
147.11682	9.1
148.04654	4.7
149.06004	7.0
149.09618	9.1
149.13268	14.5
151.03891	9.2
151.07559	5.3
153.01840	100.0
153.02931	4.3
153.66951	4.0
159.08115	6.7
161.05968	12.6
163.07462	5.7
163.14885	5.5
165.09123	19.3
167.07022	15.6
173.05910	5.6
175.07512	10.1
175.14833	7.1
177.05424	6.4
181.04976	16.3
182.15314	4.6
183.02843	5.7
187.07491	5.4
187.11040	4.6
189.09042	4.1
189.12720	6.9
191.14413	6.2
193.15952	5.3
205.08670	6.2
206.04524	4.9
207.13809	9.0
211.16939	5.1
217.19516	5.5
235.20396	4.9
240.67818	4.4
265.06979	8.4
281.10202	11.5
283.05850	8.5
287.05450	8.5
291.26862	10.1
297.11148	5.6
309.27890	8.6
314.08322	4.1
338.96310	4.3
507.16064	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	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67233	0.7
51.02380	0.9
53.03953	4.2
55.01870	2.5
55.05513	11.1
57.03432	1.8
57.07079	44.2
65.03950	1.0
67.05505	30.6
67.66434	0.7
69.03430	1.7
69.07076	13.4
69.59887	2.5
69.60314	2.5
71.05003	2.1
71.08636	32.2
79.05502	14.6
81.03420	100.0
81.06564	1.2
81.07059	34.1
83.04964	3.6
83.08624	36.2
85.06530	1.1
85.10184	18.8
91.05482	20.2
93.07043	10.7
95.04971	27.2
95.08611	32.0
95.09228	1.5
97.02896	2.9
97.06547	1.3
97.10168	11.0
98.20822	1.5
99.11755	1.3
104.97795	0.7
105.07037	15.3
107.04962	5.2
107.08596	4.6
109.06525	2.9
109.10160	14.4
111.04450	2.1
111.08078	10.1
111.11720	2.1
115.05476	1.6
117.07023	1.8
119.04951	1.3
119.08578	12.6
121.06538	2.1
121.10146	6.0
123.04408	1.3
123.08080	1.9
123.11713	6.6
125.09679	0.8
125.13278	1.0
128.06268	0.8
129.07008	9.0
131.08572	9.5
133.06502	3.7
133.10129	3.9
137.09599	1.7
137.13287	2.6
142.07762	3.5
145.10127	1.7
147.08052	3.4
147.11664	5.7
149.09624	4.9
151.14812	1.0
157.10136	9.3
159.11694	0.9
161.13188	0.9
165.12773	3.4
165.16473	1.2
175.11192	10.8
193.12260	53.3
194.12543	0.7
195.11942	0.8
203.14456	0.8
231.13960	2.1
239.23730	11.1
249.14897	8.0
366.05588	0.8
388.27945	0.7
409.73273	0.9
505.38950	98.9
506.39444	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	506.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18448	0.6
69.03433	1.8
70.06578	2.0
71.60963	1.4
72.04510	0.8
76.51068	0.6
81.03410	1.6
84.04504	1.8
85.02903	5.0
87.04469	3.5
89.06033	100.0
97.02901	1.9
107.07076	1.2
109.02853	1.4
119.78065	0.6
124.11245	1.8
127.03949	1.2
133.08609	59.5
133.66725	0.7
152.17598	0.7
177.11224	19.6
177.12631	1.4
184.22025	0.7
195.12254	0.9
212.07251	0.8
221.13815	4.0
231.02922	0.8
239.14952	3.0
259.02490	1.9
277.03403	5.0
283.17493	3.6
303.01303	2.3
309.19293	1.0
319.52487	0.7
327.20148	77.2
328.20486	1.0
330.50110	0.8
412.68317	0.7
506.09341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67233	0.7
51.02380	0.9
53.03953	4.2
55.01870	2.5
55.05513	11.1
57.03432	1.8
57.07079	44.2
65.03950	1.0
67.05505	30.6
67.66434	0.7
69.03430	1.7
69.07076	13.4
69.59887	2.5
69.60314	2.5
71.05003	2.1
71.08636	32.2
79.05502	14.6
81.03420	100.0
81.06564	1.2
81.07059	34.1
83.04964	3.6
83.08624	36.2
85.06530	1.1
85.10184	18.8
91.05482	20.2
93.07043	10.7
95.04971	27.2
95.08611	32.0
95.09228	1.5
97.02896	2.9
97.06547	1.3
97.10168	11.0
98.20822	1.5
99.11755	1.3
104.97795	0.7
105.07037	15.3
107.04962	5.2
107.08596	4.6
109.06525	2.9
109.10160	14.4
111.04450	2.1
111.08078	10.1
111.11720	2.1
115.05476	1.6
117.07023	1.8
119.04951	1.3
119.08578	12.6
121.06538	2.1
121.10146	6.0
123.04408	1.3
123.08080	1.9
123.11713	6.6
125.09679	0.8
125.13278	1.0
128.06268	0.8
129.07008	9.0
131.08572	9.5
133.06502	3.7
133.10129	3.9
137.09599	1.7
137.13287	2.6
142.07762	3.5
145.10127	1.7
147.08052	3.4
147.11664	5.7
149.09624	4.9
151.14812	1.0
157.10136	9.3
159.11694	0.9
161.13188	0.9
165.12773	3.4
165.16473	1.2
175.11192	10.8
193.12260	53.3
194.12543	0.7
195.11942	0.8
203.14456	0.8
231.13960	2.1
239.23730	11.1
249.14897	8.0
366.05588	0.8
388.27945	0.7
409.73273	0.9
505.38950	98.9
506.39444	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	8.6
67.05506	15.6
69.07063	11.0
69.49090	18.6
79.05489	18.5
81.07062	32.4
83.04977	5.0
83.08621	5.4
85.06537	5.3
91.05486	25.9
93.07051	36.0
95.04998	4.8
95.08610	46.5
96.51582	3.3
97.06522	5.4
99.08129	18.1
105.07043	65.7
107.07953	5.4
107.08607	55.4
109.10167	18.6
117.07028	15.1
119.08588	100.0
121.06498	7.5
121.10160	39.8
123.08061	9.3
123.11702	9.4
125.09592	4.1
129.07031	4.1
131.08569	55.3
133.10136	50.2
135.08060	6.3
135.11699	23.4
137.09630	5.8
143.08533	12.2
144.09401	3.9
145.10143	67.6
147.08020	4.9
147.11697	62.3
149.09630	8.5
149.13266	14.1
151.03938	4.8
153.01706	3.1
153.05470	3.1
155.08467	3.4
156.09415	4.7
157.10141	23.1
159.11691	42.7
161.09613	9.4
161.13252	23.6
163.11182	7.4
163.14848	13.2
165.09084	5.0
169.10135	8.0
171.11732	17.0
173.13255	42.8
175.11328	4.7
175.14818	28.7
176.07108	3.7
177.12778	7.1
177.16400	46.8
178.98129	3.0
183.11682	6.5
185.13289	15.5
187.14835	96.3
189.12708	4.9
189.16354	28.3
191.14352	15.0
193.15956	3.3
197.13254	9.7
199.14827	31.0
201.12581	4.0
201.16396	61.3
203.14314	36.8
203.17984	9.0
205.15892	57.7
211.14848	7.6
213.16394	15.2
215.14348	5.4
215.17955	5.2
217.15887	14.4
219.17464	12.5
220.06915	4.0
221.15411	11.9
225.16490	5.4
227.17944	8.2
229.15805	6.6
231.17284	7.5
235.16937	4.3
244.15443	8.7
245.15807	13.0
279.08780	6.6
333.26099	3.1
335.24146	3.0
351.26776	5.7
357.65112	3.0
377.32022	3.5
387.30289	7.3
393.31598	17.1
395.32983	7.6
405.31445	30.5
411.32831	15.9
423.32547	43.3
439.32159	11.5
441.33533	7.5
451.32043	19.8
457.33020	3.5
469.33139	37.1
527.28314	3.5
530.42450	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	505.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	1.7
55.01847	1.1
55.05512	4.9
56.96569	2.1
57.07073	1.7
58.31363	0.9
65.03935	2.0
67.05514	5.7
69.03414	6.5
69.07079	7.8
71.04991	1.9
71.08649	2.0
71.61868	1.1
71.62215	1.1
73.02923	1.3
76.17107	1.0
78.08749	0.8
79.05488	8.9
80.36828	0.9
81.03418	2.4
81.07059	15.1
83.04981	3.2
83.08614	2.4
84.96033	1.0
85.02901	4.1
85.06545	2.2
86.06078	1.3
91.05479	8.8
93.07044	14.6
95.04982	4.1
95.08611	19.3
97.02905	2.4
97.06508	2.9
97.10147	1.2
98.97586	3.7
99.04430	1.5
99.08063	1.4
101.06033	1.3
103.05442	1.1
105.07037	20.9
107.04948	1.9
107.08596	21.3
108.64548	1.1
109.02892	2.1
109.06525	4.7
109.10153	11.2
111.04443	1.3
111.08075	2.5
116.10777	1.9
117.07002	3.2
119.04993	2.2
119.08582	24.4
120.08108	1.4
120.08952	0.9
121.02914	1.6
121.06524	5.5
121.10139	15.3
123.08033	7.2
123.11723	4.9
124.11235	1.4
125.09651	2.3
127.03938	4.2
128.98753	1.0
129.07007	2.7
131.08565	12.5
133.06499	2.5
133.10129	15.7
135.08081	4.4
135.11700	6.6
137.06001	8.1
137.09625	3.8
141.06958	1.2
142.07710	1.7
142.17821	1.2
143.08562	5.0
145.10112	17.5
147.04378	2.8
147.08052	3.4
147.11702	13.5
149.09615	3.2
149.13309	5.2
151.03893	1.7
151.07509	1.5
151.11182	1.9
153.01845	3.1
153.05304	1.0
155.08577	1.1
157.10129	4.8
159.11723	13.5
161.05975	1.7
161.09621	2.8
161.13252	6.2
163.11208	3.1
163.14799	8.2
165.09132	5.2
167.07080	2.5
169.10136	2.8
170.10858	1.2
171.11693	5.6
173.13266	10.6
175.11186	2.0
175.14793	8.7
177.09068	1.5
177.12721	2.3
177.16302	5.1
179.10677	1.5
181.04993	1.8
183.11758	1.9
185.13336	5.4
187.14806	16.6
189.12753	2.2
189.16359	5.3
191.14287	8.6
191.17926	1.6
197.13228	1.4
199.14865	4.7
201.16371	18.9
203.14372	6.4
203.17976	4.7
205.15846	13.0
209.15320	7.8
211.14963	1.2
213.16397	3.1
214.18048	2.0
215.18155	4.3
217.15996	2.2
219.17410	1.4
220.78700	1.0
221.15367	2.6
225.16527	1.1
227.14729	1.9
229.15953	2.0
233.15262	1.3
235.16942	2.2
237.12735	1.2
241.19518	1.7
243.21071	2.1
244.15436	4.2
245.15738	5.9
247.16969	5.1
255.21059	4.6
257.19208	1.3
267.20929	1.4
267.64264	1.1
269.22653	1.6
334.17484	1.1
363.25314	5.4
375.30545	1.4
377.23734	1.2
387.30521	1.4
389.26840	4.3
393.31647	1.3
398.18134	1.2
405.31653	3.8
423.32562	4.0
433.31003	2.8
441.33548	4.6
451.32358	5.0
459.34720	100.0
460.35168	2.7
469.33139	1.2
487.33722	1.4
505.19861	6.3
505.36194	3.1
531.02844	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3528
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
51.06145	0.5
55.05510	2.6
67.05499	3.8
69.07069	3.2
69.82285	3.5
71.31512	0.6
79.05499	5.0
80.42842	0.6
81.07066	10.6
83.04977	0.9
83.08591	1.4
85.37231	0.6
91.05478	4.2
93.07041	9.2
95.04969	1.0
95.08609	15.9
97.11504	0.6
98.20827	1.3
98.21376	1.1
105.07030	9.1
107.08587	15.3
109.06537	2.7
109.10165	6.1
111.08089	0.7
112.68356	0.7
117.07047	1.5
119.08573	9.6
121.06522	1.7
121.10139	13.6
123.08066	1.8
123.11791	0.7
124.11237	2.5
131.08574	8.9
133.06438	0.6
133.10133	6.2
135.08069	2.3
135.11710	5.2
137.09621	1.6
143.08557	2.8
145.10136	11.9
147.11687	9.7
149.09622	1.6
149.13271	7.0
151.11192	0.8
155.08536	1.3
157.10130	2.9
159.11710	7.4
161.13243	3.4
163.11206	1.7
163.14827	11.2
169.10194	1.3
169.90878	0.6
171.11714	2.4
173.13258	7.3
175.14815	3.6
177.16391	7.5
185.13300	3.3
187.14828	13.8
189.16389	1.9
191.14304	11.5
191.17941	1.4
197.13290	1.4
199.14833	1.6
201.12657	1.0
201.16405	6.3
203.14307	2.1
203.17941	0.7
205.15884	58.4
209.15392	5.1
211.15134	0.7
211.96709	0.7
211.98708	0.8
213.16377	1.7
214.17250	0.7
215.17973	3.4
217.16040	0.9
219.17401	3.5
221.15358	0.9
221.37926	0.7
227.18037	1.2
229.19595	2.0
231.17557	0.8
240.97894	0.7
241.19479	1.1
255.21056	1.2
258.12164	0.7
269.22791	0.7
301.35941	0.7
387.30011	0.6
393.31451	1.1
405.31683	1.2
423.32596	1.7
441.33618	7.8
459.34711	100.0
460.34976	2.3
469.32803	0.8
487.34634	1.0
505.34457	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	505.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85620	4.5
53.03936	5.0
55.05498	19.3
57.07059	9.4
58.83191	4.8
67.05491	18.7
69.03414	10.4
69.07078	23.1
70.75544	7.4
70.75882	9.9
74.42802	5.9
79.05474	14.0
81.07061	42.1
83.04960	5.7
83.08625	10.2
85.02881	8.6
86.09724	5.3
91.05489	23.6
93.07043	45.6
95.08599	70.0
103.05446	7.0
105.07021	63.9
107.08604	59.5
108.71277	4.6
109.02852	8.0
109.10149	36.9
117.06999	14.6
119.08572	100.0
121.10154	47.0
123.08104	7.1
123.11697	21.5
127.03925	9.2
131.08553	57.9
133.06490	16.1
133.10118	61.6
135.07980	5.0
135.11653	18.4
137.02332	9.3
143.08553	13.7
145.10126	85.0
146.25708	5.0
147.04369	11.7
147.11658	51.2
148.06328	6.7
149.09596	6.4
149.13220	16.2
153.01817	29.6
154.02155	12.2
157.10078	15.3
157.51367	4.8
159.11679	43.1
161.09555	12.5
161.13281	28.0
163.11195	12.3
163.14828	28.1
165.09048	9.1
169.10089	5.7
171.11632	14.2
173.13254	53.9
175.14806	48.1
177.16394	25.0
185.13248	16.9
187.14821	89.5
189.16330	29.5
191.14320	41.0
191.17963	9.9
196.24449	5.5
199.14839	26.2
201.16379	66.2
203.14316	31.9
203.17961	64.1
205.15895	68.9
207.17407	5.3
209.15364	17.8
213.16373	14.9
215.14278	6.5
215.17934	8.3
217.15804	5.6
219.17462	6.4
221.15303	22.7
231.17325	8.3
247.16968	11.9
343.15619	8.4
377.32214	7.1
393.31586	6.2
405.31549	33.4
407.33203	10.4
421.31128	5.7
423.32477	22.4
439.31839	8.1
441.33539	9.0
451.32080	18.5
469.32922	20.3
505.20084	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	505.3524
Annotation	MADECASSIC ACID
Peak:m/z	Relative Intensity
55.05508	2.7
67.05502	4.2
69.07059	4.2
69.44526	5.7
69.44943	3.1
70.63692	1.1
79.05490	3.2
81.07052	8.5
83.04987	1.3
83.08604	1.7
91.05489	5.2
93.07040	10.4
95.04976	1.6
95.08614	13.7
105.07037	13.2
107.08599	16.0
109.06522	2.6
109.10152	4.5
111.08121	1.6
117.07045	2.0
119.08588	16.7
121.06490	2.4
121.10168	9.9
123.08057	3.5
123.11720	1.8
129.06979	1.4
131.08559	9.4
133.10129	10.5
135.08072	1.6
135.11682	3.0
137.09627	1.6
143.08553	3.4
145.10124	11.9
145.86720	1.1
147.08022	1.3
147.11703	10.5
149.09622	2.7
149.13271	4.2
151.11183	1.6
157.10153	4.4
159.11719	8.8
161.09637	1.6
161.13226	5.4
163.11221	1.9
163.14813	7.4
169.10121	1.5
171.11694	3.0
173.13272	9.8
175.14836	4.6
177.16373	4.2
183.11668	1.4
185.13251	3.4
187.11311	1.4
187.14833	12.0
189.16393	4.2
191.14328	9.9
197.13243	1.5
199.14810	4.5
201.16399	17.5
203.14304	3.8
203.17969	5.8
203.72749	1.2
205.15871	11.3
209.13710	1.2
209.15376	7.5
211.14783	2.0
213.16437	2.2
217.15819	1.7
219.17500	1.8
221.15370	1.8
225.16287	1.7
229.15726	1.3
233.15488	1.2
235.16966	1.8
241.19441	1.6
243.21085	1.6
247.16974	3.5
255.21057	3.8
269.19028	1.6
269.22607	1.7
278.26666	1.1
312.25769	1.1
363.25189	5.8
389.26794	5.7
405.31543	4.5
422.87137	1.4
423.32446	3.4
433.31042	1.8
441.33646	5.1
451.32013	5.7
459.34732	100.0
460.34827	3.1
469.33160	1.8
505.35095	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	505.2623
Annotation	Reniformin
Peak:m/z	Relative Intensity
70.35799	0.2
79.05482	0.2
81.07050	0.5
93.07042	0.8
95.08612	0.6
101.00913	0.2
105.07032	0.5
107.05018	0.2
107.08602	0.5
109.10191	0.4
119.08572	0.5
121.10186	0.4
131.01985	0.3
131.08487	0.3
133.10181	0.3
135.11812	0.2
137.09669	0.3
145.10135	0.3
147.11737	0.3
155.01947	0.3
157.10152	0.3
165.09213	0.3
177.16316	0.3
188.33537	0.2
205.15923	1.4
214.76259	0.3
221.05064	0.4
245.05154	1.0
257.05066	0.5
295.92343	0.2
305.08325	0.2
343.20947	0.4
441.34027	0.3
459.19058	0.2
459.34717	1.0
505.26199	100.0
506.26587	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2644
Annotation	Leeaoside
Peak:m/z	Relative Intensity
55.39336	6.3
56.32229	7.5
56.32935	6.9
66.70820	6.2
67.05486	16.3
69.07063	9.9
69.37206	62.1
81.07068	18.2
95.08596	21.7
107.08575	20.6
109.10160	71.8
119.08607	36.6
120.46259	8.3
123.08077	14.7
126.07996	7.1
133.10123	20.0
135.11710	83.5
137.09639	15.1
148.54062	7.7
151.14877	8.3
157.25369	6.8
165.26875	7.5
174.50119	7.2
175.14879	41.1
193.15843	68.4
211.16975	100.0
221.09981	9.5
305.88019	6.9
343.04669	10.3
429.98312	8.0
478.75235	8.1
503.76056	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	504.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01858	1.1
55.05510	5.0
56.96559	0.9
57.03442	0.8
67.05499	2.8
69.03430	5.6
69.07076	1.7
69.18591	0.6
71.04962	1.0
71.08636	6.5
71.61996	1.1
72.08161	1.2
73.02892	1.0
79.05486	2.3
81.03411	2.3
81.07058	3.8
83.04983	4.9
83.08620	0.8
84.08152	0.9
85.02901	6.5
85.06551	1.0
86.06075	15.0
86.10419	0.7
91.04046	0.8
91.05469	2.8
93.07027	3.1
95.04961	0.7
95.08614	4.6
96.08139	5.6
96.08981	0.7
97.02874	2.5
97.10056	0.7
98.06045	0.8
98.09695	7.7
98.97560	1.4
99.04479	1.4
99.08104	8.5
101.06019	3.4
105.07038	2.8
107.04940	1.1
107.08604	3.9
108.08103	1.3
108.08882	0.7
109.02911	1.1
109.06526	0.9
109.10141	2.0
111.04448	6.8
115.03960	0.9
116.10735	22.7
119.08560	5.0
120.08925	1.0
121.10143	2.6
122.09637	1.5
124.07597	0.7
124.11229	1.8
127.03942	5.7
129.05441	1.2
131.08577	1.3
133.10129	2.8
134.09633	0.8
134.10556	0.8
135.08052	0.9
135.11635	1.4
137.05972	2.0
137.09644	1.7
142.08650	10.1
142.12277	0.9
143.10696	4.1
145.04951	1.1
145.10095	1.8
147.04462	0.8
147.07961	0.8
147.11674	1.9
149.09554	0.8
151.03911	0.9
153.01877	1.1
155.07042	2.3
157.10155	1.4
159.11752	0.8
161.13210	0.8
162.12636	1.0
163.11157	0.7
164.10715	4.1
164.68820	0.7
173.08105	1.2
173.13316	1.0
178.12273	2.4
180.13890	1.3
182.15422	3.8
184.13422	1.1
185.13255	1.0
186.13637	0.9
190.12236	3.2
196.16948	0.9
198.14960	1.8
208.13387	6.2
214.18021	12.3
226.12117	1.5
226.14397	31.0
236.86504	0.7
244.15462	100.0
245.15704	1.6
261.13242	1.8
271.59357	0.7
297.06476	0.7
324.21741	1.3
342.22696	7.9
388.19711	2.8
406.20770	11.0
438.30460	1.1
450.30811	3.0
458.33557	1.0
459.34680	1.0
468.31851	3.9
486.32693	2.5
504.27631	3.9
504.35074	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
55.05506	4.3
65.03936	1.5
65.54898	0.6
66.52773	0.6
67.05494	1.3
67.33203	0.6
68.08108	0.6
69.03447	4.7
69.07048	1.2
69.88450	3.6
71.04982	1.1
71.08636	5.3
72.08148	0.9
73.02885	0.9
79.05482	2.5
81.03419	2.3
81.07060	3.6
83.04977	5.0
83.08622	1.0
85.02914	6.0
85.06548	0.9
86.06071	15.1
87.04478	0.9
91.05476	3.4
93.07022	2.9
95.01312	0.9
95.04950	1.0
95.08604	3.7
96.08128	4.5
97.02903	3.8
98.09698	7.1
99.04445	1.3
99.07557	0.7
99.08113	7.8
101.06024	2.9
105.07045	5.7
107.08587	4.8
107.56556	0.7
108.08099	0.8
109.02898	1.6
109.06535	0.8
109.10165	2.2
111.04426	5.7
111.08099	0.9
116.10738	20.1
117.07054	1.5
119.08571	6.6
120.08083	0.7
121.06495	0.8
121.08919	0.7
121.10181	3.5
123.08107	0.8
123.11721	1.0
124.07608	0.9
124.11249	4.1
127.03910	2.9
129.05495	1.1
131.04892	1.3
131.08595	4.1
133.10126	3.3
135.04420	7.0
135.08014	1.0
135.11699	2.0
136.03716	0.7
136.04745	2.9
137.09599	1.3
142.08653	10.1
142.12332	0.6
143.08607	0.7
143.10693	2.6
145.04956	1.3
145.10132	5.6
147.04390	1.8
147.11717	3.3
149.02348	28.2
150.02705	10.2
151.03941	1.4
153.01842	1.8
155.07033	1.8
157.10127	0.9
159.11685	2.8
161.09595	1.7
161.13303	1.2
164.10732	4.4
171.11691	0.9
173.06009	0.7
173.08098	1.0
173.13249	2.2
175.07631	0.8
175.14844	1.2
177.16376	2.4
177.88066	0.6
180.13876	1.1
181.04941	0.8
182.15440	4.2
183.11653	0.8
184.13344	1.2
187.14760	3.2
189.16391	0.9
190.12291	2.3
191.14317	0.9
198.14917	2.1
201.16391	2.0
205.15851	2.0
208.13322	5.7
214.18027	3.1
217.15819	0.8
219.06433	0.9
226.14392	27.4
244.15462	100.0
245.15744	1.1
261.13388	1.5
279.08633	0.9
287.01993	0.8
308.10168	1.0
315.47894	0.7
323.09238	1.0
324.09564	1.6
324.21829	1.2
326.11044	1.8
342.22729	8.2
388.19769	1.7
406.20749	6.9
414.85092	0.8
423.32397	0.8
469.33554	0.9
504.19016	3.7
504.27222	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	504.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32875	0.6
51.02377	0.6
52.98167	0.5
55.05494	1.2
55.35359	0.6
59.54863	0.5
67.05511	0.7
69.03433	2.8
69.07084	3.1
71.08618	2.1
71.34749	0.7
71.35092	0.7
78.28564	0.6
79.01850	2.0
80.64069	0.6
81.03430	5.5
81.07061	1.4
85.02917	4.6
91.05483	1.0
93.07017	0.8
97.02900	3.9
98.97545	0.6
99.04502	0.8
99.08115	4.3
105.07036	1.6
107.01323	1.0
107.08606	1.4
108.08993	0.5
109.02875	5.3
109.10137	1.0
111.11732	0.9
112.12065	0.6
115.03844	0.6
116.83366	0.6
119.08578	0.9
119.64768	0.6
125.02348	1.6
127.03909	7.9
129.12746	0.8
129.49022	0.5
133.10182	0.9
137.05905	0.7
143.03438	4.0
145.04991	0.9
153.01839	100.0
154.02136	0.9
167.27312	0.6
171.02902	11.9
171.11644	0.6
173.15401	0.8
176.20706	0.6
201.12717	0.7
203.05295	2.9
204.05707	0.8
246.07663	0.7
249.05519	0.9
289.09012	1.3
290.09283	1.8
290.22354	0.6
297.06091	5.1
307.05951	1.2
315.07108	19.2
400.20386	1.0
402.01050	0.6
458.33670	1.5
465.28568	0.6
504.25101	20.4
504.32227	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01867	1.0
55.05512	19.9
57.03432	2.9
57.07067	2.8
58.67339	0.8
59.05002	1.3
65.03943	3.1
67.05508	67.2
69.03443	1.1
69.07069	13.9
71.04990	5.2
71.17124	0.9
71.62081	1.0
71.62440	0.9
73.06514	0.9
79.05499	35.3
81.03423	4.0
81.07059	100.0
83.04976	1.8
83.08627	9.8
83.53559	0.9
85.06554	11.2
91.05482	22.7
93.07049	33.5
95.04974	5.3
95.08610	24.0
97.06541	2.1
97.10194	3.4
105.04566	1.3
105.07035	17.2
107.04987	1.4
107.08604	16.5
109.10163	9.9
111.08116	2.0
111.11749	1.2
117.07037	4.0
119.08585	13.0
121.10163	14.1
123.11709	12.9
124.81978	0.9
125.09679	1.1
129.07016	2.0
131.08578	9.8
133.10149	14.7
135.11708	9.7
135.96527	0.8
143.08578	2.0
145.10121	7.3
147.11665	5.9
149.13289	3.0
151.11156	4.7
153.12769	1.8
157.10176	2.0
159.11696	5.7
161.13240	4.2
163.14836	1.2
169.12270	2.9
171.11728	2.1
173.13322	3.7
175.14948	2.4
183.11673	1.0
185.13347	1.2
187.13371	8.9
187.14873	2.1
193.12320	1.6
216.05989	1.0
227.16570	1.9
229.64066	0.9
259.20740	1.0
261.22247	3.9
327.51312	0.9
379.98999	0.9
391.88077	0.8
393.31509	1.7
411.32364	4.2
429.33786	2.9
447.34631	1.1
464.53296	1.1
485.36462	2.8
503.37497	78.4
504.37567	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.6
53.03951	3.3
55.01866	1.0
55.05251	1.0
55.05515	17.3
57.03439	1.9
57.07075	3.1
59.05016	0.9
65.03947	3.1
66.04723	0.4
67.05508	63.9
69.03442	0.7
69.07075	10.4
69.94755	2.5
71.04998	7.5
71.08630	0.8
73.06546	0.9
77.03946	0.8
78.89484	0.5
79.05501	33.1
81.03432	3.5
81.07062	100.0
82.07435	0.6
83.04973	1.8
83.08633	8.2
85.06544	10.5
89.55692	0.5
91.05485	23.6
92.10394	0.5
93.07051	28.8
94.07391	0.7
95.04961	4.3
95.08611	22.0
96.08940	0.4
97.06542	1.7
97.10171	3.5
98.20827	0.8
101.56082	0.4
105.04536	1.3
105.07037	14.9
107.05002	0.6
107.08597	16.7
109.06524	1.4
109.10159	11.4
111.08115	1.5
111.11727	0.7
117.07008	3.5
119.08591	9.1
121.10149	13.9
123.08120	1.1
123.11716	14.0
125.09641	0.5
127.07570	0.8
129.07013	1.1
131.08575	6.7
133.10138	13.5
135.11708	7.7
137.09630	0.7
139.11189	0.8
143.08551	1.2
145.10130	5.1
147.11662	4.6
149.13263	2.8
151.11186	5.6
153.12726	0.6
157.10190	1.9
159.11702	4.5
161.13231	2.7
163.14838	1.0
169.12276	2.3
171.11748	1.0
173.13269	3.0
175.14803	1.4
183.11772	0.5
185.13290	1.0
187.13336	8.9
187.14853	1.7
193.12289	1.0
193.96815	0.4
197.13219	0.5
201.16356	0.9
227.16335	0.7
243.21193	0.5
261.22107	3.5
317.24985	0.8
364.14606	0.6
393.31717	0.9
411.32721	2.0
485.36285	1.6
503.37399	64.5
504.37573	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	503.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.1
55.05512	16.0
57.03423	2.3
57.07080	2.6
59.04995	0.9
61.95567	0.9
65.03945	2.4
67.05506	62.4
69.03456	1.0
69.07069	11.9
71.04987	5.9
71.08651	1.8
71.61523	1.1
79.05044	2.0
79.05495	33.2
81.03423	3.8
81.07057	100.0
83.04981	1.7
83.08625	6.3
85.02888	0.9
85.06532	8.7
91.05479	23.2
91.80988	0.9
93.07049	32.4
95.04995	4.5
95.08612	20.7
95.09226	1.2
97.06522	2.0
97.10178	3.3
105.07041	12.7
107.08593	16.4
107.09271	1.6
109.06495	1.1
109.10152	8.3
111.08089	1.7
111.11730	1.2
117.07028	4.0
119.08575	11.8
121.06525	1.0
121.10152	13.6
123.08125	0.9
123.11726	11.9
131.08574	8.4
133.10143	15.2
133.11070	1.4
135.11700	6.5
143.08582	1.9
145.10153	5.6
147.11699	6.0
149.13290	3.9
151.11154	5.3
155.08549	1.1
157.10153	1.4
159.11714	5.6
161.13312	3.6
166.49548	0.9
169.10176	1.0
169.12271	2.5
173.13318	3.3
175.14821	1.7
185.13206	0.9
187.13289	7.4
187.14790	1.6
217.98303	0.8
227.16579	1.2
261.22186	2.9
317.24789	1.2
331.26483	1.0
340.60721	1.0
411.32639	2.7
428.17950	0.8
462.31873	0.9
485.36578	1.9
503.37399	70.2
504.13611	1.1
504.37787	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	503.3367
Annotation	Dianic acid
Peak:m/z	Relative Intensity
55.05497	10.4
57.03430	6.2
67.05499	20.7
67.18742	4.8
69.03410	5.2
69.07059	12.2
71.05014	4.5
74.23429	4.0
79.05482	24.1
79.07716	3.8
81.03478	5.2
81.06713	4.5
81.07074	46.1
83.05000	6.6
83.08610	8.0
88.67735	4.4
91.05466	27.2
93.07053	40.7
95.04959	19.0
95.08606	44.9
97.06532	6.5
97.10176	6.1
105.07037	51.0
107.04943	5.6
107.08591	51.6
109.06522	7.2
109.10159	18.5
111.08079	5.9
117.07021	6.8
119.08598	48.7
121.06580	9.1
121.10175	39.1
123.08065	14.8
123.11691	11.2
125.09644	9.2
129.06978	7.7
131.08582	22.4
133.10141	31.8
134.53192	4.2
135.08044	7.9
135.11697	17.4
137.09659	5.1
142.07709	5.3
143.08549	12.7
145.10124	46.5
147.07970	5.5
147.11685	19.2
149.09578	5.3
149.13261	9.5
157.10175	25.0
159.11745	35.9
161.09596	13.2
161.13240	14.1
163.11195	7.3
163.14853	25.0
169.10100	8.4
171.11687	13.6
173.13234	19.1
175.11206	9.4
175.14853	46.3
177.16406	48.2
185.13275	18.6
187.11186	7.7
187.14864	20.7
189.16380	15.4
191.14359	11.2
197.11731	22.2
197.13231	6.2
199.14868	13.1
203.14317	20.8
203.18079	6.0
205.15904	11.0
207.13737	4.6
209.13284	4.7
209.15294	4.9
211.14798	6.2
213.16373	11.3
215.14322	6.7
217.15837	11.5
221.15359	6.9
223.16920	5.2
231.13876	4.6
241.19498	5.7
245.15286	5.1
249.14919	12.5
255.21118	10.1
263.37100	4.5
267.15912	76.0
271.20554	7.6
299.06058	5.6
308.66385	4.2
391.29855	12.8
403.29843	11.4
409.31021	12.2
421.30994	33.8
437.30569	4.8
439.32281	27.1
449.30603	10.5
457.33078	39.5
467.31714	23.8
485.33221	22.9
503.33997	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3374
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.03949	0.6
55.01861	0.9
55.05515	2.2
56.05838	0.3
57.07063	0.4
58.25146	0.3
65.03941	2.2
67.05514	2.7
68.99796	0.4
69.03432	1.7
69.07081	2.0
70.76202	0.8
71.04983	0.5
77.03909	0.4
79.05486	3.3
81.03409	0.4
81.07063	6.2
83.04995	2.2
83.08617	1.2
85.02906	1.3
85.06528	0.5
91.05475	4.6
93.03364	0.3
93.07050	7.0
95.01337	0.5
95.04978	1.8
95.08033	0.6
95.08613	9.2
95.09219	0.5
97.02885	0.9
97.06544	1.9
97.10191	0.7
99.04492	0.4
103.05492	1.0
105.07033	13.0
107.04966	0.4
107.08600	10.1
108.33127	0.3
109.02869	0.5
109.06525	1.9
109.10167	4.5
111.04447	0.4
111.08090	1.1
115.05466	1.0
117.07008	2.1
119.04949	0.5
119.08587	16.7
121.02868	0.9
121.06528	2.1
121.10144	8.4
123.04388	0.5
123.08096	1.9
123.11703	1.7
125.09664	0.6
127.03958	1.0
128.06264	0.5
129.07042	1.6
130.07758	0.6
131.04959	1.3
131.08589	5.5
133.06516	0.6
133.07544	0.3
133.10129	8.9
135.04424	11.9
135.08069	2.5
135.11676	3.2
137.05966	0.7
137.09624	1.4
139.03912	0.5
139.07547	0.5
141.07013	0.8
142.07794	1.2
143.04895	0.5
143.08545	4.2
144.09337	0.7
145.06512	1.0
145.10130	8.6
147.04387	0.9
147.08054	1.5
147.11691	4.9
149.02350	58.8
149.09618	3.9
149.13251	1.6
150.02708	0.9
151.03917	0.9
151.07532	0.6
151.11186	0.8
153.01860	0.3
153.09076	1.0
155.08568	1.3
156.09326	1.0
157.10136	5.5
158.10890	0.7
159.08075	1.2
159.11700	6.6
160.08879	0.3
161.05980	0.6
161.09637	4.3
161.13249	4.0
163.07520	0.4
163.11174	2.9
163.14825	1.9
165.09120	0.7
167.10677	0.5
168.09380	0.5
169.10092	1.7
170.10931	0.9
171.08119	0.5
171.11687	3.9
173.06021	1.0
173.09669	1.4
173.13257	6.7
173.14644	0.5
175.07629	0.6
175.11237	2.1
175.14830	7.8
177.12701	0.3
177.16440	0.7
179.08809	0.3
179.10651	0.4
181.10086	0.5
181.12277	0.5
182.10892	0.7
183.11697	2.8
184.12505	0.3
185.09714	0.5
185.13275	4.4
187.11311	1.6
187.14835	3.7
189.05464	0.5
189.07022	0.3
189.12775	1.7
189.16382	9.6
191.08542	0.4
191.14273	1.7
191.17987	1.1
195.11740	1.0
197.13202	2.0
199.11195	0.4
199.14848	4.0
201.05450	0.5
201.12854	1.5
201.16396	1.8
201.18028	0.3
203.07057	0.8
203.14291	2.6
203.17990	0.4
205.12158	0.4
205.15930	0.9
207.13756	0.4
207.17477	0.6
207.31740	0.3
209.13390	0.8
209.15311	0.7
211.11148	0.3
211.14864	1.5
213.12744	2.7
213.16429	1.2
215.14304	2.1
215.17876	0.5
217.15910	4.4
219.06374	0.9
219.08105	0.8
219.13785	0.3
221.15425	0.5
223.14896	0.7
225.16402	1.0
226.83823	0.3
227.14272	0.7
227.17995	1.3
229.15880	1.2
229.19519	0.5
231.13780	2.3
233.15343	0.7
235.14842	0.5
235.16902	1.7
237.16362	0.6
239.18106	0.8
241.15974	0.3
241.19505	0.6
243.17451	0.6
243.21091	0.4
245.19090	0.3
247.07603	0.9
249.09200	0.6
249.14671	1.6
251.17949	0.4
253.19543	1.4
257.19070	0.5
263.17914	0.5
267.15839	2.9
267.20941	0.4
271.20609	1.3
273.18637	0.3
277.08591	0.8
279.20959	0.4
281.19135	0.4
285.22043	0.5
289.18137	0.4
299.20090	0.4
307.09573	2.0
307.20755	0.3
323.09122	4.5
325.10800	2.3
325.21622	0.5
341.10254	0.7
341.20975	0.3
385.28799	0.5
391.30106	0.9
403.29922	1.8
409.27087	0.4
421.30933	2.9
425.78415	0.3
431.29251	0.9
437.30466	3.2
439.32129	2.4
449.30533	3.4
457.33218	3.0
467.31589	8.3
485.32693	3.1
503.33691	100.0
504.33948	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.337
Annotation	CHEBI:67909
Peak:m/z	Relative Intensity
53.03942	1.3
53.51546	0.9
55.05500	3.6
56.96557	0.9
57.02253	0.9
57.03413	1.4
57.07051	1.6
67.05495	4.1
67.65891	0.9
69.07069	5.0
69.23440	9.0
72.05855	0.8
76.49004	1.0
78.41294	1.0
79.05493	4.4
81.07058	13.5
83.04945	1.0
83.08618	2.1
85.02852	0.9
87.04409	0.9
91.05468	6.1
93.06535	1.0
93.07055	10.0
94.94471	0.9
95.04953	1.6
95.08041	1.0
95.08611	13.8
97.06538	1.6
98.97562	2.0
105.07037	14.8
107.04978	1.0
107.08593	15.9
109.06516	4.7
109.10161	6.3
111.08087	1.1
117.07027	2.2
119.08587	26.6
121.06483	1.8
121.10187	9.3
123.08061	2.7
123.11652	1.8
131.08577	7.9
133.10135	15.2
135.08037	3.2
135.11716	4.4
137.09555	1.5
142.07776	1.1
143.08578	4.6
145.10139	13.4
147.08017	1.9
147.11707	8.1
149.09624	2.0
149.13277	4.4
151.11197	1.2
153.09128	0.9
155.08513	1.6
156.09315	2.1
157.10139	7.8
159.08000	1.1
159.11684	11.1
161.09612	2.3
161.13257	4.9
163.11157	2.0
163.14803	4.8
167.10760	1.0
168.09390	1.1
169.10112	3.5
170.10873	2.7
171.11656	6.1
173.09631	2.3
173.13333	7.1
175.11130	1.6
175.14830	21.8
177.12727	1.2
177.16359	8.3
179.08580	1.4
181.10149	1.7
181.12239	1.7
183.11679	4.0
185.13260	6.8
187.11136	1.8
187.14822	10.1
189.12697	1.8
189.16318	3.5
191.14278	1.3
193.15852	1.4
195.11703	2.0
197.13257	3.8
199.14790	3.8
201.12733	1.5
201.16423	7.5
203.12393	1.6
203.14325	33.4
203.18010	1.5
205.15863	6.6
211.14859	2.8
213.16362	3.1
215.14365	1.8
215.17917	1.3
217.15895	2.1
219.17528	1.0
221.13396	1.8
221.15321	6.4
223.14740	1.8
223.16833	1.1
225.16396	1.2
227.14397	1.0
227.18130	1.9
229.15848	1.2
231.17455	1.8
233.15364	2.1
235.16946	1.6
241.19386	1.4
243.21080	1.3
247.16922	3.5
249.14749	7.3
251.16382	1.6
253.19534	1.9
255.17714	0.9
255.21065	3.3
271.20462	1.1
307.24094	1.8
315.19626	1.2
333.90256	1.0
345.26025	1.1
363.26672	1.4
385.29022	1.3
387.25067	1.0
391.29843	2.3
397.05075	0.8
403.29791	3.7
411.32596	1.9
419.29330	1.3
421.31076	7.8
439.32114	14.8
449.30695	4.8
457.33167	100.0
458.33264	2.5
459.19232	1.0
467.31598	8.7
485.32288	3.9
503.28012	53.2
503.33884	5.2
504.28998	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	503.337
Annotation	CHEBI:69363
Peak:m/z	Relative Intensity
55.05514	4.6
57.07061	2.5
63.38737	1.7
67.05499	7.2
69.03420	3.2
69.07066	4.5
70.04628	8.0
71.05022	2.0
79.05487	10.0
81.07061	16.3
83.08639	2.1
91.05485	9.5
93.07049	17.3
95.04963	1.8
95.08617	21.9
97.06538	8.4
105.07047	26.9
107.08602	18.5
107.16878	1.8
109.06493	4.6
109.10144	12.0
117.07025	3.2
119.08605	32.7
121.06510	3.4
121.10151	14.5
123.08081	4.4
125.09660	2.8
129.06996	4.3
131.08554	12.6
133.10130	24.6
135.08061	4.7
135.11703	7.9
137.09642	2.3
141.06932	2.6
142.07805	2.4
143.08545	8.6
145.10139	19.7
147.08095	3.3
147.11670	13.1
149.09592	2.9
149.13268	3.9
155.08629	3.4
156.09349	2.7
157.10130	12.7
159.08034	2.8
159.11720	16.3
161.09624	4.7
161.13258	7.2
161.26303	1.8
162.17299	1.9
163.11205	2.7
163.14899	3.8
168.09259	2.0
169.10217	3.5
170.10899	4.2
171.11702	6.0
173.09637	2.6
173.13281	16.5
175.11238	2.1
175.14836	14.2
177.12729	2.0
177.16371	3.6
183.11736	5.4
185.09702	2.0
185.11839	2.2
185.13246	12.0
187.11240	2.5
187.14813	15.6
189.16399	9.4
191.14375	2.7
191.17886	2.8
195.11653	2.6
197.13275	7.6
199.14835	6.6
201.12762	5.5
201.16458	4.7
203.14230	4.3
205.15900	2.0
209.13289	4.2
211.14822	4.8
213.12726	14.6
213.16400	4.0
215.14299	6.2
215.17943	2.4
217.15894	2.8
223.14690	2.9
227.14372	3.5
231.13838	7.9
233.15390	2.3
237.16418	2.8
251.17958	2.1
269.18848	2.3
289.19174	2.9
299.20169	2.5
357.24286	3.9
385.28879	3.3
403.29892	6.4
421.31076	10.6
431.29526	4.1
437.30527	24.7
439.32410	2.7
449.30527	59.9
455.31470	4.3
457.32886	3.3
467.31613	100.0
468.31873	4.3
485.32660	67.4
503.33536	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	503.3371
Annotation	Dianic acid
Peak:m/z	Relative Intensity
53.03928	0.4
55.05505	2.0
57.03443	0.4
57.07063	0.6
66.52356	0.3
67.05505	3.5
69.03419	1.2
69.07072	2.6
69.50591	2.4
71.04995	0.5
79.05494	3.2
80.21049	0.3
81.03413	0.5
81.07057	6.6
83.04969	2.2
83.08594	1.5
85.06526	0.5
91.05470	4.7
93.07051	7.5
93.48434	0.3
95.04972	2.6
95.08611	9.3
97.06540	1.9
97.10191	0.9
103.05437	0.3
105.07030	14.3
107.04950	0.5
107.08595	10.8
109.06516	2.0
109.10172	3.0
111.08097	1.0
113.09653	0.3
117.07026	1.9
119.08582	17.1
120.29141	0.3
121.06512	1.7
121.10145	7.6
123.08055	1.9
123.11701	1.1
124.11208	0.7
125.09622	0.6
128.06277	0.6
129.07024	1.3
130.07780	0.6
131.08572	6.6
133.06477	0.5
133.10135	8.5
135.08049	2.4
135.11674	2.9
137.06001	0.3
137.09630	1.5
139.07552	0.5
139.11160	0.6
141.06946	0.6
142.07787	1.1
143.08568	4.7
145.06526	0.4
145.10123	8.6
147.08102	1.8
147.11693	6.0
149.05948	0.5
149.09618	3.3
149.13280	1.6
151.07573	0.5
151.11215	0.4
153.09106	1.0
155.08539	1.6
156.09415	1.5
157.10124	5.6
158.10875	0.4
159.08057	0.9
159.11690	5.8
161.09613	4.5
161.13245	4.3
163.07545	0.4
163.11169	2.4
163.14830	2.9
163.16100	0.4
164.89665	0.4
165.12810	0.5
167.05795	0.3
167.10693	0.5
169.10133	1.9
170.10910	0.8
171.08072	0.3
171.11679	3.8
173.09695	1.2
173.13266	7.6
175.07561	0.3
175.11304	1.7
175.14821	8.3
175.16240	0.6
177.09105	0.5
177.12682	1.0
177.16348	1.6
179.10556	0.3
181.10194	0.5
181.12146	0.6
182.10916	0.5
183.11699	2.8
185.13264	4.4
187.11194	0.9
187.14841	4.6
189.12770	2.6
189.16389	11.7
191.14320	2.5
191.18050	0.8
195.11714	1.0
197.13278	3.0
199.11139	0.6
199.14795	4.8
201.12753	1.9
201.16347	2.1
203.14314	3.2
203.18019	0.5
205.12274	0.4
205.15927	0.9
207.11717	0.3
207.13713	0.6
207.17389	0.5
209.13499	0.4
209.15401	1.1
211.14905	1.8
213.12738	2.2
213.16342	1.6
215.14369	2.0
215.17976	0.8
217.15884	6.8
219.13849	0.6
221.15356	0.6
223.14929	0.4
225.12872	0.5
225.16415	0.9
227.14349	0.8
227.17987	1.3
229.15948	1.2
229.19580	0.7
229.28773	0.3
231.13805	2.8
231.17480	0.6
233.15326	0.9
235.16922	1.9
239.18034	0.9
241.16000	0.5
241.19652	0.6
243.17438	0.5
245.19020	0.4
247.16869	0.5
249.14787	1.7
251.18018	0.6
253.19633	1.9
255.21008	0.4
257.19000	0.6
267.15869	2.2
267.21057	0.7
271.20673	2.7
273.18585	0.4
299.20105	0.4
319.24405	0.4
324.10916	0.4
339.23108	0.5
369.24536	0.4
373.29037	0.4
375.30612	0.4
385.28696	0.5
391.30011	1.3
403.30020	2.6
419.29446	0.7
421.31009	3.0
431.29349	0.8
437.30676	2.1
439.32245	3.0
449.30515	3.1
457.33221	4.9
467.31683	6.2
467.37912	0.2
485.32623	3.1
503.33698	100.0
504.33975	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	503.2822
Annotation	Ile Lys Gln Asp
Peak:m/z	Relative Intensity
55.05509	1.1
56.96552	1.0
57.03444	0.7
57.07064	0.6
60.05964	0.4
67.05511	2.3
69.03415	0.6
69.07062	0.5
69.23666	0.5
69.23972	4.9
69.26344	0.4
75.60600	0.5
79.05496	1.3
81.07072	2.8
87.04397	0.5
89.46230	0.4
91.05483	1.3
93.07022	2.1
95.04967	1.1
95.08611	1.8
97.02905	1.1
97.87088	0.4
98.20695	1.0
98.97583	0.7
101.00895	1.1
105.07034	1.7
107.08598	1.3
109.06506	0.4
109.10177	1.2
113.00896	0.7
115.02523	0.4
116.98608	0.4
117.07005	0.4
119.01945	1.4
119.08595	2.3
121.10146	1.3
131.01900	1.2
131.08566	1.2
133.10164	1.3
135.11731	0.9
136.02469	0.5
137.06003	1.3
143.01871	0.5
143.08572	0.5
145.03461	1.6
145.10118	1.4
147.11678	1.2
149.13260	0.6
154.99977	0.5
155.01918	1.5
157.03505	1.0
157.10155	0.9
159.11708	1.3
161.09705	0.6
161.13286	1.0
173.02977	1.3
173.13292	0.7
175.14798	1.0
177.16548	0.6
185.02988	1.0
187.14792	0.9
194.38252	0.5
212.94212	0.5
215.04124	0.6
219.01651	0.6
243.98006	0.6
260.12906	1.1
299.06415	0.6
387.20538	1.1
389.23981	3.3
407.24969	1.0
435.36786	0.5
439.31888	1.0
457.33057	1.3
467.31509	1.2
473.26068	1.1
485.32779	1.0
503.28253	100.0
504.28537	2.4
519.24530	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38828	0.6
52.69795	0.6
55.90638	0.6
59.04998	0.8
69.03433	0.9
69.53144	0.5
70.06602	1.2
70.17349	2.6
73.02893	0.7
73.06554	2.1
84.08148	0.8
85.02889	0.8
86.09717	1.5
87.04475	9.5
89.06033	100.0
90.06390	0.6
95.06792	0.6
97.02898	0.8
98.21508	0.7
107.07098	1.6
117.09133	1.7
127.03934	1.7
131.07054	2.1
133.08603	51.1
149.09639	0.8
153.01849	3.5
173.13271	1.4
175.09744	1.4
177.11217	12.7
205.04578	0.7
207.04741	0.8
221.13795	1.1
235.84827	0.6
303.01663	0.8
346.42816	0.7
358.96622	0.7
494.12570	0.7
498.20084	0.6
503.14282	4.3
503.21387	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.337
Annotation	Saponaceolide B
Peak:m/z	Relative Intensity
51.33874	6.3
53.03944	7.6
54.28773	6.2
55.05500	23.5
67.05500	30.0
69.03448	11.2
69.07059	25.3
69.90733	26.6
79.05489	31.3
81.03411	8.1
81.07059	47.5
83.04986	13.9
83.08616	11.8
85.06533	12.0
91.05474	32.2
91.28059	7.4
91.93281	6.8
93.07042	39.8
95.04954	21.0
95.08613	59.0
97.02905	8.1
105.07042	66.2
107.04967	8.0
107.08615	49.6
109.06506	13.8
109.10156	31.6
111.11722	9.6
115.05444	9.2
117.07009	19.7
119.08587	100.0
121.06493	15.5
121.10139	37.6
123.08076	13.7
123.11729	16.4
129.07002	10.6
131.08568	38.5
133.10120	58.8
135.08089	14.7
135.11688	18.8
137.05974	10.9
137.09731	7.1
139.77776	6.6
143.08542	28.6
145.10144	51.2
147.04419	13.6
147.08064	11.2
147.11714	29.5
149.02306	9.0
149.09628	14.0
149.13225	9.3
151.07463	10.1
155.08575	10.4
156.09360	11.2
157.10132	26.6
159.08098	8.2
159.11713	46.7
161.09576	14.2
161.13290	19.7
163.11139	8.7
163.14853	17.7
165.09161	8.5
167.05553	8.9
169.10167	12.0
171.11728	25.4
173.13326	36.2
175.11200	12.9
175.14883	40.3
177.12831	9.2
177.16397	19.7
181.10175	8.0
185.13213	20.7
187.14842	30.7
189.12784	15.9
189.16423	21.1
191.14441	12.2
195.11713	8.7
197.13234	12.6
199.14716	15.2
201.16473	36.0
203.14276	33.1
205.15892	9.1
211.14792	9.9
215.14337	10.6
215.18048	9.5
217.16017	8.9
219.13875	7.6
222.39888	8.0
227.14267	9.6
233.15315	9.8
247.16862	11.4
267.15955	20.6
305.08481	17.3
341.17487	8.4
403.29761	21.3
421.31003	35.0
437.30792	11.4
439.31641	24.7
439.41751	7.2
449.30655	10.8
457.33142	45.4
467.31769	13.4
485.32489	10.6
503.24435	38.6
503.32687	38.6
521.60370	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	503.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78864	3.0
55.05515	3.1
56.51822	3.0
57.40469	3.0
60.40268	3.0
61.84591	3.0
67.05503	11.6
69.03436	9.7
70.63665	7.7
70.64038	6.1
71.05014	6.1
75.46678	3.2
77.20900	2.9
78.14653	3.2
78.69240	2.9
79.05501	6.4
81.03425	3.4
81.07046	3.9
83.04958	4.2
83.08686	3.9
83.88326	3.2
85.02899	10.5
85.06540	7.0
87.29888	3.0
89.06033	33.9
89.49803	3.6
91.05454	6.1
91.35640	3.2
95.04973	7.3
95.08610	39.3
97.02907	11.3
103.05434	3.2
105.07035	14.6
107.08611	5.8
109.06557	6.8
115.05482	6.4
117.90089	3.0
119.08591	11.0
121.06587	4.1
121.10179	6.2
122.03660	7.8
123.08090	13.4
127.03980	7.8
130.70329	3.4
131.08635	3.9
133.06458	5.2
133.10132	9.4
134.95724	3.2
135.06532	9.2
135.11684	4.4
137.05980	100.0
147.08069	4.8
147.11719	8.2
149.09634	54.3
153.01851	23.8
156.05757	3.8
161.06020	12.6
161.13271	9.2
163.11288	4.6
171.11732	3.5
173.13359	3.7
175.07547	31.9
187.07594	8.9
189.12692	16.9
191.08572	5.2
191.14407	4.2
199.07573	10.7
203.08641	5.7
207.13824	76.6
219.08049	11.9
231.08121	5.9
232.08800	4.7
247.07541	5.4
248.08369	5.8
251.10718	15.1
259.07599	5.2
260.08490	3.9
279.10135	10.4
291.10141	12.3
292.10730	3.6
295.13623	3.8
311.12778	22.2
323.12784	17.5
341.13788	6.0
439.26160	3.1
503.20099	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	503.2491
Annotation	Eriojaposide A
Peak:m/z	Relative Intensity
53.86462	5.1
61.88472	5.8
62.08642	5.1
62.30739	5.7
69.03419	11.6
70.06586	15.6
71.57067	7.1
81.07055	7.9
85.02914	14.2
97.02895	6.5
97.60059	5.2
107.08595	8.7
109.02851	5.6
121.10186	13.3
123.33741	5.5
135.04427	6.6
137.05956	6.9
137.09641	7.3
147.54004	5.8
151.11205	11.4
153.01842	9.6
165.12744	28.0
191.14314	12.9
203.86397	5.7
209.15352	100.0
238.58913	5.7
238.84451	5.2
275.40170	5.1
310.49072	5.6
318.08530	6.3
447.02112	5.6
503.19858	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	503.2491
Annotation	Platanionoside F
Peak:m/z	Relative Intensity
67.05502	10.8
67.22938	7.6
69.03428	16.9
69.07050	9.9
70.06594	12.6
70.85121	20.1
73.09035	7.6
78.38739	7.6
79.05476	13.9
81.03421	10.7
81.07057	14.0
83.04978	18.4
89.06025	24.9
91.65967	7.4
93.07022	8.7
95.08614	23.2
97.02882	12.5
99.08118	8.4
105.07026	16.6
107.04900	8.0
107.08599	21.3
109.10165	16.3
121.10152	33.9
125.09636	11.8
127.03914	16.1
133.08627	11.1
133.10161	21.9
135.08064	12.9
135.11662	9.4
143.45015	8.5
147.14284	9.7
149.09630	13.9
149.13347	11.2
151.11180	79.9
153.01839	17.2
163.14813	17.9
173.13370	19.5
191.14311	67.8
206.04694	11.1
209.15361	100.0
305.29886	9.4
503.20306	45.9
503.27081	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	503.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78864	3.0
55.05515	3.1
56.51822	3.0
57.40469	3.0
60.40268	3.0
61.84591	3.0
67.05503	11.6
69.03436	9.7
70.63665	7.7
70.64038	6.1
71.05014	6.1
75.46678	3.2
77.20900	2.9
78.14653	3.2
78.69240	2.9
79.05501	6.4
81.03425	3.4
81.07046	3.9
83.04958	4.2
83.08686	3.9
83.88326	3.2
85.02899	10.5
85.06540	7.0
87.29888	3.0
89.06033	33.9
89.49803	3.6
91.05454	6.1
91.35640	3.2
95.04973	7.3
95.08610	39.3
97.02907	11.3
103.05434	3.2
105.07035	14.6
107.08611	5.8
109.06557	6.8
115.05482	6.4
117.90089	3.0
119.08591	11.0
121.06587	4.1
121.10179	6.2
122.03660	7.8
123.08090	13.4
127.03980	7.8
130.70329	3.4
131.08635	3.9
133.06458	5.2
133.10132	9.4
134.95724	3.2
135.06532	9.2
135.11684	4.4
137.05980	100.0
147.08069	4.8
147.11719	8.2
149.09634	54.3
153.01851	23.8
156.05757	3.8
161.06020	12.6
161.13271	9.2
163.11288	4.6
171.11732	3.5
173.13359	3.7
175.07547	31.9
187.07594	8.9
189.12692	16.9
191.08572	5.2
191.14407	4.2
199.07573	10.7
203.08641	5.7
207.13824	76.6
219.08049	11.9
231.08121	5.9
232.08800	4.7
247.07541	5.4
248.08369	5.8
251.10718	15.1
259.07599	5.2
260.08490	3.9
279.10135	10.4
291.10141	12.3
292.10730	3.6
295.13623	3.8
311.12778	22.2
323.12784	17.5
341.13788	6.0
439.26160	3.1
503.20099	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	503.1913
Annotation	Phellodensin F
Peak:m/z	Relative Intensity
51.02371	0.9
52.94462	1.0
53.03943	1.9
55.01845	1.2
55.05507	3.4
67.05510	5.3
69.03432	6.7
69.07063	2.3
70.06577	1.2
71.21533	2.4
77.21164	0.9
79.01856	5.6
79.05493	4.2
81.03427	6.3
81.07042	2.5
83.04975	4.1
85.02905	3.3
85.06527	1.2
86.82685	1.0
91.05468	5.2
93.07051	5.1
95.04980	3.0
95.08609	10.7
97.02882	5.6
99.04433	1.4
103.05476	1.0
105.07053	10.2
107.01317	2.5
107.08587	4.1
109.02860	6.0
109.06505	2.6
109.77509	0.9
117.07048	1.2
119.04973	1.6
119.08588	15.0
121.06509	1.8
121.10141	4.4
123.00866	1.2
123.08067	5.1
125.02351	3.9
127.03904	8.6
127.58654	1.0
131.08551	3.6
133.06497	2.4
133.10124	6.8
135.08095	4.8
135.11673	4.9
137.05974	2.1
137.09610	1.4
141.07042	1.2
142.07726	1.2
143.03406	7.0
145.06451	1.3
145.10162	1.5
147.08028	6.4
147.11691	7.9
149.09602	7.7
151.11147	1.9
153.01831	100.0
153.02913	5.6
154.02116	1.3
155.08592	1.2
156.09358	3.7
159.08075	2.0
159.11795	1.8
160.08887	1.3
161.05798	1.2
161.09692	1.6
161.13263	7.6
163.11276	1.2
163.37326	1.1
168.05736	1.2
169.06462	1.7
171.02902	7.4
171.11668	5.4
174.10432	2.7
179.03404	5.2
183.02908	1.9
183.08089	4.1
187.11266	1.4
189.12755	19.1
191.14363	2.4
193.04921	1.3
195.02846	1.2
195.08055	1.4
197.05988	1.8
197.09637	1.5
199.11118	1.3
205.04953	2.4
207.02882	3.1
207.13818	4.4
209.04312	1.8
211.07518	7.2
225.09119	2.4
229.08618	2.8
239.06984	9.4
242.05811	1.7
243.06538	1.8
253.08549	1.8
256.07202	1.3
257.04547	1.0
257.05411	1.4
257.08099	14.3
259.05975	2.4
270.08838	1.2
271.06049	3.0
271.09695	3.5
273.07593	2.6
277.12289	2.2
279.04855	1.7
280.10910	1.4
281.08066	1.4
285.07632	9.5
293.08173	1.7
295.13287	2.1
297.06058	4.1
297.14777	1.9
298.08560	1.6
299.09164	5.2
299.12723	3.1
305.11600	1.4
308.10397	2.9
311.09283	1.5
313.14255	6.1
323.12766	10.3
326.11536	1.9
333.17114	1.2
341.13849	60.0
351.18060	2.4
359.15002	4.6
485.17987	1.3
503.18756	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	503.2464
Annotation	Gln Asn Leu Glu
Peak:m/z	Relative Intensity
55.05499	1.7
57.07064	1.0
58.20102	0.4
59.05015	1.9
67.05489	1.7
69.03417	1.6
69.07068	14.5
69.61819	1.9
69.62230	1.0
70.07390	0.6
71.04983	0.5
71.08597	0.5
73.06544	0.9
79.05508	1.0
80.34320	0.4
81.03156	1.1
81.07050	2.0
83.08620	1.0
85.02906	2.3
85.06567	0.9
85.10133	0.4
86.09693	0.4
91.05477	1.0
93.07027	1.7
95.04961	0.6
95.08591	2.2
96.36314	0.4
97.02891	0.7
97.10120	0.5
98.20741	0.9
98.97567	0.6
103.05488	0.6
105.07005	2.3
107.08591	1.8
109.02897	0.9
109.06522	0.8
109.10155	1.1
111.11716	6.7
117.07021	0.7
119.04931	0.5
119.08588	2.2
120.51809	0.4
121.06541	0.5
121.10156	1.2
127.03677	7.0
129.12758	3.2
131.04935	0.8
131.08549	1.4
133.10121	1.4
135.08020	0.6
135.11696	1.3
137.05972	1.1
137.09622	0.5
143.08572	0.4
145.10124	1.4
147.04445	0.5
147.11668	0.7
149.02309	0.4
149.09608	0.9
151.07520	0.6
153.01842	0.5
157.10225	0.5
159.08063	0.5
159.11745	1.3
161.13280	0.7
163.14755	0.5
165.09169	1.1
171.11728	0.8
173.13239	1.3
175.14792	0.9
183.11656	0.5
185.04207	5.8
187.11176	0.5
187.14810	0.8
191.10634	0.6
192.11069	0.5
203.05257	22.2
209.11897	0.5
210.12067	0.7
215.14320	0.4
217.15869	0.5
227.12823	1.4
228.13208	1.5
259.71298	0.4
289.08939	15.7
294.66272	0.4
399.19931	6.2
417.20886	0.5
439.32166	0.5
457.33417	0.7
467.31638	1.1
485.32614	1.4
503.24658	100.0
503.32520	5.3
504.24927	2.1
523.92523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.4
55.01867	3.1
57.03425	3.3
59.04981	0.8
61.02920	3.3
65.42066	0.9
69.03064	1.2
69.03432	17.8
71.04996	6.5
71.50105	1.4
73.02917	1.9
81.02971	1.4
81.03420	21.6
85.02908	16.7
91.03954	1.2
97.02900	8.0
99.04468	6.0
109.02898	2.7
127.03912	3.5
133.07625	3.9
134.05943	0.8
142.04132	0.7
145.04947	3.8
149.09637	1.7
153.01765	1.1
160.07597	1.0
161.07115	6.1
163.08670	5.3
167.05615	0.9
167.10751	0.9
173.03224	0.7
178.07379	1.1
179.08191	1.5
182.94705	0.7
189.06639	5.2
191.08200	4.8
207.07658	100.0
208.07907	1.3
216.88799	0.7
219.07658	0.7
245.09375	0.9
249.08711	0.9
284.74249	0.8
287.10355	1.1
305.11362	3.1
323.12387	39.2
341.13449	99.2
342.13785	1.2
500.99335	0.9
503.17117	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.6
53.00309	0.4
53.03946	0.8
53.34851	0.3
55.01861	0.9
55.05504	1.2
57.03432	0.5
63.07880	0.3
65.03941	3.4
67.05497	1.4
68.99783	1.1
69.03430	1.5
69.07063	1.8
70.96449	0.8
71.04982	0.6
79.05118	0.3
79.05505	2.5
81.07059	3.6
83.04974	1.2
83.08640	0.6
85.02905	2.2
86.36657	0.3
87.04469	0.4
91.05459	2.9
93.03410	0.5
93.07037	4.7
95.01331	1.2
95.04961	1.4
95.08607	5.1
97.02903	0.9
97.06530	1.1
103.05450	1.4
105.07034	9.6
107.04903	0.5
107.08599	6.7
109.02863	0.4
109.06528	1.1
109.10151	1.9
111.08076	0.5
115.05467	1.2
117.07043	1.4
119.04923	0.3
119.08583	12.2
121.02855	1.4
121.06525	1.0
121.10155	4.4
123.04411	0.4
123.08070	1.0
123.11711	0.7
125.02382	0.4
127.03906	0.5
128.06262	0.4
129.07013	0.9
131.04929	2.5
131.08565	4.0
133.02823	0.7
133.10138	5.9
135.04424	19.7
135.08055	1.7
135.11691	1.5
137.06018	0.5
137.09613	1.3
139.03894	0.6
141.06935	0.4
142.07767	0.8
143.08554	2.5
144.09319	0.5
145.06490	0.9
145.10135	5.3
147.04439	0.7
147.08083	0.8
147.11681	3.4
149.02347	100.0
149.09601	2.7
149.13283	0.9
150.02708	1.0
151.03897	1.4
151.07564	0.4
151.11154	0.6
153.09065	0.8
155.08559	0.7
156.09348	0.5
157.10147	4.5
158.10907	0.4
159.04430	1.1
159.08073	0.8
159.11703	4.3
161.06003	1.0
161.09627	2.5
161.13251	3.1
163.11215	1.2
163.14865	1.2
165.05458	0.4
165.06976	0.4
165.09105	0.3
167.10597	0.5
169.10143	1.1
170.10905	0.6
171.11707	2.2
173.05974	1.9
173.09647	0.6
173.13271	5.0
175.07544	0.5
175.11237	1.0
175.14830	6.5
177.12770	0.5
177.16356	0.6
181.12227	0.5
183.11662	1.0
185.06050	0.6
185.13251	2.4
187.03941	0.6
187.11203	0.5
187.14839	3.6
189.05495	1.3
189.12762	1.9
189.16379	9.6
191.08377	0.7
191.14360	1.5
191.18063	0.6
195.11771	0.4
197.13231	1.8
199.14810	3.3
201.05476	1.1
201.12790	1.2
201.16428	1.5
203.07045	1.3
203.10719	0.3
203.14301	1.7
205.15913	0.7
207.17398	0.4
209.13333	0.5
209.15413	0.4
211.14841	1.4
213.12761	1.5
213.16452	1.3
215.14349	1.4
217.15884	4.8
219.06219	1.6
219.08321	1.9
219.13747	0.4
221.13370	0.5
223.14946	0.5
225.16495	0.6
227.14264	0.3
227.17928	1.1
229.15863	0.9
231.13828	1.1
231.17476	0.7
233.15520	0.3
235.07582	0.4
235.15028	0.4
235.16939	2.0
241.15845	0.5
241.19530	0.6
243.17624	0.5
247.07581	0.8
249.09200	0.7
249.14923	1.2
251.18036	0.5
253.19554	1.4
257.19040	0.4
261.14819	0.4
267.16010	1.3
271.20612	1.8
277.08661	1.0
295.09595	0.5
297.22226	0.3
306.84534	0.3
307.09576	3.5
323.09146	8.6
324.09363	0.4
325.10675	3.7
341.10254	1.4
357.53970	0.4
385.28635	0.5
391.29996	0.9
403.29959	1.5
419.29721	0.7
421.31039	2.4
431.29556	0.4
437.30640	1.5
439.32059	1.8
449.30664	2.5
457.33228	3.4
467.31589	5.2
485.32709	2.0
503.33698	71.7
504.34241	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.9
55.36203	2.7
57.03444	16.3
57.07082	31.4
65.06773	2.9
67.05510	78.3
69.07053	6.2
71.08639	19.5
71.21173	5.6
73.04739	2.9
75.78036	2.6
81.07066	19.2
83.08616	13.4
85.10199	15.5
87.45257	2.8
91.05455	3.0
94.70127	3.1
95.08615	21.1
103.91708	2.9
105.06664	2.5
109.10169	72.0
119.08585	7.1
137.09621	3.7
155.10664	4.7
173.11742	25.0
229.14372	98.5
239.23836	3.3
299.06277	5.7
313.27374	100.0
467.37454	56.3
502.37476	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	503.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.5
57.03435	0.9
61.02937	1.4
65.03978	0.7
65.61057	0.5
67.05489	0.7
68.89463	0.5
69.03433	6.4
69.71481	3.4
70.06579	1.0
73.02927	1.0
73.40952	0.6
77.03951	0.5
79.05489	0.7
81.03416	2.7
81.07031	0.7
83.01326	0.6
85.02910	10.3
87.04480	1.9
93.52525	0.6
95.04996	1.4
97.02889	4.1
98.20795	0.6
99.04462	0.8
105.03373	0.8
105.07062	1.3
107.08583	0.7
109.02869	1.1
115.05459	1.3
117.07041	0.9
118.49574	0.6
119.08630	0.8
121.02898	0.7
123.04438	100.0
127.03943	3.5
128.93880	0.5
131.04951	0.9
133.06493	4.4
133.10193	0.6
135.04427	12.9
137.02330	1.4
137.06021	0.6
143.04971	2.9
145.04945	1.4
147.04463	1.2
147.11826	0.6
149.02353	18.8
153.01836	5.6
161.05923	0.8
161.09596	0.6
173.05992	2.3
189.05486	1.1
189.12781	1.2
191.07054	0.6
201.05533	2.4
203.07042	4.6
275.07114	0.6
311.09131	14.5
341.10190	11.8
473.14392	5.4
503.15399	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	501.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13514	9.1
55.05507	28.1
67.05497	33.5
69.07046	26.0
71.61706	7.9
74.43546	9.2
79.05499	31.0
81.07068	49.4
83.05016	10.1
83.08609	9.6
91.05472	32.4
93.07049	54.0
94.22529	9.3
95.08614	79.7
97.06487	9.4
97.52875	12.7
105.07051	66.6
106.20296	10.0
106.45694	10.2
107.08603	66.9
109.10161	38.5
111.08121	9.6
117.07009	20.6
119.08570	88.2
121.10113	55.7
123.08038	11.5
123.11698	14.5
131.08560	42.7
133.10121	76.5
135.07976	9.6
135.11694	20.3
142.07764	14.1
143.08517	34.2
145.10124	74.2
147.11690	50.1
149.13243	21.1
157.10086	38.1
159.11665	54.7
161.13258	45.8
163.14845	22.2
171.11687	32.5
173.13298	63.2
175.11198	13.6
175.14844	80.3
177.16408	66.5
183.11671	18.1
185.13237	33.2
187.14818	100.0
189.16382	74.4
193.15877	11.0
197.13255	14.1
199.14835	17.2
201.16371	37.9
203.14354	13.8
203.17940	29.9
205.15913	11.6
213.16396	31.5
215.17937	10.5
227.17856	11.2
229.15964	18.3
231.17384	35.1
247.16853	19.3
249.18510	51.4
267.19650	30.3
283.19974	11.2
350.51151	9.2
387.30737	10.0
405.31497	52.9
409.30817	13.7
423.32782	54.9
430.94843	9.3
441.33841	53.4
451.32379	10.2
465.33484	42.9
501.35858	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	502.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79644	1.0
57.03440	7.1
59.04999	1.7
61.02926	1.1
67.05506	2.2
69.03436	27.4
69.07081	1.5
71.01391	0.9
71.04996	1.4
81.03414	2.5
81.07068	1.7
85.02903	19.9
87.04472	18.5
87.04955	1.6
91.05494	2.2
93.07081	1.3
95.08618	1.6
97.02903	24.4
97.03504	1.5
98.06072	4.8
98.97614	2.6
99.04479	1.2
101.02345	1.1
105.07053	2.2
107.08612	2.1
109.02908	1.2
109.10152	2.4
115.03936	31.7
117.07056	1.0
119.04993	1.1
119.08621	4.6
121.10133	1.8
127.03959	3.5
127.11195	0.9
129.07042	1.1
131.05000	1.0
131.08575	8.7
133.04971	32.8
133.05969	1.6
133.10109	1.8
137.06001	1.5
137.09677	1.5
139.78520	0.9
140.10747	1.1
143.08522	4.7
144.09314	2.0
145.04982	2.9
145.10127	9.6
147.04471	1.9
150.07591	6.7
157.10147	1.9
158.10902	6.8
158.12006	12.1
171.11752	3.5
173.13271	100.0
174.13678	1.8
179.07108	1.1
182.11020	2.3
183.11726	1.7
185.13226	6.3
187.14896	3.9
197.13379	3.3
215.14331	12.6
215.15889	1.0
233.15414	2.4
239.14290	4.8
241.07169	1.6
241.16008	1.3
259.08191	2.0
269.15463	1.9
277.09204	1.3
295.10321	1.2
299.16580	2.0
305.17526	4.6
445.56094	0.9
453.17728	1.0
485.32813	0.9
502.20639	32.4
502.31702	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	501.3577
Annotation	Serjanic acid
Peak:m/z	Relative Intensity
55.05510	5.7
57.03430	3.8
59.04993	0.9
65.03947	1.7
67.05510	8.8
69.07066	4.9
71.05026	0.8
71.46885	1.0
79.05497	11.4
81.03429	1.1
81.07056	11.4
83.04984	3.7
83.08624	3.5
91.05475	7.4
93.07046	12.9
95.04955	2.0
95.08618	14.5
97.06525	1.3
105.07038	10.5
107.08604	10.5
109.06492	1.4
109.10161	5.9
111.08099	1.1
117.07044	2.5
119.08587	14.9
121.06530	1.5
121.10152	13.8
123.08086	1.4
123.11728	3.0
129.07028	1.5
131.08549	5.1
133.10130	8.1
135.08035	1.4
135.11720	6.0
139.07512	0.9
139.11191	1.5
141.06987	0.9
143.08586	3.8
145.10124	8.5
147.11671	5.0
149.09657	1.9
149.13283	3.6
151.11243	0.9
155.08624	1.4
157.10164	3.4
159.11731	4.3
161.09633	3.0
161.13277	3.3
163.11255	1.6
163.14845	1.8
167.10661	1.5
169.10167	1.9
171.11749	3.5
173.09689	1.1
173.13261	5.4
175.11205	1.1
175.14835	6.7
177.09219	1.5
177.16414	3.0
181.10172	1.1
183.11674	1.9
185.13322	2.1
187.14816	4.6
189.12761	2.9
189.16371	13.4
197.13324	2.9
197.77205	0.9
199.14836	1.9
201.12869	1.2
201.16376	1.4
205.15910	1.6
215.14322	3.5
217.15862	4.1
225.16534	1.2
227.18004	2.0
233.15434	1.8
235.17001	1.1
243.17645	0.8
243.20993	1.3
249.18520	1.0
251.16454	3.7
253.19618	1.0
271.20676	2.7
311.23648	1.3
405.31311	3.9
409.31070	1.2
423.32562	3.3
441.33633	42.9
465.33780	1.3
483.34879	1.8
501.35791	100.0
502.36371	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	501.3215
Annotation	Officinalic acid
Peak:m/z	Relative Intensity
55.05518	0.7
57.07077	0.4
67.05498	1.0
68.64971	0.3
69.03432	0.6
69.07066	1.6
70.27291	1.4
71.17149	0.3
73.71843	0.3
79.05496	0.9
81.07063	2.6
83.08580	0.5
85.06531	0.5
85.17789	0.3
85.41399	0.3
91.05481	1.8
93.07054	3.0
95.04991	0.6
95.08608	2.8
97.10165	0.4
99.06486	0.4
105.07029	6.6
105.54802	0.3
107.08598	2.9
109.02908	0.3
109.06531	0.6
109.10165	1.0
115.36420	0.4
117.07023	1.4
119.08591	6.5
121.06541	0.4
121.10134	2.8
123.11728	0.5
126.54812	0.4
128.06241	0.6
129.07056	0.6
130.07835	0.5
131.08578	2.6
133.10135	4.1
135.08046	1.7
135.11717	0.9
137.09714	0.4
141.06958	0.4
142.07765	0.4
143.08556	3.0
144.09358	0.7
145.10120	5.0
147.08083	1.0
147.11667	1.9
149.09656	0.5
149.13289	1.2
155.08575	0.5
156.09346	3.5
157.10153	2.6
159.08116	0.7
159.11710	6.8
161.09647	1.1
161.13281	1.3
163.11247	0.8
163.14870	1.1
168.09389	0.4
169.10147	1.1
171.08040	0.9
171.11681	5.4
173.09712	0.7
173.13266	3.1
175.11269	0.7
175.14864	4.2
177.12743	3.9
177.16399	0.8
181.10144	0.5
182.11032	0.4
183.11685	1.9
185.09619	1.3
185.13289	1.7
187.11230	1.2
187.14900	1.7
189.09164	0.7
189.12738	1.9
189.16435	2.1
195.11763	1.2
197.13287	1.3
199.11140	1.9
199.14731	0.5
201.12762	1.0
201.16434	0.6
203.14369	0.7
207.11690	0.4
209.13263	1.0
211.11205	1.6
211.14786	0.4
213.12743	0.7
213.16405	0.7
215.14328	1.6
217.12260	0.7
217.15985	1.1
219.13712	0.4
225.12813	0.5
225.16238	0.4
227.14380	0.7
229.12318	1.5
231.13875	0.5
231.17586	1.3
241.15935	0.4
243.17465	0.5
245.15424	0.6
247.13295	0.5
249.14900	0.9
259.52408	0.3
300.34137	0.3
325.25082	0.4
345.12262	0.5
371.26434	0.4
389.28696	0.6
401.28558	0.9
419.29596	1.8
435.28836	0.7
437.30728	3.6
447.28839	0.5
455.31842	1.9
465.29993	1.5
483.31055	10.4
484.31241	0.5
501.32156	100.0
502.32410	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	500.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.9
56.05035	1.0
60.04530	2.4
67.05157	0.8
67.05502	9.3
70.06573	1.4
71.05067	1.3
72.04543	0.6
81.03436	0.7
81.07050	1.0
84.08145	53.1
85.02908	0.5
86.09680	1.4
91.05497	0.7
95.06438	0.4
95.67292	0.5
97.02868	0.8
98.09737	0.7
104.10736	2.0
107.04965	0.6
107.08567	0.7
109.02884	0.6
109.10159	9.2
121.10048	0.5
125.00023	0.8
126.09156	37.1
126.12794	15.5
126.13726	0.7
126.22500	0.5
127.03918	1.2
143.03304	0.7
144.13815	2.8
147.04318	0.5
147.08057	5.6
153.01817	5.7
168.13849	54.5
171.02875	0.6
176.46457	0.5
184.07388	1.3
186.14900	100.0
187.15276	0.9
206.04608	0.6
209.21465	0.5
272.74527	0.5
308.65125	0.5
331.07965	1.1
450.22565	0.7
500.22577	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	500.3066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.8
53.04161	0.3
54.66151	0.3
55.01872	1.9
57.03437	4.7
59.04991	0.4
61.02636	0.5
61.02927	8.0
69.03427	16.6
69.86333	1.6
71.04987	1.9
73.02914	3.0
81.02972	0.4
81.03417	6.7
81.37146	0.4
83.01353	0.4
85.02901	100.0
86.03214	0.3
87.04465	1.9
91.03953	5.6
97.02889	24.8
99.04446	4.3
101.02386	0.7
103.03926	0.8
109.02106	0.5
109.02873	8.2
109.91022	0.3
115.03934	0.9
117.05495	0.4
127.03912	22.9
132.93239	0.4
144.31618	0.3
145.04951	48.2
146.05295	0.6
150.67595	0.3
161.82748	0.3
163.06007	16.7
164.73933	0.3
223.83919	0.3
400.66104	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69240	10.8
67.05505	12.8
69.03423	37.1
70.06580	33.4
71.61109	20.9
78.60685	9.4
79.05510	19.2
81.03422	11.4
81.07055	12.5
83.04988	15.5
84.08147	33.2
85.02898	32.5
85.08483	14.7
86.09705	20.1
86.52522	12.6
91.05473	19.1
92.49727	10.4
93.07050	14.1
97.02872	15.3
105.07038	21.0
107.08593	22.1
109.06538	15.4
109.10109	11.9
119.08586	21.0
121.06471	17.0
123.08083	16.1
124.11232	11.5
126.09109	32.5
127.03909	39.3
127.09499	17.2
133.06516	100.0
135.08031	16.4
137.05948	15.1
145.10072	14.4
147.04437	15.9
147.08047	40.5
153.01817	30.6
163.11200	24.9
168.13828	21.4
169.14207	14.0
173.13239	14.2
184.07407	14.0
186.14946	61.6
187.15211	39.8
189.12743	38.4
191.14363	78.6
207.13847	68.6
331.07840	18.0
407.22784	11.1
424.28827	11.1
432.52780	12.3
453.18576	11.3
488.58621	11.8
501.23383	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	500.1401
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20078	0.8
54.15674	0.6
55.01876	1.3
61.02947	0.7
65.03946	7.0
67.05500	1.9
69.03423	1.5
70.06584	1.3
70.65658	2.5
81.03434	4.3
85.02905	4.6
93.03406	12.3
95.04965	1.1
97.02902	2.4
109.02889	2.9
111.04447	25.7
111.05200	1.7
121.02954	0.7
127.03925	2.7
137.02353	100.0
137.03413	5.9
139.03909	54.6
142.36931	0.8
147.04326	0.8
155.03403	64.3
167.03412	42.7
168.03757	1.0
201.05544	1.1
241.86206	0.8
259.27063	0.8
275.53320	1.0
277.03464	1.8
337.10541	0.8
420.47095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.4
55.01866	1.9
55.05495	1.2
57.03437	3.2
57.07071	1.8
61.02916	1.1
63.60655	0.8
67.05499	5.0
69.03431	25.4
69.07068	2.2
69.34039	0.8
69.75315	4.5
69.75734	1.5
70.06586	1.4
71.05000	6.3
73.02893	0.9
73.34051	0.8
73.83469	1.1
79.05479	4.3
81.02975	1.4
81.03421	23.0
81.07039	3.2
83.04961	2.0
83.97088	0.9
85.02415	1.9
85.02908	29.9
85.06544	28.2
86.09692	1.4
91.05500	5.6
93.07043	6.4
95.01330	63.6
95.04940	1.8
95.08624	1.2
96.08163	0.9
97.02895	16.2
97.06525	1.0
97.08864	0.8
98.97585	1.4
99.04467	5.7
103.05444	1.6
105.07021	6.6
106.47992	0.9
107.04945	5.0
107.08591	5.6
109.02884	23.5
109.06456	1.2
109.10140	1.4
111.04411	4.6
113.02368	100.0
115.05385	1.0
119.08553	4.2
121.06476	3.5
121.10152	6.0
123.04438	1.3
123.08044	1.2
124.11235	1.2
125.05998	1.9
127.03067	1.7
127.03925	20.8
127.11145	1.2
129.06995	1.4
131.04955	3.7
131.08574	16.2
133.06485	1.1
135.08037	1.3
135.11723	2.1
137.05936	1.2
137.09601	2.2
139.07547	0.9
145.04974	2.4
145.10112	9.4
147.04510	0.9
149.05994	1.8
149.09631	15.1
151.07591	1.1
152.30002	0.9
153.05446	1.2
156.10204	1.7
161.09541	1.0
162.04243	1.7
162.05502	17.7
163.07523	1.3
163.11214	6.6
165.09103	3.5
166.08640	5.9
167.07021	1.3
167.10657	9.2
173.09662	1.5
177.05449	3.0
179.10603	0.9
181.04849	1.0
191.10690	21.8
208.09787	2.3
209.11732	31.8
221.04509	2.7
227.12767	58.3
239.05519	20.9
244.16911	1.5
255.13921	1.0
257.06573	15.9
500.15646	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	498.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27144	1.6
55.05499	2.8
57.06819	2.3
57.07077	34.3
64.77341	1.5
67.05470	1.4
67.57529	1.4
69.41740	3.5
69.42152	9.0
71.08635	23.8
73.06542	4.6
77.11221	1.6
83.08604	3.1
85.10175	20.3
87.04458	2.8
88.03990	2.0
89.06034	100.0
94.70032	2.0
95.08611	3.2
97.10169	4.1
99.11713	4.7
100.90909	1.4
105.07047	1.4
107.07046	2.1
117.09140	4.3
130.08665	2.7
133.08609	52.0
147.33112	1.5
155.01018	2.9
155.17940	4.4
161.00787	1.5
177.11212	16.3
180.18513	1.6
199.20522	4.1
218.22772	1.4
221.13715	1.9
239.14928	1.5
243.23283	6.8
257.36041	1.3
287.25864	4.6
313.27411	3.1
327.20163	11.9
481.37369	10.9
498.36151	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	499.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.97908	0.8
55.40422	0.8
56.96552	1.7
57.03434	3.0
58.86738	0.8
61.02929	1.1
64.12524	1.0
69.03439	15.6
71.01364	1.7
71.05029	0.9
71.59749	0.8
71.60159	1.2
79.05471	1.8
81.03428	10.0
82.84595	0.9
85.02911	10.0
87.04486	1.2
91.05430	0.8
97.02897	32.5
97.71322	0.9
98.97591	7.1
99.04463	5.0
101.02370	1.5
105.03374	1.0
109.02880	5.1
110.97588	1.3
116.98634	2.3
119.01908	1.2
119.04885	1.1
123.04427	1.3
127.03924	9.2
133.02849	3.1
135.04451	1.6
137.02428	1.1
139.03912	1.8
143.01866	1.3
145.02843	1.6
145.04990	1.5
147.04375	1.8
149.02365	2.7
151.03937	1.5
153.01865	6.1
154.94098	1.0
158.99657	3.8
161.01212	1.1
161.02289	4.9
162.03038	1.3
163.03911	31.1
165.01846	11.8
177.00691	3.2
177.05466	1.3
179.03349	3.2
183.33078	1.0
189.01863	2.4
191.03381	8.4
193.01323	3.1
201.02069	0.9
203.03577	1.4
207.02904	100.0
209.04556	1.7
217.01329	3.1
219.02905	3.3
231.02795	1.8
235.02393	75.2
236.02657	1.0
237.02812	1.8
245.00822	6.9
247.02412	8.5
253.03453	78.6
263.01855	5.7
273.00323	1.9
275.01880	1.9
277.03415	4.0
286.07346	0.9
291.01334	3.1
303.01352	2.2
319.01044	4.4
319.04294	1.0
337.01855	8.0
352.54886	0.9
355.03003	51.6
394.99536	1.0
401.05161	3.8
463.05048	2.7
481.05975	3.9
499.07156	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	498.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01885	6.4
55.05508	1.0
57.03436	12.6
59.04996	1.4
61.02928	11.6
67.05495	1.2
69.03066	1.4
69.03432	23.0
69.80251	1.9
69.80619	6.1
71.01351	3.3
71.04992	1.4
73.02919	17.9
81.03431	6.2
81.07066	1.9
85.02906	100.0
87.04455	2.8
91.03955	4.1
91.05492	1.1
93.07053	1.2
95.08641	1.8
97.02899	37.5
99.04462	4.2
103.03959	2.4
105.07052	2.1
107.08589	1.6
109.02895	7.1
112.61324	0.9
115.03934	12.4
119.08640	1.2
127.03916	25.0
132.06541	1.5
133.04980	16.9
145.04961	44.9
149.50546	1.0
150.07648	2.3
163.06013	10.7
167.76643	1.0
170.23347	1.0
218.49863	1.1
223.06046	1.7
241.07242	1.4
259.08124	2.0
435.53079	1.0
450.20956	1.0
487.91302	1.0
498.32178	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	498.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01894	2.1
57.03439	21.8
59.05011	4.0
61.02928	4.7
69.03432	74.8
70.39842	6.7
73.02924	3.5
75.04467	2.1
81.03429	4.7
85.02906	100.0
86.25918	1.7
87.01287	1.6
87.04475	58.1
87.05019	2.8
91.03930	4.0
97.02897	68.9
98.21499	2.1
98.97554	2.8
99.04479	4.4
107.08636	2.0
109.02876	5.0
115.03931	88.9
127.03914	15.4
133.04968	93.9
137.06059	1.6
145.04974	35.1
147.11821	2.1
150.07620	12.5
163.06046	7.5
169.04971	3.4
169.62521	1.8
223.06053	1.9
225.05319	1.8
241.06985	3.4
256.26328	2.1
259.08188	3.6
498.32166	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	498.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	11.1
57.07069	6.3
59.05000	16.3
67.05511	2.5
69.03430	4.8
69.07072	75.7
69.48106	1.7
71.08616	5.0
71.61953	2.4
73.06550	3.4
79.05492	3.1
81.03436	3.6
81.07061	4.6
83.08619	3.8
84.45159	1.6
85.02923	9.2
85.10205	2.5
87.04479	2.7
91.05467	2.8
93.07055	3.1
95.08593	3.7
97.02890	4.0
97.06564	1.6
98.97554	2.0
105.07046	3.2
107.08621	4.5
109.02879	2.9
109.06481	2.5
109.10163	2.8
111.11726	100.0
118.29179	1.5
119.08591	3.3
121.10162	2.7
125.09662	1.8
127.03927	14.0
127.11193	2.3
128.04276	5.3
129.12762	85.9
133.10138	3.2
137.09601	2.9
141.76611	1.8
145.09975	1.4
147.04381	1.7
153.01849	3.0
154.08635	53.6
161.09610	2.5
161.13309	1.7
163.11209	2.2
167.18039	1.9
187.16957	8.8
193.05022	5.1
215.16437	84.3
254.11073	2.6
259.46841	1.5
498.27612	6.1
499.29425	2.4
521.18182	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	497.296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	4.3
55.05514	36.5
57.03430	9.1
57.07069	9.6
67.05509	7.2
69.03434	30.3
69.06711	4.5
69.07072	63.8
69.32854	30.1
71.04977	3.6
71.08631	7.7
79.05490	3.8
81.03425	6.7
81.07056	9.2
81.33904	3.1
83.08611	34.4
85.02897	31.6
85.10178	8.7
87.04474	12.5
91.05475	5.7
93.07041	5.2
95.04970	3.7
95.08605	8.0
97.02901	27.0
97.06549	5.2
97.10175	63.4
99.04490	5.2
105.07027	14.0
107.08594	10.9
109.02843	7.6
109.06513	5.1
109.10172	9.5
111.11723	36.6
115.03934	19.9
119.08591	10.3
121.06519	3.3
123.08073	3.4
125.05980	7.5
126.47024	3.1
127.03910	14.1
129.77130	3.5
131.04924	4.1
133.04984	19.7
133.10152	8.0
135.11716	9.4
137.09593	4.3
145.04941	8.9
145.10109	5.3
147.04443	7.5
153.01892	4.6
153.09070	3.3
163.11214	7.8
167.07074	4.2
174.76765	3.1
179.10571	4.3
185.19017	100.0
189.09190	4.5
191.10678	6.0
191.14355	3.5
257.04630	3.9
289.11798	3.4
295.10602	4.0
317.08661	3.5
373.13931	7.2
497.27951	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94569	0.4
53.03954	1.1
55.20066	0.4
59.97132	0.4
69.03437	1.3
69.36161	1.8
69.36590	1.9
77.03896	0.6
81.03417	4.6
85.02911	1.1
95.04982	1.0
97.02900	1.8
103.05467	23.5
108.98527	0.5
109.02898	1.6
111.71759	0.4
127.03903	1.2
131.04929	76.5
132.04451	8.8
132.05348	1.1
149.05986	2.9
160.03883	0.5
169.15894	0.6
178.04996	64.3
179.05318	0.7
206.04485	100.0
207.04800	1.6
275.09164	6.4
293.10144	1.4
463.35226	0.5
474.77655	0.4
498.13696	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.5
55.01867	3.9
55.05506	35.4
57.03425	6.8
57.07082	11.9
57.52040	2.2
63.14054	2.3
67.05493	7.4
69.03427	37.0
69.07070	61.7
71.04985	3.9
71.08631	7.2
71.61938	3.8
78.08301	2.3
79.05477	5.0
81.03408	9.2
81.07047	15.6
83.04968	5.8
83.08625	36.8
85.02909	30.3
85.10191	7.6
87.04487	11.7
91.05448	5.4
93.07033	6.1
95.08587	7.0
97.02889	29.0
97.10172	62.9
98.97627	2.7
99.04466	3.7
104.46061	2.4
105.07010	12.7
107.04981	2.5
107.08591	8.3
108.89300	2.8
109.02876	7.0
109.10142	7.4
111.11723	46.3
115.03929	24.8
119.04943	2.6
119.08580	8.8
121.10169	6.8
123.08024	3.6
123.11696	4.5
125.05993	11.6
125.13267	5.4
127.03925	15.1
131.04868	2.6
131.08549	3.1
133.04967	19.8
133.10127	8.9
135.08003	2.7
135.11661	8.8
137.06017	6.1
137.09573	5.0
143.08601	2.8
145.04942	7.9
145.10083	5.5
147.04407	7.6
147.07970	3.5
153.01773	2.9
155.14244	2.5
161.09616	4.2
163.03905	3.0
163.11221	4.6
174.05347	2.5
175.14789	3.6
177.05481	2.6
185.09323	3.3
185.19006	100.0
191.14261	3.9
233.06001	2.5
267.18143	2.5
277.09378	2.7
295.10336	3.4
313.11673	5.1
360.24396	2.9
373.13846	9.8
497.27881	46.4
498.17618	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	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05499	0.4
56.05035	1.3
57.03439	0.5
57.06818	0.3
57.07078	3.3
58.06569	1.5
59.07380	0.4
60.08167	16.3
67.05502	0.9
69.07074	0.6
69.88097	1.3
70.06611	0.2
71.07375	7.1
71.08636	2.0
81.07051	0.9
81.76009	0.2
83.08627	0.5
85.10187	0.8
86.09707	50.8
86.82597	0.2
89.06015	0.3
95.08610	1.4
98.98474	3.5
104.10746	100.0
105.07028	0.3
105.11092	0.4
109.10154	0.6
121.10332	0.3
125.00008	28.1
163.01518	0.5
166.06219	0.3
184.07344	96.8
185.07722	0.5
215.22600	0.2
221.05557	0.2
258.11053	1.0
313.27338	1.8
333.98630	0.3
366.32834	0.2
419.25174	0.3
478.32928	8.9
496.34024	27.8
497.34048	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.0
55.05516	5.0
57.03455	2.0
61.81146	2.8
67.05502	13.4
69.03433	18.3
69.07063	6.9
69.55949	3.6
69.56341	14.0
71.04959	2.1
79.01851	5.9
79.05501	3.2
80.43728	1.9
81.03426	22.0
81.07050	14.5
83.04982	6.8
83.08597	4.4
85.02904	9.5
85.06547	3.1
91.05485	6.4
93.07053	8.2
95.01332	2.2
95.04959	2.9
95.08609	29.8
97.02893	23.8
99.08088	3.0
103.05470	21.6
105.07031	6.0
107.08604	22.2
109.02879	21.0
109.06527	6.8
109.10155	63.5
110.91378	2.1
119.08574	27.1
121.06477	2.2
121.10140	12.8
123.04403	2.3
123.08073	8.4
123.11697	7.1
125.02357	100.0
127.03934	11.4
131.04930	63.5
131.08499	2.2
132.04469	6.6
133.10123	16.2
135.08058	3.3
135.11690	68.7
137.06024	3.0
137.09621	9.1
137.26608	2.1
143.03354	13.6
145.10120	2.1
147.04425	6.3
147.08080	7.3
147.11717	2.6
149.06007	5.2
149.13226	6.1
151.11189	6.7
151.14862	4.4
161.09605	2.4
175.14847	28.9
178.05000	58.5
189.05441	3.0
189.08936	2.4
189.12794	3.7
193.15872	41.9
206.04495	82.7
211.16924	33.4
223.74977	2.0
261.11136	3.3
267.75635	2.1
269.06522	19.9
271.17004	3.1
275.09128	4.6
287.07626	5.1
299.16556	11.5
301.82199	2.3
317.17456	31.8
334.77811	2.6
335.18393	3.6
443.21027	3.6
497.23407	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.55225	0.8
57.07058	0.8
60.08153	3.8
70.66205	1.6
70.66539	1.4
71.07375	1.2
79.05499	4.6
86.09707	12.7
87.04456	1.5
89.06033	13.0
91.05490	2.8
93.07043	3.5
95.04954	2.0
95.08591	0.9
97.65417	0.8
103.05470	4.6
104.10743	27.5
105.07033	100.0
106.07355	0.7
113.67770	0.8
119.04895	0.8
119.08575	1.3
121.06506	17.2
125.00004	7.1
131.08490	1.1
133.08606	5.9
147.08028	3.9
149.09682	1.1
156.79103	0.8
165.09140	5.7
177.11215	3.2
183.10187	1.1
184.07344	21.9
187.65564	0.8
269.15485	1.6
270.28217	0.7
271.15411	41.3
375.21686	8.6
442.57913	0.8
478.33060	2.4
479.28250	0.9
496.34357	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	495.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.2
53.03953	5.0
55.05256	1.5
55.05513	25.1
57.03436	14.5
57.07081	1.2
65.03939	3.4
67.05506	39.9
69.03434	7.6
69.07067	10.7
70.75598	3.4
71.04992	7.9
79.05496	39.7
81.03421	90.0
81.06578	1.7
81.07059	47.5
83.04988	19.6
83.08620	35.6
85.02909	51.8
85.06546	4.3
87.04488	1.1
91.05485	48.8
93.06468	1.2
93.07050	27.1
95.04972	39.4
95.08613	16.4
97.02903	4.6
97.06529	6.2
97.10197	6.1
99.08137	1.8
105.04492	1.6
105.07035	40.2
107.04958	9.9
107.08595	14.0
109.06516	6.6
109.10149	6.0
111.04459	5.4
111.08089	19.2
113.06025	4.9
115.05458	2.2
117.07022	4.4
119.08583	30.5
121.06520	3.1
121.10143	14.8
123.08070	5.1
123.11713	3.8
125.06001	1.3
125.09628	3.4
127.03911	1.7
128.06262	1.3
129.07010	16.4
129.07907	1.6
131.08562	19.5
133.06493	3.7
133.10144	16.3
135.08083	2.0
135.11694	1.2
137.05994	1.4
137.09607	3.5
141.32336	1.0
142.07785	5.2
143.08566	1.2
145.06458	1.0
145.10115	5.1
147.04359	1.9
147.08052	5.7
147.11691	22.0
149.09656	11.0
151.07574	1.1
151.11148	1.7
155.08606	1.6
157.10158	21.0
158.94836	1.0
158.96318	0.9
161.09645	1.9
163.11147	2.1
165.12785	5.8
175.11189	23.9
187.11310	1.0
187.13269	1.1
189.11267	1.4
193.12248	87.4
211.13303	100.0
227.12856	2.0
229.14514	1.1
249.14906	1.4
267.15875	8.0
285.17072	3.1
299.05576	1.3
315.01422	1.3
369.95392	1.1
385.23969	2.7
403.24582	1.3
424.64313	1.3
459.27542	4.1
477.28442	7.4
495.29611	82.1
496.29868	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	495.2567
Annotation	Tricalysioside B
Peak:m/z	Relative Intensity
53.03968	1.3
53.93108	0.6
55.05522	4.8
57.03461	1.6
59.05503	0.6
61.02954	0.9
65.03990	1.0
67.05502	11.4
68.76275	0.7
69.03477	1.3
69.07127	4.3
69.23801	2.5
69.24227	5.2
71.05039	2.6
71.43449	0.7
73.02876	0.7
79.05494	9.8
81.03413	7.7
81.07062	15.8
83.04983	4.0
83.08694	2.7
85.02977	3.2
91.05488	10.5
93.07059	8.4
95.04980	5.2
95.08604	6.4
97.02950	1.1
97.06569	1.7
97.10232	2.0
98.20767	1.6
98.21422	1.7
98.97659	0.8
99.04523	1.1
99.08146	1.2
105.07029	8.1
107.05042	2.1
107.08618	5.5
109.02934	0.8
109.06584	1.8
109.10230	2.2
111.04507	2.3
111.08130	1.9
117.07066	1.8
119.05000	1.0
119.08582	7.0
121.10134	3.8
122.32159	0.8
123.08127	1.1
123.11768	2.1
125.06059	0.7
125.09668	0.9
129.07111	2.1
131.08633	2.7
133.06586	1.0
133.10216	3.1
135.11789	2.6
137.06003	1.1
145.10164	1.8
147.08162	1.5
147.11742	5.1
149.09694	1.1
149.13304	1.5
157.10188	1.7
157.90639	0.7
159.11780	1.6
161.09695	1.4
163.11273	3.1
165.09264	0.8
165.12852	2.1
173.13319	1.1
175.11301	2.0
181.12352	1.3
185.04286	1.6
189.11264	1.1
191.10706	1.7
193.12233	4.3
197.31345	0.8
209.11716	1.1
211.13333	6.3
221.11682	0.9
227.12886	2.2
249.10034	0.8
251.11768	0.9
266.13687	1.3
267.15997	3.3
269.17468	1.4
280.11700	1.1
283.15402	1.5
285.10324	0.8
309.12189	1.9
310.12759	2.8
333.20370	100.0
334.21005	1.5
337.11896	1.2
338.12341	2.7
369.14447	1.5
370.14706	3.8
371.15683	1.9
381.19516	0.8
385.23550	2.4
442.84500	0.8
477.28094	2.4
495.25412	82.3
496.25937	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	495.2566
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.05517	4.9
55.57405	0.8
56.96540	1.8
57.03421	2.5
57.07053	1.1
61.02913	2.2
67.05511	10.1
69.03400	3.1
69.07042	4.0
69.21522	0.9
69.32733	6.8
71.04980	2.7
79.05499	7.8
81.03413	4.8
81.07061	14.0
83.04944	2.6
83.08599	3.7
83.88324	1.0
85.02913	5.1
85.06521	1.6
91.03954	2.0
91.05489	7.8
93.07053	8.3
95.04942	3.6
95.08607	5.4
97.02859	2.6
97.06506	2.0
97.10146	1.6
98.97573	2.0
99.04422	1.1
99.08084	1.1
102.96855	1.3
103.05444	1.1
105.07039	8.6
107.04938	1.9
107.08598	6.3
109.10159	2.7
111.08045	1.4
117.06987	2.2
119.08574	5.4
121.06468	1.4
121.10130	4.6
123.08040	2.0
123.11699	1.3
127.03880	1.4
129.06981	2.1
131.08534	2.7
133.10100	4.2
135.08020	1.4
135.11644	1.6
137.05971	1.7
137.13637	1.2
143.08551	2.0
145.10094	3.7
147.11635	4.4
149.09619	2.3
149.13242	2.9
155.08586	1.0
157.10092	1.4
159.11652	2.6
161.09566	1.2
163.11188	2.5
165.12727	1.0
167.07068	1.2
171.11627	1.1
173.09721	1.3
173.13184	1.5
177.12512	1.0
185.04181	3.4
191.10602	1.1
199.11214	1.4
201.12782	1.1
209.11684	2.0
211.13187	1.7
227.12625	2.1
267.09082	1.1
267.15866	1.5
283.15424	1.0
285.10202	2.3
315.01459	1.7
333.20377	100.0
334.20712	1.7
367.22501	1.5
477.28119	3.0
491.21246	1.1
495.25427	78.4
496.25894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	5.9
54.93104	2.7
55.05519	4.5
57.02283	2.6
57.03451	3.4
64.59296	2.3
65.03919	3.3
67.05490	6.5
69.03442	18.2
69.07063	3.4
69.79987	5.9
69.80402	8.2
71.04981	4.5
79.01862	7.7
79.05489	9.0
81.03420	17.1
81.07069	15.2
83.04986	4.9
85.02910	8.0
85.06535	2.7
91.05477	11.2
93.07047	10.1
95.04968	6.6
95.08584	7.3
97.02917	19.9
97.06545	3.3
98.20672	2.3
99.04469	6.5
105.07031	30.5
107.04961	10.4
107.08594	29.3
109.02896	12.6
109.06531	6.6
109.10166	11.5
112.03982	17.1
113.04295	4.7
117.06996	3.4
119.04952	2.7
119.08587	8.6
121.06507	4.7
121.10148	13.4
122.07296	3.2
123.08056	3.4
125.02361	50.8
127.03929	31.9
131.08578	5.9
133.10138	100.0
135.08080	13.0
135.11679	4.2
137.05997	7.1
137.08630	3.9
137.09628	53.2
140.03442	40.8
141.03815	13.3
143.03377	6.9
143.08580	2.9
145.10097	4.7
147.04494	2.7
147.11751	5.4
149.09668	4.0
149.13249	10.4
151.07544	4.9
153.01845	14.7
161.09618	9.5
163.03912	3.4
163.11192	7.7
165.09100	7.1
173.13275	3.4
179.10603	5.5
189.09113	5.9
191.14319	50.4
203.27803	2.7
238.46938	2.7
260.77219	2.8
266.06555	7.8
267.06952	6.8
269.06573	19.8
287.07724	4.7
297.14755	3.1
315.15964	14.2
315.19247	2.7
333.16937	27.7
400.70233	2.9
459.20129	4.2
495.18286	7.4
495.25580	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	495.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
53.04164	0.1
55.01865	0.5
56.17078	0.1
56.35574	0.2
57.23939	0.1
59.81937	0.1
60.33191	0.1
60.91973	0.1
63.34579	0.1
67.05489	0.4
69.03424	1.1
69.07069	0.2
69.45180	1.3
69.48923	0.1
71.04978	0.5
74.34560	0.1
79.05483	1.1
81.03424	1.1
81.07053	0.4
85.02879	0.5
91.05479	1.8
93.07042	0.7
95.04959	0.3
95.08596	0.4
97.02889	1.0
98.21615	0.2
99.04453	1.6
103.05460	0.2
105.07033	7.2
107.04967	0.3
107.08574	1.2
109.02887	1.3
109.06524	0.5
117.07003	0.2
119.08595	1.0
121.06538	0.3
121.10136	0.3
123.08064	0.3
124.50943	0.2
127.03917	100.0
128.04260	0.7
128.06200	0.5
131.08582	0.4
133.06496	0.7
133.10133	4.0
143.08527	0.8
145.10155	0.4
146.07294	0.4
147.04424	0.2
147.07994	0.2
151.07494	0.9
159.08090	0.2
161.05998	0.2
161.08267	0.4
161.09621	6.1
163.11198	1.4
172.49995	0.2
179.10672	1.5
189.09122	1.5
196.08931	0.2
207.10182	0.9
219.13837	0.2
225.11250	0.2
241.12236	0.2
269.11835	0.2
287.12952	0.2
302.77664	0.2
302.88858	0.1
305.13873	0.5
315.00861	0.2
318.94104	0.2
323.14963	0.4
324.49420	0.2
333.13400	0.5
351.14325	1.4
370.35556	0.2
431.61356	0.2
447.07336	0.3
465.11761	0.2
477.11621	0.4
495.12729	0.5
495.21454	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.05503	0.7
56.96543	0.5
57.03410	0.4
60.04514	0.4
62.06074	0.4
67.05500	0.6
69.03429	1.3
69.07066	0.7
70.06573	0.5
71.04990	0.9
71.61835	0.5
79.05484	2.1
81.03408	2.2
81.07060	1.4
85.02913	0.9
85.06550	0.4
91.05484	2.4
93.07041	1.7
95.08588	1.1
97.02888	1.1
99.04454	1.5
105.07032	7.5
107.08587	2.0
109.02855	1.9
109.06519	1.1
109.10143	0.7
119.08570	1.2
121.06517	0.6
121.10171	0.8
123.08081	0.8
123.11779	0.4
127.03918	100.0
128.04233	0.7
131.08496	0.4
133.06482	0.6
133.10138	4.7
135.08014	0.5
135.11710	0.6
137.09595	0.5
143.08549	0.9
145.10143	0.6
147.04401	1.4
151.07550	1.2
153.01807	0.9
161.09610	6.1
163.11215	1.7
165.09142	1.2
167.07071	0.6
178.65681	0.4
179.10669	1.3
188.81442	0.3
189.09142	2.1
207.10150	0.8
231.02692	0.4
275.10944	0.7
305.13730	0.6
307.30966	0.4
312.38303	0.4
315.01300	1.1
323.14825	0.6
331.07776	0.6
332.27942	0.6
333.13278	0.6
333.20248	0.4
333.28296	0.4
351.14383	1.0
495.12494	32.6
495.18646	5.0
495.24698	1.3
496.12909	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60292	1.0
53.03955	2.7
55.05499	3.9
57.03427	2.1
57.10363	1.1
57.47332	1.0
61.29414	1.2
65.03947	1.3
67.05503	4.2
69.03432	9.2
69.07063	1.7
70.85371	3.0
70.85734	1.3
71.04996	10.4
74.41093	1.2
79.05486	5.2
81.03421	10.0
81.07064	6.4
83.05006	1.7
83.08599	1.9
85.02897	4.0
91.05497	10.0
93.07050	8.9
95.04959	2.3
95.08606	4.7
97.02886	4.1
99.04463	26.0
100.11288	1.3
103.05463	1.6
105.07039	56.0
107.04958	1.6
107.08589	4.1
109.02868	5.2
109.06467	1.3
119.08596	4.4
121.06520	3.8
121.10159	3.3
123.08088	6.5
127.03926	100.0
128.06230	2.1
129.07028	1.9
131.08574	4.6
133.06549	6.7
133.10141	32.8
135.11693	1.4
137.05963	1.6
143.08542	3.1
145.10124	2.6
146.07266	2.3
147.08000	1.6
147.11725	2.1
149.09625	2.5
151.07582	2.9
151.11107	1.2
157.10225	2.3
159.08014	2.3
161.09634	52.6
163.11203	11.1
179.10696	22.0
189.09096	9.3
192.20406	1.3
193.12274	4.4
207.10196	6.8
211.13306	5.6
239.08247	1.2
257.11792	1.9
282.71927	1.3
287.12634	1.5
305.13852	1.7
317.87421	1.2
330.25604	1.4
333.13522	1.4
351.14331	5.1
369.15460	4.4
495.29697	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	495.1843
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
55.05498	1.0
59.40813	0.6
67.46583	0.5
69.03421	1.3
69.07047	0.7
71.04968	0.9
73.02896	0.5
77.64101	0.5
79.05496	0.9
81.03403	1.1
81.07059	1.6
83.04977	1.0
85.02894	1.5
91.05476	0.9
93.07048	1.3
95.04938	1.0
95.08605	1.3
97.02903	1.1
98.97553	0.7
105.07030	1.6
107.08601	1.1
109.02853	1.1
109.06548	0.9
109.10130	0.9
113.05743	0.8
119.08567	1.5
121.10136	0.9
122.02325	0.6
123.08074	0.7
124.11260	0.8
127.03893	4.9
129.85603	0.5
131.04988	0.5
131.08563	0.8
133.06473	0.6
133.10127	0.9
135.11620	0.9
137.05971	1.4
147.04433	1.2
149.06067	0.6
149.09561	0.6
151.03937	0.6
153.01848	2.8
161.09624	0.8
163.03961	0.7
167.07005	0.7
170.06253	0.5
172.26515	0.6
186.61261	0.6
189.12811	0.9
207.10286	0.9
261.07394	3.8
275.10953	3.0
287.14050	0.6
311.05396	1.0
315.05035	0.8
316.11795	2.0
333.04507	4.0
333.13141	2.3
383.93265	0.6
423.12619	1.0
495.18353	100.0
496.18823	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	495.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60741	0.4
53.03944	1.0
55.01872	1.0
55.05505	1.0
57.03428	0.8
63.22096	0.4
65.03916	0.5
65.43062	0.4
65.50954	0.4
67.05497	2.1
67.88528	0.4
69.03433	3.0
69.07063	1.1
69.37856	1.8
69.38283	1.8
71.04982	2.6
79.05486	2.7
81.03426	4.1
81.07068	3.1
81.64446	0.4
83.04973	0.8
83.08591	0.5
84.05304	0.4
85.02911	1.7
85.06555	0.9
85.93604	0.4
91.05477	4.5
93.06096	0.4
93.07050	3.7
95.04965	1.8
95.08617	2.7
96.08924	0.4
97.02881	2.3
97.06543	0.5
97.10165	0.5
99.04464	5.9
103.05473	0.6
105.07030	16.8
107.04971	0.6
107.08572	2.5
108.08955	0.5
109.02883	2.7
109.06513	3.2
109.10151	3.6
110.10521	1.1
111.04409	0.5
111.08117	0.8
116.70729	0.4
117.06990	0.9
119.04926	0.4
119.08585	5.6
120.08945	0.7
121.02872	9.8
121.06517	1.0
121.10128	1.3
122.03201	4.3
123.03335	1.4
123.08083	1.8
123.11684	0.5
123.39345	0.5
127.03918	100.0
128.04227	0.5
128.06230	0.6
131.08604	0.9
133.06479	1.8
133.10130	12.0
135.11717	4.4
136.12039	2.2
137.09613	1.7
137.12418	0.5
139.03873	1.3
140.04216	0.6
143.08582	1.2
145.10162	0.8
146.07243	0.5
147.04391	3.0
147.08058	0.8
151.07599	2.0
151.11180	1.2
161.08275	0.8
161.09619	14.8
163.11172	4.9
165.09169	0.9
171.08113	0.8
175.14853	1.3
176.15161	1.3
179.10661	7.9
189.09102	5.9
193.15913	1.4
194.16284	1.8
195.16545	0.7
203.03487	0.4
207.10178	4.2
211.16971	1.3
212.17220	1.0
213.17548	0.5
219.13873	0.8
225.11131	0.9
257.04401	0.4
267.07629	0.7
285.08438	0.7
315.12335	0.5
315.19211	0.6
323.14975	1.4
333.13385	1.1
351.14310	2.7
369.15240	0.9
467.96307	0.4
468.22037	0.5
477.28503	0.5
495.12961	0.6
495.26443	2.3
496.13934	0.5
497.79071	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19789	0.4
53.03947	0.7
55.05251	0.6
55.05513	10.9
56.05030	1.5
67.05524	0.7
68.05027	1.1
70.06581	2.1
71.20480	0.9
71.20849	0.4
79.05492	5.5
80.05024	0.8
81.03424	1.4
81.07060	16.7
81.19025	0.4
82.06581	35.9
83.07366	1.1
84.08154	1.4
85.02902	0.8
88.59877	0.4
90.95713	0.4
95.06786	0.4
95.08604	0.8
96.07622	0.4
96.08137	2.0
97.02906	0.5
105.07052	0.5
107.08588	1.8
124.11232	82.8
125.11535	0.5
127.03949	0.5
131.08606	0.8
133.10033	0.4
138.08966	0.4
142.12279	3.2
166.08658	0.5
175.05362	0.4
184.13338	100.0
185.13638	1.4
189.01866	0.4
205.04784	1.4
206.04657	0.6
209.11818	0.7
211.13322	0.8
217.01308	0.6
219.03011	0.4
224.03323	0.4
235.02141	0.5
247.02312	0.4
273.00360	0.4
314.10574	0.5
332.15155	0.6
333.02451	0.5
392.09659	1.1
434.14346	1.0
494.16544	8.7
495.07684	0.9
498.50766	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
53.21348	0.2
55.05503	0.5
57.03429	0.4
60.04541	0.6
65.05659	0.3
67.05505	0.8
69.03437	1.9
69.07071	0.4
71.04992	0.9
72.42420	0.2
79.05493	0.7
81.03414	3.2
81.07056	0.8
83.04995	0.5
84.04509	0.3
85.02892	1.5
91.05502	0.6
93.07049	0.5
94.02951	0.9
95.04977	0.4
95.08605	0.9
95.35882	0.3
97.02895	10.5
98.97597	0.5
99.04455	1.5
103.05553	0.3
105.07091	0.4
107.08605	1.2
109.02882	3.6
109.10139	1.7
111.08089	0.2
112.03973	34.3
119.08576	0.4
122.02363	3.0
123.08094	0.6
127.03918	13.7
127.11157	0.6
131.04936	0.3
133.10167	0.5
135.11679	1.6
137.05988	0.4
137.09624	0.3
140.03432	100.0
141.03772	0.5
153.01869	0.3
158.99588	0.3
175.14830	0.5
182.04483	2.4
183.08125	1.2
184.08359	0.3
193.15919	0.5
230.04451	1.1
236.05440	0.5
248.05553	5.7
254.24829	0.5
266.06607	32.0
267.06937	0.3
284.04736	0.5
284.07672	8.5
332.27869	1.0
494.23682	3.0
494.32690	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1303
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
53.03945	1.9
55.05511	3.5
55.64284	0.5
57.03436	1.3
65.03945	0.9
67.05506	4.7
68.99802	0.7
69.03421	1.5
69.07072	2.3
69.69118	3.2
71.04984	2.0
78.04702	0.6
79.05493	5.2
79.13554	0.4
81.03426	4.7
81.07058	6.6
83.04979	2.1
83.08603	2.4
85.02897	2.3
91.03959	0.5
91.05492	6.1
92.05843	0.5
93.07044	5.5
94.07414	1.1
95.04981	3.0
95.08600	3.7
97.02908	0.9
97.06523	1.3
97.10152	0.6
99.04470	1.0
102.04723	0.9
103.05486	3.8
105.07037	6.9
107.04961	2.2
107.08599	4.1
109.02889	0.6
109.06535	1.2
109.10149	1.2
111.04452	1.3
111.08060	1.0
111.96020	0.5
117.07037	1.6
118.04170	1.7
119.05024	1.1
119.08613	2.7
121.06529	1.9
121.10129	2.4
123.04453	0.7
125.09656	0.8
127.03989	0.8
127.11195	1.8
129.07007	1.0
130.04164	1.4
131.04953	3.6
131.08586	1.6
132.05678	2.2
133.02847	0.8
133.06500	1.0
133.10136	3.1
134.03564	0.6
135.04434	1.5
135.08084	0.7
135.11726	2.5
137.06001	0.6
137.09689	0.7
140.04691	1.8
145.06493	1.1
145.10130	1.9
146.03654	2.8
147.04419	1.1
147.11691	1.3
148.05225	0.9
149.06003	1.0
149.13235	0.7
151.03893	0.8
151.11205	0.5
153.01828	5.9
153.05458	1.1
155.08566	0.5
157.10133	1.3
159.04430	0.5
159.11736	0.6
160.05244	1.2
161.05971	1.7
161.09624	2.0
162.03142	1.2
163.03905	0.9
163.11185	2.1
166.06259	0.6
167.07043	2.5
169.10065	0.5
173.05959	0.8
173.09673	0.5
175.11287	0.6
176.04716	2.1
177.05479	2.7
178.06223	4.0
180.07735	0.6
181.12241	1.0
189.09081	0.5
191.07050	3.9
192.07774	1.7
193.12239	2.0
194.12523	1.2
203.03387	5.3
209.11757	1.4
211.13268	1.5
212.13698	0.9
213.05508	0.7
217.12189	0.5
227.12920	1.6
229.04955	7.1
241.05009	1.9
242.05742	11.6
242.08180	0.6
253.04897	2.3
257.04462	52.5
258.05249	16.7
259.05457	0.5
264.12070	0.6
265.13330	0.6
267.09128	0.5
267.16135	0.7
269.04425	2.4
270.05328	2.3
271.06064	2.3
279.11288	0.7
285.03931	8.4
285.17053	0.6
286.04727	27.8
286.58707	0.5
287.05518	19.3
297.03958	4.5
299.05600	1.5
300.06369	1.4
301.28555	0.5
309.12372	0.7
310.12732	2.2
311.05484	0.5
311.13336	1.1
327.04935	2.3
333.20389	5.4
335.12613	0.5
337.11877	1.8
338.12231	4.1
339.13031	1.0
341.06689	1.8
351.14508	1.1
357.24115	0.6
369.14322	0.7
370.14990	0.9
371.15781	0.6
373.07092	0.5
381.06738	0.4
385.24078	1.0
419.07782	1.4
433.08997	0.6
444.08148	0.6
447.07120	1.7
459.27563	1.0
462.09290	1.0
465.11752	2.9
477.11844	14.9
477.28726	1.5
494.27994	0.6
495.12909	100.0
495.29703	5.5
496.13321	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31712	4.9
55.05510	39.4
57.07079	54.1
63.11779	5.6
67.05502	38.4
69.07075	86.3
69.25489	33.8
69.25908	24.6
71.08636	43.4
79.05499	32.6
81.07057	88.5
83.08622	53.0
85.00091	5.2
85.10184	25.4
91.05499	13.2
93.07056	100.0
95.05006	5.4
95.08614	62.7
97.06546	6.5
97.10177	47.8
98.20754	10.2
99.08064	6.9
102.50881	4.8
105.07047	15.5
107.04961	6.2
107.08592	56.9
109.06555	13.1
109.10191	36.3
111.11745	16.0
115.07568	8.9
119.08565	8.3
121.06502	7.4
121.10139	31.7
123.11749	9.8
127.07560	29.4
133.10194	5.2
135.11711	43.1
137.13344	9.0
141.09123	8.0
143.07040	22.1
147.11676	8.4
149.09665	5.8
149.13255	43.2
151.14857	8.7
153.09119	9.2
159.11691	7.2
161.13219	6.5
163.14828	42.4
167.10728	5.7
177.08043	5.3
177.12775	8.5
177.16393	17.4
191.14333	11.1
191.17978	9.6
233.22556	5.6
289.28949	89.7
299.27359	21.3
307.30008	69.8
317.28482	49.5
349.30969	43.8
493.34830	17.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2799
Annotation	Mucronine B
Peak:m/z	Relative Intensity
50.01594	1.2
53.03951	6.7
55.01649	1.3
55.01877	15.3
55.05262	2.5
55.05515	41.1
57.03178	1.4
57.03437	16.7
57.07061	1.9
59.05005	5.4
65.03927	4.7
67.05505	47.8
69.03431	7.2
69.06770	1.3
69.07074	14.2
70.08134	4.2
71.01354	2.7
71.05000	12.7
79.05495	59.0
81.03421	84.3
81.07057	58.6
83.01339	9.5
83.04981	33.0
83.08125	2.0
83.08624	43.5
85.02909	46.0
85.06532	3.8
87.04469	1.2
91.05483	62.1
93.07050	55.8
95.04971	40.9
95.08036	2.0
95.08609	28.3
97.02896	8.3
97.06528	9.9
97.10177	8.6
99.04452	4.7
99.08105	1.8
103.05464	3.8
104.97575	1.0
105.07032	41.4
107.04965	17.4
107.08604	30.3
109.02815	1.2
109.06529	15.5
109.10163	8.9
111.04461	7.1
111.08088	17.3
113.06010	2.9
115.05482	2.8
117.07030	15.0
119.08591	35.6
120.08050	1.2
121.06545	7.6
121.10150	22.5
123.04456	1.5
123.08079	14.7
123.11701	4.7
125.05984	3.1
125.09666	6.7
128.06204	1.7
129.07002	13.8
130.07814	3.0
131.04936	2.1
131.08595	17.4
133.06494	5.1
133.10127	14.3
135.04352	1.1
135.08075	5.3
135.11688	17.3
137.05968	1.7
137.09587	5.3
139.07503	1.4
141.07004	1.2
142.07751	3.4
143.08563	3.4
145.06528	1.6
145.10123	24.5
147.08095	7.1
147.11681	17.6
149.05910	1.1
149.09636	8.9
149.13310	1.3
153.09082	1.5
153.12746	5.4
155.08569	2.5
157.10129	16.5
160.39555	1.2
161.09605	2.7
163.09831	1.7
163.11194	34.3
165.09210	1.5
165.12755	4.4
169.10191	1.5
173.09631	6.3
175.11182	15.9
181.12213	5.2
185.13213	1.2
189.11191	1.8
191.10677	4.6
193.12248	69.7
209.11780	8.3
211.13306	76.9
213.12737	1.3
225.96204	1.0
227.12708	6.0
263.11996	1.8
267.15878	4.0
283.15488	2.9
285.17139	1.2
289.14288	1.1
293.09097	1.4
309.12357	4.0
313.12610	1.7
336.42215	1.1
337.11740	1.3
340.13547	1.6
368.13248	1.6
369.14291	4.4
383.22183	5.0
401.23209	3.4
449.16754	3.5
475.26810	4.4
475.33371	1.1
493.20029	6.9
493.27942	100.0
494.28812	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	493.2798
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03941	10.5
55.01876	16.7
55.05513	38.6
56.96565	3.0
57.03428	15.6
59.04994	4.2
65.03933	3.6
65.43105	2.1
67.05509	45.8
69.03423	7.0
69.07072	15.0
71.01347	2.7
71.04995	10.2
71.62077	3.4
73.62232	2.4
79.05490	58.4
81.03416	77.0
81.07056	55.6
83.01356	7.5
83.04980	28.3
83.08617	34.6
85.02901	32.5
85.06550	3.6
91.05486	59.5
93.07041	48.1
93.94858	2.4
95.04961	34.3
95.05475	3.7
95.08620	28.6
96.82987	2.2
97.02895	7.4
97.06550	13.7
97.10163	10.9
97.39568	2.3
99.04462	4.9
99.08109	2.5
105.07024	45.0
107.04955	15.2
107.08594	25.2
109.06517	14.0
109.10162	10.9
111.04491	11.9
111.08065	14.9
113.06026	4.1
115.05488	3.2
117.07027	12.3
119.08584	29.3
121.06491	9.4
121.10132	21.0
122.01048	2.5
123.04417	2.9
123.08091	12.4
123.11747	4.6
125.06020	3.8
125.09595	4.8
129.06996	16.7
131.08560	14.8
133.06512	3.4
133.10120	13.8
135.08037	6.7
135.11674	17.1
137.06036	5.7
137.09671	6.4
141.07007	2.6
142.07799	4.9
145.06517	3.4
145.10106	17.7
147.08058	6.1
147.11707	19.5
149.09641	6.8
151.11163	3.3
153.12773	6.0
155.08627	3.5
157.10164	14.8
161.09610	4.3
163.11172	28.7
165.09169	8.0
165.12747	3.4
173.09647	3.7
175.11136	16.7
181.12303	7.1
189.09055	2.5
191.10663	5.1
193.05028	2.8
193.12238	70.4
209.11708	15.9
211.13290	60.8
211.15228	3.6
219.44241	3.1
227.12827	6.9
249.14876	2.8
267.16165	5.5
283.15463	5.0
284.74756	2.5
374.81216	2.8
383.22308	5.9
401.23297	3.5
475.27103	8.5
475.33923	3.2
493.28036	100.0
493.35291	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	493.274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.05500	1.4
56.96550	1.7
66.20282	0.5
67.05481	1.8
69.32299	5.8
79.05499	5.2
80.59494	0.5
81.07053	1.8
89.06026	1.8
89.66158	0.5
91.05484	5.4
93.07040	2.0
95.04969	1.0
95.08605	1.8
98.21510	1.1
100.65460	0.6
103.05470	15.8
103.06128	1.1
105.07034	87.4
107.08591	2.0
109.10145	1.1
119.08600	1.2
121.10164	1.1
128.06258	1.9
129.07016	2.3
131.08586	1.7
133.10179	0.9
135.08061	0.7
135.11684	0.7
139.44983	0.6
143.08597	0.8
145.06561	0.9
145.10117	1.1
147.08035	0.7
165.07069	0.6
171.08083	2.4
178.07867	1.7
179.08585	2.0
191.08635	2.0
192.09415	1.7
193.10138	1.7
195.08101	1.6
201.16432	0.7
203.08472	0.8
205.06534	0.9
205.10023	0.6
206.10919	3.1
207.08058	3.3
207.11703	0.9
216.09383	1.0
219.08083	2.3
220.08858	2.8
221.09637	2.5
221.13364	1.4
222.10312	1.0
225.59842	0.6
234.10432	3.2
242.26196	0.6
249.12766	28.2
250.13306	0.7
327.17444	27.9
384.76105	0.7
389.21301	1.8
405.22137	100.0
406.22723	2.2
431.23740	0.9
470.84335	1.3
471.34872	1.4
493.33301	26.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.28
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03934	7.8
55.01654	1.7
55.01876	17.3
55.05514	33.9
56.96555	1.5
57.03436	14.2
57.07074	2.1
59.04988	4.4
62.38850	1.4
65.03931	2.4
67.05506	45.7
69.03416	5.0
69.07066	14.7
69.41597	13.1
71.05000	12.0
71.08611	1.6
78.52309	1.5
79.05493	55.5
81.03419	75.8
81.07057	62.0
83.01357	7.9
83.04984	28.4
83.08131	2.7
83.08620	40.0
85.02904	34.0
85.06558	3.5
91.05481	56.6
93.07050	51.1
95.04970	35.9
95.08610	25.1
97.02882	6.3
97.06538	8.4
97.10156	8.3
99.04454	3.7
99.08067	2.5
103.05478	3.1
105.06368	2.5
105.07035	33.8
107.04956	15.2
107.08601	25.5
109.06535	14.2
109.10126	8.2
111.04449	8.1
111.08072	14.0
113.05998	1.6
115.05459	4.8
116.72305	1.7
117.07005	14.3
119.04918	2.3
119.08580	31.6
121.06491	6.6
121.10148	23.2
123.08060	9.4
123.11689	4.0
125.05969	3.8
125.09612	3.5
127.03946	1.8
127.07550	2.8
129.06993	15.0
130.07826	2.0
131.08569	14.7
133.06528	4.6
133.10158	13.5
135.08051	6.4
135.11685	17.9
137.09613	4.5
139.11217	2.2
142.07748	4.0
143.08594	4.1
145.06468	3.0
145.10129	21.0
147.08044	5.4
147.11702	17.8
149.05966	1.7
149.09596	8.6
151.11232	1.8
153.12746	4.4
155.08647	2.5
157.10114	13.3
163.11191	30.4
165.12808	4.3
169.10136	2.6
173.09627	5.8
175.11177	16.1
181.12317	7.6
191.10701	3.9
193.12250	69.4
209.11745	8.6
211.13283	69.0
227.12804	7.2
249.14951	2.2
267.15936	5.6
283.15387	4.5
290.47552	1.8
337.12018	2.2
383.21881	2.3
401.23627	2.1
439.31674	2.0
475.26654	2.4
492.24173	1.8
493.27954	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.7
55.05515	3.5
56.38414	2.7
56.70628	2.5
57.03401	3.3
67.05504	4.9
69.03432	21.5
69.53149	20.0
71.04993	6.6
72.08142	5.1
79.01845	8.6
79.05499	5.0
79.89550	2.4
81.03421	20.5
81.07052	5.5
83.04979	7.8
83.07892	2.5
83.91486	2.8
85.02911	10.3
86.09719	9.4
91.05469	10.5
93.07058	10.0
95.04978	6.9
97.02901	25.8
99.04414	3.4
101.65484	3.2
105.06399	3.1
105.07025	16.4
107.08586	6.1
109.02903	20.8
109.06528	6.3
119.08575	26.6
121.02818	4.4
121.06448	4.4
121.10182	3.7
123.08093	7.7
123.11628	3.6
125.02356	99.2
127.03890	9.9
129.06995	4.1
131.08487	3.3
133.10109	16.4
135.08076	11.7
138.05507	14.4
141.07053	2.8
142.07843	3.1
143.03381	16.1
143.08607	6.7
145.10182	4.1
147.08089	15.5
147.11699	19.5
149.09589	18.2
153.01726	3.8
156.09375	14.9
159.08070	19.5
159.09181	5.1
159.11676	3.4
161.09627	4.9
161.13217	23.0
163.11121	3.6
166.62802	2.8
167.07004	3.4
171.11667	12.8
173.09698	6.5
174.10397	45.5
187.11145	15.3
189.12761	100.0
199.11192	3.2
207.13762	25.4
255.10049	3.3
269.06598	18.6
287.07755	4.3
295.13242	9.3
313.07056	2.8
313.14273	14.1
331.15314	6.1
331.20877	9.8
493.17889	4.3
493.26239	82.3
503.50317	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2436
Annotation	Scupolin J
Peak:m/z	Relative Intensity
55.01864	1.0
55.05503	3.4
65.03950	2.6
65.14480	0.8
67.05503	7.2
69.03423	4.0
69.07057	3.4
71.04985	1.4
71.31609	1.1
81.03432	5.6
81.07085	6.1
83.04984	2.2
83.08611	2.5
85.02909	3.9
91.05476	1.2
93.07048	3.3
95.04958	6.0
95.08604	11.8
97.02883	4.2
99.08113	1.0
105.07036	2.0
107.08611	8.9
109.02905	1.7
109.06514	3.3
109.10156	37.0
111.04454	2.1
111.08070	1.1
119.08582	14.3
121.02871	100.0
121.10154	4.1
123.08073	4.3
123.11687	2.6
127.03896	1.2
133.10139	7.7
135.11702	39.2
137.09602	5.7
139.03906	15.9
139.04887	1.5
139.11194	1.1
145.04932	1.4
149.13252	1.7
151.11157	2.5
151.14806	3.4
153.12772	1.2
175.14819	14.7
193.15897	21.8
209.30627	0.9
211.16949	19.0
237.18832	1.1
265.07071	7.1
283.08145	9.4
415.26938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1504
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73647	0.4
53.03952	1.0
59.04988	0.4
63.52422	0.4
64.38380	0.4
69.03437	2.2
69.78023	2.6
71.05009	0.4
81.03422	3.9
85.02898	1.7
85.06544	0.5
87.04464	0.7
91.95560	0.4
93.07069	0.6
94.06591	0.4
95.08621	0.5
97.02903	3.0
99.04451	0.8
107.08689	0.4
109.02882	10.2
120.08110	6.3
127.03918	30.3
130.06532	67.8
131.06825	0.4
132.04459	11.0
133.10034	0.4
145.04991	2.3
146.05975	0.5
148.07578	21.6
150.27971	0.4
153.01790	2.1
155.03387	1.2
158.06017	22.9
167.07036	3.0
176.07072	100.0
177.07408	1.1
186.05536	0.5
197.04485	1.1
198.98376	0.5
204.06595	3.5
222.07623	17.9
227.12756	1.1
237.80746	0.4
276.08533	0.6
284.09100	1.9
330.09778	6.5
348.10703	3.4
366.11914	0.6
460.57214	0.5
492.31308	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.9
51.65198	0.7
53.03951	2.2
55.05516	2.0
57.07081	1.5
59.02230	0.7
59.05019	1.0
66.00951	0.7
66.02419	0.8
66.71410	0.8
67.05515	8.0
69.03430	5.6
69.07066	0.9
70.84799	1.8
70.85206	1.5
71.04997	1.3
74.15419	0.8
75.52755	0.8
78.03473	5.9
79.05483	1.6
80.05017	1.8
81.03422	7.3
81.07067	2.6
81.10110	0.9
85.02917	5.0
85.03351	0.9
85.03950	0.9
85.06554	4.1
85.11919	0.8
86.09662	0.8
91.05483	2.3
93.07056	3.3
95.04980	1.3
95.08610	18.7
96.04490	1.6
97.02898	2.2
99.04474	1.2
101.85777	0.8
105.07031	10.1
106.02921	18.9
107.08593	3.3
109.02881	4.7
109.06523	3.0
109.10168	1.7
113.05992	1.5
117.07030	1.2
119.08597	12.4
121.06502	0.9
121.10111	3.8
123.08089	8.3
123.11703	2.6
124.03956	100.0
124.11253	1.2
124.37779	0.8
127.03948	2.2
131.08574	1.7
133.06517	1.5
133.10168	3.8
135.08133	1.6
135.11714	2.7
137.09631	1.6
138.05515	7.8
145.10115	1.1
147.08098	1.7
147.11711	9.7
149.09625	15.8
151.07542	2.3
153.01749	0.8
156.09346	1.6
159.08093	0.9
161.13237	4.2
162.53798	0.9
163.11195	1.7
165.12798	1.7
171.11729	2.2
174.10442	5.1
189.12758	20.1
191.26990	0.9
207.13820	18.5
232.06149	0.9
236.46724	0.9
250.07191	5.5
261.67322	0.8
268.08176	45.6
284.07587	1.5
286.09232	34.5
314.66910	0.8
369.21857	0.9
474.21353	7.5
492.25089	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	492.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72938	1.2
61.02913	1.5
65.04498	1.2
67.05510	1.4
69.03425	1.4
69.39088	10.5
79.05500	1.3
81.03386	1.3
81.07045	3.9
85.02914	4.6
93.07056	1.5
95.08604	4.3
97.02907	1.7
97.67735	1.2
105.07018	3.6
109.10142	3.3
111.08080	1.1
119.08576	2.3
123.08087	1.5
123.11717	1.8
135.04417	1.6
137.13184	1.4
139.05457	2.9
145.10139	1.8
146.10452	1.3
165.07002	2.9
167.04933	2.9
168.05763	1.4
183.08038	6.0
183.38692	1.4
195.04359	4.4
197.05986	1.8
206.16283	1.6
207.13744	1.2
211.07552	6.8
213.05589	1.5
215.03362	1.6
225.05486	16.0
229.05032	1.8
239.07068	2.2
241.08611	4.9
253.04991	15.8
254.05734	8.6
271.05988	5.5
281.01233	2.0
281.04446	59.4
285.07587	5.8
299.05426	8.1
313.07065	100.0
314.07269	1.4
515.32642	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30215	2.7
53.03933	4.8
55.01885	5.8
55.05530	25.3
57.03426	5.5
57.07068	12.4
57.36892	2.9
61.32152	3.8
65.03929	4.9
67.05201	4.7
67.05507	41.8
69.03422	10.7
69.07069	48.0
71.05001	9.8
79.05507	18.9
81.03416	8.5
81.07063	100.0
83.04989	6.2
83.08614	26.1
85.02899	15.6
85.06541	11.8
87.04472	4.2
88.47945	3.1
91.05474	25.8
93.07046	31.8
95.04964	14.0
95.08610	93.3
97.10174	20.2
98.20676	5.9
98.97588	8.7
99.04436	4.1
99.08093	9.8
103.05515	3.6
105.07027	23.8
107.04964	12.3
107.08603	28.1
109.02908	5.2
109.06529	9.6
109.10160	59.4
109.21857	2.9
111.08075	5.2
111.11697	11.2
117.06998	3.1
119.04947	3.3
119.08616	16.7
121.02903	3.3
121.06512	9.3
121.10158	20.9
123.08086	5.2
123.11693	25.1
125.09602	7.5
125.13258	7.1
127.03947	10.7
127.07673	3.2
127.11217	5.9
128.19823	3.3
131.04927	7.0
131.08553	7.5
133.06546	5.2
133.10110	11.1
135.08092	5.7
135.11697	13.7
137.05954	7.9
137.09573	6.6
137.13278	14.7
139.07535	5.3
139.11185	4.8
143.08580	6.3
145.06508	5.0
145.10132	10.7
147.04402	9.3
147.08078	7.2
147.11708	5.6
149.09566	5.9
149.13264	13.2
151.14832	14.2
156.42288	3.4
157.10130	6.8
158.97406	6.7
159.08054	3.7
159.11713	8.2
161.06094	5.4
161.09573	7.1
161.13264	4.6
163.14796	9.6
165.09116	9.2
165.16493	4.7
167.07039	11.7
171.11716	6.9
173.13237	4.1
177.05516	4.5
177.09038	4.0
177.16396	5.0
181.04985	4.7
189.12611	6.6
191.07076	5.2
193.12236	7.8
219.13849	7.1
234.98978	19.6
237.22375	3.5
274.16165	8.8
281.28558	5.3
293.28293	5.7
311.05518	30.9
311.29581	4.2
329.06567	82.8
359.11536	21.4
385.23837	7.2
385.39276	3.2
445.35376	4.0
448.30173	3.4
459.27094	8.5
473.33069	3.7
491.12152	5.1
491.18866	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	491.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.2
57.07087	1.8
61.67714	1.1
67.05507	7.8
69.03430	1.8
69.07057	9.0
69.45175	5.8
71.05007	1.0
79.05484	4.0
81.03434	1.5
81.07065	17.2
83.04976	1.5
83.08608	4.5
85.02905	2.9
85.06551	2.2
85.10188	1.6
91.05472	4.8
93.07043	4.9
95.04971	1.3
95.08609	15.9
97.02894	1.8
97.06530	1.0
97.10179	2.8
98.20747	1.5
99.08115	2.4
101.67156	0.9
105.07037	2.9
107.04952	2.0
107.08586	5.0
109.02876	1.8
109.06553	1.1
109.10153	10.8
111.08070	1.4
111.11738	3.4
113.75964	0.8
115.05484	1.0
117.06982	1.1
119.08611	2.9
121.06538	2.1
121.10181	3.9
123.08078	1.0
123.11746	4.8
123.84551	0.9
125.09647	1.6
125.13297	1.2
127.03912	1.5
127.11148	1.1
131.08615	2.0
133.10109	1.1
135.11668	2.1
137.05971	1.5
137.13249	2.5
137.39267	0.8
139.07524	1.4
144.42149	1.0
145.10110	2.5
147.11717	1.5
149.09586	1.7
149.13301	3.0
151.07550	1.5
151.11200	1.3
151.14857	2.5
159.08182	1.2
159.11716	1.1
161.09631	1.4
163.14948	1.3
165.09140	4.0
167.07040	1.7
177.09212	1.2
177.12799	1.1
181.04955	1.6
216.14597	1.1
259.25388	1.0
275.27426	1.2
281.28265	1.4
293.28430	2.9
311.29471	1.4
401.30298	1.1
430.31775	0.9
437.59341	1.2
455.31302	1.4
459.27722	1.1
491.24728	100.0
492.25067	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	491.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12952	0.5
53.03948	1.1
55.01862	1.2
55.05498	2.3
65.03922	1.2
65.50681	0.5
67.05509	9.1
69.03416	0.6
69.07057	1.8
69.30766	4.4
71.04984	1.0
77.02654	0.5
79.05495	6.6
80.05022	1.2
81.03391	1.0
81.07062	9.4
82.06583	0.7
83.04967	1.9
83.08625	0.8
84.88280	0.5
85.02892	1.1
85.06532	1.2
91.05480	4.8
92.05789	0.7
93.05776	1.5
93.07057	7.1
94.06572	7.7
94.07224	0.6
94.07395	0.5
95.04975	3.7
95.07375	4.3
95.08604	5.9
96.08151	9.0
97.06536	1.4
97.08471	1.2
97.10173	1.3
103.05460	0.9
104.05018	0.7
105.04533	0.6
105.07013	2.4
106.06569	1.7
107.04959	4.2
107.07357	0.8
107.08594	3.4
108.08128	16.2
109.02903	0.5
109.06544	2.5
109.08408	1.7
109.10155	7.3
110.09688	13.1
111.04459	0.6
111.08067	0.6
111.10019	3.4
116.04928	0.6
117.05811	0.6
117.06995	1.3
118.06532	1.7
119.08601	5.2
120.04471	1.2
120.08110	13.5
121.06517	2.9
121.08369	1.7
121.08997	0.6
121.10151	2.5
122.06039	4.1
122.07256	1.4
122.09655	2.0
123.08061	0.6
123.11723	7.7
124.07612	3.6
125.09634	1.3
128.62285	0.5
129.06992	1.0
131.08542	2.3
132.08099	1.1
133.10095	0.7
134.05975	1.2
135.08057	1.0
135.11635	0.6
136.07581	20.6
137.05980	0.9
137.07985	3.5
137.09618	14.5
138.05573	0.6
138.09138	16.0
139.09506	3.5
143.08560	0.7
144.04399	0.7
144.08073	0.9
145.06549	0.8
145.10126	0.9
146.06013	2.8
146.09621	1.3
147.06560	0.8
147.08038	1.1
147.10016	1.0
147.11690	1.6
148.07588	5.5
149.07993	0.5
149.09642	1.2
149.13242	0.8
150.09152	4.3
151.06255	1.3
151.09517	0.8
152.07072	17.4
153.07401	3.1
153.08972	0.7
155.08594	1.0
155.10654	0.8
157.10143	0.7
159.11700	1.5
160.03902	0.6
160.07594	2.4
161.07867	0.6
162.05519	1.3
163.11282	0.7
164.07082	3.1
165.07938	3.6
165.09119	100.0
166.08612	17.8
167.07231	0.8
167.08980	5.4
167.10362	0.8
171.08089	0.7
172.03987	3.0
173.11810	0.8
173.13153	0.5
175.11194	0.9
176.07120	0.8
181.08821	0.7
183.10327	0.9
189.12695	0.6
190.05014	3.8
191.05428	0.7
194.08102	1.1
195.09122	0.7
196.09895	1.1
197.10719	2.2
198.11557	3.3
201.11255	1.2
205.12250	1.2
207.09108	1.5
208.09857	1.3
209.10770	2.7
210.09225	1.6
210.11462	6.9
211.08876	0.9
211.12288	8.4
212.09357	1.1
212.12860	3.0
213.10223	0.9
219.09190	1.5
219.13759	0.6
220.09854	1.7
221.10580	3.6
222.07803	0.9
222.11308	2.3
223.08693	1.6
223.12283	14.7
224.09412	1.7
224.12917	2.7
225.10216	6.2
225.13736	1.2
226.10974	3.7
227.11742	2.1
228.12177	0.9
229.09718	1.2
233.10698	2.7
234.11430	1.2
235.08632	4.4
235.12216	4.5
236.09258	5.0
236.12648	2.8
237.10217	14.3
237.13831	2.4
238.10851	9.8
239.11719	10.9
240.12199	4.5
241.13332	1.1
247.08519	0.7
248.09285	5.0
249.10107	11.4
249.14038	0.6
250.10699	14.8
251.08235	2.6
251.11751	25.0
252.09027	4.0
252.12277	8.1
253.09752	3.6
253.13290	5.0
254.10368	1.6
254.13690	1.7
255.11276	2.7
256.12030	4.6
257.12839	1.2
261.10172	4.0
262.11008	13.9
263.08069	2.3
263.11783	16.9
264.09003	2.7
264.12201	24.0
265.09711	11.3
265.13217	12.9
266.10455	15.0
266.13739	8.0
267.11288	31.9
268.11853	4.6
269.12845	4.9
270.12924	0.7
275.11810	1.4
275.16483	0.8
276.08936	0.6
276.12329	2.0
277.09756	3.5
277.13321	2.2
278.10458	6.4
278.13571	1.1
279.11264	47.1
280.11816	21.9
281.09583	0.8
281.12817	10.5
282.13278	6.7
283.10809	2.1
283.14090	0.8
284.11462	2.8
285.12311	7.7
288.15131	0.8
291.11267	11.9
292.11682	19.3
293.09180	1.8
293.12646	12.0
294.10092	0.8
294.13260	10.9
295.10739	3.6
295.14267	1.7
296.11472	4.5
297.12326	16.5
298.12906	3.9
299.14038	0.6
300.14575	1.0
303.17267	0.7
305.08752	1.0
307.10837	1.8
308.11359	1.9
309.12329	13.5
310.12790	21.0
311.10614	0.6
311.13861	2.3
312.14331	1.9
314.12445	0.5
315.13654	0.8
316.14456	1.5
317.15051	1.2
319.10770	6.1
320.11136	11.5
321.12341	22.9
322.12668	2.7
324.10809	2.6
325.11810	10.2
326.12201	12.5
327.13391	7.0
328.14087	2.6
329.15070	0.8
330.15839	1.2
331.16583	0.7
332.17401	0.8
333.18509	0.6
337.11829	29.6
338.12173	76.1
339.13123	3.6
340.14072	2.0
341.11322	1.0
341.15158	0.9
342.11826	2.8
343.12866	0.9
344.13748	1.1
344.17548	0.8
346.19208	3.5
348.20807	1.4
349.21454	1.1
355.12851	0.9
356.13925	1.4
358.15430	1.5
358.19452	1.0
360.17035	1.5
362.18671	0.9
367.22742	2.9
369.14554	3.1
370.15552	1.0
371.15994	1.3
372.16858	1.5
374.18533	1.5
376.20428	2.5
384.17453	1.0
385.23587	3.3
386.14627	0.9
386.18860	1.0
388.16489	1.9
390.18073	2.4
392.19568	3.5
400.16452	0.8
401.16876	1.0
402.18173	8.3
403.18552	1.3
404.19818	8.5
405.20050	0.7
414.18170	1.1
415.18774	0.7
416.19925	1.1
417.20880	0.7
417.26184	0.7
418.17618	2.3
419.21759	1.4
422.20956	1.8
429.20288	1.3
430.17346	0.7
431.18100	2.6
432.19186	36.2
433.19797	4.6
435.21344	1.7
444.19290	2.6
445.19724	2.4
446.21695	3.2
447.21191	7.9
449.19394	3.9
450.20288	3.6
456.19168	0.9
459.27512	5.4
460.18671	2.6
461.19513	6.3
462.20102	2.3
463.20749	15.4
464.21457	0.8
473.19012	6.9
473.29053	0.6
473.33496	0.7
474.20258	21.0
475.20526	1.0
490.20029	0.6
491.20282	47.6
491.30133	5.1
492.21252	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	491.3005
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03938	8.7
55.01865	8.2
55.05515	35.0
57.03424	13.5
57.07061	2.8
59.05003	3.9
63.22108	2.8
65.86427	3.6
67.05167	4.6
67.05509	62.4
69.03429	4.0
69.07077	17.6
69.69463	19.7
71.04988	7.6
79.05501	72.4
81.03423	57.0
81.07063	68.6
83.04993	19.6
83.08268	2.8
83.08630	27.9
85.02893	15.0
90.92738	3.5
91.04953	5.9
91.05489	100.0
93.07052	72.1
95.04979	45.3
95.08611	35.2
97.02856	4.2
97.06525	7.4
97.10172	11.4
98.17007	2.9
99.08070	3.5
105.07038	59.7
105.76472	3.1
107.04970	14.5
107.08597	28.5
109.06537	7.6
109.10155	9.3
111.08071	10.8
115.05482	4.7
117.07031	17.9
119.08593	38.0
121.06497	7.1
121.10134	13.1
123.08064	10.4
123.11692	13.2
125.08692	2.9
125.09629	8.2
128.06207	6.2
129.06996	27.4
131.08565	16.6
133.06506	4.8
133.10117	26.5
135.08055	3.4
135.11708	4.6
143.08572	16.9
145.06470	3.9
145.10118	21.9
147.08047	9.4
147.11705	38.0
149.09599	5.8
155.08582	4.4
157.10098	10.4
159.11694	3.2
161.09663	4.5
161.13235	10.4
163.62219	3.4
169.10208	5.7
171.08139	4.5
171.11674	23.6
175.11208	10.1
185.13464	3.9
187.13246	4.6
189.11269	3.4
189.12813	7.9
193.12253	31.9
195.11923	4.0
207.13785	15.9
211.13239	21.9
214.74742	3.1
223.13214	4.4
227.12776	7.5
249.14891	8.1
267.15881	20.0
281.17502	20.1
285.77890	3.3
329.74811	3.5
337.68155	3.0
351.25214	5.6
363.23178	7.2
399.25467	6.4
417.26297	4.2
473.28995	47.8
491.29968	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	491.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74665	1.9
53.03951	5.2
53.95446	1.8
55.01866	7.4
55.05259	1.9
55.05514	25.7
56.54424	1.8
57.03435	3.7
57.07069	2.6
59.04993	3.1
60.24317	1.9
65.03945	3.9
67.05508	35.1
69.03411	5.0
69.07071	14.1
71.04993	13.6
71.28036	2.2
71.28345	2.2
79.05498	41.2
81.03418	9.2
81.07061	46.8
83.04968	7.2
83.08623	12.9
85.02917	3.3
85.06522	8.1
91.05490	26.0
93.07053	40.4
94.06554	4.4
95.04971	19.4
95.07344	4.0
95.08612	26.6
96.08141	2.8
97.06522	8.0
97.10172	20.2
103.05424	3.8
105.07042	23.7
107.04958	35.2
107.08588	22.9
108.08105	8.9
109.02878	2.3
109.06522	14.9
109.10175	21.3
110.09651	6.6
111.04417	2.9
111.08060	2.6
117.07003	12.2
119.08584	18.2
120.08099	7.1
120.55779	2.0
121.06521	24.5
121.10156	16.7
122.06055	4.3
123.08070	6.8
123.11709	8.5
125.05959	2.4
125.09647	10.7
128.06290	2.2
129.07011	8.2
131.04906	6.5
131.08566	18.1
133.06511	3.3
133.10147	10.8
135.08035	10.2
135.11685	5.6
136.07552	12.6
137.05956	5.6
137.09631	15.4
137.13225	2.5
138.09123	6.9
139.07599	3.7
139.11159	4.0
141.06949	4.8
143.08549	7.8
145.06502	9.2
145.10135	12.7
147.08055	9.1
147.11699	5.3
148.07491	2.9
149.09613	5.6
149.13211	2.1
152.07056	13.8
153.07388	3.2
155.08516	4.6
157.06470	2.2
157.10144	4.3
159.08026	5.7
159.11688	6.1
160.07614	2.9
161.09581	3.5
163.07497	2.7
163.11180	6.7
164.07056	3.2
165.09122	100.0
166.08641	8.3
167.07178	3.1
167.08784	4.0
167.10660	4.5
169.10112	3.0
171.11644	4.1
172.03986	3.4
173.09674	2.8
173.13254	6.3
175.11165	4.3
177.12708	2.1
183.11832	2.8
185.09624	2.6
187.11172	2.9
187.14778	2.6
189.11224	7.6
189.12746	2.6
191.14301	6.7
193.12273	3.9
195.11694	3.9
198.11400	2.3
199.11250	2.0
199.13252	7.6
205.12234	2.4
210.11644	2.5
211.12177	2.5
213.12717	2.4
219.13782	12.6
223.12242	6.2
225.10248	3.7
227.14452	2.6
231.13846	2.4
233.15233	2.9
236.09135	4.0
236.13016	2.0
237.10286	7.1
238.10902	3.2
239.11652	6.1
240.12216	3.0
247.16887	4.0
248.09641	1.8
249.10207	6.4
250.10782	8.3
251.08279	1.9
251.11722	9.9
252.12381	3.2
253.09839	2.5
256.12088	2.3
261.46933	1.8
262.10837	4.4
263.08011	1.9
263.11755	9.2
264.12262	11.4
265.09671	6.9
265.13187	10.4
266.10315	6.5
266.13608	2.9
267.11322	15.5
268.11780	3.9
271.16998	2.9
273.14838	4.9
275.16342	5.9
278.10403	3.9
279.11255	27.8
280.11682	12.2
281.12817	6.2
282.13474	2.7
285.12363	3.4
287.16302	2.7
291.11130	3.1
292.11646	10.8
293.12750	5.5
294.13086	5.5
297.12305	10.8
298.12646	3.2
309.12268	10.2
310.12784	12.7
311.13712	2.3
319.10788	2.6
320.11023	7.2
321.12451	13.7
325.11795	6.3
326.12192	3.0
327.13235	6.6
328.14316	2.2
337.11813	18.2
338.12180	36.2
339.13190	3.8
339.23041	4.2
342.11664	2.9
349.21674	10.4
367.22720	21.4
369.14294	9.2
385.23749	24.9
402.18161	4.1
403.24783	4.7
404.19583	5.5
417.26456	3.2
422.20395	3.2
431.18240	3.2
432.19199	14.8
441.26312	3.1
447.21008	3.1
449.19543	3.2
450.19736	2.2
453.05469	2.3
455.31323	2.3
459.27426	43.5
460.18640	6.7
461.19659	3.0
463.20966	11.3
473.19043	4.6
473.28906	3.6
474.20105	9.1
491.19995	22.1
491.29898	56.5
492.21066	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	491.2468
Annotation	Ser Glu Gln Lys
Peak:m/z	Relative Intensity
53.03938	0.6
55.01876	0.7
55.05508	2.0
56.96568	0.6
57.03422	0.6
57.07063	1.0
64.02858	0.4
65.03936	0.5
67.05513	3.1
67.37403	0.4
69.03415	1.3
69.07072	3.9
71.04988	0.6
71.28370	0.6
78.51542	0.4
79.05502	2.6
81.03413	0.7
81.07056	7.8
83.04981	0.9
83.08604	1.8
85.02900	1.4
85.06548	1.3
85.34537	0.4
91.05513	2.0
93.07044	2.8
95.04957	1.0
95.08611	6.6
97.02874	0.8
97.10175	1.4
99.04435	0.5
99.08099	0.6
105.07028	2.4
107.04928	0.9
107.08606	3.0
109.02872	0.6
109.06534	0.9
109.10159	4.9
111.04398	0.6
111.08120	0.6
111.11721	0.8
117.07024	1.0
118.21648	0.4
119.08595	1.4
121.06473	1.0
121.10162	2.6
123.08099	0.7
123.11708	2.4
125.06019	0.8
125.09646	0.8
125.13293	0.6
127.03868	0.9
131.04955	0.4
131.08569	1.3
133.10138	1.8
135.08080	0.4
135.11688	1.4
137.05957	1.1
137.09624	1.5
137.13313	1.0
139.07439	0.5
139.11182	0.7
143.08507	0.6
145.06436	0.7
145.10114	1.1
147.04407	0.5
147.08067	0.7
147.11676	1.2
149.09668	0.9
149.13263	1.0
151.07527	0.6
151.14873	0.5
153.01811	0.6
153.05470	0.6
155.01929	0.5
159.11690	1.1
161.09598	0.8
161.13214	0.5
163.07452	0.4
163.11246	0.7
163.14870	0.8
165.09088	2.1
165.16350	0.5
167.07045	1.8
171.11700	0.6
173.13321	0.5
175.11180	0.6
175.14835	0.5
179.03763	0.4
181.04965	1.1
199.44518	0.5
201.12866	0.6
209.11694	0.7
245.05099	1.2
265.10284	0.5
293.28458	0.7
305.08252	0.5
311.29303	0.4
329.06607	1.6
339.13382	0.5
341.74948	0.4
399.15457	0.5
461.97601	0.4
473.32410	1.0
491.24673	100.0
492.25494	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77708	3.8
55.05511	12.0
57.03440	5.9
57.33994	4.2
67.05511	38.3
68.05836	5.3
69.07059	8.5
69.23905	14.0
69.24323	28.7
70.82083	3.5
72.74349	4.7
79.05502	13.1
81.07078	30.2
82.07378	4.4
83.04982	4.6
83.08618	8.4
84.67600	4.3
91.05493	10.9
92.05810	4.0
93.07058	23.4
95.05034	3.5
95.08619	29.8
96.08973	4.2
98.21441	8.4
105.07037	18.8
107.08595	32.0
109.10136	31.4
110.10530	6.1
110.13739	4.2
117.07010	4.1
119.08582	18.7
120.08934	5.5
121.10163	19.3
123.11769	6.9
131.08626	4.8
133.10144	13.3
135.11723	19.6
139.11195	6.4
143.08534	4.4
145.10139	16.1
147.11720	10.7
149.13261	6.2
157.10135	6.4
159.11693	10.8
161.13200	4.5
163.14868	14.1
171.11855	4.8
173.11800	5.0
173.13255	7.4
175.14815	8.5
181.15910	19.5
185.13391	4.8
187.14726	4.7
191.18024	5.3
201.16399	19.0
203.17950	19.7
213.16425	4.7
219.17444	24.3
227.17941	7.1
234.13373	4.0
235.20775	3.8
237.18503	24.4
376.84180	3.8
391.33630	15.7
402.34030	3.9
409.29465	7.5
409.34711	100.0
427.35806	41.8
445.36771	67.9
458.17352	4.0
485.09625	4.5
490.29755	4.9
490.35861	36.1
490.42596	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	490.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01868	9.9
55.05507	31.1
56.96560	10.3
57.03432	7.2
61.02914	6.8
67.05503	69.1
69.03420	24.2
69.07065	33.3
69.43319	49.4
71.04989	13.1
71.65311	5.4
79.05493	57.1
81.03422	21.4
81.07056	100.0
83.04976	17.3
83.08614	27.4
85.02887	31.5
85.06545	9.1
89.12311	5.3
91.05492	56.8
93.07040	68.5
95.04977	16.6
95.08600	52.9
97.02880	24.8
97.06513	12.5
97.10165	11.2
98.97577	12.6
105.07033	56.1
107.04960	15.3
107.08588	44.9
109.06532	13.6
109.10157	23.0
111.08048	11.2
117.07014	14.6
119.05006	7.0
119.08554	46.2
121.06538	9.2
121.10137	32.8
123.08074	11.5
123.11697	9.6
125.09709	7.6
127.03901	15.3
129.06967	11.5
131.08557	14.3
133.10173	37.1
135.08037	12.9
135.11693	36.0
137.09625	9.0
145.04956	9.0
145.10120	22.8
146.10472	6.3
147.11719	32.2
149.09641	16.5
149.13258	12.5
150.09117	11.9
151.11212	6.7
159.11728	23.8
161.13373	7.0
163.11234	14.2
165.09102	6.2
165.12778	6.8
172.51694	6.9
173.13231	8.8
177.12865	6.7
181.12254	44.5
195.13818	40.2
199.13344	16.3
213.14819	11.4
237.41217	6.1
244.60312	6.3
257.19122	7.8
263.12164	6.8
275.20035	91.5
293.21118	19.3
303.15839	9.6
310.12439	6.0
359.17300	7.3
395.52643	7.0
398.15308	9.0
399.15576	9.4
458.17084	15.5
472.18817	7.0
490.19482	15.8
490.32080	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	490.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07912	7.7
51.64633	7.6
53.03938	9.7
55.05512	42.0
56.96572	40.0
57.03437	15.6
57.07055	18.8
62.09153	7.1
67.05511	73.0
69.03423	33.1
69.07069	38.0
71.04984	14.1
71.62225	7.9
79.05490	63.3
81.03426	20.5
81.06628	9.6
81.07056	100.0
82.07378	8.1
83.04993	16.8
83.08594	20.6
84.96010	11.4
85.02903	33.2
87.04461	10.9
91.05472	62.0
93.07043	76.7
95.04968	28.9
95.08605	79.5
97.02878	31.7
97.06539	20.2
97.10198	9.8
98.97586	87.2
99.04448	9.3
99.08129	7.7
105.07047	53.4
106.07345	8.8
107.04939	15.7
107.08577	62.9
108.08970	8.6
109.06501	9.3
109.10133	39.8
110.97559	8.9
111.08037	9.2
115.03908	12.1
116.98630	35.0
117.07009	13.3
119.08565	57.5
120.08850	9.0
121.06499	9.2
121.10173	42.3
123.08035	14.2
123.11691	13.1
127.03910	24.4
128.98567	17.1
129.06964	8.1
131.08559	22.4
133.10094	44.6
133.91095	7.2
134.10472	10.2
135.08092	10.2
135.11667	59.3
137.09587	12.6
143.00137	17.9
145.10143	36.2
147.11681	31.3
149.09647	19.3
149.13274	21.4
151.11256	12.2
157.10167	12.4
158.99699	14.9
159.11688	27.9
161.01189	10.4
161.13208	10.2
163.11154	18.7
170.99625	16.8
173.13257	15.9
174.10567	7.8
177.00703	19.5
177.16333	8.9
177.30328	10.7
178.16777	9.2
180.08928	8.3
181.12291	39.0
183.11780	8.3
187.14798	12.3
195.13831	31.9
199.13235	10.4
201.00764	9.5
203.18076	10.2
205.15851	8.1
219.01768	30.4
237.02840	30.2
241.16110	8.1
246.11205	24.5
252.63768	8.6
257.18872	7.6
275.19986	71.5
284.02875	7.5
293.21085	11.7
315.58585	8.3
341.90994	9.9
343.20444	22.0
359.17371	60.1
377.18381	31.8
400.19839	8.9
473.28796	11.0
490.20047	10.3
490.28534	33.3
491.21411	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	490.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.0
55.01867	9.3
57.07087	9.9
59.04993	7.1
67.05497	7.2
69.03422	9.3
69.07056	8.7
70.02943	7.4
70.06589	3.5
71.04961	3.5
71.05316	4.6
72.04517	26.8
73.02912	13.5
81.03420	26.3
81.07063	3.0
83.04974	6.1
85.02901	10.9
85.06557	11.6
86.09696	6.1
87.08124	2.9
89.06025	17.3
90.05022	3.8
90.05551	41.8
95.04966	9.2
96.08125	5.4
97.02884	11.5
98.02400	21.0
99.04473	6.5
100.03952	7.8
103.07596	6.8
104.07125	2.3
105.88118	1.9
107.04962	2.3
109.02879	31.5
113.06006	8.1
116.03460	20.3
124.07587	25.9
124.11309	3.0
127.03918	78.6
132.06529	10.0
133.08588	6.0
138.05519	4.4
142.08646	17.9
145.04930	10.6
147.04405	5.9
160.09732	6.9
161.11775	2.7
166.08673	4.7
172.09665	5.0
174.11208	5.3
184.09692	36.7
198.07654	6.5
199.05984	4.8
202.10748	100.0
211.09718	13.9
212.09215	2.5
215.93530	2.5
216.08662	11.7
217.07079	3.4
220.11827	20.8
230.10176	12.2
234.09705	22.6
244.11839	5.2
262.12869	19.8
310.12878	8.6
311.20618	8.4
328.13870	39.4
346.14935	8.9
360.12946	7.0
364.16019	9.7
472.18674	3.8
491.21088	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	490.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33951	0.1
53.03928	0.5
55.01847	0.5
55.05503	0.2
65.03914	0.5
67.05510	1.1
69.07043	0.5
71.61739	0.2
71.62115	0.3
79.05505	2.2
80.05019	1.2
81.03377	0.3
81.05788	0.4
81.07022	0.7
82.06592	0.9
91.04966	0.1
91.05479	2.5
92.04984	0.3
93.05774	1.3
93.07043	3.8
94.06020	0.3
94.06566	5.3
95.04945	0.6
95.07352	3.7
95.08607	0.9
96.08135	7.3
97.06544	1.0
102.10946	0.2
103.05428	0.7
104.04946	0.2
105.05769	0.4
105.07016	0.4
106.06573	0.9
107.07304	0.4
107.08564	0.5
108.04511	0.2
108.08121	10.4
109.08881	0.5
109.10147	0.4
110.06030	0.3
110.09680	12.1
115.05397	0.2
116.04951	0.5
117.05742	0.4
117.07041	0.2
118.06523	0.6
119.08539	0.5
120.04468	1.0
120.08108	9.1
121.06485	0.4
121.10104	0.5
122.06034	4.0
122.09630	0.8
123.06763	0.7
124.07606	2.1
127.11127	0.2
130.06525	0.3
131.08560	0.3
132.08054	0.6
133.10124	0.2
134.05968	0.7
136.07579	13.6
138.05470	0.6
138.09143	13.7
142.06558	0.2
143.07329	0.2
144.04439	0.6
144.08026	0.4
145.10106	0.3
146.05994	2.0
146.09621	1.8
147.11647	0.2
148.06506	0.3
148.07576	4.0
149.09560	0.2
149.13194	0.2
150.05370	0.3
150.08105	0.2
150.09154	2.9
152.07074	9.4
154.04979	0.6
158.05984	0.2
159.11658	0.2
160.03920	0.3
160.07529	1.5
162.04221	0.2
162.05502	0.7
164.07088	3.1
165.09032	0.4
166.08641	17.3
167.07185	0.3
169.07510	0.2
170.05876	0.2
172.03929	2.0
174.05508	0.3
174.09210	0.3
175.24557	0.2
176.07027	0.8
177.16342	0.2
180.08098	0.2
181.08870	0.2
182.08154	0.8
182.09634	0.3
182.78571	0.2
184.09880	0.4
184.65053	0.2
187.14740	0.2
188.03432	0.4
188.15248	0.2
189.16342	0.2
190.04973	2.5
192.06406	0.2
192.08081	0.2
193.07571	0.4
194.08195	0.5
194.09729	0.4
194.11508	0.2
195.09126	0.4
196.09944	0.4
197.10701	0.8
198.11530	1.0
199.12350	0.3
200.09430	0.2
201.16365	0.4
202.16753	0.3
204.08229	0.2
204.10234	0.2
205.15869	0.5
206.08350	0.5
206.16141	0.2
207.09113	0.9
208.09882	0.7
209.10649	1.2
210.09105	0.4
210.11464	1.2
211.08728	0.4
211.12315	2.1
212.09361	0.3
212.13049	0.3
213.10295	0.3
219.09207	0.8
220.09830	1.7
221.07117	0.5
221.10730	2.1
222.07707	0.4
222.11366	1.7
223.08583	0.8
223.12262	2.6
224.09286	1.0
224.12978	0.4
225.10257	2.1
225.13884	0.6
226.10965	0.7
227.11797	1.6
232.09782	0.3
233.10713	0.6
234.07721	0.3
234.11577	0.4
235.06407	0.3
235.08676	4.8
235.12259	2.8
236.09395	2.9
236.12921	1.0
237.10226	6.6
237.13779	1.3
238.10986	3.1
239.11797	6.9
240.12489	0.3
241.09492	0.3
241.13432	0.3
242.10503	0.3
243.11278	0.8
245.10686	0.3
246.11530	0.2
247.08583	1.2
247.12320	0.5
248.09427	7.4
249.10231	18.0
250.07191	0.3
250.11012	8.0
251.08081	0.8
251.11790	9.8
252.08905	0.8
252.12556	1.4
253.09695	1.3
253.13371	2.3
254.10431	0.3
255.11267	0.8
256.12094	0.3
257.12857	0.3
261.10251	0.9
262.11032	1.5
263.11798	35.4
264.08978	2.1
264.12531	8.6
265.09735	4.4
265.13333	11.1
265.16199	0.4
266.10486	2.4
266.14023	0.7
267.11301	5.4
268.12042	0.3
269.12735	1.0
271.10577	0.4
275.08713	0.2
275.11813	1.3
276.09027	0.9
277.09750	3.6
277.13208	0.5
278.10501	4.1
279.11279	21.7
280.12027	1.4
281.12842	7.2
281.15332	0.2
282.10013	0.7
282.13269	0.3
283.10812	2.5
283.13968	0.3
284.11456	0.6
285.12277	1.0
289.09558	0.4
290.10455	0.6
291.11276	28.8
292.12042	6.1
293.12842	14.8
294.10016	0.4
294.13156	0.3
295.10849	3.1
295.14215	0.4
296.11459	0.7
297.12332	5.3
298.13229	0.2
299.13879	0.6
301.12195	0.2
304.08389	1.1
305.09280	0.2
305.12491	0.2
307.10809	2.1
307.14117	0.3
309.12329	23.5
310.12802	0.8
311.13907	1.5
313.11844	0.3
314.12811	0.2
314.16687	0.2
315.13806	0.3
316.14410	0.5
319.10776	15.8
321.12399	1.6
323.10327	2.3
323.13916	0.3
324.11078	0.3
325.11823	16.6
326.12390	0.4
327.13464	1.8
328.14389	0.7
330.15961	0.4
337.11819	100.0
338.12204	2.8
339.13297	1.3
340.14374	0.2
341.11359	3.4
341.15277	0.1
342.15924	0.4
344.17651	0.3
351.13599	0.5
355.12863	0.8
356.13861	0.6
356.17795	0.3
357.14514	0.2
358.15442	0.4
358.19528	0.3
370.15616	0.5
372.16925	0.4
374.14706	0.2
374.18915	0.3
376.20172	0.2
384.17325	0.3
386.14841	0.2
388.16214	0.3
392.19391	0.2
400.20703	0.2
401.17618	0.5
402.18240	1.0
404.19763	1.0
408.33496	0.4
412.16507	0.4
418.21582	1.4
420.19409	0.3
428.19656	0.7
430.17679	2.0
431.18231	0.3
432.19263	1.1
434.20670	0.5
444.19235	2.1
446.20810	5.5
448.18753	2.2
449.19452	0.4
458.17307	0.2
462.20251	9.6
463.20779	0.4
472.18719	5.2
474.20407	0.6
490.19736	27.6
491.20441	1.5
515.92035	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3578
Annotation	Cimigenol
Peak:m/z	Relative Intensity
55.05516	17.4
55.57333	7.4
57.07064	11.4
65.16051	6.6
67.05497	25.9
69.07060	14.9
69.55640	27.5
69.56069	28.0
70.57893	7.2
78.89458	7.1
79.05501	10.7
81.07065	47.4
83.04938	7.8
83.08633	12.3
85.62457	9.1
91.05488	15.4
93.07043	45.1
95.08619	100.0
98.21449	15.6
105.07030	69.8
107.08590	75.2
109.10181	42.6
117.07037	22.4
119.08578	86.6
121.10162	58.9
123.11665	14.4
131.08580	52.2
133.10138	60.3
135.11696	17.7
143.08585	17.7
145.10121	51.6
147.11673	30.5
149.13258	27.0
157.10161	14.4
159.11732	39.1
161.09599	8.8
161.13249	31.1
161.80406	7.1
163.14809	23.2
168.38251	7.4
173.13368	47.7
175.11157	10.5
175.14825	32.9
177.16422	77.6
185.13223	11.3
187.14812	57.0
189.16455	38.5
191.14304	58.6
191.17958	17.2
199.14937	15.4
201.16350	21.7
203.14331	48.0
203.17928	71.7
205.15894	84.8
205.19618	10.8
213.16435	9.2
221.15392	31.5
222.15959	9.9
229.15880	26.4
231.17570	8.9
235.16673	7.6
243.17630	9.0
249.18591	23.2
294.51300	8.4
379.33585	11.8
395.32864	15.1
407.33237	62.9
425.34088	37.5
435.32697	18.5
453.33282	30.3
471.33771	14.9
489.35236	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	490.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.4
65.03940	1.0
67.05495	0.8
69.03426	0.9
69.07047	0.6
70.00301	1.9
72.72373	0.3
79.05490	0.6
81.03391	1.4
81.07044	1.4
83.08627	0.6
85.02896	1.3
91.05476	10.2
92.05766	0.5
93.07051	0.8
95.04966	0.6
95.08601	1.1
97.02886	0.5
98.97610	0.5
99.04417	0.6
105.07039	1.2
107.08563	0.4
109.02852	0.5
109.10145	1.2
119.04939	21.0
119.08572	1.0
127.03896	0.7
133.10156	0.8
135.04414	0.9
137.05975	0.6
145.10126	0.7
147.04407	100.0
148.04752	1.4
156.03546	0.4
160.95180	0.4
163.03963	0.6
165.05440	0.8
165.09116	2.1
166.09512	0.7
173.06081	0.4
173.13240	0.5
291.08636	0.9
309.09991	0.6
328.11646	1.0
390.88171	0.5
472.31464	0.4
480.59668	0.4
490.17740	0.6
491.48212	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
55.05501	3.3
57.07075	1.1
66.52364	0.7
67.05493	4.7
68.11517	0.7
68.55917	0.7
69.07059	4.4
70.85870	2.6
79.05505	4.7
81.07062	10.1
83.04990	1.5
83.08629	2.5
91.05482	4.9
93.07046	10.4
95.04962	1.2
95.08611	13.2
97.06545	1.0
105.07027	10.6
107.08589	14.1
109.06516	2.8
109.10165	9.6
111.08056	1.3
117.07019	2.6
119.08581	15.9
120.78835	0.8
121.06464	1.1
121.10154	13.9
123.08083	4.0
123.11723	3.9
129.06996	0.9
131.08566	7.5
133.10150	11.1
135.08090	2.0
135.11705	7.7
137.09714	1.0
137.13217	1.0
141.79263	0.7
143.08585	1.7
144.09381	0.9
145.10117	11.2
147.11688	10.3
149.09634	2.1
149.13260	5.1
151.11208	2.2
157.10164	2.8
159.11697	8.7
161.13213	4.3
163.11223	1.3
163.14838	6.1
171.11713	2.8
172.12515	1.1
173.13264	5.3
175.11293	0.8
175.14850	6.4
177.12746	1.0
177.16377	6.2
185.13271	2.4
187.14847	12.7
189.16389	5.6
191.14452	1.7
191.17987	1.3
199.14827	3.2
201.16396	17.8
203.14488	0.9
203.17917	5.9
205.15907	19.9
207.17534	1.0
211.14847	1.4
213.16415	1.8
215.17972	2.8
217.15863	1.2
219.17459	2.3
223.15030	1.2
223.16924	6.1
229.16048	1.1
229.19492	2.1
231.17519	1.1
241.19510	1.6
243.21156	1.8
247.16853	4.8
249.18578	1.4
251.16444	1.2
255.21114	5.6
257.22794	1.5
269.22607	1.6
277.13980	0.9
287.19827	0.9
289.21555	1.4
301.21643	2.5
303.23264	1.2
315.23413	1.6
340.82205	0.8
347.25720	6.6
373.27652	4.3
373.98538	0.9
389.32068	1.6
404.37421	0.9
407.33002	5.2
425.34171	6.0
435.32861	4.0
443.35257	100.0
444.35495	4.1
453.33633	1.3
471.34622	2.5
489.35895	6.3
509.13397	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3575
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
53.03937	7.7
54.88894	4.7
55.05493	17.9
57.03449	5.1
67.05494	22.8
69.03432	5.5
69.07057	21.4
79.05482	26.1
81.03405	7.7
81.07060	39.7
83.04972	8.7
83.08598	5.8
91.05471	30.5
93.07045	39.7
95.04945	15.4
95.08613	54.5
97.06535	6.2
105.07037	47.4
107.04991	6.3
107.08604	62.6
109.10152	32.0
111.08074	6.0
112.77197	5.8
117.07007	9.8
119.07908	5.8
119.08594	71.5
121.10162	42.8
123.11707	8.1
131.08565	36.5
133.10121	49.7
135.08070	7.1
135.11707	29.6
137.09552	8.6
144.09416	6.3
145.10120	62.9
147.11674	32.1
149.09598	8.0
149.13240	16.5
153.08940	5.1
159.11685	40.1
161.13255	20.1
163.11171	23.3
163.14804	16.3
165.09187	12.8
171.11726	7.7
173.09679	5.6
173.13246	24.4
175.11191	7.1
175.14822	28.4
177.16302	29.1
185.13243	11.4
187.14850	54.4
189.16368	56.7
191.17944	7.9
199.14717	7.7
201.16368	77.9
203.17979	25.5
205.15883	100.0
207.17418	21.9
213.16396	10.3
215.17963	6.3
217.12335	8.2
219.17421	15.2
223.16957	8.5
233.15520	6.0
241.19444	8.4
247.17012	10.1
389.31647	6.2
395.11490	5.5
407.33142	55.9
425.34192	37.1
435.32547	11.0
453.33472	15.5
471.30981	8.0
489.26608	6.2
489.32553	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	489.3576
Annotation	Cimigenol
Peak:m/z	Relative Intensity
55.05491	17.0
63.84856	12.2
66.31023	11.2
67.05501	29.4
69.07055	18.3
70.98174	28.4
79.05520	14.9
81.07043	49.2
82.29099	10.8
83.04967	13.8
91.05447	21.4
93.07032	41.4
95.08592	69.0
105.07011	66.9
107.08599	65.9
109.10156	39.6
119.08585	65.3
119.84180	9.8
121.10157	47.5
123.11700	19.6
129.06976	11.4
131.08549	42.1
133.10112	47.5
135.11655	23.6
143.08487	13.8
145.10106	50.5
147.11717	52.3
149.13281	27.1
151.79665	11.0
159.11703	35.8
161.13223	11.9
163.14806	19.7
173.13287	55.0
175.14809	40.6
177.16400	49.3
187.14908	50.6
189.16379	26.6
191.14301	39.4
201.16447	21.0
203.14346	29.7
203.17937	69.4
205.15895	100.0
210.28633	14.3
221.15263	20.0
223.16844	18.2
249.18533	20.2
407.32904	46.4
425.33920	26.6
435.32800	24.7
453.33508	23.7
489.35922	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.358
Annotation	salvin B
Peak:m/z	Relative Intensity
55.05501	11.1
56.97264	8.0
57.07072	9.1
67.05499	34.4
69.03428	6.9
69.07072	28.4
79.05491	27.4
81.07049	70.3
83.04993	9.7
83.08637	13.2
85.06551	10.1
91.05497	33.2
93.07047	74.1
95.04960	10.0
95.08611	100.0
96.12246	7.9
97.06558	13.5
97.10184	13.4
105.07027	82.3
107.08589	82.5
109.06483	12.7
109.10149	59.2
111.08079	8.2
116.42785	6.5
117.07108	15.7
119.08567	96.5
121.06527	11.8
121.10148	85.0
123.08064	14.4
123.11726	25.1
125.04978	6.5
127.03914	10.7
129.07019	18.2
131.08560	41.3
133.06465	8.4
133.10143	66.9
135.08067	12.0
135.11694	61.9
137.13264	10.2
143.08548	24.5
145.10127	65.7
147.08182	7.9
147.11708	64.8
149.12161	8.5
149.13284	22.7
157.10143	19.7
158.11038	9.2
159.11670	57.6
161.09599	8.2
161.13293	31.9
163.14853	32.9
165.09135	7.2
169.10159	10.2
171.11691	25.9
173.09782	8.3
173.13240	36.9
175.14803	40.1
177.16400	26.4
181.20641	7.6
183.11751	11.2
185.13258	33.4
187.14824	34.4
189.16425	54.3
191.14348	10.8
191.18005	60.8
197.13202	7.7
199.14832	24.2
201.16406	20.5
203.14310	27.6
203.18011	50.9
205.15932	30.2
207.17429	16.7
213.16385	11.8
215.14288	9.0
215.18001	12.5
217.15895	19.2
221.15396	11.5
231.13840	24.8
233.15240	10.4
235.16861	10.6
249.15228	7.1
287.88440	7.0
407.33145	43.3
425.34335	57.8
435.32593	13.9
443.34888	14.3
453.34067	60.2
471.35416	44.6
489.34674	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
53.34906	5.7
55.05510	16.1
57.07088	7.9
57.96431	5.1
67.05500	24.5
68.27807	6.0
69.07062	16.5
69.44431	37.2
69.62387	5.5
71.04987	8.5
79.05501	26.1
81.03437	6.3
81.07050	67.9
83.04977	10.4
83.08596	9.4
86.59787	4.9
91.05486	32.1
93.07059	53.1
95.04980	7.2
95.08609	100.0
96.79556	5.3
97.10173	6.8
98.21388	19.8
98.97597	6.7
105.07037	66.8
107.08611	80.1
109.06510	9.7
109.10152	43.6
111.08066	7.7
117.07001	28.3
119.08580	76.4
119.61252	5.9
121.06518	9.8
121.10146	56.8
123.11721	12.1
131.08553	45.1
133.10123	49.1
135.08017	10.5
135.11696	24.9
143.08568	15.8
145.10132	55.4
147.08032	7.2
147.11716	51.7
149.13275	19.7
157.10172	19.4
159.11678	38.7
161.09550	6.9
161.13287	30.5
163.14862	22.8
165.09041	29.0
171.11725	10.1
173.13284	64.5
173.60558	5.9
175.14822	52.8
177.12775	9.5
177.16388	77.8
185.13298	16.8
187.14818	54.4
189.16281	30.0
191.14308	61.9
191.17944	19.3
199.14854	11.0
201.16431	16.9
203.14359	46.6
203.17960	65.8
205.15887	85.9
213.16362	11.4
215.17932	10.6
216.13266	7.0
219.13789	6.7
221.15358	39.0
229.15800	10.2
247.16878	6.0
249.18521	14.2
311.23441	9.0
326.22470	6.1
379.33719	10.6
389.31906	7.7
395.32974	10.0
407.33252	64.8
425.34122	40.5
453.33603	14.1
489.27454	16.4
495.29059	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	489.3577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	10.6
67.05499	11.5
69.07070	15.1
69.56651	21.5
72.51080	2.8
74.11565	3.3
75.71411	2.7
77.33579	2.5
79.05495	10.1
81.07063	41.4
83.04968	7.0
83.08612	6.9
91.05491	14.6
93.07050	29.4
95.04972	4.0
95.08608	62.5
97.10171	5.9
105.06383	3.6
105.07037	51.3
107.08596	46.9
109.06480	3.2
109.10151	30.6
111.08094	4.1
114.68070	2.7
117.07030	6.4
119.07771	4.5
119.08586	58.1
121.06504	5.3
121.10143	37.1
123.08056	3.2
123.11739	15.7
124.22658	2.4
125.09606	4.2
129.06993	3.4
131.08577	35.0
133.10139	38.6
135.08113	5.3
135.11688	18.5
137.09595	3.9
143.08549	6.9
145.10124	45.5
147.11685	41.6
149.09586	3.5
149.13261	20.1
153.01779	5.4
153.09093	3.6
157.10132	9.1
158.10956	3.0
159.11684	34.7
161.09662	7.1
161.13226	19.5
163.11221	3.9
163.14821	17.9
165.09096	6.1
171.11694	7.8
173.13264	43.8
175.11195	3.1
175.14816	38.2
177.12752	7.4
177.16386	47.8
185.13246	8.8
187.14818	59.0
189.12727	5.2
189.16364	23.0
191.14284	23.4
191.17966	12.8
199.14809	12.4
201.16368	19.7
203.14345	20.4
203.17947	69.6
205.15874	100.0
205.19502	12.4
209.15395	3.7
213.16388	10.0
215.17793	5.2
217.15852	4.8
217.19415	3.4
221.15337	13.3
221.18956	2.9
223.16837	6.0
231.17546	6.8
235.16963	2.9
239.16249	3.5
243.17668	2.9
249.18451	15.6
377.32059	5.1
379.33481	4.7
389.32004	3.7
395.28683	3.7
395.33331	7.4
407.33035	24.3
409.35001	4.3
423.32809	5.7
425.34146	17.5
435.32501	11.2
441.33530	6.1
453.33734	24.5
510.37729	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	489.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03440	0.3
53.03933	0.6
54.90329	0.3
55.05510	1.6
57.03433	0.3
65.03941	0.3
67.05167	0.5
67.05508	7.3
69.03418	1.2
69.07053	0.9
70.29579	0.3
71.04988	0.9
71.62048	0.4
77.03898	0.3
79.05487	1.1
81.03422	0.4
81.07063	4.7
83.04974	1.1
83.08617	0.5
85.02907	0.6
85.06551	2.5
87.04508	0.3
91.05499	2.1
93.07046	2.6
95.04974	0.6
95.08613	15.3
97.06544	0.5
97.10148	0.3
98.09689	0.3
99.04454	1.3
101.06030	0.5
105.07044	2.2
107.04929	0.4
107.08614	2.2
109.06532	0.8
109.10160	7.4
111.08067	0.8
113.06010	2.1
113.09650	1.1
117.07005	0.3
119.08595	4.5
121.06543	0.4
121.10136	1.7
122.07296	2.4
123.08071	3.6
123.11709	1.6
124.11157	0.3
125.09608	0.7
129.06981	0.4
129.09117	0.4
131.08563	0.9
133.06561	0.3
133.10138	1.2
135.08035	0.7
135.11661	1.1
137.05998	1.6
137.09622	13.4
137.13184	0.4
139.07564	0.4
141.09103	4.5
143.08583	0.4
143.28746	0.3
145.10124	0.7
147.04414	0.9
147.07953	0.3
147.11719	1.0
149.09625	3.1
149.13242	0.6
151.07552	3.5
151.11153	0.4
153.01801	0.4
153.09100	0.5
154.09404	0.3
155.08664	0.3
155.10617	0.4
157.08682	0.4
157.10037	0.5
158.84024	0.3
159.08064	0.4
159.11696	1.0
161.06050	0.3
161.09561	0.7
161.13297	0.6
163.07509	0.5
163.11177	0.5
163.14833	0.6
165.09119	100.0
166.09430	1.3
167.07089	0.7
169.08621	1.4
171.11685	0.6
173.09575	0.5
173.13231	0.6
175.11185	1.1
175.14864	0.5
177.09108	0.6
177.12741	0.4
179.07008	0.5
179.10608	0.7
187.09708	3.4
187.14874	0.5
189.12761	0.9
191.10732	0.6
201.11169	0.4
201.12859	0.5
203.10730	4.5
203.14374	0.6
203.17879	0.3
205.12257	2.7
205.15947	0.3
207.10194	1.0
217.12292	0.6
222.93124	0.3
245.15453	0.3
285.11542	0.3
291.23367	0.5
293.21042	0.4
307.22659	1.0
317.20993	0.3
319.22653	0.7
325.23712	0.6
337.23849	2.5
373.17151	0.3
443.31668	1.0
471.31042	1.0
489.17416	0.9
489.24390	0.6
489.32010	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	489.3574
Annotation	Asiatic acid
Peak:m/z	Relative Intensity
55.05503	12.8
55.68112	4.2
67.05488	16.8
69.07051	16.1
69.48040	30.0
69.48443	8.4
79.05477	24.5
81.06723	3.6
81.07070	40.7
83.08601	14.3
86.72166	4.3
89.17321	4.3
91.05491	12.5
93.07042	41.2
95.08028	7.8
95.08607	96.3
97.10158	7.9
105.07039	75.9
107.08598	78.8
109.10162	45.4
117.06995	18.8
119.08585	70.5
121.06510	5.3
121.10173	44.6
123.08047	7.7
123.11672	13.6
125.16568	4.6
125.17480	4.3
131.08568	43.6
133.10136	39.2
135.07970	4.4
135.11702	26.0
143.08501	10.7
145.10132	55.9
147.11713	37.1
149.13245	21.9
157.10091	13.9
159.11708	46.6
159.28719	4.1
161.09534	6.5
161.13231	35.5
163.14804	24.2
171.11707	11.6
173.11969	4.2
173.13287	52.4
175.13632	4.7
175.14842	47.9
177.12743	12.0
177.16394	94.7
185.13237	11.2
187.14807	71.9
189.16347	35.8
191.14317	77.5
191.17955	19.9
193.01648	4.6
199.14786	15.5
201.16371	20.7
203.14355	71.2
203.17940	89.8
205.15884	100.0
205.19458	17.9
213.16376	11.8
217.19498	4.6
219.17445	6.0
221.15349	46.7
227.17917	5.0
229.15941	23.3
229.19460	6.8
231.21275	5.9
235.16982	14.1
249.18501	21.0
294.93539	4.9
311.23636	9.1
377.32089	7.0
389.32166	9.3
395.32971	14.7
407.33191	62.6
425.34229	32.1
435.32468	19.0
453.33636	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05187	1.4
53.03942	5.4
55.01880	2.0
55.05506	5.9
65.03924	4.2
67.05506	12.4
68.87618	1.7
69.03432	11.3
69.07047	3.9
70.06584	1.5
71.05003	2.5
71.61221	2.9
79.05493	14.5
81.03401	4.7
81.07066	10.5
83.04977	5.2
85.02901	5.1
85.06530	5.0
91.05473	11.9
93.07071	8.0
93.07536	1.3
95.04986	11.5
95.08610	22.4
97.02879	3.9
97.06554	2.4
98.97594	2.4
99.04475	2.2
103.05482	7.3
105.07039	17.9
107.08614	9.1
109.02894	4.3
109.06518	4.2
109.10172	9.7
111.04414	3.2
111.08086	2.5
113.06004	2.5
115.05453	1.5
117.06994	1.7
119.04915	1.5
119.08589	13.8
121.02876	91.3
121.06505	8.6
121.10122	7.2
123.08101	8.0
123.11669	2.1
125.09602	2.4
127.03910	5.6
127.07561	1.9
127.11159	2.3
130.08679	1.9
130.65137	1.4
131.04953	3.4
131.08589	5.7
133.06494	100.0
133.10107	7.7
135.04451	1.9
135.08064	6.0
135.11700	3.6
137.05989	4.3
137.09613	13.8
139.03888	5.2
139.11189	2.2
141.09122	1.5
143.08525	2.8
145.06482	2.0
145.10159	5.8
146.24518	1.4
147.04411	4.5
147.08032	3.7
147.11711	4.7
149.09613	4.5
151.07584	4.5
153.01822	4.5
157.10197	3.2
159.11780	1.9
161.05952	2.0
161.09622	4.8
161.13319	4.2
163.07599	3.5
163.11188	9.6
165.09117	57.0
167.07010	4.4
169.08630	1.8
171.11668	2.5
173.13231	4.2
175.07555	2.5
175.11169	2.5
175.14824	2.0
177.05544	1.9
177.12636	1.9
179.10814	1.7
181.04959	1.6
185.13231	1.8
187.11217	2.3
187.14847	1.9
189.12735	27.3
191.14322	14.5
192.00633	1.5
203.10725	1.8
205.12317	3.8
207.13826	21.3
207.60027	1.7
217.15875	1.6
264.30777	1.6
265.07007	3.5
283.08176	5.4
291.20010	2.0
327.11951	2.2
471.31461	4.0
489.21658	16.2
489.31830	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	489.212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32132	0.3
51.02362	0.3
53.03935	0.6
55.05499	0.9
55.82745	0.3
59.04987	0.8
65.03938	0.4
67.05495	1.3
69.03435	1.9
69.07050	0.7
71.34265	0.6
74.99502	0.3
79.01865	4.6
79.05504	0.3
80.84195	0.3
81.03422	3.1
81.07069	1.7
83.04987	1.8
83.08624	0.5
85.02891	0.6
91.05485	0.9
93.07036	1.1
95.04974	0.9
95.08605	2.0
97.02895	1.5
99.08064	0.3
105.07037	2.0
107.01320	0.8
107.08596	1.9
109.02885	5.0
109.06525	1.3
109.10159	4.3
117.07002	0.4
119.08590	3.4
121.02868	15.4
121.06518	0.5
121.10201	1.4
123.08070	2.8
123.11703	0.4
125.02354	2.9
127.03938	1.3
131.04939	0.8
131.08501	0.4
133.10139	1.6
135.08052	0.4
135.11711	4.3
137.09589	1.2
139.03914	1.4
143.03403	5.6
143.08600	0.3
147.08023	0.7
147.11714	1.3
149.09647	1.8
151.11206	0.6
151.14816	0.5
153.01834	100.0
153.02843	4.6
154.02150	0.7
156.09358	0.7
159.04424	1.0
159.08000	1.3
161.09589	0.5
161.13289	1.2
163.11255	0.6
171.11694	0.9
173.09619	0.4
174.10382	3.7
175.14853	1.6
177.05469	0.8
178.05009	0.6
179.05447	0.4
181.01328	1.1
187.03934	0.4
189.12749	6.6
191.14175	0.3
193.15866	4.7
205.04997	1.1
206.04454	0.8
207.04863	0.5
207.13811	5.2
211.16924	0.8
215.03403	0.4
217.04956	0.6
233.04410	2.0
243.02930	0.8
261.04086	1.6
261.06598	0.3
265.07050	1.1
266.94635	0.3
279.05051	3.3
283.08182	1.1
299.05762	0.3
415.94028	0.4
470.70016	0.3
489.26291	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58086	10.5
55.05513	17.6
59.25427	10.7
65.25760	12.1
65.76456	8.9
67.05499	54.0
69.07056	21.8
69.46368	100.0
79.05496	36.0
81.07059	67.8
83.08597	24.2
91.05484	36.1
93.07017	61.6
95.04961	14.3
95.08619	83.8
105.07029	52.8
107.08607	81.7
109.10136	57.3
119.08589	70.3
121.10196	54.0
123.11712	22.5
127.77547	11.8
131.08571	32.5
132.76334	13.1
133.10132	66.0
135.11699	33.9
145.10124	52.4
147.11700	45.1
149.13240	44.0
157.10182	19.0
159.11713	29.0
161.13252	19.2
163.14870	63.1
171.11690	13.4
173.13232	17.6
175.14816	42.5
177.16414	23.5
183.11743	15.0
185.13365	13.1
187.14879	59.9
189.16403	97.8
201.16365	28.2
203.17955	29.3
205.15862	14.5
215.18045	18.3
219.13753	15.8
227.17976	14.4
247.16919	26.1
261.18326	52.9
423.32693	91.0
425.34146	13.9
435.32428	22.9
441.33807	40.9
442.34055	40.5
453.33798	14.9
488.34735	45.5
489.35760	35.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.1
53.40096	4.8
55.05513	12.4
56.96567	6.3
57.03406	5.1
62.67774	5.3
63.46547	5.8
63.63741	4.7
67.05502	8.4
69.03449	29.2
69.07055	7.6
69.35466	5.8
69.35804	48.5
70.06598	6.5
71.04986	19.5
73.94633	5.3
78.58932	5.2
79.05489	21.2
81.03432	30.6
81.03846	5.0
81.07051	24.6
83.04997	6.8
85.02901	21.1
91.05475	36.8
93.07043	33.9
95.04971	12.3
95.08601	18.4
97.02889	21.3
97.06544	6.2
99.04463	33.3
103.05461	6.0
105.07030	100.0
107.04960	11.6
107.08603	26.6
107.64801	5.4
108.09007	5.1
109.02862	15.8
109.06526	12.8
109.10184	13.3
111.08086	5.8
117.07047	9.0
119.04939	9.3
119.08575	33.9
121.02857	20.9
121.06475	15.5
121.10134	15.0
123.08086	15.8
125.06044	5.2
127.03886	30.6
127.11220	25.8
129.06985	6.8
131.08592	19.2
133.02827	6.1
133.06490	49.4
133.10126	66.6
135.08058	12.1
135.11638	6.1
137.05972	17.3
137.09612	9.7
137.14275	5.4
139.07510	5.8
143.08580	15.1
145.10110	16.9
145.12181	7.0
147.04430	18.3
147.07988	10.2
147.11641	9.8
149.09625	8.7
149.13232	7.7
151.07553	14.0
153.01851	7.3
157.10100	15.1
159.11678	10.8
161.05962	8.9
161.09641	95.5
163.11214	28.4
165.09123	11.9
169.10149	6.6
171.11604	12.4
173.09740	5.7
173.13185	6.3
175.96196	6.6
177.09070	7.6
179.10638	31.2
185.13251	8.5
189.09113	21.0
189.12793	11.1
191.14301	5.6
193.08562	6.2
197.11687	9.0
199.14786	6.5
207.10129	19.8
207.13828	6.0
227.14253	13.0
238.83246	5.7
248.17444	8.1
263.09674	5.2
273.14874	13.3
291.15732	6.7
291.19608	5.6
323.14999	18.0
333.13248	8.1
351.14371	17.4
369.15399	15.7
488.18484	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	488.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75149	0.3
53.03953	0.9
55.01874	0.4
65.03930	2.3
67.40311	0.4
69.03437	1.6
69.48294	2.5
70.06583	0.6
71.04993	0.6
76.34026	0.4
81.03421	5.8
85.02902	1.5
95.04979	2.5
97.02915	2.1
99.04464	0.6
109.02885	2.5
111.04453	1.6
121.02872	69.0
124.86706	0.3
127.03905	1.4
132.04465	9.1
139.02866	0.3
139.03899	6.5
145.04979	0.8
153.01862	0.5
160.03899	0.5
163.96004	0.3
174.76410	0.4
178.05000	68.8
179.05293	0.8
206.04492	100.0
207.04794	1.0
209.49846	0.3
255.20900	0.4
265.07071	7.4
283.08054	2.2
488.11984	1.7
491.93600	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.7
57.07064	3.6
61.02922	2.7
61.52063	2.0
67.05221	1.7
67.05508	14.3
69.03419	2.5
69.07069	11.6
69.75885	10.5
69.76299	4.2
73.02904	2.5
79.05495	12.2
81.07051	28.0
83.04990	3.9
83.08617	8.1
85.02912	3.9
89.11369	2.2
91.05497	10.3
93.07046	23.8
95.04959	2.3
95.08613	52.0
97.02901	2.6
97.06522	2.9
97.10167	2.4
105.07027	22.0
107.08594	45.3
109.06514	4.1
109.10143	32.4
111.08061	3.2
117.06995	6.4
119.08582	63.2
121.10141	35.5
123.08035	2.0
123.11719	9.9
131.08557	12.6
133.10130	46.9
133.11075	4.1
135.08084	2.8
135.11682	24.4
137.09613	3.3
137.13251	3.8
143.08589	5.7
145.10127	17.9
147.08087	2.5
147.11693	33.5
149.09607	3.6
149.13271	11.9
151.11166	3.5
151.14816	4.6
157.10129	4.1
159.11681	15.2
161.13251	17.0
163.11214	4.4
163.14812	17.0
171.11649	5.5
173.13281	8.6
175.14816	29.4
177.16379	24.6
184.31117	2.1
185.13260	3.4
187.14815	21.0
189.16379	73.9
190.16794	2.5
191.14195	3.6
191.17984	4.9
199.14819	4.1
201.16429	15.0
203.17953	100.0
204.18260	2.5
205.15878	29.9
207.17395	11.0
213.16356	3.9
215.17952	7.1
217.15912	2.6
217.19522	3.2
219.17574	4.1
223.16798	3.1
227.17935	2.6
233.15401	3.1
241.07402	2.7
245.22488	2.3
247.16856	2.8
249.14807	2.9
249.18491	4.4
259.08478	5.0
263.20184	14.6
273.10068	2.9
311.10910	2.7
311.27264	3.1
391.33679	7.4
405.31473	3.4
409.34662	47.5
423.32623	8.4
427.35773	5.3
441.33670	25.7
451.36026	4.7
469.32947	12.2
487.38571	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54910	2.2
53.03941	5.3
55.01849	2.7
55.05511	14.0
56.96546	3.1
57.07066	5.0
62.79420	2.2
64.09757	2.2
65.03915	3.2
67.05505	29.4
69.03424	14.4
69.07066	22.2
69.56171	14.6
70.06580	6.3
71.04977	6.7
79.01830	3.5
79.05497	25.3
81.03422	8.4
81.07056	60.2
83.04980	13.3
83.08621	12.8
85.02905	12.3
85.06528	3.5
86.09685	7.5
89.06013	3.2
91.05477	36.9
93.07043	45.1
95.04945	10.0
95.08607	79.8
97.02871	4.9
97.06506	6.8
97.10167	5.1
98.97556	2.6
99.04439	5.1
99.08108	3.4
103.05486	4.3
105.07028	72.0
107.04926	4.5
107.08588	68.3
109.02861	5.9
109.06519	11.1
109.10150	43.4
111.08071	5.0
115.05453	2.9
117.07037	14.2
119.04921	3.4
119.08583	100.0
121.06488	6.6
121.10136	54.7
123.08052	8.8
123.11708	16.6
125.09634	5.6
127.03922	24.3
128.06236	3.1
129.07024	6.8
131.04909	3.1
131.07574	3.2
131.08557	56.6
133.02811	10.2
133.06490	3.1
133.10115	67.3
134.10434	3.9
135.04375	3.8
135.08055	12.1
135.11682	21.2
137.05974	6.0
137.09616	22.0
137.13234	4.4
139.11154	4.5
142.07767	5.7
143.08574	15.2
144.09355	4.2
145.04933	2.9
145.10124	89.5
147.04399	7.2
147.08038	5.7
147.11690	37.3
149.02371	3.9
149.09587	10.4
149.13232	22.7
151.07570	3.7
151.11176	3.8
153.01825	57.8
153.02850	2.2
153.09134	3.0
155.08459	4.2
155.10635	3.3
155.14282	9.8
156.09323	4.5
157.10124	30.3
158.10822	5.5
159.11691	50.6
161.09612	7.1
161.13251	25.5
163.11124	4.9
163.14790	21.9
165.09113	56.3
165.12672	4.2
169.10156	4.2
170.10858	5.1
171.02892	4.0
171.11656	16.8
172.12463	2.7
173.09589	4.7
173.13257	47.4
175.03920	5.4
175.11174	6.4
175.14807	40.7
177.12773	3.4
177.16406	24.8
179.10666	3.6
182.10858	3.2
183.11707	3.6
184.12344	2.8
185.13293	22.1
187.11282	3.8
187.14825	87.2
188.15150	3.6
189.12767	6.2
189.16364	40.6
191.14311	28.4
191.18002	15.8
193.10326	2.4
193.15868	4.6
195.11652	2.8
197.13271	7.8
199.14790	28.2
201.12805	4.5
201.16377	68.1
203.14314	22.0
203.17949	47.1
205.12277	5.5
205.15860	41.2
207.17352	5.0
209.15309	17.0
211.14824	4.2
213.16371	9.5
215.14403	5.5
215.17958	11.5
217.12207	2.3
217.15862	12.6
219.13904	3.9
219.17406	6.7
221.15318	13.2
227.14355	3.1
227.17957	6.2
229.15985	6.3
229.19531	4.0
231.17421	7.5
231.20868	3.3
233.15425	4.8
235.13173	3.4
235.16960	3.9
237.16728	3.4
243.17456	3.8
247.16832	8.2
249.18660	2.7
271.17096	2.8
287.05640	3.3
315.07010	6.4
325.06931	3.8
325.10471	3.6
387.30362	5.1
393.31586	5.3
405.31531	19.3
407.33145	6.7
421.30911	3.3
423.32590	14.2
423.75021	2.8
425.33942	7.1
433.31055	6.5
439.32043	4.1
441.33612	8.9
451.32159	18.1
469.33035	4.8
487.20349	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	487.342
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
52.70916	0.8
55.05516	2.9
57.07070	1.4
67.05511	5.2
69.03446	1.2
69.07069	3.9
71.35089	2.0
73.06566	0.8
78.56860	0.9
79.05482	3.9
81.07066	10.2
83.04980	2.0
91.05466	5.6
93.07052	9.8
95.04975	1.8
95.08607	15.9
97.06548	1.1
105.07041	17.2
105.07716	0.7
107.08608	14.0
109.06525	2.0
109.10191	7.3
111.08073	2.3
117.07023	3.1
119.08590	19.6
119.09437	1.1
121.06529	2.5
121.10160	12.4
123.08068	1.1
123.11728	2.6
130.65611	0.9
131.08583	8.7
133.10144	13.7
135.08080	1.5
135.11716	6.3
137.09659	2.0
139.11221	1.0
142.07887	1.1
142.54785	0.9
143.08586	3.5
145.10143	16.4
147.08015	1.1
147.11693	9.1
148.07529	0.9
149.09642	1.3
149.13251	3.1
151.11217	1.0
153.09175	1.0
155.08488	1.1
157.10136	5.6
158.11003	1.4
159.08110	1.5
159.11693	9.8
161.09641	3.7
161.13301	6.0
163.11240	2.4
163.14859	3.8
169.10170	1.5
171.11697	3.7
173.09573	1.0
173.13263	9.8
175.11198	3.3
175.14824	8.7
177.12775	2.4
177.16397	3.0
183.11774	1.5
185.13283	2.6
187.11157	1.0
187.14807	10.4
189.12711	1.5
189.16411	10.9
191.14305	7.5
191.17969	4.0
197.13232	1.9
199.14793	6.7
201.16403	8.9
203.14339	3.8
203.17912	4.8
205.15831	5.2
211.14842	2.1
213.16382	1.8
215.14354	2.0
215.18143	1.8
217.15869	5.6
219.17560	1.2
221.15399	1.0
221.75484	0.9
233.15497	1.5
235.16968	3.8
242.80408	1.1
247.16899	1.4
251.16452	4.4
253.19582	1.4
257.18936	1.5
262.34552	0.9
271.20477	1.9
273.18640	0.9
377.32410	1.3
393.32080	1.0
405.31543	4.9
412.73868	1.0
423.32544	5.0
441.33752	5.6
451.32535	2.2
487.34241	100.0
488.34671	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	487.3421
Annotation	Geumonoid
Peak:m/z	Relative Intensity
55.05504	3.7
57.03444	0.9
60.55298	0.7
67.05511	4.6
69.07072	4.0
69.48792	5.4
71.04996	0.8
77.19040	0.7
79.05502	4.1
81.03407	1.0
81.07056	10.7
83.04958	1.8
83.08617	2.5
85.02939	0.9
91.05478	5.4
93.07042	10.9
95.05005	1.0
95.08606	14.6
97.06534	1.0
105.07028	17.9
107.08590	15.4
109.06535	1.8
109.10138	7.5
109.10680	0.7
111.08074	1.9
117.07035	2.3
119.08588	20.2
119.77802	0.7
120.08932	0.8
121.06519	1.4
121.10148	11.8
123.08121	1.4
123.11741	4.5
127.03942	0.9
129.07025	1.7
131.08578	8.7
133.10130	14.9
135.08047	2.3
135.11694	6.3
137.09616	1.1
137.13220	0.9
142.07788	1.2
143.08571	6.0
145.10126	12.2
147.08086	1.8
147.11705	8.8
149.09679	2.4
149.13254	4.7
151.11188	1.2
155.08551	1.4
156.09335	1.6
157.10121	8.3
158.10898	1.1
159.11693	9.5
161.09642	3.9
161.13284	6.9
163.07576	1.1
163.11205	1.0
163.14806	5.9
165.09093	1.0
169.10197	2.8
170.10950	2.1
171.11662	6.0
173.09653	1.1
173.13229	10.4
173.14383	0.8
175.11230	3.0
175.14815	9.1
177.12709	1.3
177.16394	8.4
181.10188	1.0
182.11055	0.9
183.11687	3.9
185.13251	6.6
187.11238	1.6
187.14832	17.0
189.12810	1.6
189.16371	12.1
191.14378	2.8
191.17967	2.0
193.15953	2.2
195.11818	1.4
197.13203	3.6
199.14854	4.1
201.12793	3.6
201.16478	5.4
203.14355	3.4
203.17966	6.0
203.81776	0.9
205.15930	2.5
207.17380	3.7
211.14880	2.6
213.16458	3.4
215.14450	3.3
215.17871	1.7
217.15990	1.9
219.13768	1.6
219.17552	0.9
223.16972	1.0
225.16554	1.0
227.17931	1.7
229.16022	1.2
231.17451	4.0
235.16974	2.5
247.17035	1.6
249.18462	4.3
251.16530	3.2
253.19588	0.8
265.14337	1.2
267.19540	5.3
271.20575	1.0
321.02588	0.8
322.01337	0.8
393.31906	1.2
405.31540	5.9
421.30829	2.1
423.32632	9.5
433.31168	2.4
441.33789	10.6
451.32144	8.2
469.33313	5.1
487.34250	100.0
488.34549	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	487.3419
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
50.57974	5.3
53.03942	7.1
55.05503	23.8
57.03436	6.6
57.07071	6.5
66.82962	6.0
67.05496	34.8
69.03445	15.1
69.07052	31.2
70.04082	44.7
71.04992	10.2
71.61389	6.5
73.02962	5.5
79.05492	33.6
81.03397	8.5
81.07056	58.7
83.04976	10.1
83.08610	11.1
85.02905	42.7
86.03242	6.6
91.05462	34.6
93.07047	50.9
95.08606	79.6
95.21078	5.9
97.02905	14.2
97.10183	9.0
105.07021	64.7
107.08586	82.6
109.02890	8.5
109.06483	11.7
109.10159	39.7
117.07008	17.2
119.07777	7.7
119.08583	100.0
121.06511	8.3
121.10148	48.6
123.08065	9.9
123.11694	17.3
125.09660	8.3
127.03882	18.3
129.07007	12.2
131.08542	41.4
133.10127	84.1
133.89075	5.4
135.08044	14.4
135.11693	26.8
137.05962	10.7
141.06984	13.3
142.07732	16.6
143.08557	20.5
145.04933	16.8
145.10132	75.2
147.04367	9.7
147.11693	52.5
149.09610	9.8
149.13289	19.9
153.09122	12.2
155.08572	8.6
156.09337	14.1
157.10136	55.7
158.07224	6.0
159.08061	6.2
159.11687	49.1
161.09669	17.3
161.13249	36.4
163.06148	7.7
163.11163	20.2
163.14825	17.8
165.09044	12.7
165.16235	6.5
169.10068	13.6
170.10953	13.3
171.11708	43.8
173.09607	8.5
173.13251	53.6
175.11201	14.6
175.14803	36.6
177.12643	6.0
177.16380	21.4
181.12216	14.7
183.11716	13.8
185.13257	41.6
187.14839	63.7
189.12718	23.2
189.16360	58.1
191.14278	16.5
191.17934	11.3
197.13271	26.0
199.14853	30.9
201.12772	11.7
201.16403	33.7
203.14339	27.4
203.17949	70.0
205.15871	15.9
205.19527	20.0
209.15314	7.0
211.14807	9.8
213.16435	17.7
215.14313	26.0
215.18034	7.0
217.15930	14.8
221.15370	14.1
225.16599	6.4
235.16927	24.6
239.17990	10.5
247.16884	9.9
249.18546	16.2
324.14746	7.4
325.15106	18.4
326.14334	8.7
389.20044	8.7
393.31699	9.8
405.31467	25.0
423.32330	20.5
433.31232	8.7
439.32272	41.2
441.33554	12.5
443.99548	6.8
451.32404	26.8
469.33304	12.1
487.34015	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3422
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
53.03946	2.8
55.05512	13.5
57.07074	3.4
59.05969	2.3
65.03912	3.0
67.05512	14.5
69.03423	2.8
69.07076	17.2
69.53218	21.2
71.05023	3.3
73.67213	2.6
79.05502	20.5
81.07064	38.2
83.04984	5.1
83.08609	8.7
85.06513	3.0
91.05479	25.4
93.07048	42.9
95.04967	5.5
95.08610	62.6
95.09219	3.3
97.06519	15.0
98.20753	5.0
99.08085	11.0
105.06372	4.5
105.07043	62.4
107.04987	3.1
107.08601	64.9
109.06517	4.8
109.10152	27.8
111.08137	4.6
115.05449	2.9
117.07041	14.7
119.04922	4.3
119.06127	2.6
119.08589	100.0
121.06499	5.4
121.10162	45.1
123.08065	7.3
123.11716	13.8
125.09605	5.9
129.06953	6.4
129.12816	2.8
131.08575	48.9
133.10144	63.2
135.08044	11.6
135.11693	30.9
137.09622	5.6
142.07771	6.3
143.08588	21.2
145.10133	67.3
147.04431	10.8
147.11697	49.4
149.09605	6.2
149.13243	13.0
155.08574	6.4
156.09395	4.8
157.10141	26.3
158.10962	3.0
159.11713	53.6
161.09634	8.9
161.13271	28.7
163.07574	4.9
163.11169	5.5
163.14830	11.6
169.10097	8.2
171.11682	12.1
173.13264	47.3
175.14853	49.1
177.12785	6.7
177.16418	24.6
179.03426	3.2
183.11713	8.5
184.12514	3.2
185.13261	29.8
187.14835	83.0
189.12726	3.0
189.16359	23.1
191.14334	33.3
191.17952	5.9
193.15947	6.2
197.13240	9.4
199.14815	31.7
201.16394	66.3
203.14291	30.8
203.17970	12.1
205.15877	48.5
211.14815	10.1
213.16449	15.5
215.14281	3.4
215.17963	6.3
217.15901	11.9
219.17432	12.6
221.15369	14.6
223.14877	4.8
225.16438	3.7
227.17958	6.7
229.15953	4.5
231.17432	5.7
233.15425	3.1
235.16803	3.9
239.18031	4.0
241.19441	4.6
245.15358	4.8
247.16986	6.9
249.14806	9.3
253.19629	4.0
255.21066	3.2
259.16586	3.2
347.11890	3.0
375.30261	3.4
377.32120	5.3
387.30472	4.9
393.31323	8.1
405.31512	41.5
411.32742	3.4
423.32593	32.4
433.30960	11.1
441.33551	10.0
451.32071	21.9
469.33304	21.7
487.21585	4.2
487.34213	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	487.342
Annotation	Iridotectoral A
Peak:m/z	Relative Intensity
55.05495	14.0
57.07070	6.3
58.31910	3.4
67.05486	12.2
69.07063	12.7
70.14795	10.7
79.05477	14.2
81.07052	29.6
83.04969	9.1
83.08604	10.7
91.05475	17.3
93.07057	35.2
95.04932	4.4
95.08607	53.3
97.06503	8.5
97.10187	3.8
98.97561	3.9
105.07041	53.8
107.04908	4.3
107.08600	60.1
109.06538	6.9
109.10176	29.3
111.08057	9.3
117.07013	16.6
119.08585	100.0
119.09441	5.6
121.06500	12.8
121.10149	37.1
121.25346	4.1
123.08004	5.2
123.11708	6.3
125.09660	4.1
129.06992	7.5
130.07802	3.9
131.08566	39.9
133.10136	81.6
135.08066	11.8
135.11697	14.8
142.07756	7.5
143.08551	14.6
145.09013	6.2
145.10130	79.0
147.11665	32.7
149.09602	5.8
149.13272	10.9
152.23973	2.9
155.08563	4.7
156.09343	4.9
157.10172	23.1
158.10957	6.8
159.11681	52.4
161.09613	10.5
161.13266	20.7
163.11176	4.9
163.14827	25.3
169.10159	6.1
170.10959	6.3
171.11684	19.5
172.12616	3.7
173.13278	46.8
175.11194	10.7
175.14854	30.1
177.12688	6.8
177.16393	13.2
183.11618	4.6
184.12451	4.7
185.13319	11.2
187.14839	66.5
189.12735	7.7
189.16389	51.6
191.14316	90.8
191.17953	17.6
197.13194	5.7
198.44008	3.2
199.14854	29.4
201.16357	37.7
201.29910	3.1
203.14383	24.4
203.17883	19.6
205.15895	33.5
205.19498	7.3
207.17482	4.4
211.14928	5.0
213.16370	10.9
215.18016	4.7
217.15923	28.2
221.15332	7.8
229.15909	5.1
231.17479	5.0
235.16920	44.3
239.18118	3.5
241.19604	3.7
247.16937	35.1
249.14853	4.5
249.18475	5.1
285.09988	4.4
309.22220	4.4
378.80441	3.6
387.30414	7.5
393.31622	5.3
405.31442	25.3
423.32742	17.1
433.31161	5.2
439.31946	4.2
441.33771	8.7
451.32236	21.4
469.33118	6.1
487.34048	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	487.342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.4
55.66537	4.0
67.05518	22.1
68.02727	3.5
69.03421	4.7
69.07059	20.4
70.75422	13.0
71.04988	5.1
79.05487	23.0
80.68150	4.5
81.07055	48.8
83.04980	8.7
83.08626	8.3
90.57040	4.3
91.05468	27.8
92.02754	4.7
93.07046	44.3
95.04956	9.0
95.08033	5.6
95.08611	69.8
97.06557	5.2
105.07040	65.7
106.15323	4.0
107.08599	48.4
108.03609	4.8
109.02895	6.7
109.06512	8.7
109.10159	33.3
111.08116	5.9
117.07005	13.2
119.08586	86.9
121.06514	5.4
121.10143	45.3
123.08089	6.3
123.11706	14.6
125.09641	7.4
127.03931	6.2
129.07048	5.8
131.08578	53.6
133.02893	8.2
133.10135	58.3
135.08066	4.4
135.11720	20.3
136.79016	4.3
137.09647	6.0
137.13249	7.0
138.15948	3.9
143.08546	13.7
145.10130	88.0
147.04391	5.1
147.11681	33.1
148.04761	4.9
149.09613	4.8
149.13261	22.6
153.01810	21.3
153.09142	4.6
155.08597	4.0
157.10107	27.2
158.10907	5.9
159.11705	50.3
161.09685	8.1
161.13301	26.0
163.14842	26.7
165.09099	24.7
169.10068	7.6
171.11699	16.6
173.13307	36.0
175.03735	3.9
175.11284	4.6
175.14835	37.1
177.16374	17.1
181.12349	4.7
183.11633	4.7
185.13217	22.8
187.14847	100.0
189.12749	4.6
189.16371	36.7
189.25269	3.8
191.14369	25.5
191.17989	22.6
197.13284	7.3
197.71025	4.0
199.14847	26.2
201.16373	77.6
203.14311	19.5
203.17976	58.0
205.15916	30.7
209.15359	13.2
213.16350	9.9
215.14337	5.6
215.17993	12.0
217.15916	15.5
219.17505	7.8
221.15363	10.2
227.17912	6.0
229.15880	6.5
235.17026	5.3
247.16951	8.4
285.78751	4.5
285.82840	4.0
316.02390	4.2
387.30234	4.8
405.31567	17.6
407.33051	14.8
423.32620	14.3
425.34161	7.0
433.30984	8.7
451.31943	14.3
461.21475	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	487.3421
Annotation	Acerinol
Peak:m/z	Relative Intensity
55.05512	3.0
57.07065	0.8
59.04988	0.9
59.31031	0.6
61.41471	0.5
67.05500	3.0
69.07057	2.6
70.84666	0.8
70.85018	1.4
70.99557	0.7
79.05483	2.2
81.07064	6.6
83.04984	2.0
83.08622	2.0
89.50335	0.6
91.05482	2.2
93.07056	5.4
95.04986	1.0
95.08609	9.3
105.07032	9.6
107.08595	10.6
109.06540	1.1
109.10172	7.0
111.08095	0.9
117.07013	1.9
119.07767	1.1
119.08585	14.8
121.06505	1.4
121.10151	10.5
123.08145	1.3
123.11705	2.3
129.06976	0.8
131.08553	3.5
133.10135	11.7
135.08084	1.4
135.11684	6.1
137.09587	1.5
143.08546	3.1
145.10129	7.2
147.08058	1.4
147.11659	5.5
149.09627	1.7
149.13255	3.1
151.07625	0.7
151.11139	0.9
153.09123	1.4
155.08585	1.6
156.09477	0.9
157.10133	3.8
158.10835	0.7
159.08017	1.0
159.11708	5.3
161.09639	3.7
161.13275	3.9
163.11200	0.7
163.14844	2.2
165.61154	0.6
169.10143	2.0
171.11722	3.2
173.09622	1.6
173.13266	5.7
175.11185	1.4
175.14835	10.0
177.12756	0.9
177.16414	1.5
183.11725	2.9
185.13266	2.1
187.11197	1.1
187.14833	8.1
189.12801	2.4
189.16377	10.5
191.14423	1.1
191.17996	1.6
193.15974	1.6
197.13306	1.4
199.14856	4.3
201.12830	0.9
201.16452	1.9
203.14336	1.5
205.15955	1.6
211.14845	1.5
213.16437	2.1
215.14339	4.3
215.18028	1.1
217.15912	3.8
223.17075	0.7
225.16472	0.8
227.18005	1.3
229.19504	0.8
233.15414	2.4
235.16951	1.1
239.17871	1.0
241.19525	1.3
243.17542	0.8
251.16158	2.8
253.19594	1.9
255.21313	0.9
265.19421	0.8
271.20642	1.8
273.18369	0.8
281.19037	0.6
317.21350	1.3
375.65256	0.7
387.30496	1.7
405.31516	5.2
423.32590	2.4
433.31107	4.7
441.33667	4.3
451.32098	17.1
469.33197	9.3
487.34225	100.0
488.34494	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	487.3419
Annotation	Actinidic Acid
Peak:m/z	Relative Intensity
55.05500	5.3
67.05502	5.6
69.07047	7.6
69.48564	19.2
79.05487	4.1
81.07059	16.8
82.18521	2.2
83.05006	4.5
90.01233	2.6
91.05460	5.8
93.07069	12.9
95.08611	26.4
104.07716	2.5
105.07032	23.1
107.08598	22.5
109.10171	13.5
111.08070	2.8
119.08589	29.7
121.05073	2.3
121.10165	17.9
123.08080	3.5
123.11687	5.9
129.06921	3.0
131.08531	12.1
133.10127	21.3
135.08047	2.9
135.11665	11.1
141.07069	2.3
142.07755	3.1
143.08574	8.5
144.09309	2.8
145.10136	22.9
147.11703	15.1
149.09642	3.0
149.13266	7.2
157.10133	9.0
159.11678	13.4
161.09621	3.6
161.13260	9.9
163.14874	9.5
169.10187	2.9
171.11726	9.0
173.13252	15.7
175.14828	20.5
177.16397	24.3
183.11681	7.9
185.13272	9.4
187.14836	23.3
189.16414	21.8
191.14304	4.8
192.87404	2.6
193.15962	3.6
197.13322	7.0
199.14865	10.2
201.16428	11.4
203.14343	7.4
203.18004	9.7
205.15866	5.9
211.14810	3.3
213.16415	8.4
215.14375	6.0
217.15938	11.2
227.17911	3.4
229.15948	5.6
231.17413	8.3
233.15305	3.9
235.16925	6.9
247.17010	2.4
249.18501	9.2
251.16493	8.1
253.19389	3.8
267.19577	6.5
271.20471	4.4
382.91547	2.8
405.31616	9.5
423.32669	17.4
433.30957	4.0
441.33557	20.7
451.32150	12.3
469.33054	7.0
487.34201	100.0
488.34653	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	487.3419
Annotation	24-Epi-acerinol
Peak:m/z	Relative Intensity
50.15875	2.1
55.05506	5.3
59.28332	2.2
60.54382	2.6
67.05505	8.9
69.07082	5.6
69.37788	2.5
69.59693	14.8
69.60104	4.9
79.05495	8.2
81.07058	17.3
83.04979	4.5
91.05486	7.1
93.07045	16.7
95.08612	27.6
98.21494	2.9
105.07043	25.1
107.08617	20.2
109.10170	9.7
119.08582	38.0
121.06523	4.7
121.10158	15.5
123.11736	4.2
131.08580	14.4
133.10158	21.7
135.08063	4.4
135.11751	7.7
143.08553	4.7
145.10117	23.7
147.11650	14.7
149.13297	3.1
152.59991	2.2
153.09137	4.2
155.08820	2.3
157.10150	7.6
159.11661	14.0
161.09648	8.0
161.13326	6.1
163.14803	13.0
169.10170	2.7
170.38223	2.4
171.11732	5.9
173.12001	3.8
173.13225	16.6
175.14799	11.4
177.12752	2.5
177.16428	4.7
183.11658	2.7
185.13298	7.0
187.14856	18.5
189.12791	3.4
189.16341	20.4
191.14325	13.8
191.18040	5.2
197.13249	4.7
199.14937	10.0
201.16383	13.8
203.14282	5.8
203.17867	5.6
205.15903	5.4
209.15416	10.5
215.14339	4.5
217.15924	5.8
229.15843	3.9
231.17609	2.9
235.16989	8.7
243.21194	3.0
247.16966	8.1
251.16414	3.1
317.21265	2.8
323.43460	2.7
387.30496	3.8
405.31625	7.3
423.32510	4.0
433.31100	4.4
441.33832	11.0
451.32251	9.8
487.34286	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2178
Annotation	DHP-mOx-NS-DHB
Peak:m/z	Relative Intensity
53.03931	1.5
53.17746	0.5
55.01887	0.7
55.05505	3.1
56.96555	1.0
57.03416	0.8
57.07055	1.4
58.95970	0.5
61.43228	0.5
61.43551	0.5
65.03922	0.6
67.05500	4.8
68.99798	0.6
69.03429	6.0
69.06714	1.1
69.07068	15.5
70.06593	1.9
71.04992	1.8
71.08635	0.6
71.61291	0.6
71.61651	0.8
71.65074	0.6
71.93828	0.5
73.02922	0.7
77.03929	0.6
79.05486	3.3
81.03420	5.7
81.07059	8.2
83.02521	0.6
83.04980	2.0
83.08598	1.7
85.02908	4.2
85.06528	1.6
91.05487	7.0
93.07053	6.1
95.04965	2.4
95.08614	9.0
97.02876	3.9
97.06525	2.8
97.10148	0.6
98.97592	1.2
99.04445	1.3
99.08079	1.1
103.05472	1.3
105.03378	0.8
105.07038	7.1
107.04956	0.9
107.08600	7.5
109.02877	6.1
109.06500	1.6
109.10160	6.6
110.03212	0.6
111.04469	0.7
111.08073	1.4
111.11730	5.8
113.06006	1.2
116.98602	0.5
117.03406	0.6
117.07021	1.7
119.04942	9.4
119.08584	7.5
120.04527	0.7
120.05298	2.5
121.06509	1.2
121.10137	9.8
123.04390	0.6
123.08074	2.4
123.11696	2.3
125.05999	0.7
125.09614	1.6
126.53129	0.6
127.03916	100.0
127.07547	1.6
128.04257	0.6
129.07053	0.9
131.04881	1.6
131.08563	4.1
132.04373	0.9
133.02864	9.0
133.06517	0.8
133.10130	6.0
135.04381	1.3
135.08035	1.5
135.11687	4.7
137.05945	4.6
137.09627	4.0
137.13356	0.6
139.11180	12.6
141.09071	1.4
143.08568	1.5
145.04942	1.0
145.10117	5.6
147.04404	8.6
147.11697	3.2
148.04710	1.4
149.05984	3.0
149.09584	1.4
149.13268	1.9
150.06772	1.4
151.07533	0.8
151.11183	0.7
153.01828	3.6
153.12746	2.1
155.14333	1.3
157.10149	2.1
159.11674	4.5
161.05931	0.7
161.09663	1.3
161.13274	2.9
163.07442	0.7
163.11206	3.1
163.14796	2.3
165.05476	1.2
165.09109	14.2
170.11024	0.6
171.11711	2.0
173.13257	3.3
175.03926	1.9
175.14822	1.9
177.05507	2.3
177.09142	1.0
177.12726	0.9
177.16417	1.0
178.04994	7.6
179.05334	3.7
179.06931	0.6
179.10692	0.8
181.12228	12.0
183.11693	0.8
185.13248	1.3
187.11229	0.8
187.14764	4.6
189.16389	2.1
191.14314	2.0
197.13356	0.9
199.13300	4.2
199.14874	1.9
201.05397	1.1
201.16426	3.0
201.18066	0.7
203.10522	0.7
203.14366	1.4
203.17972	1.8
205.03180	0.6
205.12212	1.4
205.15932	2.6
206.04497	8.8
207.04799	6.5
209.15363	1.2
211.14964	0.7
215.14267	0.6
215.17952	0.7
217.15987	0.8
221.15385	1.0
226.98744	0.6
229.19835	0.7
241.14333	1.7
243.17212	0.8
263.09079	0.7
264.09653	0.8
289.09195	1.3
289.14410	1.1
293.08304	0.7
307.15341	0.9
323.22284	0.8
325.07407	0.9
325.10623	3.5
325.16422	3.6
357.13000	0.7
393.31638	0.7
405.31708	1.1
423.32544	1.6
433.31369	1.0
451.32367	1.7
466.57355	0.6
469.15009	2.4
469.21414	0.5
469.33499	1.0
487.15283	1.0
487.24905	6.3
490.98242	0.6
510.84930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	486.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38121	0.6
53.03940	1.3
53.76911	0.6
55.80854	0.6
57.03429	1.8
61.02929	1.8
61.84859	0.6
69.03445	3.5
71.04995	27.0
71.37717	1.3
73.02928	0.7
81.03414	1.8
81.07054	0.5
85.02415	1.4
85.02913	24.1
91.03922	1.0
93.77508	0.6
97.02908	6.2
98.97603	1.5
99.04422	0.8
109.02874	2.8
109.10175	0.9
112.07597	1.1
127.03930	5.3
127.11201	100.0
128.11554	0.7
145.04964	6.2
145.12244	51.3
153.01884	0.6
163.06102	3.3
172.13336	1.0
486.18259	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	486.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01875	2.4
55.05517	0.7
57.03437	3.9
61.02927	8.5
69.03429	14.1
69.07063	0.8
70.04082	3.8
70.85825	1.5
71.04991	1.9
73.02913	3.1
79.05479	0.6
81.03424	5.8
81.07061	0.9
83.01335	0.7
83.05004	0.6
85.02909	100.0
86.03292	0.7
86.06064	1.0
87.04469	1.9
91.03959	5.0
93.07063	0.5
95.05001	0.7
95.08585	0.7
97.02898	22.4
99.04453	3.7
101.02380	0.5
101.74007	0.5
103.03925	1.1
105.07028	0.8
106.21061	0.5
107.08572	1.1
107.66582	0.5
109.02891	7.9
109.10130	0.6
111.04503	0.8
115.03961	0.8
116.10762	1.0
119.08626	1.1
127.03925	24.9
131.08586	0.6
133.10147	0.6
137.05963	0.6
140.03262	0.6
145.04965	45.0
163.06039	16.2
196.97478	0.5
228.22302	0.6
324.14880	2.7
388.19656	2.4
486.27240	0.7
486.33649	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
55.01810	0.7
55.05506	2.2
59.00743	0.7
63.26157	0.7
65.03931	1.5
67.05501	4.6
69.03423	5.0
69.07060	2.0
70.06567	1.5
71.61582	1.3
77.83671	0.8
79.01862	2.3
79.05493	7.4
81.03414	2.4
81.07064	7.8
83.04963	2.0
85.02887	1.2
86.09695	0.9
91.05480	8.4
93.07053	4.6
95.04961	2.2
95.08610	3.7
97.02903	1.1
98.97611	0.8
105.07032	10.6
107.04973	4.0
107.08600	20.4
109.02914	3.5
109.06516	3.3
109.10173	7.6
111.08056	1.0
115.05428	2.2
117.07036	2.7
119.08601	4.5
121.06506	2.9
121.10136	12.2
122.07304	7.1
123.08079	2.6
124.11203	1.2
125.02316	1.8
127.03912	7.3
131.08575	4.4
133.10130	100.0
134.10390	1.2
135.08041	11.8
135.11671	1.7
137.05969	1.1
137.09619	61.9
143.03421	2.6
143.08476	0.9
145.10115	2.8
147.04416	1.0
147.11697	2.2
149.09615	2.0
149.13248	9.6
153.01831	42.1
158.10928	1.5
163.14847	2.8
173.13278	7.0
187.14957	0.9
189.12804	1.0
191.14311	47.4
215.59325	0.9
261.04230	0.9
279.05087	2.6
307.18945	0.8
335.18488	0.8
361.02484	0.9
487.19971	1.5
487.25906	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	16.1
57.03424	3.6
57.07078	5.6
67.05497	18.9
69.07056	13.6
69.51998	3.5
71.00553	7.0
71.00890	3.9
71.08632	4.6
79.05511	17.7
81.07057	39.0
83.08616	9.4
88.05871	4.0
91.03957	3.5
91.05484	23.5
93.07050	39.8
95.08604	70.7
97.06525	10.4
99.08073	4.4
105.07039	48.4
106.31020	3.2
107.08591	66.0
109.10164	31.3
111.08099	3.7
117.07025	9.6
119.08585	100.0
121.10155	55.0
123.08070	5.2
123.11717	11.8
125.09621	12.8
129.07021	5.1
131.08571	27.8
133.10124	44.7
135.08052	4.4
135.11655	30.2
137.09656	4.3
143.08527	8.1
145.10152	53.6
147.08041	3.8
147.11711	29.1
149.09616	11.8
149.13222	13.1
157.10139	8.0
159.11702	42.3
159.88647	3.8
161.13248	33.7
162.43062	4.0
163.11142	4.4
163.14827	12.0
171.11658	8.5
173.13248	26.6
175.14859	31.3
177.16411	11.9
185.13293	7.1
187.14836	46.2
189.16359	51.3
191.10666	12.5
191.17917	7.1
193.16006	5.4
199.14824	5.6
201.16400	65.4
203.17996	13.7
205.15836	7.8
211.14754	4.7
213.16422	3.9
215.17918	28.4
217.15817	7.0
219.17480	30.0
225.16386	4.4
227.17984	6.6
229.15883	13.0
229.19524	10.9
233.18825	5.6
241.19652	4.3
246.61441	3.3
246.87938	4.5
247.16862	4.6
249.18541	13.3
257.24316	3.4
261.18478	33.6
267.21185	4.0
275.19919	4.6
281.22531	4.8
313.27313	10.7
314.60886	4.2
341.24615	4.1
342.30746	3.6
346.12711	6.3
389.32010	11.1
407.33115	43.9
425.34354	25.3
449.34583	7.4
467.35858	6.1
485.28912	16.1
485.36487	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	486.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32956	0.3
53.03942	0.9
57.03426	0.5
57.12423	0.3
65.03950	1.5
67.05518	0.7
69.03423	2.1
69.07062	0.5
69.63564	2.2
71.04984	0.5
79.05490	0.6
81.03420	4.7
81.07071	0.8
85.02902	1.5
86.09721	0.7
91.05482	6.3
93.07029	2.6
95.04978	0.7
95.08620	0.3
97.02893	3.6
97.06497	0.3
98.97614	0.5
99.04466	0.8
103.05492	0.4
105.07031	0.6
106.07388	0.4
107.08591	0.7
109.02869	2.7
109.06498	2.5
109.10167	0.6
114.05540	0.9
119.04945	51.4
119.05959	1.7
120.05292	0.6
127.03914	1.8
131.04926	0.9
131.08612	0.4
132.04456	7.4
133.10127	0.5
133.83443	0.3
136.07536	0.3
137.05981	4.5
145.04942	0.8
147.04427	2.2
147.11653	0.3
153.01851	0.6
160.03917	0.7
163.07520	0.4
163.11252	0.3
178.04996	66.4
179.05315	0.9
183.08034	1.2
206.04485	100.0
207.04828	1.0
219.01758	0.5
263.09137	6.8
281.10126	1.8
307.39700	0.3
401.21661	0.3
428.09943	0.4
486.13699	1.1
486.20367	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3603
Annotation	Fomlactone B
Peak:m/z	Relative Intensity
57.07082	1.2
69.25495	6.2
87.04456	1.3
88.07626	1.7
92.68415	0.5
98.20778	1.4
102.09177	0.6
119.08639	0.6
121.10105	0.8
127.84860	0.6
145.10114	0.6
191.83879	0.7
201.20419	0.6
217.59702	0.6
228.23177	0.9
229.23685	1.3
270.50549	0.5
273.74420	0.5
275.46780	0.7
283.26151	1.2
284.26785	1.4
312.29904	1.0
374.80402	0.7
485.36081	100.0
485.47620	6.1
486.36557	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	485.363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56961	7.1
55.05501	12.3
64.56491	7.6
67.05492	31.8
67.05830	7.1
67.80177	7.7
69.07057	17.4
70.47870	8.3
79.05486	29.2
81.03407	8.7
81.07065	77.1
83.08581	15.5
85.02913	9.1
89.22147	6.6
91.05473	31.8
93.07048	55.5
95.04971	11.9
95.08620	100.0
97.10155	7.5
98.20690	14.7
105.07039	71.9
107.08607	69.8
109.06541	9.5
109.10144	34.8
111.08060	11.0
119.08588	94.8
121.06523	10.1
121.10143	50.3
121.82252	7.7
123.11700	18.9
131.08562	33.6
133.10146	82.8
135.11697	24.5
143.08557	10.6
145.10132	61.8
147.11679	46.6
147.45512	7.8
149.09583	9.0
149.13228	21.9
157.10136	17.3
159.11688	35.6
161.13248	27.7
163.14847	21.2
171.11719	17.1
173.13231	28.9
175.14783	46.3
177.16403	17.0
183.11580	9.3
185.13275	17.1
187.14803	36.2
189.16420	58.2
191.10727	9.4
199.14824	18.8
201.16382	54.8
203.14305	8.8
203.17920	29.5
205.15889	34.4
213.16248	11.5
215.14175	10.7
215.17905	25.0
217.15875	7.8
219.17567	15.2
249.14963	17.2
261.18555	19.5
267.09027	12.0
281.22449	8.6
299.11627	18.7
311.65167	7.9
331.12241	9.1
389.32248	10.0
407.33075	26.5
417.66299	8.6
421.30927	14.7
425.34256	30.2
439.32037	18.7
467.31305	18.7
485.32507	61.8
485.35770	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	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
53.88890	0.7
55.05508	1.4
66.58521	0.8
67.05502	2.2
69.07065	2.2
79.05482	1.7
79.06911	0.6
81.07070	4.5
83.08599	0.8
91.05503	1.6
93.07052	5.3
95.04983	0.8
95.08607	7.7
105.07031	8.4
107.08613	6.6
109.06527	0.8
109.10154	3.0
117.07027	1.3
119.08594	11.2
121.06497	0.8
121.10147	5.5
123.08036	0.7
123.11691	1.4
125.09724	0.8
129.06979	1.0
131.08566	4.1
133.10136	7.4
135.08043	2.0
135.11705	3.1
137.09647	0.9
143.08565	2.7
145.10158	5.7
147.08128	1.2
147.11720	3.6
149.06056	0.7
149.09607	1.2
149.13293	1.5
155.08553	1.2
157.10109	4.3
158.10922	1.6
159.08130	1.3
159.11694	3.6
161.09648	2.3
161.13280	2.5
163.07579	0.9
163.14816	1.9
171.08095	0.8
171.11739	3.1
173.09657	1.7
173.13287	9.9
175.11250	1.9
175.14847	6.2
177.16472	0.7
179.08569	0.7
183.11711	1.9
185.09715	0.9
185.13327	2.7
187.11235	1.3
187.14815	5.0
189.16380	2.8
197.13290	1.8
199.14871	1.7
201.12775	1.2
201.16440	1.6
203.14366	1.4
205.15881	0.9
209.13147	1.5
209.47276	0.7
211.14825	1.6
213.12863	3.1
213.16466	1.3
215.14362	2.5
217.15845	1.6
219.13815	0.8
223.14894	1.1
225.16426	1.2
227.14333	2.1
227.17952	1.5
229.15858	1.5
229.19402	0.9
231.13989	1.1
233.15407	2.1
239.14417	0.8
239.18063	0.7
249.14867	1.1
251.17996	1.2
265.19412	1.2
288.18576	0.8
307.20496	0.9
375.30405	0.9
385.28812	1.4
393.32068	1.0
403.30017	3.0
406.91586	0.7
421.31049	6.4
439.32507	3.4
449.30682	3.5
454.90866	0.7
467.31595	34.4
468.32059	1.2
485.32651	100.0
486.33093	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	485.3264
Annotation	Lantanoic acid
Peak:m/z	Relative Intensity
55.05510	1.5
57.07061	0.6
58.96296	0.4
66.50396	0.5
66.79863	0.5
67.05493	1.4
69.07059	1.4
69.69825	1.1
69.70224	3.1
79.05484	2.3
81.07059	4.7
83.08624	1.2
87.04392	0.6
91.05476	3.0
93.07047	4.2
95.04958	0.7
95.08601	7.8
105.07042	8.1
107.08595	5.5
109.06509	1.5
109.10146	3.0
111.08079	0.8
117.07030	1.4
119.08585	10.4
121.06541	0.7
121.10162	4.2
123.11681	1.3
126.33254	0.5
129.07028	1.3
131.08560	4.5
133.10121	6.2
135.08047	1.0
135.11725	2.8
137.09607	0.7
143.08551	2.3
145.10117	6.0
147.08083	1.0
147.11707	3.7
149.09604	1.4
149.13268	1.4
155.08597	1.0
157.10135	3.8
158.10922	1.1
159.08051	0.7
159.11688	3.3
161.09641	1.8
161.13254	1.9
163.14850	1.2
169.10165	1.2
171.08119	1.1
171.11674	1.6
173.09639	1.3
173.13266	9.8
175.11095	0.8
175.14801	4.7
177.12672	0.8
177.16345	1.0
183.11673	0.7
184.12384	0.6
185.09659	0.7
185.13239	2.8
187.11180	1.1
187.14803	3.9
189.12807	1.0
189.16383	2.6
191.14305	0.6
197.13278	1.8
199.11230	1.3
199.14819	2.5
201.12694	0.9
201.16417	1.1
203.14296	1.6
209.13403	1.0
211.14809	1.1
213.12828	2.9
213.16306	1.6
215.14371	2.0
217.15891	1.5
223.14777	1.1
225.16452	0.7
227.14365	1.1
227.18021	1.1
229.15710	1.1
231.13777	1.2
233.15479	1.1
239.14293	0.7
239.17934	0.9
249.14810	1.0
253.19685	0.6
255.17488	0.6
263.18048	0.6
375.30597	0.7
385.28778	0.7
403.29959	2.3
421.31198	4.1
431.29666	0.6
439.32004	3.1
449.30283	2.6
467.31598	18.7
485.32632	100.0
486.32922	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	485.3266
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
55.05502	4.8
55.17704	1.8
56.14416	1.9
56.96560	4.9
61.02930	1.9
67.05515	7.9
69.03424	2.7
69.07068	6.3
70.78245	2.3
70.78586	3.5
79.05503	7.9
81.03426	2.5
81.07059	15.0
81.65063	2.0
83.04964	3.6
83.08658	2.6
85.02878	2.0
91.05466	12.6
93.07048	15.7
95.04987	4.6
95.08614	24.9
97.06505	3.6
97.10220	2.1
98.97592	2.4
99.04507	2.1
105.07024	19.1
107.04994	2.6
107.08604	21.5
107.09272	2.2
109.06545	4.2
109.10163	11.5
111.08095	3.4
117.07062	5.4
119.08578	30.9
121.10147	17.5
123.08076	3.2
123.11724	6.3
125.09654	2.5
131.08578	11.8
133.10136	17.4
135.08101	5.3
135.11713	8.1
137.09639	3.0
137.13274	2.4
142.07855	1.8
143.08594	7.5
145.10127	16.8
147.11681	10.5
149.09631	4.8
149.13297	6.1
151.11238	2.2
155.08606	1.8
157.10121	11.0
159.08157	2.2
159.11687	10.9
161.09621	5.0
161.13306	5.5
163.11235	4.0
163.14938	3.3
169.10127	4.2
171.11751	7.6
173.09587	2.4
173.13268	11.0
175.14813	15.7
177.09024	1.7
177.16457	3.0
183.11749	4.0
185.13335	4.6
187.14845	10.2
189.12794	3.7
189.16425	13.7
191.14343	6.9
191.17935	3.2
195.11778	3.7
197.13379	5.4
199.14911	4.2
201.12781	2.3
201.16470	5.3
203.14378	6.0
203.18045	2.7
205.15936	3.7
211.14935	2.8
213.12750	2.8
213.16446	4.2
215.14343	3.0
215.18045	2.5
217.12366	2.2
217.16095	4.2
219.13849	2.9
221.15488	1.7
225.16383	2.5
225.35703	2.0
227.17949	3.7
229.15993	2.3
229.19574	3.1
231.13773	3.5
233.15504	3.0
235.16991	2.5
237.16620	1.8
241.19574	2.8
249.14998	5.7
253.19530	2.1
267.08997	2.1
267.21179	2.3
269.10782	4.1
275.20090	2.5
277.14508	3.0
285.10141	2.9
309.25827	3.1
355.26508	2.9
393.28000	2.0
403.30057	4.7
421.31012	8.3
425.47031	1.9
439.32327	15.0
449.30679	6.5
455.32428	2.0
467.31839	17.2
485.32846	100.0
486.34155	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	485.3265
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
51.28086	0.6
53.99271	0.6
55.05503	1.7
57.07064	0.8
67.05499	1.7
69.07073	2.0
79.05485	3.0
81.07056	4.7
83.08614	1.1
85.02856	0.8
91.05487	2.9
93.07031	5.4
95.08616	7.7
98.20721	1.4
105.07033	7.3
107.08597	6.6
109.06528	1.0
109.10152	2.9
117.06968	1.4
119.08588	10.2
121.10177	5.4
123.08048	1.4
123.11666	0.9
128.06230	0.9
129.06964	1.0
131.08597	3.5
133.10132	7.3
135.08073	1.4
135.11702	2.7
137.09584	1.5
143.08551	3.0
144.09271	0.9
145.10133	6.4
147.08052	1.8
147.11711	4.3
149.09660	1.1
149.13268	1.1
157.10139	3.6
158.10872	1.0
159.11682	5.2
161.09683	1.5
161.13275	1.6
163.11174	0.8
163.14853	2.1
165.09151	0.9
167.38602	0.6
169.10091	1.7
170.10948	0.9
171.11642	3.2
173.09659	0.7
173.13258	5.3
175.11197	1.3
175.14798	4.1
181.10017	0.8
183.11700	1.7
185.13281	3.1
187.11136	0.7
187.14844	5.3
189.16393	2.9
195.11757	1.7
197.13306	2.3
199.14827	1.8
201.12823	0.7
201.16434	2.4
203.17935	0.8
205.15948	1.2
209.13245	1.4
211.14868	1.9
213.12782	1.4
213.16356	1.3
215.14362	1.0
215.17879	0.7
217.15977	1.1
219.13828	2.4
221.13214	1.0
225.16452	1.1
229.15956	1.9
231.13756	0.8
237.16527	0.9
239.17859	0.8
241.19539	0.9
243.17419	0.8
249.81747	0.7
251.17868	1.1
262.26706	0.8
263.17789	0.9
267.17426	0.7
283.17325	0.8
287.19849	0.9
295.17096	1.4
302.51440	0.7
307.20721	0.9
345.25787	0.8
397.27429	2.8
403.29990	2.7
421.31165	5.4
439.32178	2.6
449.30566	2.9
467.31598	100.0
468.32050	2.5
485.32639	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	485.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17368	3.4
55.05519	4.8
61.00092	3.5
67.05507	19.2
69.03421	16.1
69.07062	10.6
70.38686	12.6
71.04637	4.2
71.04997	55.2
75.40206	3.3
79.05495	4.8
81.03439	4.6
81.07062	71.2
85.02905	15.6
85.06537	25.4
91.05485	6.4
92.61481	3.2
95.08614	57.8
97.02885	7.9
105.07026	4.8
109.10102	5.8
112.07603	18.4
114.05548	5.7
126.84466	3.2
127.03943	4.0
137.13254	13.5
153.01836	7.8
155.14311	100.0
172.13307	33.3
173.15369	35.1
191.08551	3.7
191.16440	51.7
193.08118	14.0
305.14465	7.5
323.15076	4.0
407.28329	3.8
425.12610	4.5
485.17877	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	485.3264
Annotation	Liquoric acid
Peak:m/z	Relative Intensity
54.14816	3.9
55.05505	9.9
67.05501	17.3
69.07066	17.1
69.41683	31.3
71.05013	4.4
79.05488	13.0
81.07067	40.8
83.04984	12.8
83.08633	8.0
91.05486	27.5
93.07050	37.1
95.08619	52.5
97.06532	7.3
97.10214	4.0
98.21503	7.6
105.07033	78.5
107.08598	48.5
108.27705	4.3
109.06569	6.0
109.10157	24.9
111.08081	4.8
117.07034	10.9
119.07772	7.9
119.08585	100.0
121.06573	7.0
121.10137	35.6
123.08066	13.2
123.11700	5.5
128.06178	4.3
129.07005	12.7
131.08572	37.5
133.10127	49.0
135.08075	8.2
135.11726	15.2
137.09634	5.4
140.78168	3.5
142.07806	5.0
143.08549	25.7
145.10123	65.1
147.08026	5.3
147.11703	31.2
149.09627	7.1
149.13268	13.7
155.08595	9.4
156.09352	9.7
157.10139	31.7
159.08087	6.2
159.11708	48.7
161.09616	15.6
161.13257	23.8
163.11137	8.6
163.14836	15.5
169.10132	10.1
170.10912	10.1
171.11671	24.0
173.09584	4.9
173.13248	44.6
175.11240	7.3
175.14825	63.8
177.12695	4.1
177.16405	19.3
182.10878	4.6
183.11716	12.1
185.13266	30.3
187.11243	7.4
187.14798	45.7
189.12692	7.3
189.16377	37.2
191.14279	6.9
191.17888	4.1
197.11716	9.4
197.13286	14.0
199.14821	23.6
201.12816	6.5
201.16391	26.1
203.14302	45.5
203.17989	4.7
205.15935	13.4
209.13283	6.9
211.14796	14.3
213.12793	6.4
213.16444	10.5
215.14365	14.4
215.17899	7.5
217.15915	14.7
219.17542	4.1
221.13431	4.8
221.15402	9.7
223.14854	5.0
225.16476	5.4
227.14270	6.4
227.17892	9.2
228.57062	4.8
229.15836	7.4
231.13908	5.8
231.17314	4.4
233.15363	6.8
235.16908	19.1
237.16298	7.9
239.17825	6.4
241.19695	4.6
243.21001	4.9
247.17035	7.8
249.14879	33.7
253.19533	9.8
267.15845	10.8
273.18524	5.0
301.21725	5.5
344.63666	3.9
379.08514	3.8
379.26508	6.2
385.28888	8.9
391.30121	10.7
393.31702	5.1
403.30005	37.9
419.29474	9.5
421.31067	39.7
431.29535	10.6
437.30566	12.0
439.32065	40.5
449.30518	34.8
457.33182	8.0
467.31552	58.2
485.32907	67.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
65.17490	0.3
69.03407	0.6
69.83256	0.6
69.83652	1.1
82.52228	0.3
97.02879	0.4
97.99935	0.4
101.00880	3.2
119.01929	2.8
120.95444	0.7
127.02485	0.4
131.01869	0.4
138.96405	1.6
139.02440	0.7
143.01878	0.8
145.03494	1.2
156.97478	9.3
157.03458	2.7
161.02979	0.5
174.98547	4.2
175.04572	1.2
180.97447	4.8
194.99005	4.1
198.98534	19.2
199.98718	0.4
205.05624	1.6
210.98544	2.4
212.14445	0.4
213.00107	12.4
216.99548	2.1
223.06631	1.1
225.00089	1.4
231.01172	0.7
245.05048	0.8
280.75681	0.3
285.02209	4.4
303.03259	100.0
304.03421	2.5
305.03101	2.0
321.04355	1.5
387.13443	1.5
408.20895	0.5
485.12543	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	485.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01870	0.2
55.05519	1.0
57.03444	0.2
67.05506	1.6
69.03430	0.9
69.07060	0.9
71.04988	0.6
79.05497	1.1
81.03422	2.0
81.07062	3.3
83.04973	0.4
83.08626	0.5
83.68975	0.1
85.02914	0.8
85.06528	0.5
86.09699	0.1
91.05471	1.2
93.07043	1.5
95.04971	0.3
95.08607	3.1
97.02894	0.9
97.06516	0.7
97.10181	0.1
99.04450	0.3
99.08117	0.3
105.07034	1.5
107.08588	1.0
109.02888	1.6
109.06540	0.3
109.10158	0.5
117.07005	0.3
119.08594	1.9
121.06507	0.2
121.10131	0.8
123.08054	0.2
123.11749	0.2
126.03120	0.2
127.03921	100.0
128.04254	0.7
129.07005	0.2
131.08559	0.4
133.10135	1.2
135.08089	0.2
135.11696	0.6
137.09550	0.2
137.13269	0.2
143.08633	0.2
145.10133	0.4
147.11734	0.2
149.13274	0.4
151.07578	0.2
157.10150	0.2
159.11711	0.3
161.13251	2.4
163.14749	0.2
165.09125	0.1
169.10123	0.2
173.13193	0.2
175.14833	0.4
179.14320	1.4
183.11659	0.3
185.13293	0.3
187.11179	0.1
187.14838	0.3
189.12646	0.2
197.13319	0.3
201.16328	0.2
203.14256	0.3
209.15311	0.2
251.16351	0.2
263.16516	0.1
287.16653	0.2
305.17542	0.5
323.18655	0.8
341.19531	0.2
403.30154	0.2
409.35489	0.2
421.31168	0.2
439.32416	0.2
477.78351	0.1
485.32901	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48887	0.7
52.00355	0.6
53.03951	2.0
55.01869	3.1
55.05501	3.4
56.96583	0.8
57.03435	5.4
57.07072	2.6
61.02680	0.8
61.02931	9.0
67.05506	2.2
69.03436	17.1
69.06716	1.1
69.07074	12.4
70.06608	0.7
70.95113	1.2
71.04991	5.4
73.02908	3.4
79.05493	1.0
81.03426	6.2
81.07051	2.5
82.73662	0.7
83.08619	4.0
84.08134	1.4
85.02908	100.0
86.09702	1.2
87.04457	1.8
91.03954	3.8
91.05486	0.9
93.07062	1.3
95.04964	1.2
95.08628	1.5
97.02898	26.4
97.06534	0.8
98.97593	0.9
99.04474	3.9
103.03960	0.7
104.10754	2.8
105.07012	1.2
107.08620	1.8
109.02878	7.8
109.06504	1.3
109.10175	1.2
115.03914	1.6
121.02836	1.7
121.10147	1.3
124.11253	3.0
124.99990	0.9
126.05531	1.1
126.12811	1.0
127.03921	22.8
135.08067	1.1
135.11758	1.0
138.05502	3.9
138.21324	0.7
139.07550	2.3
143.14328	2.1
145.04971	43.4
147.04317	1.0
153.12762	1.6
163.06020	13.0
166.67101	0.7
169.08643	1.4
171.13925	1.1
183.13863	1.0
184.07385	1.4
209.15352	0.9
212.50044	0.7
244.93701	0.8
251.16531	1.7
262.89886	0.7
269.17575	3.0
287.18686	1.4
305.19638	1.1
329.12448	0.9
484.29147	1.2
485.24509	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.05506	1.6
56.05037	28.4
61.02905	0.9
63.41562	0.9
65.03954	0.9
66.13577	0.8
66.86716	0.7
67.05491	2.6
68.01387	0.8
69.03420	2.4
69.07056	2.2
69.24118	9.2
70.06606	1.4
79.05488	3.4
81.03425	0.9
81.07060	8.5
81.56977	0.9
85.02910	1.2
86.09715	1.7
91.05452	2.0
91.28937	0.9
93.07040	1.6
95.04964	1.2
95.08583	1.3
97.10155	0.9
98.09712	2.1
98.20753	1.6
104.10741	2.9
105.06999	1.9
106.06542	2.0
107.08568	1.3
108.08103	1.6
110.02414	1.0
110.09657	0.9
119.08578	1.1
122.02415	2.0
127.03899	2.6
133.10098	1.2
136.07564	3.7
138.05478	3.0
143.05057	1.0
145.10190	1.3
146.09576	1.3
147.04375	1.7
147.55023	0.7
148.07568	8.9
150.09184	1.3
156.91570	0.7
160.07593	8.6
161.05995	1.0
164.07047	3.2
166.08650	21.3
171.09229	1.1
172.07527	1.8
173.17529	1.0
174.09142	6.5
178.08594	1.4
182.04486	1.7
184.07414	1.7
185.07137	1.5
186.05437	1.0
192.10236	1.3
196.05997	1.0
198.09137	1.7
199.08633	3.3
200.07025	1.7
200.09476	0.9
201.10255	1.8
202.08659	1.7
211.08675	0.8
213.10219	6.7
215.08124	1.8
218.08150	1.7
220.09686	20.6
223.08537	0.8
227.08153	5.1
227.11583	1.0
228.06467	2.0
229.09804	1.0
231.11316	1.3
237.10251	3.0
238.08691	1.3
240.10202	1.4
241.09711	9.7
242.10492	1.4
243.11324	5.3
245.09244	3.3
246.07581	12.1
251.08185	3.1
255.11343	4.6
259.10818	7.0
264.08691	2.3
265.09634	2.6
267.11230	1.7
268.09708	1.6
269.09183	13.1
271.02304	2.0
271.11621	1.3
271.14401	9.7
273.12289	2.5
283.02243	2.8
283.10764	7.0
285.12341	11.6
287.10257	9.6
289.15402	3.6
299.01895	12.8
301.11871	18.4
303.13446	1.1
311.01901	1.9
311.10260	14.1
327.01337	1.9
329.11337	100.0
330.11755	1.7
331.12848	1.6
337.03421	1.5
339.01276	2.7
347.12442	5.6
354.06104	1.1
361.13962	27.1
363.15765	0.9
364.04501	2.4
379.08041	3.4
382.05600	17.8
407.07220	1.6
419.79480	1.0
424.10236	12.1
434.17172	1.3
442.11414	7.2
452.18118	10.6
466.11328	8.8
484.12140	1.8
484.22336	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	484.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.9
56.96579	0.7
57.16892	0.7
57.17938	0.6
59.65957	0.7
65.03938	1.5
67.05517	3.5
69.03431	4.2
70.09200	3.0
73.02931	0.7
79.01849	0.6
79.05492	1.2
81.03411	1.5
81.07053	1.1
83.05012	0.7
85.02922	3.7
88.44223	0.7
93.05785	1.3
96.08142	1.1
97.02913	2.0
106.06540	2.4
108.08122	100.0
109.02892	1.1
109.08416	0.7
117.03185	0.6
121.71268	0.6
123.06839	4.3
124.07601	15.3
124.08476	1.2
124.11228	1.4
125.02343	0.7
125.09640	1.7
126.05528	0.8
127.03965	1.5
134.06029	10.2
136.07588	15.9
137.06038	0.7
137.08369	1.0
142.12326	0.8
147.04356	0.7
152.07074	53.2
153.01836	2.8
154.08656	2.5
170.31555	0.7
201.75758	0.7
206.04425	1.1
231.02867	0.7
232.51411	0.7
237.02827	0.9
259.02512	1.1
260.02808	0.9
260.09271	0.8
277.03479	1.9
278.03867	1.7
303.01270	0.9
314.12338	62.2
484.07367	1.3
484.14169	8.3
484.20004	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	8.5
55.01876	2.9
57.03428	3.4
69.03436	19.4
70.08768	6.8
71.04988	3.5
71.12578	1.6
79.05493	5.6
81.03426	26.1
81.07055	2.1
85.02910	10.2
86.09679	2.1
91.05496	14.2
95.01335	47.8
97.02905	21.8
98.20750	1.8
98.97623	2.5
99.04435	5.4
103.05473	4.3
105.07038	48.2
105.07745	2.4
108.04501	8.9
109.02888	25.2
110.07730	2.1
113.02373	47.9
115.05486	10.5
115.55730	1.8
118.04147	3.0
126.05521	3.9
127.03922	24.9
131.04932	2.7
133.06497	41.9
140.07024	1.8
141.84235	1.6
143.06046	5.5
143.18105	2.0
145.05016	2.1
147.04401	6.5
153.01823	4.6
155.14330	3.1
161.05992	100.0
170.02794	2.1
193.06844	3.5
193.08623	69.2
196.08401	1.8
205.12085	1.8
221.04576	2.2
239.05501	32.9
239.07809	2.3
256.08008	2.3
257.06604	4.2
342.71680	2.2
387.28073	1.8
423.76224	1.9
461.07858	1.9
484.23407	2.5
485.19714	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	484.124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70076	0.9
53.03946	2.6
55.05506	3.1
56.05036	12.5
56.51853	0.9
65.03921	1.5
67.05519	5.8
68.05030	21.5
69.03410	1.7
69.07067	3.6
70.06602	8.5
71.61927	1.6
79.05489	10.6
80.05021	2.5
81.03426	1.5
81.07058	30.3
82.06570	1.9
84.08118	1.9
85.02905	3.0
85.06542	1.8
86.09709	1.5
91.05476	4.2
93.07043	4.8
94.06564	2.0
95.04949	2.7
95.08604	4.8
96.04494	1.9
97.02904	2.7
97.06500	1.6
98.09664	2.2
98.97564	1.4
104.10718	1.3
105.07043	4.5
107.07349	1.6
107.08588	3.3
108.08167	1.4
109.06518	1.0
109.10157	3.1
110.09676	5.1
110.10368	1.1
119.04934	2.4
119.08575	5.3
120.08139	1.7
120.08940	1.1
121.10128	2.9
123.11717	1.1
125.09626	1.6
127.03890	2.0
128.04247	1.1
131.08556	2.3
133.10121	2.3
135.11662	1.1
138.09126	2.6
143.08585	1.3
145.10165	1.8
147.04443	10.0
147.11693	1.5
148.04790	2.9
149.09547	1.5
154.08607	1.2
157.10168	2.6
159.11761	1.4
161.09686	1.4
163.06248	1.1
167.92062	1.1
171.09926	1.1
171.11696	1.3
173.13290	3.8
174.13640	1.9
175.14819	1.1
183.11728	1.5
184.07310	1.7
185.13292	3.5
186.13647	1.6
199.03754	1.2
199.11220	1.7
201.12825	2.5
202.13142	1.7
203.14349	1.4
214.70616	1.2
215.03409	1.8
224.06908	1.2
231.02840	1.2
241.01268	2.0
243.02925	2.7
247.13321	15.4
248.13579	6.1
257.00870	2.2
259.02396	1.4
269.00854	1.6
271.02545	5.4
280.06140	2.3
283.02402	6.5
285.00330	1.6
287.01871	5.6
297.00409	2.4
297.04065	1.1
298.00815	1.7
298.03735	2.6
299.01865	27.0
309.03934	6.1
311.01993	3.5
312.99792	4.4
313.03204	1.6
314.03094	3.0
315.01358	23.7
323.01993	5.7
324.01514	1.6
325.03427	1.8
326.02994	3.7
335.05667	2.1
336.05005	10.3
337.03442	6.7
338.02914	11.0
339.01428	5.8
339.05008	2.1
340.04367	1.7
354.02356	5.7
354.06189	13.6
362.03043	1.8
363.04938	9.8
364.04507	70.6
365.02866	1.3
366.06198	2.4
376.04807	1.9
378.06052	3.5
379.08334	1.6
382.05585	48.8
382.10504	2.4
383.05688	1.2
389.06619	1.7
406.09235	30.1
424.10275	100.0
425.10721	2.9
442.11362	6.3
466.11407	6.0
484.12451	86.9
484.32132	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	484.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19763	0.8
53.03937	1.1
55.01849	0.9
55.05498	2.1
56.05037	100.0
61.02920	1.6
62.71081	0.8
67.05499	3.1
69.03424	2.8
69.07058	3.5
70.06595	1.3
71.04984	1.0
71.47414	0.9
79.05493	7.0
81.03450	1.4
81.07057	20.8
83.08627	0.8
84.08121	1.0
85.02898	6.3
85.06479	1.0
86.09692	2.3
87.04446	1.0
91.05453	1.7
93.07052	1.4
94.06586	0.9
95.01333	1.1
95.04935	0.9
95.08582	1.5
96.08147	1.8
97.02892	2.6
97.06552	1.2
98.00661	1.0
98.09698	16.4
105.07033	3.0
107.08593	1.7
109.02844	1.4
109.10148	1.7
113.09661	1.2
116.01646	2.1
119.08580	1.8
121.10150	1.1
127.03894	2.4
132.08073	1.7
133.10085	1.3
136.07558	2.3
138.05516	2.1
141.09064	1.4
145.04962	1.3
146.09669	1.2
147.04369	1.2
148.07524	2.2
150.09148	1.0
160.07579	5.1
163.05972	1.0
163.40373	0.9
164.07056	2.0
165.05522	1.2
166.08609	5.3
174.09163	4.2
178.08630	1.9
186.05301	0.8
198.09265	1.1
199.08717	2.8
200.07187	1.4
202.08658	1.6
213.10217	3.7
218.08104	0.9
220.09674	13.3
223.08684	1.1
227.08208	2.4
228.06636	2.3
237.10272	2.6
241.09633	4.4
243.11314	2.0
245.09175	1.6
246.07594	9.5
251.08315	1.9
255.02977	1.1
255.11354	2.4
259.10776	3.0
264.08600	2.3
265.01413	1.4
265.09735	2.0
268.09607	1.0
269.09198	8.7
271.02328	4.6
271.14374	1.7
273.12350	1.4
283.02368	11.7
283.10776	5.6
285.12314	3.2
287.10300	7.4
289.15546	1.2
299.01865	25.7
300.02167	1.0
301.11786	9.6
302.10065	1.1
309.03806	2.2
311.01831	6.4
311.10263	9.3
313.03488	2.1
317.08322	1.5
319.12909	1.6
323.01843	2.6
325.03448	2.3
327.01373	5.2
329.11337	47.6
331.12973	0.9
337.03430	2.3
339.01404	9.6
354.05951	3.9
361.13959	60.2
364.04401	2.3
379.08124	5.9
382.05609	39.1
396.10794	1.4
406.09305	1.3
407.07593	4.5
424.10306	38.2
434.16983	1.9
442.11371	12.9
452.17929	3.7
458.45538	0.9
466.11353	73.2
467.11478	1.3
484.12479	9.6
484.21823	5.4
485.19589	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	484.124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.05506	1.5
56.05038	100.0
57.03418	0.9
58.02803	0.9
60.04503	0.8
61.02907	1.2
67.05505	3.4
68.08996	0.8
69.03423	2.3
69.07067	2.7
69.37196	8.2
70.06594	1.6
71.04985	1.2
74.09681	0.7
75.54742	0.7
79.05487	6.3
80.39293	0.7
81.03408	1.1
81.07062	21.6
83.05019	1.0
85.02900	6.5
86.09711	3.2
91.05489	1.9
93.07053	2.5
95.04974	1.0
95.08625	2.0
96.08089	1.7
97.02878	1.5
97.10183	0.9
98.09692	18.0
99.04478	1.4
104.10732	1.6
105.07024	2.0
107.08590	1.4
108.08119	0.9
113.09633	1.8
116.01671	1.3
119.08557	1.1
121.10103	1.3
122.02371	1.1
127.03928	2.3
132.08084	1.7
135.11624	1.1
136.07602	2.5
138.05518	1.8
141.09093	2.3
145.04903	2.0
145.10107	1.4
145.34543	0.8
148.07573	1.6
149.09631	1.0
150.09242	0.9
160.07596	5.8
164.07065	3.2
166.08653	4.0
174.09155	3.4
175.46225	0.8
178.08652	1.7
185.10767	1.0
199.08714	2.2
200.07137	1.7
202.08624	1.2
213.10272	3.7
218.08112	1.0
220.09691	15.7
227.08180	3.7
228.06667	1.5
237.10234	1.2
241.09793	5.0
243.11386	1.4
245.09195	1.1
246.07597	8.4
251.08109	2.8
255.11316	2.1
256.09457	1.1
259.10852	3.5
264.08798	2.0
265.09692	1.7
267.02997	1.0
268.09613	1.4
269.09174	8.4
271.02219	4.1
271.14456	2.2
273.12415	1.2
283.02393	8.4
283.10815	4.8
285.12384	3.0
287.10294	6.5
299.01874	26.0
301.11884	9.7
309.03915	1.2
311.01819	6.0
311.10251	7.9
313.03473	2.5
317.08432	1.2
323.01917	1.9
325.03229	1.5
327.01300	5.1
329.11343	46.2
331.12759	1.0
337.03479	2.9
339.01340	10.0
347.12430	1.3
354.06064	2.5
361.13950	58.5
364.04504	2.6
379.08368	6.0
379.59091	0.9
382.05579	41.7
383.06232	1.0
406.09219	1.1
407.07477	3.3
424.10297	36.2
434.17236	2.3
442.11472	11.7
452.18268	4.6
459.34854	1.1
466.11356	72.8
467.11539	3.4
484.12418	8.5
484.22122	6.5
484.28754	1.3
485.19977	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	26.9
57.03427	7.0
57.07064	7.5
64.36846	6.2
67.05486	11.4
69.07072	31.2
71.08628	8.1
71.61564	7.5
81.07056	13.0
83.08617	24.7
91.05476	7.8
93.07045	10.9
95.08609	10.9
97.10166	21.4
98.98457	10.5
105.07016	10.7
107.08592	12.1
109.10100	7.3
121.10110	9.7
133.10133	9.7
135.11690	5.9
155.01031	9.2
156.33951	6.5
161.32281	6.5
188.80647	6.2
221.80394	6.1
255.10918	6.5
255.41821	6.6
311.25800	94.0
483.32254	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	11.4
59.20223	5.0
67.05489	19.0
69.03410	9.6
69.07048	17.5
71.47073	4.7
71.62395	6.7
72.99097	4.7
79.05466	8.5
81.07041	41.6
83.08627	6.4
91.05469	19.6
93.07053	50.9
95.04937	7.9
95.08610	45.2
97.02909	5.9
97.04085	5.4
97.05880	4.8
105.07037	48.6
107.08597	48.1
109.06490	10.5
109.10159	34.6
111.08102	5.4
116.85837	5.1
119.08573	71.1
121.06501	9.1
121.10152	36.3
123.08057	11.0
123.11709	9.8
125.09541	6.7
128.06218	5.3
129.07051	10.4
131.08578	44.6
133.10130	46.7
135.08009	18.1
135.11694	17.6
136.38503	5.4
137.09589	7.5
139.07503	5.9
142.07848	5.9
143.08566	22.4
145.06433	5.6
145.10109	54.3
147.08008	9.2
147.11667	25.6
149.09586	5.3
149.13240	13.9
151.07451	5.1
153.09138	9.7
155.08582	7.9
157.10118	29.7
159.11694	34.4
161.09555	4.9
161.13274	22.5
163.14838	11.3
169.10172	13.7
171.11671	21.6
173.13261	28.8
175.14854	29.4
177.12701	5.9
177.16396	12.1
181.08623	47.6
181.10088	6.3
183.11703	18.1
185.13261	20.8
187.14827	59.3
189.16356	13.8
195.11652	10.0
197.13274	12.9
199.14812	28.7
201.12866	7.9
201.16379	54.2
203.14206	6.4
203.17946	11.1
205.12465	5.8
207.13797	4.9
211.14774	8.5
213.16357	25.6
215.14368	6.4
223.14812	5.8
225.16426	9.7
227.17709	9.1
239.17979	17.3
245.15421	14.1
251.17970	7.8
253.19550	12.8
263.16409	19.3
295.00671	5.0
307.24170	8.6
309.25723	6.6
361.92862	5.1
377.28500	5.8
401.28284	8.1
419.29410	19.6
437.30551	79.1
438.30807	5.8
439.32220	31.5
465.29883	21.8
483.30566	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
55.01880	2.0
55.24360	1.3
57.03425	1.2
58.90844	1.2
60.04498	1.2
61.01151	2.7
61.02892	1.4
64.24451	1.2
67.05504	1.9
67.28273	1.1
69.03429	6.1
69.07051	1.2
70.29626	1.1
70.38322	2.9
72.04522	10.5
73.00382	1.3
78.03780	5.7
81.03402	4.7
81.07063	1.4
85.02924	9.9
85.06531	1.8
86.06040	1.4
88.02201	3.2
91.05490	1.7
95.04960	1.4
97.02882	5.3
99.04469	1.8
99.05571	4.0
102.03779	6.7
103.01517	1.2
103.02170	20.5
107.93638	1.3
108.08129	2.2
109.02862	3.4
112.07610	2.1
114.03799	7.7
114.05530	29.8
118.06530	3.9
120.04804	18.9
124.07588	1.8
124.11218	2.0
126.72834	1.2
127.03909	3.2
129.38153	1.2
131.06377	1.7
132.04773	8.5
136.07555	1.9
139.54765	1.2
140.07153	1.2
142.08640	3.8
145.07639	6.0
146.05984	3.0
148.07561	1.8
149.07455	14.2
149.26108	1.2
157.21397	1.4
159.05884	6.4
173.05658	2.0
173.07112	32.0
174.05849	3.4
174.07889	2.3
184.09752	2.4
189.10240	1.8
191.08498	100.0
202.10954	2.9
203.11818	2.7
206.08441	4.3
211.12335	2.8
221.10704	2.0
224.09468	1.9
227.07852	1.3
229.13411	2.1
231.02928	2.6
232.12126	1.6
239.11745	4.8
244.12015	2.0
253.84479	1.3
257.12921	10.7
258.11188	2.1
259.02307	2.5
262.13046	2.8
267.11404	12.1
269.87869	1.6
275.13882	8.9
277.03427	9.3
285.12323	20.1
290.12585	2.6
303.13531	76.5
304.13757	1.6
321.14444	32.0
483.07068	2.3
483.19931	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	483.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	4.8
55.05507	7.0
56.96551	5.2
57.03428	5.1
65.03947	4.0
67.05508	15.2
69.03434	34.1
69.07072	14.7
69.36447	23.9
71.05006	6.5
79.01862	6.3
79.05492	14.7
80.65881	3.3
81.03432	18.9
81.07059	26.2
83.04974	6.4
83.08611	4.7
85.02905	27.1
85.06521	9.1
86.09720	7.3
87.30505	3.0
91.05473	13.6
93.07055	27.9
95.01336	42.3
95.04954	7.2
95.08620	28.4
97.02888	13.8
97.06520	7.5
97.10177	5.3
98.97575	6.9
99.04423	5.7
99.08094	10.9
105.07033	27.8
107.04943	8.4
107.08605	42.5
109.02875	16.9
109.06525	12.9
109.10152	14.7
111.04488	4.3
111.08060	8.5
113.02370	77.8
119.04916	3.5
119.08596	14.7
121.06504	14.1
121.10171	27.4
123.08098	15.4
123.11688	7.2
125.02318	4.1
125.06024	3.7
125.09643	8.1
127.03934	59.0
128.06172	3.4
131.08571	16.3
133.10146	19.6
135.08052	14.6
135.11687	6.9
137.05981	13.4
137.09627	9.4
138.05513	3.6
139.07495	3.8
143.03427	7.0
143.08604	3.6
145.10146	7.8
147.04398	12.8
147.08139	3.9
147.11703	12.4
149.09630	50.9
149.13268	10.6
151.07527	5.8
151.11194	11.1
153.01836	100.0
153.09071	5.2
157.06459	3.4
159.08089	4.0
159.11673	7.6
161.09644	3.4
161.13286	3.0
163.11188	5.9
163.14839	21.8
167.07108	4.3
171.52682	2.9
173.13242	18.5
173.31389	3.1
175.14914	5.0
177.09167	3.7
184.07378	7.9
191.14305	47.5
196.67674	3.2
204.67764	3.0
209.15385	62.7
239.05495	11.9
257.06512	8.4
287.05652	7.5
288.05914	5.2
321.16965	4.4
344.04175	3.4
459.38571	3.3
483.12454	21.2
483.21472	17.8
483.31525	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	483.1839
Annotation	Trp Asp Tyr
Peak:m/z	Relative Intensity
55.05511	0.5
67.05498	1.2
69.03413	1.7
69.07047	1.6
69.54111	3.2
69.54520	1.0
70.06597	1.1
78.16747	0.6
79.05503	0.9
81.03401	1.7
81.07049	0.6
85.02887	1.7
87.04395	0.9
91.05466	1.1
95.08620	0.9
96.41792	0.6
97.02888	1.4
98.97585	1.3
116.04932	0.6
119.08523	0.7
120.08134	1.1
124.11252	0.6
127.03911	1.6
130.19223	0.6
130.28635	0.6
146.59790	0.6
147.04410	1.2
153.01834	4.6
162.05380	0.6
164.07056	2.0
222.65984	0.6
224.36987	0.6
229.12953	0.8
255.11345	1.3
257.12939	0.6
285.12225	1.8
286.17166	1.0
287.05841	0.7
303.13464	2.7
321.16724	0.7
435.18082	0.7
483.18341	100.0
484.18619	2.1
498.22281	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82109	1.3
56.96566	2.3
61.02931	1.0
63.45064	1.0
69.03415	4.5
69.16303	1.1
70.06601	1.2
81.03429	5.6
81.07060	1.5
85.02921	4.8
97.02910	3.1
99.04491	1.8
109.02866	2.8
127.03886	2.7
129.93604	1.0
137.01149	1.0
137.02380	1.7
137.05977	1.3
143.03485	1.2
147.04437	1.4
153.01819	8.6
158.11858	1.4
163.02768	1.8
169.01405	1.5
187.04022	1.4
196.09894	2.9
206.04486	2.1
206.08369	7.0
207.05296	1.6
211.12370	2.2
219.03044	1.9
220.10013	1.6
221.10828	3.3
224.09506	4.4
231.02887	6.2
235.02477	1.4
238.11098	2.7
239.11795	7.5
241.01434	2.3
241.09669	1.4
251.08107	1.3
259.02414	7.6
267.11282	22.4
267.13962	1.7
272.11523	1.7
275.01883	2.0
277.03467	19.8
285.12308	21.1
289.03671	1.6
303.01453	6.7
303.13388	32.5
321.02094	2.0
321.10071	2.9
339.02490	1.8
339.11261	4.2
363.11267	1.8
369.45340	1.2
483.07205	5.7
483.18457	100.0
484.18539	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	483.0001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07832	0.6
56.95329	0.6
56.96569	1.3
60.75953	0.6
62.84487	0.6
63.89726	0.6
69.57847	5.0
88.89440	0.6
95.21198	0.6
98.97592	7.5
101.55405	0.7
108.36130	0.7
116.98606	4.3
134.99683	1.4
156.96561	1.0
174.97615	5.7
190.95509	1.3
192.98749	4.6
208.96748	1.1
214.95650	6.5
216.98694	3.8
232.96680	16.1
233.96829	1.1
234.99736	6.0
238.95735	1.4
240.98964	1.0
250.97763	10.7
256.96695	32.3
257.96878	1.2
258.99982	8.6
260.99802	1.1
261.03000	1.5
274.97754	59.4
275.98007	2.7
277.00970	6.4
278.00992	0.9
280.96884	2.8
282.99963	11.1
284.00192	1.7
284.99817	2.3
289.96524	1.0
292.98767	8.4
297.99377	1.4
298.97754	80.5
299.97906	3.2
301.01001	11.4
301.14728	0.9
302.01025	1.3
303.00830	1.4
305.00647	1.0
314.95905	1.0
316.98813	100.0
317.99069	4.0
318.99176	1.0
332.96976	1.4
334.99921	2.8
340.00394	2.8
340.98911	3.0
356.96915	1.9
358.99924	8.1
374.98062	4.1
380.97089	0.9
398.98029	4.3
401.01212	2.0
416.98965	11.7
422.97739	5.8
425.01038	1.6
429.01358	0.8
440.98944	81.9
441.99164	4.4
443.01999	2.1
447.01764	1.2
458.99963	77.2
459.24811	1.1
460.00058	4.9
469.48608	0.7
477.00995	1.3
482.01602	4.3
483.00452	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	481.329
Annotation	Kermadecin E
Peak:m/z	Relative Intensity
50.10593	0.5
55.05500	0.7
59.04989	0.7
67.05486	1.0
69.07068	0.5
69.23624	0.5
70.89700	1.2
75.37852	0.4
81.07049	1.5
93.07057	0.7
93.74078	0.4
95.08589	1.1
107.08611	0.9
109.10181	0.9
121.10183	0.5
122.76656	0.4
123.39445	0.4
131.02448	0.5
132.43977	0.5
147.11667	0.6
157.10110	0.6
168.02267	0.5
214.95134	0.4
402.33398	0.5
481.32959	100.0
482.33405	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
55.05508	3.7
56.96565	1.5
57.03437	4.0
59.04982	2.1
67.05508	3.6
69.03433	19.3
69.07070	2.9
70.06586	2.7
71.04995	12.5
71.61296	2.0
73.06546	4.0
74.60310	1.1
79.05490	5.3
81.03419	6.4
81.07055	16.0
83.04983	2.0
85.02907	15.8
85.06544	1.6
87.04482	13.4
91.05479	3.7
91.64969	1.2
93.07047	12.2
94.04190	1.8
95.04981	2.3
95.08603	5.4
97.02906	18.3
98.97581	1.8
101.04474	1.1
102.09164	1.7
105.07034	2.2
107.08601	10.6
109.02858	2.3
109.06485	1.7
109.10154	2.0
111.04437	1.3
112.07608	1.9
115.03938	23.5
116.98623	1.6
119.04937	1.8
119.08566	1.5
122.03629	2.5
123.08071	1.9
124.11253	1.4
127.03960	6.2
127.99998	1.2
128.04298	1.4
133.04970	20.2
135.11702	16.4
137.05984	33.0
137.09573	1.4
138.05467	1.9
138.06346	12.2
139.03847	1.5
140.07152	1.4
144.10231	2.0
145.05011	4.3
147.04372	2.3
151.07585	1.8
151.11201	2.1
153.01849	3.0
153.12752	100.0
165.07141	1.4
167.07138	2.4
191.14243	1.5
193.12254	1.6
259.08224	1.8
266.09009	3.0
285.11090	1.4
285.16907	3.2
286.11414	1.9
289.10196	3.0
289.15335	1.7
320.04947	2.1
482.17389	5.3
483.18530	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.1
55.05511	13.8
59.04961	3.6
67.05505	24.9
69.03065	4.6
69.03430	69.0
69.07067	18.5
71.04984	8.1
71.61571	3.5
72.29857	2.5
73.02930	3.3
79.05492	15.1
81.03426	32.0
81.07059	32.9
83.04983	6.1
83.08591	5.0
85.02912	15.5
85.06546	7.3
86.09697	3.4
91.05483	15.1
92.07043	2.4
93.07045	21.3
95.01333	35.3
95.04970	11.2
95.08604	27.0
97.02895	13.7
97.06519	11.7
97.10166	9.8
99.04442	9.1
103.05454	2.5
105.07035	27.3
107.04961	3.6
107.07884	3.5
107.08578	20.7
109.02177	3.8
109.02859	22.5
109.06522	14.2
109.10142	23.8
111.04458	4.1
111.08084	8.7
113.02374	39.3
117.07047	7.0
119.04953	3.3
119.08598	21.0
121.06497	5.6
121.10123	21.3
122.07320	2.9
123.04414	16.5
123.08070	8.8
123.11702	7.3
124.11230	10.1
125.05989	4.9
125.09637	9.5
125.11555	4.1
127.03902	23.7
127.11182	3.8
131.08568	5.4
133.06485	10.2
133.10115	43.5
135.08051	4.7
135.11691	4.7
137.05971	22.9
137.09615	27.0
139.11192	25.3
143.08582	4.6
145.04979	2.8
145.06644	2.7
145.10114	8.0
147.04425	11.9
147.08031	5.8
147.11693	28.5
149.09610	8.3
151.07515	7.6
151.11191	4.6
153.01834	5.4
153.09187	3.5
156.09331	4.7
159.11641	5.9
161.09619	6.9
161.13287	11.1
163.03871	3.3
163.11209	12.2
165.09090	4.9
167.07050	5.2
169.10100	3.1
171.11678	9.8
173.09674	3.4
173.13271	4.8
175.11160	3.9
176.73869	2.3
177.12823	3.1
187.11143	4.3
189.12737	34.2
191.14302	3.0
193.08453	2.8
207.13799	100.0
225.14774	26.5
225.16519	3.0
239.05498	12.6
243.17503	5.5
252.36411	2.6
257.06433	3.6
319.19000	4.3
342.69229	2.7
356.02118	2.6
409.27441	3.8
427.28452	6.0
445.28922	4.0
463.30597	4.2
481.06131	4.2
481.19150	12.0
481.23822	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	8.2
55.05513	12.5
57.03429	8.6
67.05511	20.2
69.03439	34.6
69.07034	5.4
69.76751	8.8
69.77153	20.1
70.60141	3.8
79.05487	11.3
81.03417	21.9
81.07062	7.9
83.05000	4.9
85.02921	33.3
85.06548	12.0
88.16986	3.9
91.05469	10.5
93.07039	12.4
95.01336	63.7
95.08601	63.4
97.02905	20.1
99.04471	5.1
99.49010	3.7
105.07028	11.9
107.08595	15.1
109.02892	18.0
113.02377	100.0
119.08619	20.5
121.10134	7.0
123.08086	21.9
124.11231	9.8
125.09671	8.7
127.03918	30.4
133.10141	6.5
135.11729	7.6
137.05997	18.9
137.09692	6.2
145.04950	5.4
147.11694	11.9
149.09627	61.9
161.13271	11.3
165.09114	4.9
167.07027	5.6
174.10504	4.8
175.11078	4.5
189.12785	37.2
207.13820	82.9
231.60654	3.9
239.05399	21.1
257.06622	14.4
264.13644	4.4
287.05508	7.0
297.11279	4.6
301.14499	6.0
338.44815	4.2
395.65662	4.9
481.22501	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	4.2
66.73112	3.9
67.05511	20.0
69.03432	24.6
69.41692	35.4
79.05497	3.9
80.25144	4.2
81.03398	13.7
81.07034	4.8
83.04971	9.2
85.02914	22.5
85.06537	9.7
91.05485	9.6
93.07012	5.3
95.01327	56.6
95.08613	53.6
97.02890	13.0
98.21557	7.4
99.04442	4.3
105.07023	8.4
107.08585	12.1
109.02874	28.3
109.06481	4.3
113.02370	100.0
113.05972	4.5
119.08559	19.4
121.06490	5.8
121.10127	13.2
123.08043	18.7
124.11236	4.3
127.03893	19.1
133.10115	5.4
134.12727	4.4
135.11734	7.4
137.05971	7.9
137.09615	5.7
145.04906	4.4
147.11707	9.8
149.09631	61.5
161.13284	11.2
189.12723	29.6
207.13805	72.6
227.69521	4.1
239.05400	25.3
257.06567	16.6
481.22388	17.7
509.48236	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	480.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	23.1
59.04980	4.5
67.05499	5.5
69.03436	85.6
69.07069	50.8
69.52391	15.6
69.52803	12.1
71.05000	4.8
81.03413	4.9
81.07071	19.3
85.02910	57.1
87.04475	64.9
93.07049	6.4
95.08610	8.0
97.02895	90.3
98.20763	8.0
107.80418	3.8
109.02881	4.4
109.10153	5.6
115.03946	95.2
121.06454	4.1
123.11719	58.4
124.04785	3.6
127.03932	8.8
133.04974	100.0
134.10487	3.9
137.06035	5.0
145.04939	10.0
146.06027	32.9
147.04381	5.2
151.11192	44.6
169.12204	3.8
174.05510	7.8
201.12671	4.0
247.13219	11.2
265.14481	4.7
283.15460	7.9
415.27313	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	480.3088
Annotation	PE(18:1(9Z)/0:0)
Peak:m/z	Relative Intensity
55.05513	13.3
57.03438	4.6
57.07067	4.6
62.06095	22.0
67.05504	9.7
69.07068	16.6
71.04986	2.0
71.08629	3.9
79.05489	5.4
81.07058	10.2
83.08627	10.9
90.15696	1.7
93.07060	7.4
95.05018	1.9
95.08617	12.3
97.10165	6.5
98.98468	6.0
105.07056	8.5
106.07349	1.8
107.08595	3.8
109.10155	6.2
111.08115	1.8
119.08573	2.1
121.10127	4.9
135.11687	4.7
139.10997	1.9
155.01047	7.5
179.80386	1.5
198.05267	1.9
216.06282	2.7
251.40878	1.5
265.25354	5.2
267.09186	2.8
271.15131	2.5
274.26004	1.6
280.39511	1.7
308.29510	12.7
339.28967	100.0
391.34378	1.7
419.25409	2.7
462.29449	3.3
480.31540	10.1
481.33237	2.1
497.59131	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
55.01859	13.5
55.05507	7.1
57.03443	29.5
59.04988	5.3
61.02913	7.3
67.05492	9.1
69.03428	48.9
69.06727	4.5
69.07072	64.3
70.91815	10.5
71.01339	3.8
71.04992	6.6
73.02924	29.7
79.05479	4.5
81.03395	6.1
81.07058	34.6
85.02909	79.5
87.04454	12.4
91.05492	6.2
93.06991	9.4
95.08583	11.1
97.02357	4.3
97.02893	45.2
98.97598	5.5
103.05450	3.3
105.07028	9.2
107.08591	8.4
109.02853	6.8
109.06526	5.4
109.10144	14.2
115.03934	38.8
123.11713	100.0
127.03916	23.8
133.04962	39.5
137.05988	7.2
145.04973	25.4
151.03952	3.8
151.11188	79.6
152.07008	6.1
154.08562	3.7
165.09149	3.7
169.12201	6.8
179.10817	4.0
193.58035	3.8
196.25612	3.9
197.04796	4.4
239.11794	6.7
267.11252	5.0
279.11380	10.1
281.12665	4.9
283.15302	11.7
297.12466	5.3
313.16660	4.4
339.13113	8.1
340.13879	8.2
480.21091	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	479.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	24.8
55.39066	5.5
57.06813	7.5
57.07080	100.0
67.05503	16.5
68.97131	4.7
69.07079	29.8
71.08636	93.8
71.61047	5.1
71.61469	5.5
79.05493	19.6
81.07067	47.3
83.04971	17.0
83.08627	30.4
85.06537	8.6
85.10186	53.2
88.06657	5.2
89.81400	4.8
93.07067	38.3
95.08597	35.7
97.06570	7.3
97.10170	14.7
99.08100	9.0
101.06026	32.9
107.08605	38.1
109.06499	11.8
109.10165	24.0
111.08028	8.7
111.11720	12.8
115.07566	9.1
120.05064	5.6
121.10121	26.0
122.81561	5.3
123.11738	12.1
125.06008	10.6
127.07563	88.2
129.05487	89.5
132.90999	5.6
135.11693	20.9
139.07558	7.2
143.07024	11.5
149.13266	19.6
163.14816	15.5
167.14285	8.8
177.16365	9.2
181.15981	6.8
191.17976	11.1
195.17471	8.8
223.17012	5.2
227.57738	6.0
289.28751	9.8
307.29935	12.7
410.35541	5.3
430.24438	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	479.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11080	7.5
55.05512	11.0
57.07079	91.4
59.89307	7.3
67.05495	9.6
69.07070	16.8
69.57763	63.0
71.04987	14.9
71.08643	76.2
75.47293	8.8
81.07064	17.1
85.10199	39.7
89.06024	43.7
93.07027	11.8
97.10182	9.6
99.11681	9.7
105.07024	9.3
107.08629	9.7
109.10197	9.3
114.54140	8.2
119.08630	8.1
121.10155	11.0
125.05992	88.2
137.05966	8.6
141.05498	8.9
151.07539	36.1
153.05473	100.0
163.07562	12.1
165.09175	46.0
173.17252	9.1
174.16052	8.0
177.09122	20.8
179.10709	10.1
179.53867	7.0
191.10675	8.9
206.54523	8.2
237.15143	7.6
279.19534	14.0
335.25879	8.5
419.35309	66.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3004
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.4
55.01863	6.5
55.05261	1.7
55.05511	29.6
56.96553	1.9
57.03441	13.1
57.07063	3.5
63.09264	1.3
64.20471	1.6
65.03945	2.8
67.05502	80.4
69.03416	5.5
69.07074	29.1
70.14627	3.4
70.15025	3.4
71.05005	8.3
73.02918	2.0
79.05494	64.2
81.03420	53.0
81.07056	100.0
82.07404	1.9
83.04980	17.0
83.08622	35.8
83.71212	1.6
85.02909	30.1
85.06535	3.8
91.05484	62.1
93.07049	69.1
95.04967	36.2
95.08600	27.2
97.02887	4.7
97.06525	14.3
97.10155	4.4
97.71321	1.5
99.08084	2.5
105.04529	3.6
105.07031	29.0
107.04976	9.1
107.08605	34.1
109.06535	8.7
109.10143	4.5
111.04427	2.6
111.08088	13.8
113.06024	2.6
117.07002	12.3
119.08577	23.1
121.06538	4.7
121.10149	23.7
123.08072	5.5
123.11700	5.6
125.09671	2.1
129.06993	11.0
131.08566	20.6
133.06496	3.5
133.10133	19.6
135.08066	1.9
135.11697	7.1
137.09576	2.1
142.07822	3.0
145.10104	2.9
147.08107	3.5
147.11694	15.4
149.09642	7.5
149.13254	30.1
157.10100	10.9
159.11703	12.9
163.11122	1.8
165.12758	3.7
173.13289	2.8
175.11185	14.0
177.12781	7.6
189.11275	1.6
193.12262	59.1
193.14088	3.1
195.13826	8.3
209.53035	1.6
211.13298	62.2
226.06549	1.5
249.11653	1.6
267.09055	3.4
267.15930	6.5
269.17511	6.5
285.10208	4.2
341.25049	1.7
343.22568	2.7
361.23499	1.8
369.24417	5.6
387.25235	6.2
405.26572	1.8
443.28064	1.8
461.29010	7.9
479.30066	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08237	0.2
51.57050	0.3
52.09939	0.2
53.03940	0.8
53.39872	0.2
54.37474	0.2
55.01864	0.8
55.05504	0.3
57.03423	0.3
60.04517	0.4
61.02922	0.3
65.03950	0.3
67.05505	0.8
68.99786	0.3
69.03434	2.3
69.07077	0.5
71.04994	0.7
73.02908	0.3
79.05106	0.3
79.05484	1.6
79.24595	0.2
81.03418	2.9
81.07056	0.9
83.04974	0.6
84.08141	0.8
85.02911	3.1
85.06546	1.1
88.03978	0.8
91.05490	2.0
93.07056	1.8
95.04969	0.8
95.08608	0.7
97.02888	2.4
98.97582	0.4
99.04459	0.5
99.16152	0.2
102.09187	0.7
103.05464	0.3
105.07024	1.9
107.04982	0.6
107.08604	1.6
109.02880	2.3
109.06534	0.7
115.05463	0.2
117.07024	0.7
119.04946	0.9
119.08585	1.3
121.06553	1.3
121.10125	0.7
123.04398	0.4
123.08086	0.5
125.09619	0.3
126.03138	0.3
127.03919	100.0
128.04260	0.8
129.07005	0.7
131.04912	0.4
131.08568	4.1
133.06499	0.5
133.10136	0.4
135.08035	0.7
137.02245	0.4
137.05977	1.3
139.03798	0.3
143.08551	0.6
144.10190	1.5
145.04938	0.8
145.06448	0.4
145.10101	1.5
147.04407	4.0
147.08023	0.8
149.05966	0.7
149.09630	4.5
151.07521	0.6
153.01808	3.3
159.08057	0.5
161.03816	0.3
161.06012	0.7
161.09642	0.9
163.11189	1.1
165.09093	0.3
167.07072	0.4
173.09644	0.8
175.07607	0.4
177.59724	0.2
187.11331	0.3
189.09030	0.7
191.10655	2.0
203.10681	0.3
207.10153	0.6
209.07864	0.3
209.11745	1.1
213.07498	0.3
217.05136	0.3
228.04166	0.4
229.05025	0.9
239.10704	0.4
242.25497	0.3
243.11391	0.5
245.04561	0.3
246.05307	0.6
257.04416	1.0
257.11752	0.5
265.08829	0.4
273.03946	0.4
274.04721	1.2
275.12680	0.3
281.13950	0.4
285.03873	1.7
299.12854	0.7
302.04254	3.7
317.06573	28.5
317.14105	1.6
318.06937	0.6
335.14847	1.2
435.15305	0.6
461.14603	0.3
466.52853	0.4
479.15222	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	478.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	3.0
55.01871	2.5
55.05514	9.0
56.05033	5.0
56.05850	1.1
56.96568	2.2
57.03441	3.5
57.07089	1.8
58.03760	0.8
58.06590	1.2
59.05003	1.4
60.04529	89.8
61.02936	2.7
65.61312	0.9
67.05508	18.8
67.05865	1.1
68.05035	1.4
68.05850	1.1
69.03440	8.0
69.07069	9.5
70.06606	1.5
71.05022	1.8
71.08653	1.4
71.31337	1.0
71.31677	1.8
72.04527	4.7
73.02942	1.7
74.06091	5.1
79.05496	12.1
80.05028	0.9
80.05837	1.6
81.03422	8.6
81.07066	19.9
82.06613	1.9
82.07416	2.0
83.01347	1.3
83.04981	4.6
83.08627	7.1
84.04528	3.2
84.09000	1.0
85.02913	17.3
85.06565	1.2
86.06079	3.3
87.04499	1.1
90.05563	1.3
91.03980	1.7
91.05488	9.9
92.05807	1.3
92.90535	0.9
93.07060	11.6
94.06572	1.3
94.07428	2.6
95.04995	3.7
95.08614	12.3
95.92027	0.9
96.04485	1.0
96.05305	1.2
96.08175	0.9
96.08977	1.0
97.02903	8.6
97.06554	2.0
97.10184	3.0
98.06120	1.6
98.54186	0.9
99.04504	1.3
102.05565	4.6
104.07139	2.8
105.07045	5.9
107.08607	6.6
108.08930	1.2
109.02936	2.2
109.06532	1.8
109.10194	3.5
110.97581	1.1
111.08112	2.1
111.11925	1.0
112.07629	1.2
117.07068	2.0
118.07377	0.9
119.08574	4.2
121.06512	1.6
121.10169	4.1
123.08102	1.4
123.11719	1.2
124.07571	1.0
126.05547	1.0
127.03978	3.1
129.07112	1.1
131.08545	2.2
133.10121	4.6
134.10602	1.0
135.11771	4.0
136.12080	1.5
137.21112	0.8
145.05019	1.3
145.10170	2.7
146.10512	1.3
147.11723	1.4
149.09750	1.0
149.13318	3.2
155.08609	1.0
159.11778	1.3
163.11258	2.8
164.50616	1.1
175.11201	1.0
177.87761	0.9
180.67622	0.8
181.12311	0.9
189.00656	1.1
193.12224	1.6
195.13889	1.2
206.10349	2.7
211.13333	2.6
224.11363	6.5
232.58199	0.9
243.08928	1.1
250.25388	1.8
262.25449	2.2
267.09195	3.2
269.10696	2.5
280.26370	11.4
285.10184	5.0
298.27444	13.6
316.28473	100.0
317.28976	2.2
324.11624	1.4
340.28510	1.4
358.29715	3.7
386.24112	1.9
424.30911	1.4
442.32010	2.9
460.32797	5.4
478.28766	4.5
478.34091	37.2
478.40427	1.8
479.29724	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
54.23196	1.0
55.01874	3.1
55.05509	10.4
56.05033	5.2
56.96566	2.0
57.03434	3.8
57.07076	3.4
60.04526	80.2
61.02929	3.7
65.03920	1.3
67.05510	21.4
68.05849	1.3
69.03432	7.5
69.07072	10.3
69.93922	2.2
69.94327	2.8
70.06571	1.6
71.05001	2.1
72.04511	5.3
73.02912	2.8
74.06087	4.4
76.40993	1.0
79.05493	13.1
80.05020	1.1
80.05810	1.1
81.03416	10.2
81.07059	22.6
82.06570	1.7
82.07408	1.4
83.04978	3.6
83.08614	8.3
84.04514	3.5
85.02902	18.1
85.06552	1.6
86.06081	3.5
87.04473	1.5
90.05568	1.3
91.03978	2.0
91.05472	9.7
93.07037	15.3
94.06533	1.0
94.07391	1.2
95.04975	6.3
95.08599	12.2
96.08179	1.4
97.02898	7.6
97.06532	1.9
97.10194	4.3
97.10846	0.8
98.06033	1.3
98.36418	1.0
99.04494	1.4
101.02363	1.0
102.05541	3.3
103.03977	1.4
104.07127	1.4
105.07040	6.5
107.04956	2.2
107.08586	7.4
108.08939	1.4
109.02889	2.9
109.06549	2.1
109.10191	4.6
111.08080	2.8
111.11739	1.6
112.99167	1.2
117.07001	2.6
119.08566	4.7
121.06481	1.8
121.10184	4.5
123.11752	2.5
125.09645	1.3
129.07104	1.4
131.08583	4.0
133.10129	4.6
135.11708	3.6
144.06610	1.3
145.10170	1.7
147.08018	1.3
147.11736	1.8
149.13295	4.4
157.10152	2.1
159.11772	1.4
177.12805	1.6
178.73538	1.0
188.09198	1.7
193.12299	4.8
193.95822	0.9
195.13870	1.8
206.10323	2.7
211.13350	5.9
222.09877	1.0
224.11348	5.1
245.22731	1.1
250.25363	1.8
262.25394	1.4
267.09171	1.9
269.10516	1.2
269.17581	1.5
280.26318	9.4
285.10156	4.2
298.27454	12.3
316.28470	100.0
317.28717	1.3
322.28156	1.2
324.11517	1.9
358.29642	4.2
365.15500	1.8
386.24182	3.0
387.25635	1.3
393.55627	1.1
404.25018	1.4
404.86737	1.1
424.30936	1.2
442.32114	2.5
460.27383	1.4
460.33093	4.8
478.28903	3.1
478.33951	41.3
479.29819	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	478.293
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.40591	0.9
52.26485	1.1
55.05519	10.3
57.03436	3.9
57.07084	1.6
62.05772	1.8
62.06089	28.8
64.04609	1.0
67.05158	2.1
67.05506	32.2
69.07071	16.0
69.82330	2.8
69.82746	3.0
78.77713	0.9
79.05501	8.5
81.07061	31.4
83.08600	6.2
85.06543	1.0
91.05464	5.3
93.07043	9.2
95.08020	0.8
95.08608	21.0
97.06486	1.2
97.10167	3.2
98.06046	2.0
98.98466	9.8
105.07034	3.9
107.08596	3.7
109.06526	1.0
109.10153	8.5
119.08600	3.8
121.10143	4.6
123.11703	3.4
124.01588	1.5
130.93146	1.1
133.10147	3.8
135.11674	2.7
137.13217	2.1
142.02655	1.4
145.10114	1.1
147.11665	1.8
155.01047	5.0
161.13228	1.2
173.02080	1.8
198.05307	3.0
216.06325	2.8
224.43336	1.0
238.28065	1.3
245.22667	3.0
263.23749	6.9
306.24573	1.9
306.27887	16.7
319.26331	1.4
337.27374	100.0
338.27664	1.9
460.28210	4.5
478.29306	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
50.45018	0.4
53.03930	0.9
54.21946	0.4
55.01869	0.3
55.05516	12.4
57.03440	7.9
57.07074	1.8
62.06087	0.5
63.90694	0.3
65.03941	0.8
65.05173	0.4
67.05506	28.8
69.03419	0.5
69.07069	17.0
69.34261	3.2
71.04984	0.6
71.08617	0.6
79.05495	7.1
79.22173	0.3
81.07060	29.2
81.97483	0.4
83.04973	1.0
83.08624	8.5
85.06534	0.7
85.10188	0.5
90.69048	0.3
91.05473	5.1
93.07048	7.3
95.08611	21.0
97.06532	1.8
97.10169	4.1
98.98439	0.6
99.08067	0.5
105.07034	3.8
107.08601	4.1
109.10162	7.7
111.08092	1.0
119.08583	2.8
121.10173	2.6
123.08012	0.6
123.11715	3.3
133.10132	2.6
135.11688	1.7
137.09671	0.5
137.13248	0.8
147.11688	1.8
149.13332	0.5
151.14908	0.5
161.13289	1.4
161.60652	0.4
163.14743	0.9
175.14865	0.9
198.05443	0.6
216.06436	0.4
233.38744	0.4
245.22701	0.8
263.23706	1.5
306.27847	2.5
322.94183	0.4
337.27374	100.0
338.27628	2.8
360.96115	0.4
439.62054	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93935	0.8
65.69846	0.8
67.05523	1.2
69.03459	1.3
69.07059	1.0
69.35703	7.1
71.05018	1.2
79.62580	0.8
81.03415	1.6
81.07051	1.5
85.02906	2.3
86.09717	1.1
91.05480	1.8
93.07060	1.8
94.06582	1.4
95.04980	1.2
95.07388	1.0
95.08598	1.5
96.08140	3.0
97.02918	1.2
97.06484	1.0
98.97548	1.0
105.07048	1.0
107.08560	1.1
108.08112	0.9
109.02895	1.1
109.06521	1.0
110.09706	3.6
119.08596	1.0
120.08113	3.4
124.11271	0.9
127.03938	2.4
131.04918	1.6
135.72499	0.8
138.09128	4.8
138.67863	0.9
144.08092	1.2
147.04449	3.4
149.09604	1.0
153.01811	2.0
154.08641	1.0
166.08682	3.4
172.07581	1.1
174.09175	1.9
208.11259	1.0
216.40773	0.9
221.10851	2.2
222.11566	1.8
223.12309	5.2
233.10873	4.1
236.13118	1.4
237.10304	2.9
237.13835	7.8
247.12396	1.5
248.13210	1.2
249.10339	3.6
250.11035	11.0
251.11757	7.0
253.13387	3.5
264.12790	1.2
265.13397	33.9
266.14117	3.6
267.11282	2.4
269.12662	0.8
275.11560	0.9
277.09808	1.2
278.10455	1.0
281.12970	1.7
281.17438	1.7
282.10233	2.0
282.13736	2.3
293.12842	11.2
295.10745	5.3
297.12469	2.8
297.16068	4.6
309.12308	2.8
310.13126	30.6
313.15622	3.7
325.15482	48.2
377.83124	0.9
445.38269	0.9
446.20856	1.3
450.24033	2.2
478.23434	100.0
479.15265	1.5
479.23569	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	478.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32001	0.9
53.03944	1.7
55.05493	1.3
65.03936	2.8
67.05495	1.5
69.03422	2.6
70.06609	0.9
79.05487	6.0
81.03414	4.5
81.05804	1.2
81.07048	1.2
81.38486	0.8
82.06587	1.0
84.08138	0.9
85.02901	2.3
91.05482	8.6
92.04996	6.3
94.06612	1.4
95.04962	1.3
96.08127	9.5
97.02893	0.9
106.06561	41.1
107.04953	1.8
108.08118	13.2
109.02879	1.5
109.05286	1.1
119.04948	20.9
122.06059	1.3
123.06808	4.2
124.07600	24.6
124.11237	1.9
127.03914	1.6
134.03854	0.9
134.06024	24.7
136.07568	2.4
138.12787	1.0
147.04416	100.0
148.04846	1.2
152.07074	66.2
160.07491	0.9
165.05496	1.8
170.08133	46.8
191.03395	6.4
243.06647	2.5
252.10318	3.3
271.05930	1.6
280.09778	2.7
286.10782	2.0
291.08640	3.4
298.10916	1.7
309.09845	2.1
314.12506	1.7
332.13461	9.1
376.10199	2.2
418.15140	3.3
442.15558	0.9
460.16003	20.7
478.17145	44.6
479.17029	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2334
Annotation	Notoamide G
Peak:m/z	Relative Intensity
55.55556	0.6
63.09039	0.7
68.05853	0.8
69.66734	4.7
70.22443	0.8
85.02927	1.3
88.08855	0.7
91.05451	1.2
93.07029	0.8
93.32345	0.8
96.08136	2.0
98.21452	1.6
103.05483	0.8
105.07092	0.7
108.08125	1.6
110.09666	4.4
110.53215	0.8
120.08084	3.7
124.11161	1.0
127.03913	1.3
127.11156	0.7
138.09135	4.4
144.08093	1.4
148.07573	1.0
153.01819	1.6
166.08650	4.1
172.07582	1.0
174.09187	1.5
208.11281	0.9
221.10669	1.3
222.11606	2.2
223.12257	6.6
224.10788	0.8
225.10344	1.8
225.13876	1.3
233.10742	4.8
235.12241	0.9
236.10802	1.3
236.13010	1.8
237.10252	2.8
237.13870	10.3
238.14645	0.8
239.11752	1.3
247.12354	2.5
248.13129	0.9
249.08112	0.8
249.10123	3.6
250.11000	12.1
251.11803	8.5
253.13443	4.0
264.09946	0.8
264.12634	1.4
265.13379	36.6
266.14059	2.7
267.11166	3.6
277.09668	1.1
278.10489	2.2
281.13019	1.6
282.10226	3.6
282.13712	2.9
293.12878	12.2
295.10837	5.9
297.12494	1.9
297.16052	5.4
309.12314	1.4
310.13126	29.4
311.13202	0.8
312.85489	0.8
313.15408	4.6
325.15469	50.2
326.16019	2.1
343.16925	0.8
446.20779	1.1
450.23877	2.2
478.23431	100.0
479.16959	0.8
479.23761	3.4
497.82944	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.334
Annotation	Unknow
Peak:m/z	Relative Intensity
66.16913	0.7
69.70003	3.8
73.75022	0.6
81.07048	1.5
85.56857	0.6
93.07047	0.7
95.08586	1.3
98.21461	1.4
107.08605	0.9
131.80701	0.7
158.19070	0.6
161.59720	0.7
192.59502	0.7
240.64728	0.8
477.33432	100.0
478.33673	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	477.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.4
55.05512	28.3
56.96560	9.1
57.03430	6.7
61.02906	4.5
65.03953	4.1
67.05502	48.0
69.03420	10.8
69.07080	25.4
69.59454	5.5
69.59849	19.7
71.05004	5.8
73.02941	3.1
79.05109	3.9
79.05504	41.0
81.03410	12.9
81.07053	66.2
83.04979	17.7
83.08619	14.9
85.02901	6.9
91.03920	4.5
91.05473	32.4
93.07046	57.9
95.04959	12.9
95.08615	50.9
97.02882	6.3
97.06535	10.6
97.10136	7.6
98.21513	5.5
98.97567	3.5
99.04402	4.1
105.07037	33.7
107.04948	7.9
107.08597	49.0
109.02897	3.7
109.06514	5.5
109.10129	20.5
111.08105	10.8
113.59584	3.6
117.07014	10.5
119.08573	40.7
121.06499	11.5
121.10143	62.4
123.08098	5.5
123.11737	8.2
125.09650	16.1
127.39664	3.2
129.07016	5.3
131.08542	14.0
131.09401	3.3
133.06503	4.8
133.10147	30.4
135.08047	5.8
135.11685	23.0
137.09576	4.7
137.13232	3.4
139.07529	12.5
139.11156	5.1
143.08574	8.8
145.10069	24.4
147.11720	14.5
149.09610	5.3
149.13237	13.6
151.15894	3.2
153.02130	4.4
153.12805	6.0
155.08557	4.4
157.10112	11.8
157.27478	3.5
159.11696	25.1
161.09552	4.1
161.13255	10.9
163.11188	9.9
163.14796	4.3
165.75363	3.5
167.10684	8.7
167.68187	3.2
169.10144	4.0
171.11710	7.9
171.57648	3.0
173.13300	10.4
175.14842	4.8
177.12694	7.4
179.14281	3.5
181.12244	4.4
183.11676	6.1
185.13254	8.1
187.14836	9.5
189.16335	5.9
191.18196	5.1
195.13872	13.3
199.14810	6.9
201.16371	23.3
203.17969	24.6
209.11749	4.3
211.14845	5.5
213.16382	10.3
215.17860	4.3
217.15872	4.6
223.13329	5.6
225.16397	4.0
227.12708	6.5
227.17941	7.6
229.37155	4.2
233.15410	23.0
251.16310	17.1
253.19412	4.1
266.71384	3.7
267.09082	5.0
269.22635	19.5
281.10391	3.5
283.20865	3.4
323.10596	7.1
331.15610	5.2
347.15265	5.1
349.16412	8.2
355.11209	4.0
356.14746	5.6
365.15649	8.0
367.22574	7.8
385.23636	6.3
404.11362	3.9
423.32581	33.4
441.33624	100.0
442.33838	5.6
459.27264	6.2
459.34479	6.4
477.28668	41.8
477.35245	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	16.5
55.05263	3.7
55.05512	69.8
57.03424	12.4
58.26900	3.2
67.05505	68.1
69.03429	8.4
69.07063	19.4
71.04965	5.5
73.86753	3.3
79.05054	4.6
79.05496	69.4
81.03032	5.4
81.03426	47.2
81.07059	51.1
81.22224	3.7
82.84274	3.8
83.04974	11.3
83.08624	31.0
85.02914	4.7
91.05481	54.3
93.07043	38.4
95.04972	31.2
95.08602	36.8
97.06494	7.4
97.10172	55.1
98.21504	8.1
101.31789	3.3
105.07026	41.5
107.04959	44.7
107.08604	35.2
109.06509	14.6
109.10170	18.1
111.08067	13.7
113.06034	4.0
115.05447	4.1
117.06996	16.9
119.08587	28.8
121.06518	37.9
121.10120	13.4
123.08056	8.7
123.11697	3.6
125.09619	42.1
128.62122	3.8
129.07005	22.3
131.04926	8.9
131.08566	28.5
133.06471	16.5
133.10085	14.4
135.04518	3.5
135.08002	18.4
135.11688	9.7
137.09509	3.8
141.06989	7.2
143.08548	14.7
145.06470	26.1
145.10123	14.0
145.36221	4.2
147.04393	6.8
147.08022	12.2
147.11662	14.9
149.09590	9.9
153.09108	12.2
155.08598	6.8
157.10114	16.5
159.08044	12.6
161.09625	11.0
163.11147	6.0
165.12752	4.8
171.08015	6.2
171.10239	5.6
171.11691	10.3
173.09547	4.7
175.11246	9.8
181.12137	4.1
187.11211	8.4
187.14908	4.7
189.11250	21.1
189.12651	5.5
193.12233	34.8
195.11656	5.9
197.13304	6.5
201.12721	4.4
205.12354	4.3
211.13271	3.7
213.12794	3.7
215.14397	7.5
217.12225	4.7
225.12801	5.0
227.12613	19.1
233.15440	21.8
241.14212	6.9
245.15326	5.3
249.14964	5.8
255.13832	6.9
257.15219	4.1
267.15945	19.0
269.11407	3.9
273.14807	16.0
289.17935	4.4
291.15732	4.4
339.23221	9.4
341.20972	6.1
349.21658	18.7
357.24124	14.3
367.22714	46.5
385.23743	92.1
403.24820	38.1
433.25882	16.2
441.26334	9.2
459.21149	6.1
459.27399	100.0
477.28619	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.8
55.01872	19.7
55.05515	78.4
57.03449	18.7
59.05005	4.6
65.03954	6.4
67.05162	5.8
67.05510	88.3
69.03436	11.2
69.07073	21.4
71.04993	10.6
73.41101	3.5
79.05048	5.5
79.05500	94.5
81.02966	6.3
81.03424	88.7
81.07060	84.9
83.04984	24.6
83.08625	46.8
85.02911	14.0
85.06550	6.8
85.13487	3.4
91.05486	81.9
91.78619	2.9
93.07055	46.5
95.04972	47.0
95.08616	38.6
97.02892	4.4
97.06536	10.6
97.10175	49.3
98.20685	6.4
105.07043	64.2
107.04962	44.7
107.08604	40.6
109.02873	4.1
109.06520	13.7
109.10183	23.9
111.08076	11.6
115.05453	4.7
117.07040	19.8
119.08593	39.1
121.06512	28.6
121.10173	17.4
123.04446	7.4
123.08084	13.3
123.11729	9.0
125.09631	40.6
128.06235	7.3
129.07005	31.6
131.04935	7.5
131.08571	38.8
133.06506	13.5
133.10152	24.8
135.08075	14.5
135.11711	6.4
137.09624	9.4
141.07019	7.0
142.07710	4.7
143.08556	13.0
145.06476	19.8
145.10150	19.9
147.04416	6.3
147.08054	13.8
147.11693	29.6
149.09636	14.3
149.13318	5.1
151.07564	14.6
151.11177	4.5
153.07059	4.5
153.09126	10.8
153.12804	4.0
155.08623	6.1
157.06496	6.7
157.10149	24.1
159.08061	7.0
159.11731	8.0
161.06075	3.5
161.09650	9.2
163.11201	9.4
165.09149	3.8
165.12807	5.2
167.08600	4.7
169.10173	8.6
171.08046	6.3
171.11682	9.6
173.09634	9.2
175.11229	22.5
177.12761	3.8
181.10162	4.8
185.09645	4.3
185.13129	5.3
187.11282	4.0
187.14854	6.7
189.09641	4.5
189.11220	21.2
189.12743	7.0
191.10675	5.3
193.12257	64.4
195.11824	3.6
197.13318	8.0
199.11307	6.8
205.12309	4.3
205.15825	3.9
209.13356	3.4
211.13266	32.3
213.12625	3.8
215.14357	5.1
227.12840	12.5
231.13773	4.6
233.15433	19.2
235.13304	4.3
241.14330	5.4
245.15590	5.3
249.14952	6.7
255.13918	6.8
259.13474	4.4
259.16751	3.0
267.09103	4.3
267.15909	19.9
273.14938	21.6
291.15930	4.9
295.10693	4.0
296.11630	3.6
299.11719	4.6
339.23251	13.7
349.21600	23.1
357.24283	15.3
367.22708	63.9
368.23251	4.6
385.23767	90.8
386.23508	3.9
403.24683	26.8
432.31747	3.3
433.26273	6.8
441.26132	7.5
449.19128	7.9
459.27478	94.4
477.18488	5.1
477.28604	100.0
478.28299	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	476.2774
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01863	0.5
55.05515	7.3
57.03440	6.5
57.07062	0.9
65.03940	1.1
67.00946	0.4
67.05505	29.8
69.03426	0.4
69.07071	7.4
70.72376	0.7
70.72710	0.5
73.10345	0.4
79.05049	0.9
79.05494	15.1
80.05796	0.8
81.07058	24.0
82.07325	0.5
83.04964	0.7
83.08623	2.5
91.05481	7.3
93.07047	15.9
95.04962	1.2
95.08607	18.6
97.06550	0.6
97.10155	1.0
98.36494	0.4
98.98516	0.8
105.07035	4.0
107.08600	6.1
107.11715	0.4
109.06522	0.6
109.10152	7.1
117.07030	1.0
119.08587	3.1
121.10143	5.4
123.11723	2.2
131.08530	2.1
133.10139	1.9
135.11693	2.7
145.10135	1.0
147.11690	1.9
149.13231	1.4
159.11667	1.1
161.13246	0.9
163.14752	0.7
173.13223	0.6
261.22409	0.9
303.95013	0.4
304.26361	1.7
335.25797	100.0
336.26129	1.5
476.30518	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74793	1.0
53.03944	1.6
55.05508	10.4
57.03431	5.2
62.06094	36.7
67.05164	2.3
67.05506	31.7
69.07076	9.7
71.04977	1.6
79.05054	1.6
79.05495	21.8
81.07059	26.6
83.08624	2.9
91.05491	11.0
93.07045	23.9
95.04958	1.8
95.08609	19.7
97.06534	1.5
98.06025	2.2
98.21509	2.2
98.98466	10.7
99.03055	1.1
105.07036	7.9
107.07944	1.4
107.08596	12.0
109.10189	7.6
117.06988	1.3
119.08571	6.6
121.10145	8.3
123.08019	1.5
123.11716	2.1
124.01578	2.7
131.08568	4.0
133.10109	5.2
135.11659	6.5
142.02631	2.2
145.10127	2.0
147.11690	3.3
149.13278	3.0
155.01041	3.4
159.11661	2.5
161.13263	3.0
163.14876	2.0
173.02127	2.6
173.13203	1.1
175.14803	1.9
198.05290	2.1
209.17944	1.1
216.06314	4.0
229.44194	1.3
236.14162	1.5
240.79893	1.1
243.21136	2.7
261.22128	7.9
304.26382	12.0
317.24658	1.8
322.74890	1.2
335.25797	100.0
336.26044	1.8
415.22641	1.5
458.26477	3.3
476.27682	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	476.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41064	5.6
67.05493	19.4
67.76071	7.4
69.07056	21.3
71.62024	10.4
73.47485	6.5
79.05476	9.8
81.07051	29.1
83.08630	7.0
88.13474	7.0
93.07029	14.0
95.08585	19.9
103.33363	6.5
105.07033	7.3
107.08598	24.2
109.10122	17.6
119.08620	13.6
121.10124	15.4
127.95433	6.4
133.10135	13.8
135.11687	11.7
145.10083	11.8
147.11679	12.7
149.13271	13.4
153.12769	24.9
157.09995	9.1
159.11723	15.3
161.13223	7.4
163.14790	10.8
171.11713	9.7
175.14784	9.7
177.16393	20.1
195.17531	7.6
243.17473	9.2
247.16852	11.1
261.18527	21.9
299.19843	19.3
380.67194	7.8
405.31519	11.8
423.32568	20.9
441.33578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.21
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01859	1.4
55.05511	6.7
56.96551	0.3
57.03412	1.5
57.07072	0.6
59.04993	0.4
61.83847	0.3
61.86153	0.3
65.03927	0.7
67.05505	6.8
69.03436	1.9
69.07064	2.5
71.04968	1.2
71.61073	0.4
71.61510	0.4
79.05497	8.2
79.07902	0.3
81.03046	0.4
81.03416	4.0
81.07059	7.0
83.04955	0.7
83.08622	4.2
85.02882	1.4
85.06534	0.7
87.04492	0.3
91.04956	0.4
91.05482	6.4
93.07038	5.4
94.06580	0.4
95.04437	0.3
95.04964	4.1
95.08621	3.4
95.84937	0.4
96.08128	0.3
97.02862	0.7
97.06499	1.3
97.09602	0.5
97.10170	5.8
99.04434	0.6
99.08111	0.5
103.05384	0.4
105.07036	5.2
107.04939	4.0
107.08602	4.7
109.02869	1.0
109.06491	1.8
109.10175	2.5
111.04455	0.6
111.08050	0.6
113.05979	0.6
114.99715	0.4
115.05415	0.7
117.07026	2.5
119.04964	1.7
119.08588	3.3
121.06513	4.7
121.10149	2.4
123.04408	0.4
123.08026	1.0
123.11687	0.8
125.05965	0.4
125.09621	3.9
127.03848	0.8
128.06194	0.5
129.07018	2.6
131.04929	1.2
131.08562	2.7
133.06477	2.3
133.10143	2.5
135.04410	0.4
135.08067	2.1
135.11682	0.6
137.05933	0.9
137.09633	0.7
141.06941	0.7
142.07777	0.5
143.08533	1.0
145.06474	2.8
145.10106	2.0
147.04407	4.8
147.08025	1.4
147.11647	2.0
149.09624	2.0
149.13246	0.5
151.07472	0.6
151.11133	0.3
153.01776	1.4
153.09036	0.9
155.08559	0.6
157.06508	0.4
157.10133	1.7
159.08005	1.4
159.11671	0.8
161.05862	0.7
161.09561	1.4
163.11105	0.9
165.09077	0.9
167.07002	0.5
167.08533	0.5
169.10071	0.9
171.02722	0.4
171.08008	0.7
171.10201	0.4
171.11650	1.0
173.09650	0.8
173.13313	0.4
175.11133	1.6
177.12628	0.5
183.11470	0.5
185.13127	0.6
187.11150	0.9
187.14752	0.5
189.09140	0.6
189.11157	2.5
189.12709	0.7
191.14337	0.4
193.12216	3.1
195.08055	0.4
195.11642	0.5
197.13258	0.5
199.11168	0.7
199.14828	0.4
205.12175	0.6
211.11137	0.4
211.13155	0.6
212.84734	0.3
213.12680	0.6
215.14258	1.3
219.13660	0.4
227.12753	1.6
227.14597	0.4
231.13838	0.6
233.15421	2.2
237.12567	0.6
239.14273	0.5
241.11974	0.5
249.14861	0.4
255.13797	0.5
259.13293	0.5
263.16235	0.4
267.15811	1.3
267.72144	0.4
273.14761	2.5
287.16257	0.5
300.06253	0.9
315.05054	0.7
315.08554	1.4
315.11890	0.5
339.23172	0.8
341.21112	0.4
345.06128	0.7
345.91931	0.4
347.00089	0.4
349.21582	2.1
357.24084	1.1
367.22659	5.6
385.23721	8.8
403.24738	3.2
415.24857	0.4
433.25659	0.6
441.26022	0.9
459.21191	0.6
459.27332	10.4
477.20700	100.0
478.21118	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.05508	3.2
57.03440	0.8
57.07080	0.7
57.38048	0.5
58.39325	0.6
62.06908	0.6
62.66858	0.8
65.30222	0.5
67.05503	7.5
69.03432	1.5
69.07057	2.7
70.41420	2.2
71.04989	0.6
79.05495	3.0
81.03407	1.6
81.07060	8.5
83.04973	1.9
83.08621	1.7
84.94452	0.5
85.02901	1.7
88.15993	0.6
91.05482	3.5
93.07034	4.6
95.04944	1.5
95.08609	7.4
97.02898	1.0
97.10159	1.3
98.12479	0.5
99.04430	0.7
101.06022	0.7
105.07028	3.4
107.04938	1.5
107.08598	4.4
109.02874	1.1
109.06519	0.9
109.10155	8.3
111.04402	0.7
111.08098	0.9
117.06989	1.6
119.08569	5.6
121.06480	1.1
121.10137	2.4
122.07278	2.3
123.08062	1.2
123.11681	1.9
125.09584	1.9
129.07013	1.3
131.04808	0.6
131.08565	2.0
133.10118	2.2
135.08051	1.2
135.11713	1.7
137.09625	12.2
137.13203	0.7
139.07524	0.8
143.08569	0.8
145.10114	2.1
147.04398	0.8
147.08081	1.7
147.11688	1.6
149.02353	1.1
149.09602	2.9
149.13187	1.2
151.07562	1.7
151.14783	0.7
153.05469	0.6
153.09070	0.6
157.10124	1.0
159.11693	1.3
161.05960	1.0
161.09624	1.4
161.13242	1.4
163.07506	0.8
163.11171	2.4
165.09116	100.0
166.09389	0.8
171.11684	0.9
173.09636	0.8
175.07570	0.7
177.09122	1.7
177.16476	0.6
179.10629	0.7
187.11165	1.3
191.10663	1.0
203.10680	1.0
203.14270	0.6
205.12251	7.1
225.05521	1.0
227.12759	1.0
254.05635	0.7
267.06534	1.2
271.05933	0.9
281.04559	2.2
289.14355	1.1
295.06049	1.2
295.09271	0.8
313.07080	3.8
313.10489	1.0
323.05585	0.9
323.25797	1.6
335.93628	0.6
365.20932	0.8
383.22174	2.4
390.40451	0.7
429.33759	1.0
439.32184	1.0
457.25467	1.4
457.33713	1.3
461.08893	0.7
475.26862	4.5
475.34119	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	475.3421
Annotation	Stoloniferone S
Peak:m/z	Relative Intensity
53.03932	14.4
55.05498	22.5
59.84122	12.5
67.05487	57.2
69.07048	36.2
69.40216	100.0
71.45448	10.3
79.05512	51.3
81.03415	18.3
81.07060	80.7
83.05003	13.2
83.08608	14.7
91.05482	61.1
93.07056	60.6
95.04955	21.6
95.08590	76.5
97.58372	12.1
102.07535	9.8
105.07022	56.9
107.04925	15.9
107.08615	70.4
109.06532	11.2
109.10201	26.2
114.31849	11.0
117.07032	15.7
119.08607	61.1
121.10117	29.6
123.08012	16.1
129.07002	24.7
131.08575	24.8
133.10130	43.7
135.11697	24.5
143.08469	15.9
145.10098	39.9
147.11685	40.7
149.13242	30.6
155.08542	15.1
157.10048	13.7
159.11702	28.5
161.13258	20.5
163.11197	11.3
171.11610	19.1
175.14816	14.7
187.14816	21.6
189.16411	16.0
191.17902	12.6
205.15919	14.9
299.01337	12.6
318.52594	10.3
439.32053	26.1
457.33182	28.3
475.34695	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	475.3783
Annotation	Chichipegenin
Peak:m/z	Relative Intensity
50.50915	1.9
53.03944	3.4
55.05510	12.9
56.96558	8.6
57.07066	3.7
58.88974	1.9
59.04981	2.5
67.05502	17.1
69.07076	21.1
69.69010	4.1
69.69431	9.6
71.04946	2.0
79.05484	20.9
80.09002	2.2
81.06627	3.2
81.07059	32.9
83.04990	2.2
83.08620	6.8
85.06536	2.3
90.82146	2.0
91.05480	18.6
93.07040	38.0
95.04969	3.5
95.08608	52.0
95.09216	2.6
97.06535	6.0
97.10159	5.0
105.07038	29.4
107.08593	56.1
107.09279	4.0
109.06528	7.0
109.10159	27.9
111.08106	2.1
113.09641	4.2
113.82744	1.9
117.07036	4.7
119.08585	42.5
121.06509	4.8
121.10145	34.6
123.08083	3.4
123.11694	9.2
125.09657	5.6
129.07040	2.4
131.08594	13.2
133.10133	27.1
135.08049	2.6
135.11708	31.5
137.09567	3.1
139.11160	11.5
142.07796	2.3
143.08566	8.3
145.10124	19.4
146.22229	2.5
147.08089	2.4
147.11682	22.7
149.09651	2.4
149.13278	10.7
151.11124	2.7
153.12778	5.0
153.46715	2.0
157.10101	11.8
159.11703	19.8
161.09630	3.2
161.13252	14.0
163.14824	13.2
165.12766	36.9
171.11699	9.1
173.13258	10.0
175.11150	2.8
175.14825	14.1
177.12886	2.1
177.16408	53.1
179.14305	6.0
181.15836	6.7
183.13799	3.3
185.13264	8.0
186.14130	2.3
187.14812	13.8
189.16388	7.9
191.14304	3.1
191.17934	5.9
193.15883	5.7
197.13263	2.6
199.14973	5.4
201.16383	25.9
203.17966	25.7
205.16013	2.4
209.15388	4.0
211.14912	3.1
211.16977	6.3
213.16449	11.3
215.17953	6.7
219.17441	11.4
223.14444	2.2
225.16402	3.5
227.17978	11.5
229.19557	4.3
231.17424	12.0
237.18510	6.5
239.02328	3.4
240.10526	2.2
241.19478	3.3
249.18504	67.8
277.21677	9.1
283.24207	9.2
313.72433	2.2
367.58704	2.2
391.33621	3.8
403.33682	4.2
409.34622	25.8
418.92215	2.1
421.34525	6.8
427.35892	5.7
439.35785	100.0
440.35944	3.5
445.36627	5.8
457.31601	4.0
457.36719	8.2
475.32370	3.2
475.37842	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	475.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.5
52.51218	1.1
53.03942	10.0
53.05618	1.2
55.01857	5.0
55.05257	1.8
55.05509	26.0
57.03424	4.3
57.07068	1.7
65.03931	5.0
67.05504	89.7
69.03415	2.4
69.06715	1.6
69.07066	25.5
71.04980	5.3
71.62099	1.2
73.06548	1.7
74.16089	1.0
77.03920	2.4
79.05492	87.8
81.03418	12.5
81.07056	99.4
83.04977	19.3
83.08621	17.4
85.02893	1.2
85.06528	5.7
91.05479	66.7
93.07043	100.0
95.04967	22.8
95.08604	36.9
97.02864	1.2
97.06540	14.2
97.10157	4.6
99.08070	3.2
103.05463	2.1
105.04492	3.8
105.07030	43.3
107.04955	8.2
107.08595	44.8
109.06546	6.9
109.10142	7.3
111.08105	7.6
115.05458	1.8
117.06998	12.6
119.07773	2.2
119.08575	26.3
120.73342	1.0
121.05638	1.5
121.06496	4.8
121.10145	21.4
123.08069	6.8
123.11707	3.4
125.09595	1.7
127.07478	2.2
128.06215	3.0
129.06999	14.5
131.08571	11.3
133.06505	1.5
133.10136	18.6
135.08014	2.2
135.11676	10.0
137.09680	1.5
141.06992	1.5
141.09097	1.2
143.08549	8.4
145.10094	11.4
147.08067	2.7
147.11681	33.2
148.12042	1.6
149.13254	27.4
152.07585	1.1
159.11678	14.1
161.09665	5.4
161.13251	15.1
163.11157	2.6
169.10101	1.5
171.11684	28.3
173.13275	1.5
177.12791	6.9
177.14120	1.6
179.14281	1.4
183.11728	1.3
187.14900	1.6
189.12758	11.6
189.16457	2.1
195.13728	6.6
201.12700	1.4
203.17960	1.3
207.13812	31.9
225.14859	3.9
269.17389	2.0
281.17410	2.1
363.14047	1.3
411.32590	2.1
421.31073	2.0
439.31866	2.5
457.33228	4.1
475.30505	62.9
476.31085	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	475.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	10.3
55.01853	3.8
55.05254	1.8
55.05507	23.7
57.03421	7.1
57.07062	3.4
65.03920	4.2
67.05505	89.7
67.31886	1.6
69.03415	1.8
69.06716	1.7
69.07067	28.3
70.24335	1.6
70.65164	3.6
70.65495	1.8
71.04971	5.3
79.05493	89.4
81.03419	10.2
81.07057	97.6
83.04980	14.3
83.08609	15.1
85.06531	5.8
91.05483	73.1
91.06069	2.5
93.07043	100.0
95.04971	25.3
95.08608	39.9
97.02868	1.6
97.06531	11.7
97.10162	4.8
98.21333	1.6
99.08096	3.6
103.05456	1.7
105.04501	3.3
105.07032	43.7
107.04935	6.4
107.08598	43.7
109.06520	9.0
109.10150	8.1
111.08105	5.7
113.06029	1.7
115.05460	1.5
117.07023	13.9
119.08586	24.5
121.06529	3.9
121.10138	22.1
123.08040	7.1
123.11684	2.4
127.07546	2.7
128.06213	1.7
129.07031	11.1
131.08585	10.6
133.10133	20.0
135.08018	2.9
135.11659	11.0
137.09549	1.6
139.11171	2.7
140.13759	1.4
143.08530	9.2
145.10120	11.5
147.08046	3.9
147.11691	36.7
149.13246	25.9
153.26208	1.7
159.11710	11.4
161.09604	4.3
161.13234	12.9
163.11131	1.7
163.14726	1.6
171.11694	30.3
173.13322	2.2
177.12679	5.4
179.14264	2.1
189.12784	11.8
195.13794	8.7
207.13823	28.3
225.14795	2.1
335.25745	6.3
411.32480	1.9
439.31970	4.0
457.33340	8.1
475.30466	61.5
476.30994	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01878	9.2
55.05260	2.8
55.05514	37.2
57.03442	8.6
57.07074	2.1
65.03928	3.3
67.05505	39.0
69.03423	6.3
69.07067	13.6
71.04987	4.0
71.34947	3.8
79.05051	2.6
79.05498	40.0
81.03423	18.6
81.07059	39.8
81.07512	3.2
83.04974	6.1
83.08617	15.2
85.02925	2.1
85.06532	2.7
91.05482	25.0
93.07051	27.0
95.04969	15.1
95.08607	22.1
97.06539	4.2
97.10177	17.3
105.07030	23.6
107.04950	13.4
107.08599	20.7
109.02882	10.0
109.06535	6.6
109.10169	16.9
109.81339	1.8
111.04430	2.5
111.08099	4.4
115.05473	5.3
117.07035	15.2
119.04952	5.3
119.08591	16.8
121.02888	2.6
121.06511	13.5
121.10136	8.9
123.04459	3.9
123.08055	8.5
123.11724	2.6
125.02369	7.0
125.09635	11.4
128.06258	4.1
129.07010	13.8
131.04933	9.7
131.08595	16.7
133.06483	11.0
133.10130	8.9
135.04428	5.7
135.08092	6.7
135.11729	5.4
137.06013	4.3
137.09689	2.5
141.06993	5.7
143.08578	10.9
145.06480	14.2
145.10103	17.4
147.04453	5.9
147.08038	10.8
147.11679	7.1
149.05933	3.9
149.09653	5.2
149.13254	2.2
151.07536	2.4
153.09058	2.0
153.12840	1.7
154.07793	2.5
155.08662	8.4
157.06509	5.0
157.10162	7.7
159.04451	2.1
159.08032	9.7
159.11723	5.5
160.05164	2.9
161.05981	32.5
161.07240	3.1
161.09630	5.8
163.11191	8.9
163.14838	2.0
165.07025	2.1
165.09113	9.7
167.08583	4.9
169.06523	2.1
169.10152	5.5
171.08121	7.0
171.11723	4.4
173.06029	7.6
173.09619	11.1
173.11826	3.2
173.13258	3.6
175.07545	5.5
175.11183	5.4
175.14915	3.0
177.05408	2.2
177.16281	1.6
181.06482	3.7
181.10060	1.9
183.08130	4.4
183.11742	4.7
185.05960	2.3
185.09642	3.2
185.13287	4.1
187.07581	3.5
189.09172	5.1
189.11269	7.4
191.10681	4.8
193.10229	3.4
193.12262	6.3
195.08081	2.4
197.09723	3.5
197.13327	3.9
199.11276	2.0
199.14854	2.0
201.12733	2.0
203.14319	5.1
205.12270	4.4
207.11617	2.2
211.11246	4.8
213.12759	5.3
217.15923	2.7
225.12761	3.6
225.16457	2.0
229.12193	3.5
231.13864	5.8
235.14903	1.8
239.10597	2.8
243.13931	7.2
264.97559	1.6
269.15430	7.2
271.13348	6.8
273.14932	6.8
287.16486	4.3
289.14352	18.8
299.16730	2.5
299.60263	2.0
303.15961	4.3
313.07547	1.7
313.18292	2.0
337.21674	4.2
347.20026	2.2
355.22693	9.3
365.21051	20.2
365.24670	2.0
383.22195	100.0
384.22806	2.2
393.24365	2.7
401.23270	38.7
403.22534	2.3
419.24338	6.6
421.23862	5.9
431.24332	6.3
439.24808	10.3
457.25934	68.5
457.32675	4.6
475.27048	98.3
475.34155	16.0
476.27185	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2155
Annotation	SILDENAFIL
Peak:m/z	Relative Intensity
50.70830	0.5
57.26735	0.4
71.61233	1.0
85.02892	1.1
86.30608	0.4
91.05500	0.6
109.02891	0.7
124.91462	0.5
127.03910	1.5
127.11172	0.5
153.01892	1.1
155.83636	0.5
184.13319	0.7
207.13736	0.7
237.19397	0.5
237.35663	0.5
242.75188	0.5
329.15738	7.7
475.21512	100.0
476.21851	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24036	0.5
50.40054	0.4
55.01866	0.7
55.05516	3.2
55.12959	0.5
57.03424	1.1
59.35226	0.5
60.19169	0.5
67.05508	5.0
69.03409	1.1
69.07054	1.9
70.36172	0.5
71.04998	0.6
79.05496	4.1
81.03421	2.7
81.07059	5.3
83.04968	1.1
83.08595	2.1
85.02913	0.7
91.05482	2.9
93.07043	3.3
95.04957	2.2
95.08610	3.1
97.02829	0.6
97.06518	0.4
97.10152	2.2
99.56910	0.5
105.07017	4.2
107.04945	1.8
107.08595	3.3
109.02855	1.1
109.06538	0.6
109.10147	1.2
115.05485	0.6
117.07011	1.5
119.01942	0.5
119.04920	0.5
119.08561	2.5
121.06490	2.1
121.10122	2.4
123.08029	1.0
123.11669	0.7
125.09621	1.6
129.06953	1.2
131.04945	1.1
131.08548	2.0
133.06512	1.1
133.10117	1.9
135.08040	1.3
135.11705	1.1
137.09601	0.7
143.08530	1.2
145.03471	0.6
145.06474	1.4
145.10101	2.1
147.04424	0.6
147.08072	0.8
147.11665	0.9
149.09645	1.1
155.08554	0.7
157.03535	0.6
157.10130	1.6
159.08043	1.1
159.11678	0.7
161.05957	2.9
163.11179	0.9
165.09103	2.0
167.08580	0.6
169.06345	0.5
169.10149	1.0
171.11717	0.6
173.09692	0.5
173.13235	0.8
175.14774	0.5
187.11185	0.9
189.09120	0.7
189.11223	0.8
193.12296	0.9
195.11678	0.5
203.14340	1.1
205.12108	0.7
210.53239	0.5
229.12442	0.6
231.13853	0.7
269.15494	0.7
271.13229	0.6
289.14368	1.9
365.21078	1.4
370.92538	0.6
383.22131	9.2
401.23422	3.5
418.10150	0.5
421.23764	0.6
439.24704	0.8
439.31583	0.5
457.25714	5.7
457.32208	0.9
475.25186	100.0
476.25311	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2519
Annotation	Val Asn Asp Lys
Peak:m/z	Relative Intensity
51.51519	0.2
55.05505	0.8
55.24660	0.2
63.91769	0.3
67.05493	0.7
69.07078	0.5
75.70601	0.2
79.05488	1.0
81.03425	0.3
81.07050	1.0
82.07412	0.3
83.04953	0.3
83.08645	0.5
85.02922	0.3
91.05476	0.7
93.07047	1.2
95.04960	0.3
95.08595	0.8
97.02875	0.6
97.10168	0.4
101.00865	0.6
105.07040	0.8
107.08616	0.6
109.06533	0.4
109.10182	0.5
111.08096	0.3
113.00898	0.4
118.03278	0.5
119.01915	0.9
119.08570	0.5
121.10104	0.5
125.09676	0.4
127.02480	0.3
131.01915	0.6
131.08560	0.6
133.03513	0.3
135.08131	0.4
139.07408	0.4
143.01901	0.4
145.03470	0.8
145.10141	0.4
147.08051	0.4
155.01901	0.9
157.03482	0.7
157.10226	0.4
159.11751	0.3
165.09143	0.8
173.02950	0.7
185.02989	0.4
205.12349	0.3
221.05054	0.3
313.18637	0.3
361.20630	1.7
379.21756	0.6
383.22156	0.9
445.22977	0.8
457.25937	0.5
475.25168	100.0
476.25638	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	473.3632
Annotation	Odoratone
Peak:m/z	Relative Intensity
50.49060	0.9
53.03931	1.0
55.05507	2.7
57.01980	1.0
57.07076	2.0
65.33533	0.9
67.05500	5.0
69.07066	3.8
69.31245	9.5
79.05486	4.2
80.61283	1.0
81.07049	10.3
83.08595	3.1
85.06537	1.8
91.05484	4.7
93.07048	12.8
95.08611	17.3
97.06524	1.9
105.07024	9.7
107.08589	15.4
109.06467	1.6
109.10168	8.4
116.73332	1.0
117.07040	1.6
119.08588	17.7
121.06466	1.1
121.10172	15.7
123.08023	1.7
123.11697	2.2
125.09664	1.1
131.08559	5.9
133.10155	9.9
135.08101	1.5
135.11690	11.2
137.09616	1.9
137.13260	1.8
143.08530	1.6
145.10126	7.7
147.10608	1.3
147.11708	12.7
149.13268	8.0
151.11186	1.4
157.10088	2.3
159.11694	5.2
161.13261	5.5
163.11169	0.9
163.14876	6.0
171.11617	1.7
171.33089	0.9
173.13246	3.7
175.14871	5.0
177.16417	5.8
183.11722	1.7
185.13275	1.4
187.14839	8.7
189.12766	1.0
189.16397	16.5
190.16722	1.3
191.14267	1.3
191.17970	2.3
193.15952	1.0
199.14787	2.3
201.16283	4.5
203.18047	2.4
205.15894	24.8
207.17444	16.4
208.17792	1.3
213.16367	1.6
215.17982	3.7
219.13789	1.2
219.17407	2.4
227.18004	1.5
229.19586	2.0
255.21100	2.5
269.22549	2.2
391.33524	2.4
409.34927	5.9
427.35773	100.0
428.35999	2.3
455.31265	3.3
473.32538	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	474.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95948	0.9
51.02391	1.1
55.05503	4.5
55.25276	1.0
56.04810	1.0
56.05038	10.2
57.27551	0.9
58.07915	0.9
59.04996	1.5
66.35087	1.1
67.05496	3.4
69.03412	2.9
69.07066	2.3
70.06577	3.3
70.86371	2.4
79.01850	4.2
81.03403	1.7
81.07037	3.4
82.06575	4.8
84.08145	65.0
85.02879	1.1
96.08116	1.4
97.02899	2.6
98.09695	100.0
99.09982	1.3
100.07627	2.6
107.01294	1.4
109.10163	1.3
124.11234	20.6
125.02370	2.4
126.11926	1.3
126.12791	17.1
127.11142	1.5
137.59433	1.0
142.12274	49.2
143.03419	6.2
144.13838	55.2
153.01834	72.4
153.02934	4.8
160.13339	43.1
165.39156	0.9
171.02818	1.7
183.35570	0.9
187.56134	1.1
227.53325	1.0
297.05957	1.3
315.07098	1.4
456.18707	1.3
474.14111	1.5
474.19849	17.0
492.03024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.2
53.81658	4.2
55.01866	15.2
55.05506	12.3
56.96568	6.6
57.03426	9.1
65.03922	17.8
67.05495	14.0
69.03432	48.9
69.07060	12.2
70.06596	23.0
70.14166	14.7
70.14539	8.0
71.04990	11.9
73.40347	4.1
74.06091	8.4
78.10926	4.1
79.01849	12.4
79.05482	18.1
81.03416	66.9
81.07052	21.0
83.04985	11.8
83.08623	4.3
85.02903	37.9
85.06533	6.3
87.04461	5.4
91.05491	29.0
93.03436	19.1
93.07050	18.3
95.01312	4.3
95.04977	27.4
95.08593	19.9
97.02894	57.6
97.06531	5.6
98.97597	7.1
99.04440	19.6
100.52551	3.7
100.95412	3.6
103.05458	4.9
105.07034	46.6
107.04942	9.2
107.08576	23.2
108.02075	3.9
109.02884	63.7
109.06535	10.0
109.10162	14.4
110.97570	5.4
111.04465	8.6
115.05454	5.8
116.98666	4.6
117.07028	10.4
119.04951	7.3
119.08584	39.0
119.35160	3.6
120.08107	7.4
121.02871	97.7
121.06511	13.7
121.10182	8.3
123.04427	20.6
123.05234	4.1
123.08081	10.9
123.11741	9.7
125.02361	81.7
127.03926	100.0
128.06235	8.3
129.07007	12.5
131.04929	10.5
131.08548	17.8
133.06514	8.1
133.10123	18.9
135.04436	7.9
135.08072	49.0
135.11670	5.6
137.02380	5.0
137.05991	11.0
137.09633	9.5
139.03900	36.7
141.06973	10.5
142.07788	11.6
143.08543	13.6
144.05653	5.4
144.09343	5.0
145.05014	9.5
145.06433	7.9
145.10141	36.1
147.04396	11.1
147.08046	16.2
147.11668	14.4
149.05994	7.6
149.09607	8.5
149.13220	5.2
151.07582	6.8
151.11194	10.4
153.01862	18.7
154.07817	4.3
155.08553	5.8
156.09343	11.5
157.06541	5.9
157.10146	22.0
159.08051	19.2
159.11708	19.5
160.08829	4.0
161.06017	5.3
161.09619	14.3
161.13300	10.5
163.07498	4.6
163.11186	5.1
165.07135	5.5
165.09085	4.9
166.07655	5.4
169.06480	5.5
169.10106	11.8
170.07245	4.1
171.08131	9.2
171.11708	10.3
172.08887	8.9
173.06049	3.9
173.09607	41.3
173.13229	7.8
175.07544	4.5
175.11191	23.3
177.05447	5.1
177.09062	5.4
179.03401	5.1
179.08646	6.8
181.04955	3.9
181.10091	10.1
183.06761	8.0
183.08212	4.7
183.11662	5.8
184.08800	6.9
185.09615	56.5
186.10439	31.2
187.07614	6.5
187.11168	68.6
188.11887	5.1
189.09192	7.5
189.12775	21.7
191.07071	3.9
191.14311	10.9
195.07985	5.2
197.01244	4.8
199.11157	37.4
201.12741	5.7
205.12247	5.6
209.09613	11.8
209.15349	19.2
211.11226	4.1
213.09093	7.0
215.10681	8.2
219.01904	7.7
219.08351	8.6
225.12717	7.3
227.10690	35.9
229.08607	4.6
229.12234	7.9
229.15535	7.0
234.10484	4.6
239.14238	6.3
249.11081	5.8
253.12344	6.0
255.10156	23.6
265.07205	5.7
267.13751	12.8
269.06644	7.8
271.10205	4.5
271.13397	13.3
273.11243	12.2
277.12326	4.9
287.05597	4.7
290.15540	4.8
295.13382	49.8
313.07089	41.6
313.14377	84.1
317.26721	4.1
331.15500	31.0
457.18478	10.8
475.21826	29.1
475.32648	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.8
56.96558	5.9
57.03441	2.7
61.02934	4.2
67.05512	11.3
69.03428	1.9
69.07065	9.7
69.45775	8.9
69.46204	4.6
71.04983	2.3
71.56647	1.6
73.02926	2.6
78.60373	1.6
79.05499	9.0
81.03406	4.2
81.07056	16.7
83.08601	3.5
85.02893	5.8
85.06548	1.8
85.67945	1.9
91.03967	3.0
91.05482	5.5
93.07052	17.8
95.04956	2.6
95.08606	29.7
97.02871	4.2
97.10237	1.9
98.97576	3.3
105.07019	14.5
107.08601	28.1
109.06543	1.9
109.10159	13.1
110.52980	2.1
117.07021	2.2
119.08578	21.7
121.10155	21.6
123.11679	5.7
126.20869	1.7
127.03910	1.9
131.08536	11.6
133.10124	14.7
135.08020	2.5
135.11002	1.4
135.11728	17.4
136.93080	2.0
143.08562	3.0
143.74051	1.7
145.10146	9.4
147.11685	15.6
148.18466	1.7
149.13234	12.5
154.94147	6.7
157.10138	3.3
159.11685	7.7
161.13222	9.4
163.14828	13.0
170.87933	1.8
171.11743	2.2
172.95224	7.2
173.13260	4.7
175.14775	7.6
177.16431	10.7
185.13223	3.4
187.14842	13.6
189.16385	29.0
191.17912	5.8
199.14778	3.4
201.16396	8.2
203.17905	4.6
205.15883	79.1
207.17456	39.1
209.94762	1.6
213.16310	3.6
215.17990	8.4
217.19615	2.4
219.17461	6.4
227.17928	2.8
229.19482	4.0
241.07367	3.9
241.19528	2.8
255.21057	6.2
259.08502	3.5
267.08997	6.4
268.09235	2.6
269.22791	3.6
285.10086	11.5
286.10403	3.4
315.10968	2.6
317.17834	3.9
318.18439	2.2
319.19373	2.9
324.11591	3.3
324.61890	3.0
337.20465	3.2
349.66119	3.0
360.03375	2.0
391.33658	2.2
409.34821	18.3
427.35770	100.0
455.30396	2.8
455.35757	3.3
473.19843	9.0
473.34933	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	473.3629
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
51.26583	1.8
53.03954	2.4
55.05505	8.2
56.96552	3.5
57.07063	5.2
58.03336	1.8
60.23265	1.7
65.03925	2.0
67.05511	15.9
68.55988	1.7
69.03432	1.8
69.06744	2.5
69.07068	20.3
70.96968	3.5
71.08624	2.0
79.05490	11.2
79.05882	2.1
81.07060	36.5
83.08627	11.5
91.05483	12.5
92.96362	2.1
93.07053	26.7
95.04955	4.2
95.08614	64.2
97.10164	4.1
97.62128	1.7
105.06361	2.6
105.07035	30.4
107.08601	58.8
107.35076	1.5
109.06571	2.0
109.10159	47.6
111.08042	3.6
111.11726	3.6
117.07098	1.7
119.08583	52.1
121.06496	2.2
121.09299	3.6
121.10145	44.5
122.21112	1.9
123.08092	4.9
123.11733	17.8
125.09586	2.7
129.06911	1.7
131.08543	7.7
133.10136	54.8
135.08066	2.9
135.11700	25.5
136.93121	2.3
137.09560	3.8
137.13228	3.3
142.07684	1.8
143.08560	2.9
145.10109	20.2
147.00125	1.8
147.11687	36.5
149.09666	2.4
149.13272	20.2
151.11220	3.2
153.09077	4.4
154.94142	3.7
156.09482	1.7
157.09999	2.0
159.11710	19.1
161.09593	2.0
161.13275	21.4
163.11171	6.8
163.14847	22.9
167.10718	2.5
171.11693	3.9
172.95204	3.1
173.13268	13.8
175.14844	26.9
177.12747	5.0
177.16405	27.4
179.10654	2.2
179.14165	2.9
183.10185	3.7
185.13214	3.8
187.14850	24.2
189.12747	2.3
189.16388	65.2
189.74803	2.0
191.17963	17.5
199.14845	3.7
201.16391	15.9
203.17964	100.0
205.15903	50.0
205.19470	7.0
207.17509	15.7
213.16331	4.9
214.22922	1.8
215.17944	7.4
217.15964	2.8
217.19481	5.3
219.17432	5.9
221.19005	3.5
223.16888	7.3
227.17880	3.7
229.19492	4.7
231.21077	2.9
235.16977	4.0
241.19597	1.8
243.21024	3.8
247.17000	2.2
249.18484	15.2
257.22638	2.1
285.10117	3.4
313.25336	2.4
350.00964	2.0
391.33536	6.1
409.29578	3.6
409.34729	64.0
427.35947	10.1
437.34186	25.6
443.35306	2.2
455.18387	2.0
455.34912	8.4
473.19370	5.0
473.36722	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3627
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05509	23.4
67.05506	21.7
69.07051	14.9
69.54783	7.3
69.55194	21.2
79.05500	21.4
79.72363	3.5
81.03403	6.5
81.07057	40.0
83.05013	6.2
83.08179	4.4
83.08623	17.5
83.37505	3.9
85.83480	4.0
86.62452	3.6
91.05477	16.9
93.07043	42.1
95.08607	85.1
97.06526	5.0
97.10158	4.8
105.07036	46.6
107.08597	69.4
109.06525	6.5
109.10159	47.8
119.08583	80.4
121.10135	58.1
123.11707	24.5
131.08571	13.7
132.25850	3.7
133.10136	54.3
134.75261	4.0
135.08073	8.6
135.11705	35.2
137.13278	4.4
143.08549	4.3
145.10143	31.1
147.11685	40.8
149.13271	21.6
150.75058	3.9
151.11206	5.7
157.10097	8.5
158.73871	4.3
159.11681	21.1
161.09599	5.1
161.13303	25.3
163.11183	6.8
163.14850	26.3
171.11627	8.3
173.13301	18.3
175.14847	15.1
177.16364	23.0
179.14273	7.5
185.13344	7.4
187.14789	36.6
189.16396	81.0
191.14465	6.1
191.17931	45.0
199.14836	6.6
201.12723	4.3
201.16328	28.3
201.40530	4.1
203.17957	91.9
205.15918	40.9
205.19374	8.0
207.17419	18.2
213.16217	5.0
215.17896	5.7
217.19528	8.9
219.17432	11.0
221.19102	5.1
227.18015	5.5
229.19565	6.0
231.17430	6.6
233.15524	4.4
235.16954	5.8
247.17010	12.4
249.18466	13.3
391.33453	9.2
403.56876	4.7
409.34708	100.0
427.35870	24.4
437.34421	8.1
455.35458	29.4
473.30228	4.6
473.36395	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	473.363
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
53.03927	5.9
53.06731	4.1
55.05514	22.7
56.96576	7.0
57.03429	5.6
57.07072	10.2
61.02909	7.4
61.80801	4.3
67.05496	35.6
67.19646	4.2
69.03427	8.1
69.07079	28.4
69.25095	9.3
69.25497	47.5
71.05000	4.8
78.30831	4.9
79.05493	27.0
81.03416	6.6
81.06644	5.3
81.07067	66.2
83.04980	9.9
83.08614	12.4
85.02904	8.3
87.06429	4.6
89.44861	5.6
91.03937	4.7
91.05473	28.6
93.07047	57.7
95.08612	100.0
96.08973	4.8
97.02905	5.4
97.06525	4.9
97.10138	11.2
98.21442	9.4
98.97577	8.8
99.08089	7.8
105.07039	59.4
107.08596	89.3
107.36539	4.6
109.06480	6.8
109.10163	54.4
111.08047	5.6
117.07003	9.0
119.08577	85.3
121.06532	7.5
121.10143	64.6
123.08057	7.4
123.11715	21.7
131.08565	25.9
133.09186	8.1
133.10123	67.8
135.08031	9.1
135.11694	48.5
135.29675	4.6
138.55444	3.9
138.84579	4.5
143.08583	13.3
145.10114	53.2
147.08093	4.7
147.11697	43.4
149.09608	9.8
149.13277	20.0
157.10112	12.1
159.11681	43.0
161.09642	7.0
161.13297	22.9
163.07585	6.7
163.14867	33.3
165.09140	6.4
171.11684	16.6
173.09595	4.8
173.13226	25.0
175.11206	5.9
175.14845	29.8
177.09042	5.9
177.16380	37.4
179.14151	5.5
185.13362	15.3
187.14830	34.5
189.16394	50.3
191.16383	6.7
191.17969	70.3
199.14789	13.7
201.12740	6.0
201.16388	56.5
203.14354	7.3
203.17932	38.9
205.15958	5.7
207.17477	13.0
211.14841	6.6
213.16283	7.2
215.14265	4.8
215.18004	14.8
217.12247	5.2
217.15904	5.8
217.19511	6.3
219.13924	5.6
219.17427	13.2
223.17065	11.2
229.15839	9.9
229.19501	5.3
233.15335	9.7
241.19519	7.4
247.16930	33.0
259.08557	10.4
261.48181	4.4
267.08884	9.3
285.09848	11.5
286.10602	5.8
349.66156	6.6
350.16074	6.7
391.33682	7.1
409.30273	10.7
409.34723	17.4
425.34039	7.4
427.35889	9.9
437.34067	21.0
455.30496	21.2
455.35211	53.6
473.31555	18.0
473.36215	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	473.3632
Annotation	Sumaresinol
Peak:m/z	Relative Intensity
53.03955	1.1
55.05516	6.5
57.07065	1.3
57.31661	1.0
63.95003	1.0
67.05506	15.5
69.07071	10.5
69.64577	7.2
71.04979	1.2
79.05515	7.6
81.06625	1.7
81.07059	19.1
82.44837	1.0
83.04976	3.6
83.08615	3.2
85.06584	1.5
91.05476	7.7
91.57754	1.0
93.07064	13.9
94.25102	1.1
95.04974	2.5
95.08610	46.0
95.21992	1.1
97.06576	1.5
97.10167	4.0
98.41222	1.1
105.07029	15.5
107.07952	1.5
107.08604	20.4
109.06534	2.3
109.10165	26.7
111.08050	1.9
117.07038	2.5
119.08577	16.9
121.06536	6.0
121.10149	14.7
123.08063	1.6
123.11710	8.8
129.06975	1.6
131.08574	5.3
133.06485	1.2
133.10149	14.2
135.08049	3.3
135.11713	10.1
137.09569	2.2
137.13309	5.0
139.07521	8.6
143.03560	1.2
143.08545	3.8
144.24065	1.2
145.10147	9.8
147.08066	3.1
147.11707	9.1
149.09622	2.4
149.13272	9.5
151.07556	1.9
151.14862	2.2
153.09132	3.5
155.08618	1.5
156.09357	2.0
157.10167	6.6
159.11726	8.2
161.09610	2.3
161.13248	6.9
163.07559	1.6
163.11192	2.4
163.14812	9.7
165.09096	2.1
169.10150	2.1
171.11670	5.3
173.09630	2.2
173.13297	6.7
175.11229	2.1
175.14839	10.0
177.12711	1.7
177.16391	5.3
179.10681	2.0
183.11687	3.2
185.09654	1.8
185.13277	5.0
187.11198	2.6
187.14751	7.4
189.12794	2.3
189.16383	7.0
191.14336	2.2
191.17940	2.0
192.65462	1.2
193.12167	2.1
197.13231	1.5
199.14828	4.3
201.12779	1.7
201.16428	5.5
203.14369	3.0
203.18007	3.9
205.12189	1.5
207.17494	1.9
211.14748	1.6
213.16400	2.4
215.14360	1.8
215.17952	3.0
217.15797	2.7
217.19522	1.8
219.17476	1.3
221.15350	1.9
225.16524	1.4
227.14340	1.8
227.18195	1.8
229.15883	1.4
229.19507	4.0
231.17465	1.7
235.16959	1.9
241.19501	2.1
243.21216	1.7
245.19029	2.3
247.20644	1.3
249.18532	1.6
253.19507	1.6
255.21011	1.8
259.20596	1.6
271.20563	2.9
273.22046	1.3
275.20038	1.8
283.20590	2.7
299.20029	3.5
301.21524	2.4
309.21954	1.2
321.25800	1.3
323.23651	1.6
327.23148	2.7
341.24774	1.5
345.24557	1.5
354.59756	1.2
355.26205	1.2
359.25989	2.9
371.25513	2.2
391.33368	2.1
407.33026	1.1
409.34744	12.1
419.32971	3.5
425.34058	3.8
427.35995	12.3
437.34344	15.3
438.34357	1.4
455.35281	100.0
456.35483	2.4
473.36487	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	473.3628
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03945	2.0
55.05515	10.1
57.07077	2.6
62.55430	1.2
64.27194	1.3
65.03928	1.2
67.05512	11.3
69.03434	1.2
69.07065	14.8
69.85303	2.0
69.85718	4.8
78.13345	1.1
79.05498	10.1
81.03416	1.4
81.07059	26.0
83.08626	8.6
87.04509	1.3
91.05478	11.0
93.07049	20.2
95.04972	3.9
95.08607	49.6
97.06551	1.4
97.10162	4.4
98.21445	2.4
98.61973	1.1
105.07028	27.5
107.04942	2.2
107.08600	44.8
109.06548	2.0
109.10159	29.4
111.08083	3.8
117.07066	2.1
119.08588	46.4
121.06525	1.3
121.10148	32.8
123.08089	2.3
123.11736	9.3
125.58566	1.1
129.06993	1.8
131.08582	7.6
133.10130	40.6
135.11697	20.7
137.09607	1.4
137.13234	2.4
143.08533	1.5
145.10132	13.5
147.11682	32.2
149.09576	1.3
149.13277	16.1
151.11191	2.2
153.09117	7.6
157.10167	3.7
158.10991	1.7
159.11691	12.4
159.12839	1.4
161.09709	1.6
161.13257	21.5
163.11191	4.4
163.14816	18.4
165.09181	2.6
165.12784	1.5
167.10675	3.0
171.11737	3.8
173.13284	6.0
175.11305	1.4
175.14838	17.5
177.12804	1.9
177.16408	25.0
178.16800	1.2
179.10744	2.3
179.14275	2.7
185.13306	2.1
187.14821	19.9
189.16383	85.4
191.17961	13.9
197.91635	1.2
199.14796	1.7
201.16422	13.4
203.17953	100.0
205.15880	52.7
205.17833	2.3
205.19377	6.7
207.17462	22.7
213.16476	3.8
214.99571	1.2
215.17955	6.4
217.16000	2.0
217.19603	3.3
219.17509	4.0
221.15459	1.4
221.19112	3.1
223.16965	3.2
229.19516	2.7
231.17485	2.9
231.21124	2.5
235.16974	6.3
241.19722	1.3
247.16934	2.7
249.18468	22.0
249.20802	1.9
257.22610	1.5
259.20709	2.3
296.40759	1.2
313.25302	1.7
391.33734	5.4
409.34683	89.9
427.35779	10.7
437.34378	12.5
441.15192	1.6
455.35773	1.5
473.36404	60.2
474.37241	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3628
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
51.22026	6.0
51.62690	5.7
53.61892	7.4
55.05510	7.6
59.27811	6.2
62.56553	6.7
69.58582	47.7
79.05493	6.6
80.27070	7.2
81.07067	16.3
85.24688	6.9
91.05478	9.4
93.07059	16.0
95.08617	48.1
105.07029	20.2
107.08582	39.9
109.10155	24.1
113.11678	7.1
119.08632	32.0
121.10155	26.3
133.10114	26.5
135.11723	19.6
137.76308	7.0
145.10106	18.9
147.11702	17.3
153.09084	8.4
161.13292	8.1
163.11227	14.8
175.14902	15.4
177.16388	23.1
187.14830	16.2
189.16367	52.6
191.17874	6.8
203.17929	36.5
205.15906	100.0
207.17430	16.3
241.43416	7.0
249.18539	9.3
298.99173	7.1
313.25250	11.4
409.34805	34.8
427.35782	19.5
437.34042	14.8
473.36371	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	473.3628
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03939	0.9
55.05517	3.3
55.23419	0.4
57.03434	0.8
57.07069	1.6
66.68356	0.5
67.05505	5.6
69.07077	5.8
70.04575	0.6
70.04848	2.2
71.04955	0.6
71.08649	0.4
79.05500	5.1
81.07061	12.5
83.04975	0.5
83.08621	3.5
85.06542	0.6
91.05484	5.3
93.07047	12.3
93.07616	0.8
95.04964	0.8
95.08610	20.1
97.06516	1.5
97.10166	1.9
98.20820	0.9
100.14428	0.5
102.94225	0.5
103.93031	0.5
105.07035	10.6
107.08598	21.3
109.06527	1.5
109.10160	11.7
111.08089	1.5
113.39143	0.5
117.07043	1.8
119.08583	20.5
119.09443	1.1
121.06542	0.8
121.10155	12.5
123.08080	4.4
123.11718	7.0
125.09618	0.6
129.07039	0.7
129.31921	0.5
131.08572	5.3
133.10133	17.2
135.08080	1.0
135.11702	15.6
137.09616	0.8
137.13252	1.6
143.08542	2.1
145.10126	10.7
147.11694	14.1
149.09685	1.0
149.13251	6.2
151.11208	1.6
151.14932	0.6
153.09050	0.6
153.12784	0.7
155.08539	0.7
157.10139	2.2
158.10934	0.5
159.11696	8.9
161.09625	0.6
161.13261	8.3
163.11218	0.6
163.14815	6.5
165.12871	0.8
169.10081	0.5
171.11713	2.4
173.13269	5.4
175.14842	5.9
177.12778	0.7
177.16365	3.8
179.10780	0.7
179.14278	0.7
183.11778	1.0
185.13319	2.6
187.11201	0.5
187.14836	9.1
189.16388	16.2
191.18036	2.3
197.13383	0.8
199.14828	3.3
201.16386	19.8
203.14240	0.7
203.17960	11.6
203.19717	0.9
205.15892	8.1
207.17448	16.2
212.15714	0.6
213.16354	2.4
215.17981	6.0
217.16055	0.7
217.19608	2.0
219.17383	2.3
221.19005	1.2
225.16452	0.7
227.17926	2.0
229.19572	2.7
231.17548	0.7
231.21025	0.5
233.15450	1.3
233.19022	1.1
235.16951	1.2
239.17929	0.8
241.19467	2.8
243.21025	3.3
247.16934	7.1
253.19460	0.8
255.21111	6.1
257.22653	2.5
267.21057	0.9
269.22647	2.9
275.20056	0.8
281.22723	0.5
287.20114	1.1
289.21695	0.9
295.24454	0.5
301.21664	3.9
303.23291	2.0
312.28531	0.5
315.23154	2.1
331.26349	6.7
356.31818	0.5
357.27939	4.6
391.33545	2.9
409.34692	6.2
419.33252	0.8
427.35757	100.0
428.35971	2.9
437.34256	7.5
455.35291	5.5
469.47513	0.5
473.19464	0.5
473.36182	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	473.363
Annotation	Cyathic acid
Peak:m/z	Relative Intensity
51.12668	7.5
55.05506	10.0
63.70157	5.6
66.69795	5.8
66.98499	6.2
67.05515	16.3
69.07058	19.1
69.44361	50.5
72.91547	5.8
79.05513	8.1
81.07056	34.3
81.18878	5.5
83.08625	10.3
91.05509	11.3
93.07046	27.8
95.08611	44.1
100.15932	6.3
105.07047	27.1
107.08600	36.1
109.10168	27.5
109.10844	6.2
119.08582	40.2
121.10146	36.2
123.11731	12.7
125.21811	7.1
131.08560	8.4
133.10139	37.8
135.11658	31.1
145.10124	11.5
147.11700	22.9
149.13278	17.1
159.11703	14.7
161.13303	15.2
163.14845	23.7
173.13374	8.4
175.14818	23.7
177.16382	32.0
187.14876	18.6
189.16435	29.8
191.17928	12.2
198.17805	5.7
201.16449	19.5
203.17958	100.0
205.15851	37.7
205.19353	6.8
207.17476	18.3
280.12363	6.3
364.40958	6.8
409.34738	78.4
427.35437	12.1
437.34189	20.8
473.35553	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	473.3631
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
55.05501	3.6
55.83095	1.2
56.55394	1.1
57.03440	1.3
64.43682	1.0
67.05507	5.8
69.07069	5.5
70.14391	5.0
77.68203	1.0
79.05491	5.2
81.07058	13.4
83.04993	1.6
83.08608	2.5
91.05481	5.2
93.07041	11.8
95.04992	1.1
95.08615	17.3
97.06506	1.6
97.10184	1.3
98.98425	1.5
105.07039	10.9
107.08595	18.9
109.06512	1.7
109.10156	9.8
111.08057	1.6
117.07037	1.7
119.07788	1.2
119.08586	16.7
121.10142	14.7
123.08051	2.8
123.11716	4.9
131.08556	4.6
133.10144	11.1
135.08051	1.5
135.11694	10.2
143.08548	1.6
145.10147	7.7
147.11691	12.6
149.13271	10.4
157.10170	2.6
159.11726	6.4
161.13284	6.5
163.11200	2.1
163.14836	9.2
169.10078	1.3
171.11702	2.6
173.13260	2.9
175.14807	5.0
177.12616	1.2
177.16405	7.5
187.14815	12.2
189.16386	15.5
191.17915	2.7
201.16356	6.3
203.14328	2.0
203.17943	3.8
205.15868	26.1
207.17419	17.8
213.16304	1.2
215.17973	6.1
217.19528	1.8
219.17444	3.9
229.19498	3.4
250.33165	1.1
253.19447	1.2
255.21144	2.7
269.22650	2.2
409.34933	6.3
425.33746	1.2
427.35764	100.0
428.36108	2.7
455.35925	2.4
473.12106	1.2
473.33945	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	473.3627
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03941	2.0
55.05502	8.6
57.07067	5.2
60.55532	2.1
62.46800	2.5
66.57247	2.2
67.05497	10.7
69.07055	9.5
69.55514	15.1
71.05003	2.5
73.71729	2.4
74.04712	2.0
79.05482	8.7
81.07058	20.0
82.26006	2.1
83.08616	5.7
88.83408	2.1
91.05475	6.6
93.07050	16.0
95.08615	39.4
97.10172	6.0
100.02103	2.1
105.07037	14.6
107.08590	30.3
109.06526	2.4
109.10160	19.7
111.08127	2.6
116.59188	2.4
119.08579	21.7
120.08993	3.3
121.10146	19.2
123.11711	10.4
131.08566	6.2
133.10120	19.1
134.10507	2.6
135.08049	2.7
135.11696	11.8
137.13222	3.9
144.21277	2.5
145.10121	10.4
147.11685	12.3
149.13249	10.9
153.09175	5.1
159.11685	6.8
160.11957	3.1
161.13257	5.7
163.11195	3.2
163.14825	7.9
165.09190	2.8
167.10669	2.7
173.13280	5.5
175.14836	12.1
176.15221	2.2
177.16422	6.3
181.12273	3.7
182.02226	2.4
187.14842	18.3
189.16362	17.8
191.17926	5.2
201.16403	6.3
203.17941	27.9
204.18379	2.3
205.15927	2.9
207.17546	3.4
215.14201	2.6
215.17926	4.0
217.19493	5.8
223.16850	5.6
229.15962	2.7
235.16957	6.6
248.07483	2.2
249.18575	6.1
271.24234	3.3
409.34500	17.4
427.35608	25.2
437.34027	8.4
455.35074	15.7
473.34491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3621
Annotation	Myrrhanone B
Peak:m/z	Relative Intensity
53.03939	2.1
53.54360	2.1
54.82170	2.1
55.05502	9.0
57.07066	2.9
59.04992	2.6
64.96133	1.8
65.37015	2.3
67.05507	18.4
69.07069	17.3
71.05009	2.1
71.61689	3.4
79.05488	18.9
81.03439	3.0
81.07056	31.7
83.04971	3.3
83.08628	8.0
84.58043	1.9
84.84289	2.0
91.05475	16.2
93.07051	32.2
95.04967	4.0
95.08613	50.8
97.10152	4.6
100.82727	2.3
105.07030	32.2
105.07674	3.4
107.08596	50.4
107.09286	4.4
109.06514	6.3
109.10159	48.1
111.08086	2.0
117.07005	6.4
119.08588	54.0
119.09444	3.1
121.06530	2.6
121.10149	42.2
123.08071	5.2
123.11700	12.5
124.97466	2.3
125.09674	2.3
129.07018	3.0
131.08589	14.7
131.70093	2.0
133.06470	2.1
133.10136	49.3
135.08035	3.9
135.11690	24.0
137.05981	2.6
137.09602	3.0
137.13306	2.9
141.06956	2.6
143.08534	4.6
145.10127	23.4
147.11697	33.7
149.09631	3.9
149.13266	19.4
151.11153	3.9
153.09027	4.3
157.10147	8.0
159.07997	3.1
159.11696	22.0
161.09607	4.5
161.13266	22.1
163.11179	8.0
163.14832	19.1
165.09148	3.3
167.06958	2.4
167.10736	2.8
171.11679	6.9
173.13264	19.1
175.11214	4.4
175.14862	22.6
177.12738	7.9
177.16402	25.7
182.10887	3.1
183.11702	3.3
185.13260	5.8
187.11302	2.6
187.14841	24.9
189.12793	7.2
189.16394	56.8
189.18085	3.2
190.16779	2.7
191.14322	4.1
191.17976	11.7
194.77298	2.1
199.11221	2.4
201.12753	7.7
201.16344	14.3
203.14354	6.5
203.17953	100.0
205.15886	46.3
205.19463	5.1
207.17467	9.1
211.14883	2.4
213.16350	3.8
215.17998	3.9
217.12337	4.3
217.15874	5.1
217.19533	3.7
219.13797	5.9
219.17413	3.4
223.16974	6.8
225.16431	3.0
229.19571	4.4
231.17493	5.1
235.16995	6.0
249.18523	18.6
260.48914	2.1
313.25244	3.0
391.33649	7.3
409.34741	69.3
427.35901	7.1
437.34741	19.7
441.15607	3.4
455.31042	17.1
473.18958	3.4
473.31021	45.3
473.36673	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	473.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87741	2.8
53.03941	6.5
55.01871	8.5
55.05519	30.1
57.07067	12.3
67.05506	40.1
69.03439	26.4
69.07072	53.4
71.04982	7.3
71.61995	5.5
79.05495	28.1
79.50285	2.5
81.03417	13.2
81.07060	100.0
83.05012	6.6
83.08619	26.1
85.02901	29.9
85.06541	22.3
91.05484	22.0
91.77995	3.6
93.07050	37.6
95.04963	10.3
95.08610	95.5
96.08944	3.7
97.02880	11.1
97.06519	10.5
97.10188	16.6
98.97609	4.8
99.04445	7.5
99.08083	8.9
105.07041	29.6
107.04947	8.7
107.08598	35.9
109.02896	6.9
109.06528	10.1
109.10169	55.3
109.67328	2.9
110.49284	2.9
111.04433	6.0
111.08079	14.9
111.11722	12.5
113.09563	3.7
117.07038	5.9
119.04896	4.0
119.08588	30.4
121.06505	6.9
121.10136	27.5
123.08073	10.6
123.11718	27.5
123.13119	3.2
125.09624	9.4
125.13263	7.1
127.03926	11.4
128.06274	3.7
129.06987	7.4
131.04936	3.1
131.08556	12.5
133.10114	17.5
135.08072	8.7
135.11681	14.3
137.05986	5.3
137.09648	14.9
137.13260	14.4
139.07574	4.6
139.11140	4.8
141.07045	4.8
142.07727	3.2
143.08549	7.7
145.04944	5.2
145.10135	18.3
147.04401	6.3
147.08058	7.5
147.11711	16.0
149.09613	6.1
149.13269	18.6
151.07518	7.0
151.11214	5.7
151.14850	9.3
153.09120	3.7
157.10097	7.3
159.08026	9.2
159.11740	10.6
161.06055	3.4
161.09639	7.5
161.13280	8.0
163.11247	7.5
163.14821	13.1
165.09114	49.4
165.16414	3.3
167.07033	4.1
169.10147	3.9
171.11674	6.3
173.09605	4.4
173.13242	10.7
175.11197	5.0
175.14839	8.0
177.05406	4.2
177.12798	5.1
177.16437	3.3
179.07019	5.2
181.04950	10.4
183.11641	3.5
185.13252	5.3
187.11203	5.3
187.14806	7.2
187.79739	3.0
189.09077	5.3
189.12843	4.5
189.16309	7.3
191.10620	5.8
191.14281	4.1
197.13248	4.4
201.12753	4.1
201.16402	3.9
203.17950	4.5
205.12288	4.1
205.15837	3.9
205.19583	4.6
207.13750	3.8
213.16418	4.1
217.08618	4.2
217.16135	3.5
225.16522	3.7
255.80534	2.8
275.27405	4.8
293.21234	6.0
293.28333	9.4
311.29489	8.1
371.29089	3.7
401.30444	6.0
419.30634	4.6
427.32147	4.8
437.30984	3.8
441.15427	17.9
443.13342	4.5
455.31598	11.4
473.13477	3.9
473.24213	11.4
473.32861	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	473.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58659	1.4
51.02364	2.7
53.03955	11.2
54.46921	1.1
55.01843	5.3
55.05516	24.1
57.03414	3.9
59.11448	1.2
65.03918	4.8
67.05506	49.5
69.03413	4.3
69.07069	13.9
71.04957	4.4
73.06525	2.0
76.95677	1.3
79.05496	63.1
81.03421	100.0
81.07062	48.2
83.04987	14.7
83.08624	22.4
85.06503	4.6
91.05486	65.7
93.07050	50.9
95.04974	37.5
95.08048	2.0
95.08611	28.4
96.41033	1.1
97.02868	2.7
97.06543	6.9
97.10196	6.5
99.08051	1.6
102.43618	1.2
103.05415	3.6
105.04478	2.3
105.07036	49.3
107.04977	9.0
107.08587	21.7
109.06519	10.4
109.10166	11.1
111.04389	1.9
111.08083	7.6
115.05396	3.6
115.44738	1.3
117.07034	12.2
119.08592	35.4
121.06460	5.6
121.10151	14.2
123.08093	7.3
123.11660	2.8
125.06014	1.4
125.09596	2.0
128.06169	4.8
129.07010	24.1
131.08585	16.9
133.06438	5.3
133.10136	18.7
135.08049	2.7
135.11644	5.3
137.09541	2.2
141.06931	3.1
142.07750	3.5
143.08548	12.4
144.09341	1.6
145.06418	3.7
145.10139	17.0
147.08009	5.1
147.11693	34.5
149.09563	4.9
149.13188	2.6
155.08487	2.6
157.06483	1.7
157.09143	1.1
157.10135	14.3
159.08008	3.1
159.11653	5.5
161.09564	5.7
161.13297	8.9
163.11116	3.8
163.14842	1.8
165.09119	2.2
165.12695	1.8
169.10094	2.7
171.11702	22.6
173.09506	1.5
173.13199	5.2
175.11172	11.0
175.14761	2.7
177.12659	1.5
179.14362	1.6
181.10036	2.9
183.11572	1.8
185.13147	3.5
187.14894	2.3
189.12718	10.2
189.16357	5.8
191.14319	1.8
193.12256	28.2
197.13173	2.0
199.14815	1.9
201.12668	1.4
201.16362	3.0
203.14284	1.6
203.17899	1.8
205.12262	1.6
205.15807	3.7
207.11893	1.3
207.13821	20.2
217.12283	8.1
217.15775	1.6
225.14728	3.3
227.14258	1.7
231.13721	2.3
241.15727	1.3
249.14923	6.3
337.11832	1.2
342.72736	1.3
348.59775	1.5
375.86768	1.5
381.24265	2.8
399.25064	2.7
427.31802	2.8
437.29980	2.2
455.32147	6.9
473.28671	71.8
474.29163	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	473.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.8
55.01856	6.6
55.05509	21.7
57.03423	3.8
57.07069	5.4
58.99589	9.9
59.04996	10.3
65.45253	1.9
66.80592	1.9
67.05505	23.0
69.03071	4.2
69.03432	77.5
69.03801	4.6
69.07069	19.2
69.24214	20.8
70.04077	18.8
71.04990	5.6
71.08587	2.2
73.02923	2.6
75.02692	3.9
77.03928	2.5
79.05502	12.6
81.03423	14.9
81.07061	29.9
83.04984	42.0
83.08614	9.3
85.01111	5.3
85.02911	17.0
85.06544	4.9
86.99022	6.3
87.04457	7.2
91.05502	10.8
93.07046	19.7
95.04939	6.1
95.08608	53.3
97.02896	18.6
97.06531	3.2
97.10147	2.6
98.97574	3.1
99.02673	6.6
99.04443	9.0
99.08101	4.9
101.06045	6.4
103.02156	2.2
105.00082	11.9
105.07017	24.7
107.07943	3.7
107.08600	44.4
109.02877	20.4
109.06513	9.9
109.10156	100.0
111.08077	4.8
113.05984	3.4
117.03698	6.1
117.07007	5.1
119.08578	60.4
119.09442	3.0
121.10142	29.1
123.08058	13.0
123.11707	10.3
125.09665	3.0
127.03909	39.1
127.07575	3.4
127.11194	2.2
128.06161	2.1
129.07025	4.6
131.08594	5.3
133.10130	41.7
135.08040	4.1
135.11690	97.6
137.05957	2.8
137.09596	17.6
139.11188	27.9
141.06978	2.6
143.08583	3.4
145.03160	4.4
145.04971	6.3
145.06441	2.7
145.10106	11.9
147.04446	2.8
147.11662	18.3
149.09593	3.8
149.13243	17.2
151.11168	8.7
151.14801	6.8
155.07088	2.6
157.06471	2.2
158.94989	2.4
159.08051	4.1
159.11699	8.8
161.09630	2.6
161.13237	8.8
163.04245	8.9
163.11162	3.9
163.14833	8.4
165.09087	12.1
165.16373	3.1
167.10719	4.2
173.13234	6.6
175.11197	2.1
175.14819	44.7
177.05518	4.6
177.16408	9.9
179.10689	2.7
181.04965	9.7
183.04753	2.4
185.13260	3.2
187.07530	5.1
187.14827	10.0
189.09114	3.7
189.16408	37.7
191.03729	6.9
191.17969	5.6
193.15875	62.6
195.13730	2.4
199.07510	2.7
201.09140	2.8
201.16403	6.9
203.05368	3.4
203.17964	39.4
205.15884	22.3
207.13844	8.6
207.17351	9.9
211.16925	73.9
215.17957	4.0
217.08536	7.1
217.19446	2.8
219.10150	2.9
231.03149	4.4
235.16919	3.7
239.11002	7.3
241.19279	2.5
245.04933	2.7
245.10248	6.4
247.09590	2.2
249.18495	8.7
283.13620	7.9
306.47778	2.3
311.05536	2.7
317.06860	2.3
409.34628	34.8
427.35815	4.7
437.34320	3.4
441.10211	2.1
441.15555	21.5
455.17633	2.9
473.17410	11.7
473.27621	53.1
473.36868	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	473.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.2
55.01871	7.2
55.05513	36.2
56.96565	4.6
57.03419	10.1
57.07063	4.5
59.04996	4.4
60.96276	3.6
61.02926	5.6
65.03923	6.9
65.27293	3.8
67.05502	50.0
69.03431	73.9
69.07073	25.4
70.01022	15.3
70.06583	4.3
71.04988	11.5
71.08646	2.9
76.10303	3.3
79.05503	28.6
81.03423	35.1
81.07059	56.8
83.04984	36.7
83.08608	13.9
85.02907	42.4
85.06541	8.4
87.04476	5.0
91.05478	21.7
93.07037	40.8
95.04967	14.8
95.08607	43.8
97.02910	23.3
97.06556	13.8
97.10160	13.3
98.21409	5.0
98.97574	4.1
99.04470	21.1
99.08088	5.9
101.06046	4.8
103.05442	3.8
105.00079	3.7
105.03369	3.4
105.07037	32.0
107.04939	9.6
107.08598	59.2
109.02897	22.3
109.06527	16.4
109.10157	98.4
111.04449	24.3
111.08062	10.5
113.05971	6.2
115.03986	3.8
117.06989	9.1
119.08590	48.4
121.06516	10.2
121.10136	28.1
123.08073	14.5
123.11693	9.0
124.07594	11.5
125.05974	7.5
125.07958	5.4
125.09627	25.9
127.03902	29.3
127.07611	5.2
127.11205	4.4
128.06218	3.3
129.05495	12.4
129.07025	6.9
131.04921	7.8
131.08554	21.9
133.08420	3.2
133.10130	32.4
135.08044	10.9
135.11694	71.5
137.05963	9.7
137.09618	62.9
139.07571	4.0
139.11186	10.1
141.07025	3.2
143.08597	3.2
145.04982	7.1
145.06445	5.3
145.10107	16.6
146.10617	3.2
147.04414	18.0
147.08034	5.8
147.11671	12.5
149.02557	3.8
149.05952	3.7
149.09612	16.4
149.13271	9.0
151.07545	4.2
151.11192	11.6
151.14851	7.5
153.01891	4.5
157.06462	3.5
157.10152	5.3
159.11678	12.5
161.13289	7.5
163.04126	6.7
163.11185	10.0
165.09122	95.4
166.08676	3.6
167.07069	4.3
167.10719	6.5
171.11694	6.0
173.13176	5.9
175.07532	4.9
175.11185	6.4
175.14824	33.5
181.05005	8.5
181.12210	5.6
187.07565	3.9
189.09113	7.5
189.11252	10.2
189.12790	5.6
191.14302	6.6
193.15906	41.1
201.12779	3.9
203.14359	3.8
205.12271	5.6
207.13797	10.6
211.14922	4.8
211.16835	32.5
211.42279	3.5
217.08594	4.2
223.13307	10.1
235.52950	3.5
251.16072	3.3
275.20081	31.5
283.13580	3.1
293.21207	46.8
311.13147	7.8
311.21814	9.9
313.10538	3.6
315.01520	3.8
327.14328	3.6
330.07578	3.0
392.21771	3.4
431.62842	4.3
441.15314	12.3
455.31332	10.6
473.19882	17.2
473.27084	100.0
473.32889	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	472.379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12104	4.2
50.98396	3.7
55.05503	7.2
57.03418	4.4
57.89039	5.3
66.05228	3.7
67.05492	15.7
69.07079	23.2
71.62178	6.4
79.05479	11.9
81.07052	30.7
87.04462	5.6
91.05465	12.0
93.07020	16.0
94.48430	4.1
95.08623	33.0
95.93822	5.3
97.10140	6.3
105.07030	26.4
107.08601	32.0
109.10149	25.1
112.26015	4.5
116.15115	4.7
119.08595	44.4
121.10165	25.9
123.11707	10.9
131.08565	21.9
133.10173	26.1
135.11697	17.8
137.13222	5.3
140.23816	4.7
143.08559	15.6
145.10124	27.4
147.11681	17.4
149.09653	6.5
149.13234	9.2
157.10118	18.6
158.71214	4.4
159.11678	27.3
161.13292	8.6
163.14801	34.7
165.12724	12.8
171.11719	18.2
173.13278	13.6
175.14880	27.6
177.16374	14.6
183.11678	12.1
185.13281	12.1
187.14833	30.6
197.13416	6.5
199.14830	6.7
201.16405	21.1
203.18086	4.3
207.11714	5.1
211.14935	7.3
213.16423	9.5
215.14615	5.1
215.17958	12.6
225.16316	7.4
227.17903	7.3
229.19705	6.4
231.17393	7.3
237.16487	5.9
243.17155	4.6
261.18405	6.0
267.21057	5.1
269.22638	6.6
273.18475	19.5
287.20114	5.9
367.26373	6.1
401.32114	10.9
419.33078	46.3
437.34177	100.0
438.34406	6.6
455.35175	13.5
472.38068	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	473.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60696	3.1
53.03918	3.6
55.05505	7.4
59.05005	21.3
64.95488	2.8
67.05499	20.0
69.03418	14.6
69.07050	3.8
70.06574	5.0
71.34000	3.1
71.38530	3.5
71.57201	4.8
79.05476	4.8
81.03401	9.9
81.07047	7.2
82.82413	3.3
83.04962	5.0
85.02913	21.1
85.06522	9.2
86.09705	9.4
87.04449	6.2
91.05486	7.7
93.07024	11.9
95.04952	5.7
95.08609	69.3
97.02877	14.8
103.05453	4.2
105.05538	8.4
105.07011	9.4
107.08576	11.0
108.62258	3.1
108.89890	3.3
109.02859	6.4
109.06492	7.0
109.10117	3.8
113.05959	8.7
119.08568	16.9
121.06480	3.5
121.10147	11.3
123.04419	5.7
123.08064	27.2
127.03919	25.6
131.04901	10.7
132.13474	3.0
133.10028	3.6
135.08046	4.1
135.11682	8.3
137.05971	6.9
137.09587	4.2
145.04881	4.3
147.04427	4.3
147.11682	6.6
149.09618	79.1
153.01820	8.2
160.07610	4.3
160.60770	3.7
161.12106	3.0
161.13278	13.9
163.11143	6.8
165.12743	6.7
171.11633	6.5
189.12758	38.4
207.13818	100.0
209.15424	5.6
291.73981	3.1
311.11499	4.3
473.10870	5.6
473.23218	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	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01869	2.5
55.05498	1.2
56.05025	0.6
67.05507	0.4
69.03426	0.9
69.07037	0.4
69.96277	1.4
70.06598	2.5
78.59685	0.4
79.01853	0.5
81.03419	1.7
81.07064	1.5
84.04501	0.5
84.08134	0.6
85.02906	1.2
86.09706	0.9
93.07054	0.4
95.08596	1.9
97.02880	1.0
97.10133	0.3
98.06059	36.4
98.09679	0.7
99.04437	0.4
104.95940	0.3
109.02887	1.1
112.07603	1.0
112.11252	2.2
113.02319	0.5
123.08060	1.2
124.11257	0.4
125.02332	0.4
127.03914	1.0
137.05952	0.4
140.07112	0.7
140.10707	13.0
143.03389	1.0
147.18243	0.3
153.01834	13.3
153.02921	0.8
158.11771	100.0
159.12117	1.1
168.10214	0.8
171.02852	0.5
182.11757	0.6
200.12894	0.4
239.05663	0.4
248.13010	0.4
258.98895	0.3
297.06216	0.4
302.15924	0.7
320.17023	10.5
326.68515	0.3
454.17023	1.1
472.17273	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.05506	1.4
56.05030	1.4
67.05490	0.5
68.05025	0.9
69.03413	0.8
69.07067	1.5
70.06593	2.6
71.04990	0.8
72.08148	0.4
79.05486	1.2
80.05018	0.5
81.03422	0.6
81.05806	0.7
81.07065	0.4
82.06568	0.7
84.08138	1.1
85.02911	0.7
94.06532	0.6
95.08626	0.3
96.08134	8.6
97.02899	0.3
97.08913	9.4
98.06040	1.3
98.09714	1.5
99.06822	0.8
105.50085	0.3
108.08124	0.3
109.02856	0.4
110.09675	0.5
111.10477	0.3
111.28229	0.3
112.07590	0.8
112.11212	0.4
114.08378	0.5
114.09172	9.7
122.09669	0.7
123.10400	0.3
124.11186	0.3
126.96104	0.3
127.03932	2.4
130.08606	0.4
140.01617	0.6
140.07056	0.4
140.10704	19.0
141.11452	1.0
142.12265	0.3
147.04355	0.4
153.01848	3.0
158.11768	100.0
159.12105	0.9
165.05441	0.5
167.63771	0.3
208.09595	0.5
217.62289	0.3
247.02502	0.3
250.14368	0.3
277.03415	0.3
278.95578	0.3
310.03568	0.4
310.12927	0.4
310.16418	1.0
320.16968	0.3
323.56976	0.4
374.06836	0.3
472.17554	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	472.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01613	0.1
51.02389	0.4
51.74402	0.1
53.03947	1.6
55.01872	0.2
55.05507	0.1
57.03433	0.3
61.02942	0.1
68.37717	0.1
68.99826	0.1
69.03432	2.2
69.07030	0.1
70.06593	0.3
71.04996	0.3
71.61441	0.1
72.08154	0.1
73.02905	0.1
77.03942	0.4
79.05508	0.8
80.38021	0.1
81.03419	5.1
81.07069	0.1
83.08591	0.1
84.96047	0.1
85.02907	1.5
91.05503	0.1
93.07048	0.1
95.04969	1.8
95.08577	0.1
97.02898	3.2
98.97598	0.3
99.04448	0.7
100.11262	0.3
104.05031	0.2
105.03395	33.4
105.04539	0.9
105.98250	0.1
106.03739	0.3
107.08625	0.1
109.02885	2.7
109.10127	0.1
110.97552	0.1
116.98611	0.2
119.04961	0.2
123.04424	1.9
127.03922	2.9
129.10384	0.1
132.04449	8.2
133.04839	0.2
133.10057	0.1
145.04968	1.1
147.04414	0.3
148.04698	0.2
152.00446	0.1
153.01859	0.2
154.04990	0.2
160.03833	0.5
161.04773	0.2
162.05463	0.1
178.04996	64.8
179.05373	1.0
180.05428	0.2
198.42159	0.1
201.06644	0.1
206.04488	100.0
207.04816	1.3
219.01622	0.1
237.02802	0.2
249.07585	6.8
250.07875	0.1
267.08649	0.9
286.14090	0.1
351.17865	0.1
412.12256	0.1
412.17117	0.7
430.18045	0.3
471.35910	0.1
472.12369	1.1
472.18735	0.2
472.26031	0.3
473.07846	0.2
483.91998	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	471.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	10.0
55.05940	1.5
57.07075	2.6
64.84534	1.5
67.05505	16.0
69.07071	13.8
69.31702	9.6
69.32121	3.2
79.05502	9.1
81.07060	36.7
82.12566	1.2
83.08616	8.1
85.06554	1.5
91.05476	7.3
92.80450	1.3
93.07050	22.9
95.04996	1.9
95.08611	73.3
97.10197	5.8
98.71146	1.7
101.06026	1.7
105.07037	22.2
107.08598	43.0
109.06527	1.3
109.10156	35.9
111.08096	2.6
117.07056	2.2
119.08582	66.7
121.10159	33.5
121.11015	2.2
123.11711	22.3
123.12531	1.5
131.08549	7.0
133.10138	42.7
135.11687	26.8
137.13260	10.1
143.08601	3.6
145.10136	14.4
147.11688	29.3
147.12769	2.6
149.13260	15.6
153.09120	1.6
157.10182	4.6
159.11662	10.4
161.13274	21.4
163.14819	20.7
163.16081	1.9
171.11746	5.0
173.13281	9.4
175.14845	17.2
177.09142	1.7
177.16396	11.8
179.14305	1.7
181.88589	1.2
185.13318	2.5
187.14836	17.2
189.16396	86.2
191.17947	32.8
199.14854	3.4
201.16371	15.7
203.17958	93.9
205.19588	2.9
207.17488	3.7
213.16495	5.1
215.17969	15.9
217.19519	8.3
221.19077	3.0
227.18007	5.5
229.19629	5.8
231.17506	1.7
231.21101	11.2
233.19109	2.3
235.17110	2.0
237.18538	1.8
241.19672	5.1
243.21153	5.5
247.17003	2.3
249.18547	7.3
255.21219	5.6
257.10706	1.6
257.22675	6.6
259.24268	1.4
261.18524	2.8
263.20099	17.8
275.20169	4.1
287.20120	1.6
301.13379	1.8
301.21667	1.7
303.23346	2.7
316.12021	1.5
393.35135	16.3
407.33514	3.9
411.36252	23.3
425.34177	37.6
435.32990	2.4
453.37625	9.9
471.38550	100.0
472.38818	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	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	11.8
55.05500	23.7
57.03405	8.1
57.07064	9.9
58.56028	6.3
60.02394	6.6
61.02947	6.4
67.05493	32.1
69.07063	34.4
69.23397	39.8
69.23827	25.9
71.05000	6.7
74.04626	7.2
79.05492	32.6
81.03417	10.9
81.07050	81.5
83.04988	12.5
83.08620	12.5
85.02913	8.8
91.05461	31.8
93.07050	52.3
95.04971	8.8
95.08609	85.3
97.02878	6.5
97.06567	9.3
105.07047	79.2
107.04959	8.2
107.08597	100.0
109.06516	10.6
109.10165	52.2
111.08080	12.4
119.08581	99.1
121.10151	70.6
123.11703	16.8
125.09680	8.5
129.07025	12.4
131.08568	54.2
133.10121	86.2
135.08121	6.7
135.11697	39.4
137.09627	8.7
143.08589	20.2
145.10089	70.2
147.11710	45.6
149.13266	27.1
151.11142	6.1
157.10103	21.0
159.11705	59.9
161.09615	7.6
161.13298	27.7
163.11185	17.9
163.14819	28.9
167.86952	6.2
169.10115	10.1
171.11705	23.7
173.09731	10.0
173.13297	34.2
175.11111	13.4
175.14819	43.2
177.12793	12.6
177.16350	28.6
185.13136	12.8
187.11165	10.1
187.14835	58.7
189.12569	9.0
189.16391	53.8
191.14355	7.2
191.17989	8.8
199.14816	15.7
201.16359	76.9
203.17912	25.9
205.15887	73.9
207.17441	16.0
213.16341	15.6
215.14278	13.1
215.17972	14.8
217.12288	18.0
217.15958	12.3
219.13716	7.0
219.17427	11.7
221.15364	8.2
227.14278	7.4
229.19588	7.7
233.12512	7.0
247.16908	14.6
407.33273	46.2
411.04959	6.9
425.34583	38.2
435.27847	8.8
435.33008	10.7
443.35287	16.3
453.29828	27.8
471.29684	56.8
471.35349	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
52.69131	1.8
53.03956	2.6
55.05520	15.5
57.07071	3.2
65.03938	2.3
67.05510	20.2
69.07078	22.4
70.41515	1.8
71.00781	4.6
71.04988	2.2
71.08646	2.4
77.09859	1.7
79.05488	15.1
81.07061	44.3
83.04984	13.8
83.08620	8.1
85.02881	2.5
85.06535	4.4
91.05485	22.3
93.07049	44.7
95.04967	4.5
95.08611	79.2
97.06536	6.3
97.10184	5.5
99.08102	2.4
105.07030	48.6
107.08598	75.3
107.70920	2.0
109.06516	6.1
109.10162	46.5
111.08109	5.2
113.09663	2.1
114.95915	2.1
117.07043	4.5
119.08588	75.0
121.10156	47.8
123.08106	7.7
123.11722	20.2
125.09629	2.7
127.11263	3.2
131.08565	15.8
133.10141	39.8
133.11064	3.4
135.08109	5.6
135.11702	43.1
137.09636	6.2
137.13283	3.6
139.11212	3.2
143.08580	6.5
145.10121	20.9
147.08102	4.3
147.11693	41.8
149.09659	7.4
149.13243	16.4
150.85266	1.8
151.07567	3.0
151.11253	2.4
153.09128	2.4
155.08539	2.5
157.10123	9.1
159.11670	14.4
161.09627	2.9
161.13318	18.2
163.11185	2.2
163.14827	14.3
169.10172	3.1
170.10876	2.5
171.11722	7.7
173.13295	15.8
175.11247	4.8
175.14836	36.8
177.12863	3.5
177.16356	15.4
181.10278	2.0
183.11757	3.4
185.13226	9.4
187.14825	21.3
189.12811	3.1
189.16394	50.1
191.14355	8.3
191.17973	21.8
193.15897	4.3
197.13327	3.7
199.14839	8.9
201.16414	9.8
203.14354	13.5
203.17969	23.8
205.15926	17.6
205.19495	2.9
207.17490	17.8
209.15350	3.1
209.19092	2.7
213.16405	7.1
215.18062	8.2
217.15872	14.7
217.19540	4.8
219.17520	3.6
221.15453	6.0
221.18909	3.0
227.17940	3.4
229.19652	3.7
231.17500	6.0
233.19104	5.9
235.16910	19.1
241.19537	5.8
245.19093	2.2
249.14911	5.9
249.18660	2.3
253.19513	2.4
257.10666	2.1
263.16458	12.1
263.20163	2.9
267.21118	4.2
269.10513	2.0
273.18652	3.0
273.22055	4.6
285.22235	3.5
289.18069	3.3
295.24307	2.0
299.20282	2.6
301.21768	2.4
311.23666	2.4
313.21671	2.2
331.22681	5.3
389.32248	2.7
407.33145	18.1
425.34116	27.6
435.32700	8.2
440.41287	2.2
443.35284	25.1
453.33786	20.8
471.34790	100.0
472.35645	3.0
478.95078	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	471.3472
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
54.91364	6.9
55.05507	23.7
56.96556	8.5
57.07076	10.2
65.16118	7.1
67.05502	34.1
69.07058	24.3
69.24787	79.1
79.05495	29.3
81.03417	11.7
81.07072	58.7
82.18446	8.3
83.04877	7.2
83.08606	15.1
87.04452	7.0
91.05500	22.6
93.07045	38.1
95.08614	85.3
96.78357	6.8
98.20657	10.0
105.07011	50.0
107.08601	63.2
109.10141	40.1
117.06997	9.9
119.08577	100.0
121.10151	65.6
123.11707	19.7
129.27965	6.8
131.08586	24.2
133.10146	91.9
133.64554	7.7
135.11696	30.7
141.39539	7.1
143.08557	19.6
145.10097	41.7
147.11734	38.0
149.09598	11.6
149.13260	26.8
155.01866	7.4
155.08594	9.3
157.10170	24.6
159.11687	54.6
161.13251	28.2
163.14867	38.5
165.12767	7.6
169.10097	7.7
171.11748	18.9
173.13251	54.1
175.14839	53.3
177.16383	72.0
185.13263	21.3
187.14836	77.6
189.16350	60.7
191.17946	13.2
193.15825	12.9
199.14833	24.9
201.16371	21.5
203.14307	10.9
203.17941	38.4
205.15773	10.5
207.17494	10.1
211.14948	8.7
213.16396	17.8
215.17955	58.0
217.15921	13.6
227.17880	13.6
229.15886	7.3
231.17531	12.7
233.18991	17.2
235.16885	36.5
241.19319	8.6
247.16907	7.3
251.20079	84.4
269.12357	12.7
301.20309	10.5
389.32047	37.0
407.33160	58.6
425.34457	82.2
435.32581	48.0
453.33734	33.6
471.34439	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3471
Annotation	3alpha-Hydroxyglycyrrhetinate
Peak:m/z	Relative Intensity
55.05515	9.7
63.43708	3.2
67.05510	18.9
69.07060	19.9
70.85564	8.2
75.23170	3.6
78.08867	3.4
79.05479	15.3
81.07058	35.5
83.04948	5.3
83.08602	7.0
91.05484	14.6
93.07050	27.6
95.04977	6.5
95.08614	65.2
97.06544	4.4
105.07037	74.2
107.07941	5.4
107.08595	52.3
107.90575	3.5
109.10174	39.1
117.07034	5.2
119.08579	100.0
121.10151	43.2
123.11684	13.0
130.31300	3.3
131.08575	8.1
133.10118	42.7
135.11697	43.3
137.09637	4.1
137.13255	4.6
143.08600	5.2
145.10117	17.6
147.11699	27.1
149.13243	15.2
157.10133	7.0
159.11708	13.8
161.13235	18.4
163.14850	16.0
169.10202	6.1
171.11662	8.8
173.13249	11.0
175.14832	56.7
177.16348	17.3
185.13248	5.4
187.14789	13.8
189.12823	4.7
189.14728	6.8
189.16383	93.4
191.17953	47.3
197.13286	4.7
199.14880	8.9
201.16399	8.8
203.14291	8.0
203.17940	15.2
205.15874	8.4
207.17473	25.9
209.18935	13.6
213.16383	9.9
215.17973	8.3
217.15897	8.9
221.15372	7.7
227.17982	5.6
229.19548	3.6
231.17442	5.3
233.18939	12.2
235.16910	58.6
245.19026	4.7
253.19516	4.7
257.18985	5.0
271.20581	4.7
285.21942	4.5
313.21429	4.5
317.21317	4.3
331.22589	6.1
389.31842	4.2
407.33133	19.2
425.34125	53.9
435.32339	12.0
453.33722	21.1
471.34763	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3469
Annotation	ENOXOLONE
Peak:m/z	Relative Intensity
53.03936	0.4
54.72247	0.4
55.05506	1.1
57.07064	0.8
65.50034	0.4
67.05504	2.1
69.07052	1.8
69.44808	3.7
79.05492	1.5
81.07073	4.7
83.04974	1.9
83.08607	1.0
91.05480	1.7
93.07049	4.4
95.04955	1.6
95.08614	9.0
97.06546	0.5
100.46623	0.4
105.07028	5.3
107.07951	0.6
107.08597	7.5
109.06521	0.9
109.10162	4.7
111.08099	0.5
113.92559	0.5
119.08575	8.6
121.06473	0.8
121.10161	5.4
123.08035	0.6
123.11713	2.6
125.09621	0.9
129.07019	0.6
131.08556	1.2
133.10115	4.2
135.08098	0.5
135.11696	6.3
137.13266	0.7
139.11234	0.5
143.08566	1.6
145.10115	2.1
147.08054	1.0
147.11658	3.9
149.09612	1.0
149.13258	1.6
153.09177	0.7
155.08571	0.9
157.10110	2.1
159.08008	0.5
159.11694	2.0
161.09624	2.5
161.13240	2.2
163.14807	1.0
165.09178	0.5
167.67128	0.5
169.10184	1.0
171.11713	1.7
173.09618	0.7
173.13303	2.7
175.11226	1.1
175.14830	6.3
177.16408	1.2
183.11714	1.5
185.13251	0.9
187.11092	0.7
187.14809	2.0
189.12747	1.0
189.16389	9.0
191.17990	1.6
197.13261	1.4
199.14879	2.2
201.12764	0.8
201.16446	1.0
203.14334	0.6
207.17485	1.4
211.14828	0.6
213.16391	1.1
215.14330	0.7
215.18098	0.5
215.71239	0.4
217.15883	4.7
219.17267	0.5
227.17964	1.1
235.16895	5.6
245.18930	0.6
253.19562	1.9
271.20511	3.5
285.21970	0.6
287.29633	0.5
317.20966	1.1
407.33032	1.6
425.34207	6.3
452.70200	0.5
471.34711	100.0
472.34866	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	471.3471
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
55.05506	8.8
58.08090	4.7
60.60656	6.9
67.05508	32.7
69.07074	23.8
69.85479	11.3
69.85867	13.2
79.05486	18.7
81.07056	72.7
83.08624	13.3
91.05480	21.1
93.07056	37.6
95.04941	5.3
95.08612	100.0
97.10186	13.4
105.07020	50.0
107.08598	81.7
109.10149	52.9
117.07013	6.2
119.08585	99.0
121.10137	64.2
123.08081	11.3
123.11710	31.8
131.08572	28.3
133.10136	68.1
135.10001	5.5
135.11707	35.3
137.09605	8.6
137.13245	20.7
143.08571	12.0
145.10129	61.1
147.11694	34.2
149.09612	10.9
149.13271	17.2
157.10156	20.1
159.11699	56.2
161.13272	39.5
163.11182	8.4
163.14857	15.2
171.11713	25.5
173.13286	32.7
175.14845	37.2
177.09062	8.2
177.16400	27.8
183.11627	6.6
185.13307	14.9
187.14813	59.5
189.16348	37.6
191.17967	8.3
193.15892	6.5
199.14793	16.4
201.16380	64.7
203.17996	22.8
205.15953	12.5
213.16389	14.6
215.17949	21.0
217.19810	6.5
219.17503	29.4
225.16397	6.7
227.17940	12.0
229.19484	16.1
231.17493	6.8
233.19067	10.8
235.16933	9.7
237.18506	9.6
241.19470	12.9
247.17021	31.5
259.16965	8.1
261.18384	6.8
277.21857	6.7
293.22678	6.2
295.96286	5.6
311.23676	6.3
313.21490	10.2
334.79901	5.7
389.32053	14.6
407.33090	35.5
425.34100	49.3
435.32751	36.7
453.33588	24.9
471.34421	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	471.3474
Annotation	11-Keto-beta-boswellic acid
Peak:m/z	Relative Intensity
55.05500	22.1
67.05489	22.1
69.03410	8.2
69.07053	27.2
69.93665	38.8
79.05475	23.2
81.07069	43.0
83.08606	16.6
91.05474	25.1
93.07067	45.7
95.04994	8.9
95.08613	92.9
97.10179	8.1
98.21381	11.3
104.68492	7.8
105.07032	58.9
106.91769	6.9
107.08596	72.7
109.10159	38.0
111.08042	10.6
117.06999	12.1
118.50450	7.5
119.08587	100.0
121.10172	68.7
123.11697	24.0
131.08548	27.3
133.10130	78.1
135.11705	36.2
137.13290	9.2
143.08617	13.4
144.09348	9.5
145.10136	62.7
147.11659	48.5
149.09641	8.6
149.13251	19.2
153.09099	6.8
157.10149	22.8
159.11676	70.4
161.13251	39.8
163.11159	11.3
163.14764	12.4
169.10088	9.9
171.11656	9.6
173.13257	31.7
175.14821	33.3
177.09143	14.3
177.16385	17.3
185.13210	16.7
187.14857	44.4
189.16403	44.2
191.17993	19.0
195.13812	10.0
199.14752	17.7
201.16403	84.6
203.14261	9.0
203.17990	27.8
205.15871	27.5
208.28801	6.4
213.16356	12.0
215.14330	8.8
215.17970	20.8
217.15837	8.1
219.17430	20.8
225.16341	8.7
227.17903	12.1
229.15909	12.4
229.19458	13.6
235.16914	13.9
241.19493	11.2
247.16959	47.3
285.09995	9.4
316.27988	7.6
346.51367	7.6
389.31967	8.5
407.33066	33.4
425.33939	32.2
435.32501	29.8
451.62421	8.2
453.33539	14.0
471.35138	44.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3472
Annotation	Lantic acid
Peak:m/z	Relative Intensity
50.96645	1.6
55.05517	9.1
57.07072	2.1
65.01746	1.3
67.05506	13.0
69.07069	12.0
71.40382	1.4
74.16098	1.3
75.90582	1.5
79.05492	6.7
81.06629	2.1
81.07059	20.8
82.34563	1.7
83.05002	2.3
83.08597	5.6
85.06527	5.0
91.05491	9.2
93.07059	19.7
93.64577	1.6
95.08612	22.8
97.06506	2.2
97.10156	3.3
99.04473	2.0
103.30904	1.5
105.07038	20.7
106.07339	3.6
107.08595	28.9
109.06483	3.0
109.10165	24.5
111.08080	2.6
111.11791	1.5
117.07003	4.2
119.08601	26.2
121.06448	1.7
121.10141	25.1
123.08084	4.3
123.11729	9.6
129.07016	3.5
131.08549	8.9
133.10130	22.3
135.11691	18.2
137.13255	4.3
143.08542	5.8
145.10139	15.7
147.11714	13.1
149.09579	2.5
149.13246	9.0
151.11180	3.4
157.10155	13.9
159.11691	15.8
161.13298	7.6
163.14825	5.8
169.10139	2.0
171.11736	9.4
173.13315	11.3
175.14793	9.5
177.12791	2.4
177.16353	3.5
181.12219	2.1
185.13266	9.2
187.14816	13.0
189.16406	5.0
191.17950	3.1
195.11722	1.7
197.13310	1.8
199.14767	4.9
201.16360	6.5
203.14320	2.5
203.17908	4.1
211.14824	3.1
213.16298	7.2
215.18025	4.4
217.15897	2.7
227.17958	9.0
228.18768	2.6
229.16141	2.0
229.19487	12.5
237.18594	1.8
239.17841	2.0
241.19562	14.0
243.21046	4.8
247.16887	2.6
255.21056	10.8
260.38644	1.6
261.18469	2.1
273.18668	1.7
275.20129	2.6
277.21533	2.3
281.22604	3.1
287.20218	1.9
289.21606	1.8
295.20111	1.6
301.21460	2.5
329.24756	1.6
349.78452	1.8
350.76276	1.8
370.16898	1.7
376.60440	1.9
407.33215	11.4
425.34158	100.0
426.34210	3.0
435.32584	4.8
453.33453	6.9
471.34778	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	471.3471
Annotation	Liquiritic acid
Peak:m/z	Relative Intensity
53.03943	2.9
53.58757	1.4
55.05512	19.5
57.03439	2.1
57.07075	5.4
58.62077	1.7
58.88495	1.4
59.04999	1.9
65.03952	3.1
67.05162	1.9
67.05509	24.1
69.03430	3.2
69.06708	2.4
69.07068	27.5
71.04976	3.2
71.61164	2.5
76.02227	6.3
79.05490	24.0
81.03428	2.9
81.07059	67.1
83.04983	7.1
83.08614	11.5
85.02900	2.1
87.10117	1.6
91.05474	30.9
93.06454	2.8
93.07047	56.4
95.04958	9.0
95.08608	98.7
97.06505	7.8
97.10159	7.1
99.04436	2.1
103.05460	2.3
105.07036	77.7
107.04958	2.2
107.08591	92.4
109.06516	6.8
109.09434	3.7
109.10158	57.7
111.08088	4.1
111.11710	2.5
115.05482	3.8
117.07016	16.5
119.04951	2.9
119.08582	96.3
121.06516	7.0
121.10144	66.4
123.08088	7.4
123.11718	19.1
125.06020	2.5
125.09626	11.7
127.03951	1.8
127.11206	1.7
128.06238	2.5
129.06996	8.3
130.07813	3.8
131.08574	40.8
133.10130	72.1
135.08055	7.1
135.11694	29.0
137.06044	2.3
137.09622	6.6
137.13269	4.8
139.07489	2.7
141.06996	1.9
142.07802	6.3
143.08580	16.2
144.09357	3.8
145.06622	1.9
145.10121	78.9
147.04427	6.6
147.08051	4.8
147.11691	48.9
149.09677	9.2
149.13268	33.6
151.07529	2.7
151.11171	4.3
153.01778	2.4
153.09137	5.7
156.09311	4.7
157.10123	29.1
158.10881	3.7
159.08092	1.8
159.11697	60.2
160.12463	2.4
161.09630	4.8
161.13258	37.9
162.02209	6.1
163.11176	5.0
163.14818	37.0
165.09128	6.8
165.12677	2.1
166.45525	1.6
167.10725	3.6
169.10146	5.3
170.10899	3.5
171.08170	1.9
171.11705	22.1
172.12434	4.6
173.09570	2.7
173.13268	59.7
175.11168	8.6
175.14827	59.6
177.09192	1.8
177.12767	6.2
177.16388	56.2
179.04869	6.4
179.10707	3.5
179.14301	2.3
183.11734	6.6
184.12514	2.0
185.13231	17.9
187.14825	63.9
189.12759	6.9
189.16380	60.8
190.16670	1.6
191.14304	31.0
191.17966	17.7
193.12236	3.4
193.15886	7.3
195.11792	2.5
197.13254	4.9
199.14806	29.3
201.13072	3.5
201.16391	64.6
203.14340	30.6
203.17950	100.0
205.15883	56.4
205.19534	7.1
207.13765	2.2
207.17415	4.5
211.14854	4.5
213.16373	32.4
213.18304	2.2
215.14366	4.9
215.17950	20.5
217.12364	2.0
217.15915	10.6
217.19493	4.6
219.17442	22.1
219.20959	1.8
221.15329	21.8
223.16985	5.2
225.16391	2.9
227.17955	9.4
229.15875	5.7
229.19504	11.3
231.13867	2.2
231.17448	17.2
231.21016	3.1
233.15396	2.3
233.18938	2.8
235.13300	4.0
235.16898	10.6
237.16383	2.0
239.18098	2.5
241.19531	3.7
243.17383	2.2
243.21136	2.1
245.19075	2.3
247.17001	14.0
249.18509	13.5
253.19444	1.8
255.21323	2.3
261.18524	6.7
267.21133	2.1
269.22711	1.6
275.20068	5.5
281.22644	3.4
293.22482	2.0
309.92542	2.1
313.94455	1.6
327.23370	4.6
341.24918	3.2
349.28809	1.9
377.32098	4.4
379.33493	3.7
388.79477	1.6
389.32120	15.6
395.33386	14.2
405.31592	1.7
407.33118	44.5
408.33948	1.9
423.32712	13.8
425.34235	34.7
431.85391	2.1
435.32745	34.9
441.33548	4.3
443.35101	5.1
453.27887	2.8
453.33740	52.3
454.33862	2.9
471.25195	9.4
471.35547	19.1
481.61743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3473
Annotation	18alpha-GLYCYRRHETINIC ACID
Peak:m/z	Relative Intensity
52.39357	5.3
52.72207	5.0
55.05509	15.8
67.05507	24.5
68.67905	4.5
69.07069	27.3
69.33855	42.5
69.90521	4.6
72.34256	4.4
76.24850	4.8
79.05493	17.9
81.07053	45.5
81.73119	4.3
83.08607	8.1
91.05485	18.4
92.10858	5.3
93.07048	40.7
95.08609	100.0
96.81956	5.5
97.10172	8.7
97.41778	5.1
98.20696	10.9
105.07037	59.2
107.08608	69.1
107.69540	4.4
109.06580	8.6
109.10155	43.4
111.08125	8.3
117.07008	9.2
119.08590	95.2
121.06495	6.5
121.10151	51.2
123.08071	8.2
123.11710	20.7
129.07059	6.5
131.08537	28.8
133.10115	60.4
135.08089	6.9
135.11696	30.1
143.08586	12.0
145.10124	58.7
147.11726	40.7
149.13292	27.7
153.09076	5.7
157.10141	17.6
157.87791	5.3
159.11691	40.7
161.09592	6.9
161.13249	29.1
163.14854	29.8
171.11700	17.7
173.13243	28.7
175.14842	42.9
177.16394	19.0
185.13243	10.2
187.11273	7.6
187.14827	33.1
189.16379	56.3
191.17953	11.0
193.15903	6.0
199.14818	18.9
201.16365	36.3
203.17972	14.6
205.15770	9.0
210.58000	6.1
213.16420	12.5
215.17926	17.5
217.15892	7.4
225.16360	6.1
227.17943	11.5
229.19437	13.3
231.17537	7.3
241.19545	10.0
247.16914	10.0
249.18497	6.6
253.19461	5.3
261.18594	13.7
267.21127	9.7
269.22604	7.0
287.19901	5.3
299.20288	8.7
303.19382	7.1
304.48929	5.0
377.32150	12.0
389.32025	22.4
407.33041	58.2
423.32498	34.0
425.34338	33.1
435.32724	40.4
453.33807	33.1
471.35040	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	13.6
57.03432	5.1
57.07063	6.1
67.05508	26.8
69.03436	22.9
69.07068	21.3
70.03750	6.3
70.78164	8.2
79.05482	20.2
81.03413	5.5
81.07063	44.0
83.04989	8.2
83.08628	13.3
85.02906	22.9
87.04469	16.0
89.65191	3.9
91.05489	28.3
93.07055	48.3
95.04958	4.9
95.08615	67.7
97.02893	14.1
97.06532	6.5
98.03201	4.9
105.07032	60.2
107.08601	67.1
109.02856	4.5
109.06512	10.4
109.10160	48.1
111.08096	8.7
115.03951	14.7
117.07035	12.9
119.08587	100.0
121.06512	7.9
121.10139	54.7
123.08065	6.9
123.11710	14.2
125.09676	11.8
127.03947	6.3
128.06219	4.3
129.06973	5.6
131.08566	32.5
133.04962	21.2
133.10147	56.7
134.05429	4.5
135.08049	8.2
135.11702	29.6
137.09601	7.7
142.07793	4.7
143.08588	11.6
144.09325	5.3
145.10141	55.5
147.11699	32.6
149.09642	11.2
149.13242	18.6
151.11217	6.8
157.10143	16.0
158.10899	5.5
159.11691	50.1
161.13289	32.9
163.11159	6.9
163.14806	21.8
167.10690	11.3
169.10117	5.3
170.92574	3.9
171.11694	15.1
173.13287	25.0
175.11293	5.8
175.14819	35.3
177.12755	8.4
177.16367	26.1
183.11700	9.8
185.13368	8.2
187.14815	58.3
189.12737	5.4
189.16457	36.3
191.14314	29.5
191.17993	14.7
195.11800	4.3
197.13354	5.2
199.14838	13.9
201.16400	56.7
203.14323	6.0
203.17899	31.5
205.15865	41.4
207.17464	16.1
213.16423	15.6
215.17989	20.4
217.12209	4.3
217.15935	4.7
219.17415	15.9
221.15448	8.8
227.17986	5.1
229.19608	5.9
235.16965	8.1
241.19545	5.9
247.14789	4.4
247.16847	22.6
327.23172	5.7
407.33182	49.3
425.34454	24.4
435.32571	15.8
453.29007	6.5
453.34167	11.1
471.30508	15.6
471.35297	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	471.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36806	3.3
55.05507	12.5
57.07073	3.3
60.45363	2.7
67.05506	22.6
69.03455	4.2
69.07076	19.1
79.05490	20.6
81.03415	4.6
81.07056	42.0
83.04980	3.3
83.08626	7.4
91.05502	17.7
92.07536	2.8
93.07055	35.6
95.04948	4.3
95.08606	63.5
97.06532	3.5
99.08107	4.2
105.07040	51.2
107.07933	5.7
107.08602	56.5
109.10162	26.3
111.08073	6.6
117.07012	10.7
119.08589	70.7
121.06519	4.7
121.10155	45.9
123.08069	6.9
123.11710	9.9
129.07037	7.7
131.08572	31.7
133.10138	46.9
135.08109	7.5
135.11731	25.9
137.09659	8.5
142.07889	4.8
143.08583	15.8
144.09441	4.4
145.10127	44.7
146.88475	2.8
147.08089	4.6
147.11679	32.8
149.09634	5.4
149.13284	19.2
151.07503	3.4
151.11127	5.3
155.08562	4.4
157.10161	22.4
158.11014	3.6
159.08049	4.2
159.11705	41.0
161.09685	5.0
161.13277	29.0
163.11142	8.5
163.14838	12.3
169.10104	5.6
171.11702	28.2
173.09668	3.6
173.13278	24.7
175.11182	7.0
175.14841	32.7
177.09094	5.8
177.12787	6.6
177.16405	16.3
179.14326	4.7
183.11775	4.7
185.13280	13.8
187.14838	42.9
189.12735	4.2
189.16400	32.4
191.14406	3.3
191.17944	3.9
193.16017	4.8
197.13278	4.1
199.11130	4.6
199.14867	13.5
201.12918	3.9
201.16368	50.9
203.14357	5.7
203.17979	23.3
205.15898	29.7
207.11736	3.8
207.17438	11.1
211.14792	5.0
213.16330	10.1
215.14365	4.8
215.17984	14.9
217.12254	100.0
217.15675	5.1
217.19424	4.3
219.17410	11.9
221.15392	3.5
225.16472	3.9
227.17879	7.2
229.19516	9.5
229.50468	4.2
233.15295	3.8
241.19563	8.6
247.17007	10.1
253.19632	4.2
255.21289	3.9
261.18542	3.2
287.20032	9.2
292.12930	3.8
339.08810	3.1
343.04745	3.0
356.19836	2.9
389.31882	8.4
395.29202	5.5
397.24005	3.3
399.26605	3.5
407.33301	24.7
417.27695	9.9
423.32510	4.4
425.34589	21.5
435.28333	45.7
435.33957	5.6
453.28525	14.4
453.34204	13.4
455.11182	3.2
471.30429	24.2
471.35010	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	471.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.1
67.05497	3.6
69.03419	3.9
69.07059	6.3
70.14831	7.1
71.04984	2.0
79.05497	5.6
81.03422	5.1
81.07059	7.7
83.04974	3.6
83.08588	2.1
84.05334	1.4
84.22079	1.3
85.02890	5.2
89.03921	4.6
91.05490	7.4
93.07037	6.2
94.07386	2.2
95.04965	3.2
95.08616	11.0
96.08932	2.8
97.02892	2.4
97.06542	1.6
98.98492	1.9
99.08125	1.9
105.07046	9.0
106.07349	5.6
107.04932	2.4
107.08583	10.9
108.08926	3.9
109.02874	3.0
109.06503	2.9
109.10139	5.3
110.10471	2.6
116.98657	1.9
117.03349	7.2
117.06990	1.7
119.08582	10.3
120.08901	6.1
121.06528	1.6
121.10130	4.9
122.10436	2.3
123.08070	3.2
123.11735	2.7
125.09660	1.6
127.03941	8.2
131.08568	5.8
132.08899	3.6
133.09299	1.6
133.10149	8.5
134.10464	5.6
134.85268	1.5
135.04428	14.5
135.11647	2.7
136.12073	2.2
137.06026	6.8
137.09624	3.5
142.23607	1.4
143.08408	2.4
145.02861	11.2
145.10110	7.5
146.10495	4.0
147.04411	6.6
147.11681	5.0
148.11978	1.5
149.09564	2.2
157.10088	3.5
159.11678	4.1
160.12019	3.4
163.03900	100.0
165.09111	5.2
165.12784	1.5
171.11552	2.4
173.13243	4.5
174.13539	2.9
175.14864	3.8
176.15233	1.5
181.04927	6.8
183.10161	1.5
185.13272	2.8
187.14783	4.8
188.15207	5.1
190.16669	2.1
197.13356	2.5
199.14946	2.4
200.15158	3.0
201.16086	1.4
202.16823	2.5
209.15326	6.2
212.15105	1.9
213.16121	1.7
218.16194	2.0
300.40485	1.6
309.20441	1.4
325.09167	4.8
407.32114	4.4
425.33319	5.4
471.26465	45.2
471.32925	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	471.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	2.0
55.01866	3.0
55.05507	3.6
56.96554	0.9
57.03429	1.2
57.07069	1.2
65.03939	3.3
67.05518	6.2
69.03419	1.6
69.07059	6.0
69.62229	6.7
71.04999	1.2
79.05490	8.8
81.03415	3.8
81.07066	13.0
83.04974	1.1
83.08618	3.3
83.51882	0.9
85.02896	3.0
85.06568	1.6
87.44281	0.9
91.05486	8.4
92.05010	4.7
93.07042	14.6
94.04176	1.0
94.06564	4.4
95.04992	5.2
95.07350	4.1
95.08614	17.0
96.08141	11.0
96.36518	1.0
97.06506	4.9
98.21539	1.8
99.08095	1.2
103.05466	2.0
105.07042	13.9
106.07343	1.3
107.04955	3.1
107.08591	16.0
108.08117	12.8
109.02899	1.2
109.06514	8.3
109.10139	10.3
110.09692	18.6
111.08080	1.6
112.07584	1.4
117.07060	4.9
119.08592	17.4
120.04468	7.8
120.08107	13.3
121.02898	1.4
121.06487	2.6
121.10136	11.2
122.06047	3.7
123.06862	1.0
123.08067	2.1
123.11696	2.8
125.09662	1.5
126.09229	1.0
129.07014	2.1
129.97833	1.1
131.08604	7.5
133.10121	13.0
135.08066	2.8
135.11690	5.8
136.07587	18.5
137.09586	3.5
137.13231	1.2
138.05515	6.5
138.09145	21.9
141.07011	1.1
142.74409	1.0
143.08551	3.5
145.10112	13.5
147.04361	1.2
147.11681	8.5
148.03955	2.1
148.07574	9.2
149.02332	1.1
149.13263	4.2
154.08638	20.0
155.08676	1.3
155.10605	1.3
157.10127	5.6
159.08069	1.0
159.11708	11.6
161.09628	2.2
161.13269	5.2
163.07439	1.1
163.11209	2.7
163.14850	3.7
165.09143	2.3
166.04977	4.1
166.08649	51.5
167.07378	1.1
169.10146	1.7
171.11713	3.7
173.13303	7.5
175.11220	1.7
175.14862	5.6
177.12767	2.0
177.16420	6.5
178.04984	3.5
183.06505	7.9
185.13255	4.4
186.09120	1.7
187.14873	8.7
188.03426	50.9
189.12775	1.5
189.16444	7.9
191.14305	3.7
191.17967	2.7
195.11859	1.1
195.28477	1.1
196.07584	4.2
197.13354	2.3
199.14796	5.3
201.16345	10.9
203.14317	1.8
203.17982	9.6
205.15892	6.8
206.04494	30.8
207.17525	2.9
211.14830	1.9
213.16402	3.4
214.05070	1.9
214.08652	7.9
215.18004	2.6
217.12242	1.8
217.15712	1.2
218.04497	1.6
219.17393	2.5
221.15353	2.6
223.16843	1.3
227.11769	3.7
227.17938	1.7
231.17503	1.7
239.17921	1.2
242.08118	3.0
243.05339	2.8
247.16940	2.6
255.11174	4.4
258.07568	1.8
258.11340	2.3
258.14465	1.3
260.09167	10.7
261.18362	1.3
273.12399	4.4
274.10776	13.6
286.10712	4.6
295.10788	2.5
304.11853	2.9
318.13394	6.9
323.10355	5.3
331.12817	2.2
341.11325	100.0
342.11731	2.7
367.16806	1.2
389.31970	1.6
395.16138	6.8
395.33170	1.3
407.33398	4.9
409.17697	2.8
413.17010	5.5
425.34174	4.6
427.18463	5.5
435.32806	6.7
453.33670	5.9
471.23859	6.4
471.30750	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	471.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82669	0.3
53.03948	0.7
54.36181	0.3
54.50084	0.3
55.01859	0.5
55.05503	1.2
57.03423	0.3
59.04992	0.4
67.05505	3.8
69.03438	2.2
69.07066	0.7
71.04982	0.7
71.50659	0.3
77.59882	0.3
79.05485	1.2
81.03420	4.0
81.07054	2.9
83.05003	1.4
83.05404	0.3
84.30768	0.3
85.02905	2.1
85.54060	0.3
91.05489	2.0
93.07059	1.7
95.04971	0.7
95.08621	3.2
97.02900	1.7
97.06464	0.3
99.04520	0.6
101.06049	0.5
105.07030	1.8
107.04939	0.3
107.08578	3.0
109.02872	2.6
109.06523	1.0
109.10159	6.9
111.08109	0.3
115.05483	0.3
117.07032	0.5
119.08597	2.3
121.10146	2.2
122.07317	0.5
123.08064	0.5
123.11726	0.3
125.06010	0.3
127.03917	100.0
128.04277	0.6
131.08589	0.9
133.10130	11.6
135.08046	1.0
135.11777	0.4
137.06035	0.3
137.09615	18.0
139.79379	0.3
142.95779	0.3
143.08582	0.4
145.04999	0.7
145.10129	0.6
145.53709	0.3
147.04388	0.5
147.11722	0.8
149.09692	0.5
149.13263	1.2
150.06670	0.3
151.11191	0.4
153.01863	0.3
155.10670	1.2
159.11696	0.9
161.13284	0.3
163.11169	0.4
163.14854	0.4
165.09122	9.7
173.13245	1.1
175.11031	0.3
183.10190	0.8
191.14307	5.9
193.08488	0.3
196.13577	0.3
201.11240	1.1
201.16458	0.3
205.12392	0.3
205.15862	0.5
209.15433	1.0
225.16559	0.3
291.19559	0.4
309.13281	0.9
327.14307	1.6
471.21368	1.6
471.25735	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	470.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.8
56.63074	2.2
57.03439	24.3
58.64338	2.5
59.04988	4.7
60.04519	3.8
61.02917	4.8
69.03074	5.1
69.03433	83.5
69.42381	4.2
69.42786	18.0
73.02892	2.2
81.03400	6.1
81.07058	2.7
85.02905	93.7
85.03423	4.6
87.03975	4.1
87.04473	52.4
87.28589	2.3
91.03958	3.5
93.07064	2.8
95.08588	3.1
97.02895	70.2
98.32137	2.3
99.04443	2.5
99.33061	2.6
103.43740	2.3
107.08578	7.6
108.08918	2.4
109.02866	5.8
109.10178	2.7
115.03151	5.0
115.03935	84.6
117.07011	2.2
119.08543	4.2
120.08919	2.2
121.10093	3.1
127.03943	19.2
133.04970	100.0
133.10086	2.8
145.04950	40.2
150.07623	10.2
150.89500	2.2
159.11647	3.3
163.06036	9.3
175.14893	2.6
182.66566	2.2
185.13315	2.6
199.14812	2.9
205.15874	2.3
209.80339	2.7
241.07057	2.8
259.08273	3.3
310.90140	2.3
406.32047	2.6
452.32443	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	470.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02925	3.4
55.05513	4.9
57.10551	3.8
58.82165	3.2
61.21840	3.3
67.05501	16.0
69.07082	20.4
70.02457	7.9
70.02848	7.5
79.05506	7.8
81.07066	16.9
83.04985	4.4
83.08624	4.4
83.40516	3.4
91.05475	11.3
93.07032	13.2
95.08598	23.0
105.07059	23.9
107.08585	20.6
109.10168	11.1
111.08088	4.2
117.07029	8.8
119.08575	34.9
121.10146	20.0
123.08163	3.4
123.11694	6.5
129.06978	9.2
131.08591	15.8
133.10141	23.2
135.08057	4.3
135.11665	10.9
137.09698	7.9
142.07964	3.3
143.08572	13.8
145.10117	18.2
147.11717	18.7
149.13272	9.5
155.08548	6.8
156.09334	6.8
157.10150	16.2
159.11717	23.7
161.09639	7.0
161.13263	11.4
163.14893	8.4
165.12726	6.3
169.10124	12.9
171.11627	22.1
173.13235	18.4
175.11142	4.4
175.14825	10.6
181.10114	5.4
183.11682	11.1
185.02684	3.4
185.13257	10.4
187.14856	11.9
189.16431	5.5
191.14322	4.6
195.11687	10.3
197.13245	13.8
199.14809	14.3
201.12820	4.1
201.16428	9.6
203.14359	5.7
207.11751	4.3
209.13248	6.4
211.14804	16.8
213.16435	8.8
215.17982	7.3
221.13350	4.1
223.14795	5.3
225.16377	9.6
227.17944	9.3
235.14813	4.3
235.17043	4.4
237.16467	7.6
251.18143	5.3
253.19507	9.1
257.18927	4.2
265.19522	14.7
267.21198	14.2
273.67535	3.7
275.20270	4.6
279.21152	4.3
291.20996	5.5
316.88403	4.0
323.97675	4.7
331.24203	4.4
399.30435	15.0
417.31583	31.2
435.32587	100.0
453.33698	77.3
470.35727	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	470.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01870	9.4
57.03170	1.4
57.03436	13.9
58.98566	0.9
59.05000	1.9
61.02929	10.0
65.47819	0.7
67.05489	1.0
69.03429	24.3
69.07085	1.4
70.04010	2.9
71.01336	2.6
71.04985	1.6
73.02542	1.5
73.02921	19.9
79.05495	1.7
81.03425	6.1
81.07056	3.0
83.01321	1.0
85.02906	100.0
87.04468	3.9
90.56789	0.9
91.03964	4.5
91.05502	1.5
93.07047	2.0
93.34433	0.7
95.08608	3.3
96.08960	0.9
97.02895	32.6
97.03508	1.8
99.04459	4.6
103.03933	3.0
104.19271	0.7
105.07021	3.4
107.08590	3.6
108.08880	0.8
109.02881	7.5
109.10156	1.5
115.03937	12.9
119.08589	3.6
120.08922	1.7
121.10167	2.3
123.11703	1.0
125.39293	0.8
127.03912	28.3
132.06526	2.1
132.08928	1.2
133.04971	19.8
133.10107	1.4
135.11644	1.2
139.01349	0.7
145.04962	57.1
145.10091	2.0
146.10455	0.9
150.07634	3.3
157.10132	1.5
159.11653	2.0
161.13220	1.3
163.06021	16.5
173.13274	1.3
174.13666	1.0
175.14781	1.4
176.15118	1.2
187.14818	1.2
188.15181	0.8
189.16435	1.3
195.06374	0.9
201.16405	0.8
204.18309	0.9
219.13960	1.0
220.14073	0.9
223.06064	1.3
241.06874	2.0
259.08047	1.1
424.33063	2.1
434.31702	0.9
452.32700	0.9
470.34158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61367	1.0
57.03441	2.9
69.03428	1.6
69.83705	1.5
69.84122	4.4
71.04995	51.9
75.04495	1.8
80.14806	0.8
83.04987	2.1
85.02909	31.5
97.02916	1.2
98.21422	1.7
99.04436	1.2
103.03988	1.1
111.04469	1.7
127.03947	2.6
127.11201	100.0
129.05473	9.1
129.06212	0.9
135.09106	0.9
145.12244	45.1
147.06485	5.4
184.86197	1.0
199.27272	0.8
260.13824	1.0
317.02954	1.1
353.79086	1.0
370.23816	1.0
396.53848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62901	3.2
55.05494	3.9
61.02927	4.6
67.05518	6.6
69.03427	12.1
69.07064	14.5
71.61536	3.7
80.93908	3.2
81.03424	6.9
81.07046	6.2
85.02905	43.5
91.05468	5.7
93.07008	4.3
95.08612	8.9
97.02891	12.9
98.97523	3.4
99.04479	4.7
105.07034	8.2
109.02880	8.6
109.10166	5.1
110.09653	3.7
111.11729	6.1
116.98639	3.8
119.04967	8.7
119.08563	8.3
121.02859	20.1
124.11253	6.4
127.03893	20.7
145.04968	14.2
147.04411	15.4
147.08057	3.0
153.01834	14.3
154.02209	3.5
162.05505	100.0
163.03891	8.8
163.05957	7.0
163.11249	3.0
168.97852	3.2
174.12753	5.5
182.16017	3.2
186.12746	4.2
189.12697	5.7
202.08594	5.0
202.12294	57.0
230.09666	6.0
230.11775	69.8
233.43118	3.5
248.12840	94.7
258.11301	8.9
262.14362	4.5
276.12338	81.8
290.13907	18.6
308.15359	24.5
315.09436	3.8
329.14539	3.5
356.76172	4.0
469.62048	3.4
470.24426	24.4
471.25650	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	470.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.3
58.22763	0.3
61.02908	0.5
65.03929	0.9
65.24139	0.4
65.49876	0.4
67.05502	1.3
69.03426	1.1
69.07066	1.0
70.33449	1.1
71.04991	3.1
73.15215	0.4
76.02245	0.8
79.05491	0.9
81.03427	0.9
81.07047	1.8
85.02890	0.9
86.09695	1.7
91.05479	9.0
93.07043	2.0
95.08620	1.9
96.08969	0.6
97.02907	0.9
98.20839	0.5
98.97611	0.4
105.07042	2.3
107.08587	1.9
108.08915	0.6
109.02858	0.6
109.06459	0.4
109.10158	1.1
111.59801	0.4
119.04942	21.2
119.08604	2.0
120.08896	1.1
121.10147	1.1
122.10486	0.7
123.11704	0.4
127.03892	0.8
127.11192	15.7
128.87115	0.4
131.08556	1.3
133.10136	1.1
134.10490	0.6
135.11696	1.0
143.08485	0.4
145.10121	1.4
145.12230	2.7
147.04410	100.0
147.11690	0.7
148.04744	1.2
151.11166	0.6
153.01797	1.3
157.10130	0.6
159.11632	0.7
161.13097	0.5
162.02206	0.5
165.05501	1.8
165.09131	0.4
171.11665	0.9
173.13208	0.4
175.14738	0.8
176.15196	0.7
178.05014	0.7
179.04848	1.1
182.91136	0.4
185.13167	0.4
187.14824	0.6
199.14809	0.7
200.15221	0.7
201.16333	0.4
214.16675	0.6
243.27357	0.4
291.08655	1.0
309.09717	4.0
406.31863	1.0
422.31326	0.8
424.32910	0.8
434.31674	0.7
442.45593	0.4
452.32233	1.7
470.33548	1.3
471.25201	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	1.8
53.03938	3.1
55.05510	14.5
56.05038	2.2
56.96568	9.5
57.03419	3.6
57.07067	7.3
59.05001	3.3
61.62140	1.4
62.10215	1.5
63.92337	1.4
65.03932	2.5
66.71221	1.5
67.05511	27.0
69.03442	7.8
69.07072	12.9
69.41032	3.9
69.41442	12.1
70.06579	1.9
71.04980	2.2
73.02916	4.0
74.61788	1.6
79.05501	18.0
81.03409	5.2
81.07063	48.1
83.04984	20.7
83.08613	10.9
84.08139	14.9
84.96032	9.9
85.02896	6.5
85.06542	5.3
85.08472	3.8
86.73783	1.6
87.04498	1.7
91.05484	33.6
93.07048	45.1
93.70366	1.8
95.04958	9.0
95.08604	56.7
97.02884	2.5
97.06525	5.6
97.10202	3.4
98.09705	14.5
98.97578	6.8
99.04422	2.2
99.08092	23.1
99.10028	5.7
105.07037	80.2
107.08597	68.1
109.02868	4.3
109.06512	6.5
109.10163	34.1
111.08080	6.5
112.07557	1.6
113.09578	1.9
115.05408	2.2
116.06247	2.0
116.98616	2.2
117.05509	2.0
117.07027	11.5
119.04922	5.3
119.08587	100.0
120.08914	2.1
121.06503	3.3
121.09296	2.6
121.10151	43.1
123.08085	9.3
123.10938	1.9
123.11735	18.0
124.11234	5.0
125.09594	5.4
126.09108	2.6
126.12782	3.8
127.03909	15.8
127.09527	1.7
127.11206	2.0
127.13072	1.6
128.06215	1.8
129.06981	7.5
130.07790	2.7
131.07565	2.5
131.08568	51.1
133.10136	64.2
135.08057	3.3
135.11708	21.3
137.05907	2.2
137.09633	4.6
137.13303	2.8
139.07555	1.7
139.11180	4.9
141.06955	2.1
142.07779	7.1
142.12251	4.7
143.03252	1.7
143.08586	21.9
143.12637	3.7
144.09406	3.0
144.13818	5.0
145.10129	69.8
145.14227	2.1
147.04416	14.1
147.08072	3.5
147.11690	47.8
147.59489	1.7
148.04784	4.0
149.09541	3.8
149.13255	13.9
151.07541	3.4
151.11159	3.7
153.01830	17.6
154.02173	2.2
155.08542	4.1
155.14293	2.2
156.09305	4.7
157.10136	24.4
158.10857	6.7
159.08022	2.3
159.11687	46.5
160.13338	3.6
161.09596	5.5
161.13235	22.0
163.07585	2.9
163.11176	5.0
163.14842	7.9
165.09117	2.4
165.12787	1.9
167.06905	1.9
168.13841	5.6
169.10080	9.1
169.14159	4.8
170.10898	4.4
171.11674	20.9
172.12468	3.1
173.13272	37.6
175.11299	2.2
175.14809	31.5
177.12900	2.1
177.16374	15.8
181.08575	2.2
181.10062	2.2
182.10931	1.9
182.99670	3.8
183.11710	8.9
184.12410	2.2
185.11771	3.0
185.13266	28.6
186.14957	9.9
187.14839	75.7
189.12817	3.9
189.16386	21.2
191.14351	6.3
191.17946	3.3
195.11732	2.5
197.13293	9.9
199.14828	36.9
201.00726	5.8
201.12709	1.9
201.16400	41.3
203.14340	12.6
203.17975	6.0
205.15877	54.8
207.11852	2.2
207.13710	1.9
207.17387	4.0
209.13326	2.5
211.14832	9.6
213.16415	17.2
215.14322	4.5
215.17961	6.4
217.15863	15.4
217.19456	1.6
219.01849	2.6
219.17450	15.5
221.15367	2.1
223.14824	3.5
225.00658	5.0
225.16374	6.4
227.17923	4.7
229.00165	3.4
229.15822	5.5
231.17441	5.9
233.15327	3.3
237.16379	2.5
239.18021	3.5
241.19502	5.4
243.01738	4.4
243.17657	2.6
245.15450	3.5
247.16895	2.1
249.14685	2.5
251.17972	3.4
253.19531	4.1
255.17323	2.4
255.21051	4.3
263.09598	2.0
265.19672	1.8
267.21069	3.7
277.19412	2.2
281.22437	2.3
283.20657	4.7
287.05518	60.2
288.05908	8.0
289.18246	2.8
300.03885	3.0
307.19138	2.1
317.22662	2.1
335.23804	2.7
343.01227	2.6
351.26712	6.0
361.02530	11.9
379.03381	3.7
387.30450	3.2
389.12622	3.2
393.31473	6.4
395.32935	2.5
399.11035	2.5
405.31564	31.5
407.33054	5.4
417.12247	2.7
419.09659	14.7
420.10022	4.0
423.27393	2.3
423.32678	26.1
423.37982	3.4
431.13797	3.5
433.31198	6.2
439.31995	5.3
451.31998	14.4
469.14212	2.8
469.23734	36.8
469.33020	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	469.3317
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
51.68753	1.7
53.03939	4.2
55.05516	16.3
57.07067	4.0
65.03938	1.7
67.05502	18.1
69.03445	1.7
69.07075	11.7
69.44758	4.2
69.45181	8.4
79.05502	22.8
81.07063	41.0
83.04987	19.7
83.08634	12.4
85.06535	3.7
91.05490	23.1
93.07053	45.5
95.04979	8.5
95.08615	56.0
97.06528	3.7
97.10172	3.9
99.08092	17.3
103.05454	2.2
105.07038	69.2
107.08604	64.8
109.06538	7.6
109.10161	30.7
111.08090	6.8
115.05437	2.4
117.07021	9.3
119.08587	100.0
121.10149	52.2
123.08066	5.4
123.11718	20.8
125.09650	5.3
127.03925	7.4
129.07037	9.0
130.07759	3.2
131.07573	2.5
131.08580	61.4
133.10141	63.5
135.08046	3.9
135.11697	21.3
137.09636	4.6
137.13251	2.2
141.06973	2.9
142.07791	6.3
143.08578	24.9
144.09323	5.6
145.10129	73.7
147.11703	43.9
149.09599	3.6
149.13319	9.7
151.11186	7.0
155.08539	4.5
156.09337	3.5
157.10155	33.3
158.10886	3.0
159.11697	50.9
161.09619	4.0
161.13263	21.9
163.11253	3.3
163.14833	12.5
169.10158	9.2
170.10931	3.0
171.11719	19.4
172.12401	1.9
173.13268	39.2
175.11217	2.9
175.14824	28.3
177.12770	2.3
177.16365	12.8
181.10165	3.3
182.10966	1.8
183.11748	11.1
184.12482	3.7
185.13271	30.7
187.14825	72.9
189.12738	3.6
189.16373	25.4
191.14299	10.5
191.17955	3.6
193.15935	2.5
195.11732	2.8
196.01045	1.7
197.13263	11.5
199.14844	40.2
201.16399	48.2
201.18216	2.5
203.14340	16.3
203.17952	7.1
205.15907	44.2
207.17435	2.8
209.13284	5.8
211.14769	12.2
213.16400	23.7
215.14360	5.9
215.17957	11.9
217.15910	12.1
219.17436	14.5
221.15378	2.3
223.15004	3.0
225.16350	8.1
227.17900	7.7
229.15918	5.3
231.17505	8.3
233.15443	4.5
237.16458	3.3
239.18074	4.2
241.19453	8.0
243.17484	4.1
243.21037	2.2
245.15379	4.4
245.18935	2.1
247.16852	2.5
249.14639	2.3
253.19519	3.3
255.21097	2.5
257.18896	3.5
259.17093	2.7
263.17999	2.4
267.21030	5.2
279.66714	1.5
283.20541	5.4
333.25839	3.9
335.23831	3.1
351.26895	6.7
387.30466	5.7
393.31555	3.0
395.33081	3.1
405.31592	44.7
407.33191	9.9
415.29971	2.4
423.32535	30.4
424.33188	2.1
433.31113	11.1
439.32074	4.3
451.31998	16.6
469.23990	6.7
469.33133	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	469.331
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
53.03950	5.0
55.05510	16.2
57.07068	3.7
58.69102	2.2
59.04991	2.1
63.17957	1.8
65.03945	2.7
67.05511	19.8
69.03414	5.2
69.07078	15.0
69.62574	4.5
69.62999	7.9
70.06572	2.8
71.05006	4.0
79.03104	1.8
79.05495	23.6
81.03435	2.2
81.07059	49.5
83.04983	21.6
83.08620	12.6
84.08141	15.8
84.96044	4.0
85.02898	7.2
85.06526	5.0
85.08468	4.0
91.05479	31.5
93.07053	43.6
95.04949	8.2
95.08038	3.6
95.08605	55.3
96.08942	1.9
97.02898	3.6
97.06525	4.2
97.10164	2.5
98.09685	24.3
98.97571	4.9
99.08076	11.8
99.10031	6.7
103.03959	5.0
103.05468	2.8
105.07032	77.1
107.08595	75.4
109.02858	2.7
109.06506	7.5
109.10153	35.9
111.08091	4.2
115.05399	2.5
117.05468	8.6
117.07011	12.3
118.05851	2.3
119.04925	4.7
119.08579	100.0
120.05326	2.4
121.06470	2.8
121.09296	3.4
121.10144	50.8
122.06129	1.8
123.08065	8.3
123.11712	15.2
124.11205	4.8
125.06010	2.5
125.09618	6.7
125.37134	1.9
126.09148	3.5
126.12782	4.3
127.03909	9.5
127.11205	8.2
128.06129	2.3
128.11514	4.5
129.07004	8.5
130.07776	2.4
131.08569	48.9
133.10130	64.5
135.08043	4.0
135.11687	19.4
137.09625	5.6
139.11159	5.6
142.07770	4.7
142.12265	6.6
143.08585	21.6
143.12614	3.6
144.09303	3.8
144.13821	8.3
145.10121	63.6
145.14133	6.3
147.04404	17.6
147.11684	41.8
148.04716	11.0
149.09607	4.6
149.13248	11.6
151.07550	2.5
151.11142	5.7
153.01808	10.0
153.09048	3.8
155.08559	4.3
156.09300	5.7
157.10123	23.6
158.10855	4.8
159.11687	49.4
160.13324	6.2
161.09557	5.1
161.13257	24.7
163.11122	3.2
163.14806	9.9
169.10149	6.6
170.10925	3.5
171.11703	15.8
172.12404	3.8
173.09653	2.4
173.13268	36.8
175.14819	28.1
177.12750	3.0
177.16388	13.2
183.11676	10.8
184.12482	4.2
185.13252	37.8
186.14969	3.0
187.14828	67.4
189.12762	3.6
189.16380	26.9
191.14328	9.9
191.17964	4.0
195.11790	2.3
196.12469	2.4
197.13234	10.4
199.14836	27.0
201.12598	2.5
201.16379	48.8
203.14305	19.2
203.17899	8.3
205.15871	46.0
207.17552	2.7
209.13319	3.0
211.14842	6.8
213.16341	22.0
215.14316	3.5
215.17928	10.5
217.15898	14.1
219.17412	16.7
221.13412	2.4
223.14694	3.1
225.16344	5.0
227.17911	5.1
229.15828	5.3
231.17474	5.6
233.18919	2.8
239.17943	4.3
241.19557	4.6
243.17378	8.7
245.15338	4.7
247.16931	4.1
249.14720	9.2
253.19543	3.6
259.17084	2.8
267.21130	4.8
277.17972	2.3
283.20523	2.8
287.05490	17.1
289.17889	2.5
307.18762	3.2
333.25885	2.9
377.32303	2.1
387.30402	3.5
405.31525	34.7
407.33096	5.4
419.09543	3.2
423.27368	3.1
423.32602	35.5
433.30908	6.1
439.31641	4.1
451.32062	17.9
469.23563	18.3
469.33069	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	469.3316
Annotation	Euscaphic Acid F
Peak:m/z	Relative Intensity
50.44300	4.9
55.05499	12.8
57.78224	4.6
67.05501	10.5
69.07055	15.9
70.65504	9.0
74.28778	3.8
79.05484	11.7
81.07057	25.5
84.90578	3.8
91.05476	10.3
93.07050	26.8
95.08615	33.4
98.20795	4.4
105.07028	41.5
107.08600	26.8
109.10157	16.6
110.35020	4.6
111.08169	4.7
117.07059	7.4
118.19802	4.8
119.08591	100.0
121.06482	5.8
121.10164	32.6
123.08046	6.3
123.11645	7.3
129.07016	5.8
131.08572	28.4
133.10136	41.5
135.11679	16.4
143.08559	18.0
145.10143	56.4
147.11681	17.6
149.09692	4.8
149.13237	11.0
157.10152	32.7
159.11703	43.4
161.09575	11.2
161.13248	13.7
163.14832	5.2
163.29936	3.7
167.08659	4.4
169.10150	8.5
170.10854	5.2
171.11652	18.3
173.13264	41.0
175.11180	10.9
175.14798	41.6
177.16367	9.2
181.10109	5.7
183.11769	9.3
185.13170	11.1
187.14828	43.6
189.16406	19.7
191.14287	4.9
193.15977	5.1
197.13237	14.9
199.14830	24.6
201.16380	31.4
203.14240	8.8
203.17929	9.2
205.15805	5.7
209.13290	7.9
211.14833	10.0
213.16367	18.7
217.15851	12.5
223.14861	8.0
225.16411	6.0
227.17850	6.2
229.19635	5.0
231.17476	6.4
235.16972	48.5
247.16957	7.7
249.18555	7.5
253.19408	5.8
255.21208	5.1
265.19342	4.0
272.69159	4.5
327.23386	4.6
387.30530	33.1
405.26581	6.3
405.31573	89.6
423.32639	64.8
424.32895	5.9
433.31113	6.8
451.32339	21.0
469.33356	41.5
487.57617	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	469.3313
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
50.40860	3.2
53.03936	4.6
55.05511	12.6
61.40063	4.0
66.59451	3.7
67.05504	21.6
69.03428	29.2
69.07051	13.7
69.50898	29.9
79.05505	24.5
81.07059	55.2
83.08613	7.5
83.29631	3.3
91.05487	29.2
93.07043	52.1
95.04959	27.4
95.08601	66.5
97.06529	10.6
98.72855	3.5
99.04447	9.9
105.06384	6.3
105.07029	76.6
107.08599	70.1
109.06512	7.0
109.10153	30.8
117.06976	9.8
119.07769	6.9
119.08578	100.0
121.10134	56.5
123.08032	7.3
123.11691	12.3
125.09657	4.7
129.06960	5.1
131.08583	38.3
133.10136	61.6
135.08113	4.5
135.11700	21.0
137.09653	3.5
138.89308	3.8
142.07756	5.5
143.08559	33.2
145.10124	67.7
147.08057	8.9
147.11693	33.1
149.09596	9.9
149.13257	10.5
153.09129	6.6
156.09360	5.2
157.10139	38.9
158.10928	7.0
159.11696	41.6
161.09645	4.4
161.13269	44.4
163.14778	10.8
169.10152	5.5
171.11705	27.1
173.13243	32.8
175.14815	22.8
177.09065	4.8
177.16365	7.3
183.11688	7.6
185.13266	12.9
187.14819	50.9
189.12682	4.2
189.16382	45.6
191.14278	9.4
191.17932	12.5
197.13243	5.6
199.14778	29.4
201.16371	43.5
203.14290	13.1
203.17986	7.7
205.15921	20.0
213.16316	24.0
215.14401	5.4
215.17914	25.5
217.15895	41.0
221.15375	7.1
227.17989	6.0
229.15877	6.7
229.19511	5.7
231.17445	7.9
233.15340	7.1
235.17020	19.3
239.17950	5.6
241.19493	4.5
247.16962	21.7
255.21056	5.0
261.18497	15.2
267.20944	5.7
320.97556	3.6
337.04236	3.7
349.28577	5.6
356.73416	3.6
369.37372	3.6
376.73172	4.2
387.30371	4.2
395.29385	6.4
405.31567	24.4
407.32779	4.4
421.30875	4.9
423.32599	21.6
433.30884	8.0
451.32327	20.9
469.33276	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	469.3315
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
55.05510	18.3
64.67962	3.4
67.05501	21.4
69.07071	19.8
69.53939	20.9
75.93193	3.3
79.05482	22.9
81.07059	51.5
83.05003	21.6
83.08617	10.9
90.43650	3.7
91.05497	26.7
93.07053	40.8
95.05016	7.5
95.08611	63.4
99.08092	14.1
105.07037	64.6
107.08599	78.6
109.06552	8.1
109.10155	34.2
111.08115	5.3
117.06989	7.3
119.08587	100.0
120.08754	4.2
121.10146	55.5
123.08069	8.5
123.11722	20.5
125.09624	10.4
129.07013	7.7
131.08578	48.3
133.10135	55.2
135.11700	21.4
137.09464	4.7
137.13208	3.7
143.08556	23.4
144.09328	4.1
145.10132	67.8
147.11708	41.5
149.13258	11.0
151.11215	9.6
155.08533	5.5
156.09331	8.6
157.10135	31.5
158.10915	5.8
159.11696	52.0
161.13248	23.1
163.11189	4.1
163.14873	6.4
169.10138	12.8
170.10901	5.8
171.11702	26.4
173.13258	37.3
173.25159	3.9
175.14815	30.6
177.16385	8.2
182.11060	4.4
183.11731	16.0
185.13264	37.1
187.14828	52.2
189.16406	24.4
191.14366	9.4
191.17912	5.0
195.11726	5.5
197.13196	11.5
199.14801	46.0
201.12820	4.2
201.16385	51.9
203.14330	23.3
203.17830	4.4
205.15828	21.4
209.13222	4.9
211.14861	15.5
213.16379	31.9
215.14513	4.1
215.17941	10.1
217.15935	8.7
219.17482	24.3
221.13176	4.1
225.16400	5.0
227.17941	7.5
229.15810	5.4
231.17470	8.0
233.15407	8.5
236.65659	4.1
237.16357	5.1
239.17891	8.2
241.19562	7.4
245.15350	8.7
247.16969	4.7
249.14807	7.8
253.19449	5.8
255.21045	4.1
259.16922	5.6
267.21075	14.4
283.20587	4.9
314.08109	3.6
327.02075	3.5
332.03870	3.7
387.30441	8.0
389.31772	4.0
405.31549	57.1
407.33087	14.5
423.32663	27.5
433.31094	15.9
439.32068	6.3
451.32239	27.8
451.77142	3.9
469.33435	32.4
478.39499	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.3316
Annotation	Anhydrobelachinal
Peak:m/z	Relative Intensity
52.84945	1.9
53.03942	2.1
55.05499	8.5
67.05487	7.2
69.07058	6.6
70.55877	4.6
79.05505	11.4
81.07062	20.5
83.08611	3.3
91.05489	11.8
93.07044	25.0
95.04978	3.3
95.08612	36.1
97.06541	3.3
97.10155	2.2
105.07034	38.3
107.08595	34.6
109.10152	16.3
111.08114	4.2
117.07007	3.3
119.08585	37.9
121.06502	2.9
121.10136	20.5
122.10487	1.8
123.08063	2.2
123.11713	6.0
125.09618	5.6
129.06998	4.8
130.07809	2.0
131.08578	18.2
133.10129	28.8
134.69754	1.8
135.08017	4.1
135.11707	16.1
137.09650	3.4
141.07013	1.8
143.08554	11.7
144.09399	2.9
145.10130	27.3
147.11700	19.2
149.09612	3.2
149.13284	9.3
151.11269	1.9
153.09178	2.1
155.08542	3.6
156.09375	3.3
157.10155	15.6
159.11705	21.8
161.09636	4.5
161.13248	11.1
163.11154	2.3
163.14824	8.0
167.17828	2.0
169.10182	4.8
170.10933	3.1
171.11691	12.0
173.09596	2.6
173.13269	14.2
175.11203	3.5
175.14841	31.5
177.16418	5.0
182.10944	1.8
183.11732	5.9
185.13266	10.5
187.14841	16.5
189.12791	4.7
189.16400	11.4
191.14330	5.9
191.17937	2.7
193.15956	2.7
195.11821	3.9
197.13309	7.4
199.14854	19.4
201.12624	2.8
201.16347	10.7
203.14391	5.3
203.17914	12.1
205.15955	5.2
205.19537	2.3
209.13286	2.8
211.14929	5.3
213.16399	8.3
215.14359	5.8
215.17937	3.3
217.15910	7.2
221.15399	3.8
223.14841	3.9
225.16418	4.2
227.17976	7.1
229.15924	3.9
231.17476	5.3
233.15482	5.4
235.16924	4.7
237.16454	3.4
239.17979	6.0
241.19556	6.8
247.17015	6.2
253.19572	4.6
265.19659	2.4
267.21185	3.9
281.22623	3.1
285.18552	4.7
287.20111	2.6
303.19522	3.0
309.22180	4.3
327.23141	2.6
337.21930	2.1
339.23349	2.5
375.30249	2.7
387.30356	5.9
393.31873	3.1
405.31583	18.7
421.31183	10.9
423.32709	15.4
426.84946	2.6
433.30957	9.9
434.31607	2.7
439.32190	8.8
451.32129	64.1
469.33231	100.0
470.33820	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	469.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.05502	4.2
56.42993	1.1
56.96546	1.1
58.08087	1.0
59.30767	1.0
60.05373	1.1
65.03936	1.4
67.05483	6.0
68.00447	1.2
69.03413	4.4
69.07067	5.1
69.50397	8.6
71.04980	4.2
77.92533	1.0
79.05493	9.7
81.03391	3.3
81.07053	14.4
82.10316	0.9
83.04959	4.8
83.08601	1.6
84.08131	2.2
85.02896	4.9
85.06525	2.0
89.03896	4.6
91.05479	7.9
93.07037	10.2
95.04969	3.0
95.08607	15.9
96.89274	1.1
97.02869	2.0
97.06520	2.0
98.09698	2.5
99.08070	1.1
100.11273	1.2
102.47191	1.1
103.05460	2.3
105.07018	13.6
107.04946	2.6
107.08578	14.2
109.02925	2.5
109.06477	2.7
109.10159	10.4
117.03375	8.1
117.07000	2.5
119.04934	2.5
119.08585	13.4
121.06461	2.9
121.10172	9.6
123.08057	2.9
123.11684	3.2
125.09618	3.6
127.03913	4.9
127.11160	8.8
129.06947	1.1
131.04951	1.7
131.08562	5.1
133.06491	16.0
133.10146	9.5
135.04419	13.5
135.08044	4.7
135.11673	4.5
137.05899	2.2
137.09586	3.1
142.12270	2.5
143.08542	3.3
144.09341	1.5
145.02846	12.1
145.10118	10.8
147.04384	6.8
147.08064	1.4
147.11710	6.3
148.04735	3.2
149.09601	2.8
149.13281	2.1
151.07492	1.7
151.11174	1.2
153.01857	1.3
155.08578	1.4
156.09283	1.2
156.13887	1.4
157.10114	4.6
158.10901	1.3
159.11661	7.4
161.09627	2.5
161.13228	3.7
163.03903	100.0
163.07515	2.5
163.11165	3.4
163.14835	2.4
164.79933	1.2
165.12724	1.5
169.10095	2.1
171.11713	4.2
171.13860	1.4
173.13246	5.4
175.14821	5.0
177.16296	1.5
181.04880	3.4
183.11755	2.0
185.13231	4.7
187.14807	7.9
189.12746	7.7
189.16321	2.2
191.14307	6.6
193.15817	1.3
197.13321	1.9
199.14825	3.7
201.16364	6.3
203.14284	3.1
205.15828	3.5
207.13846	3.1
211.14807	2.5
213.16391	3.1
217.15909	1.5
219.17552	2.6
227.18008	1.4
229.15823	1.3
231.17413	1.4
239.17915	1.7
241.19218	1.3
242.95029	1.2
243.17117	1.1
279.64859	1.3
287.11227	1.1
307.08148	5.1
307.12222	1.6
309.91208	1.1
325.09244	5.9
325.12552	1.3
373.72104	1.2
405.31607	5.5
415.32089	1.5
423.32599	2.9
433.31284	2.0
451.31879	3.0
469.19565	45.0
469.33456	3.0
470.22784	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	10.3
57.07067	3.5
59.05008	2.0
60.59163	2.0
67.05502	20.4
67.56378	2.1
69.03445	12.4
69.07071	31.7
70.47168	1.7
70.92975	5.3
71.04984	3.6
74.31450	1.7
79.05482	7.6
81.03409	5.3
81.07055	26.4
83.04974	7.4
83.08607	6.8
85.02894	6.9
85.06548	2.3
86.09723	2.8
91.05460	6.2
93.07059	15.2
95.04969	2.8
95.08607	38.7
97.02898	3.5
97.06536	5.8
98.97591	3.3
99.04462	2.0
99.08082	4.2
104.10745	5.7
105.07026	14.5
107.08598	29.2
109.02869	3.3
109.06508	6.6
109.10165	89.8
110.57442	2.0
111.08067	3.8
115.07490	2.6
118.56824	2.1
119.08587	46.5
121.10149	16.6
123.08088	10.8
123.11691	8.5
124.46181	1.9
125.09588	3.0
127.03886	5.9
131.08556	5.1
133.10139	22.7
135.04413	5.3
135.11703	100.0
136.11972	2.3
137.09618	11.7
143.08588	4.2
145.10100	5.5
147.11664	7.1
149.13312	9.8
151.11189	10.3
151.14803	9.5
153.12642	2.8
157.10120	5.5
159.11685	6.7
161.13312	2.6
165.16438	3.8
169.10136	2.3
171.11725	2.2
173.13297	4.4
175.14845	50.0
184.07149	2.0
185.13425	2.6
187.14787	6.2
189.16429	4.1
193.15892	57.6
199.14841	3.1
201.16336	4.7
208.30519	2.1
211.15041	3.6
211.16924	43.7
213.16417	3.1
241.10715	3.2
259.11880	3.0
305.42776	2.0
405.31232	5.3
423.32715	4.1
451.31927	5.4
469.28259	2.3
469.33481	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	468.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82391	0.6
56.05030	1.3
69.03436	67.2
71.60042	1.0
79.05493	1.0
81.03448	0.7
81.07066	3.8
84.08138	1.4
85.02934	3.1
85.03399	0.7
91.05470	4.4
96.29514	0.6
97.02942	0.7
98.06135	0.7
98.09704	7.2
101.58015	0.7
107.04964	5.9
119.08591	4.6
120.01814	0.6
123.04437	0.9
124.11237	7.5
125.09643	100.0
126.10010	1.0
132.05721	1.4
142.12282	47.6
145.06520	2.7
147.08060	69.3
149.58006	0.6
153.01883	1.7
154.02243	0.6
154.05019	1.0
165.05432	0.6
166.12294	0.8
173.06007	1.1
191.07018	1.3
236.27238	0.6
244.17004	6.5
245.15388	1.1
262.17999	9.8
270.14996	2.7
288.15985	3.6
290.95163	0.6
302.02112	0.6
304.19128	0.8
306.16989	2.8
406.22379	4.5
424.23306	6.3
450.21390	4.8
461.01233	0.7
468.22543	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	468.29
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01591	0.2
53.03945	0.9
57.07060	0.5
62.34858	0.2
67.05508	0.2
67.74957	0.2
69.58606	0.4
69.59015	1.0
77.03911	0.3
79.05497	3.7
81.07066	0.2
83.08590	0.2
89.06022	1.3
90.11201	0.2
91.05460	0.2
93.07050	0.2
95.04966	1.2
95.08569	0.4
98.20709	0.2
103.05470	3.1
105.07033	100.0
106.07373	1.2
108.33189	0.2
121.06474	0.2
131.08560	0.4
133.08597	0.6
133.10089	0.2
142.38535	0.2
145.66109	0.2
147.08051	0.8
147.71927	0.2
155.01224	0.2
165.09131	2.7
166.94424	0.2
177.11322	0.3
209.13284	0.5
225.12758	0.6
241.12355	0.4
251.14355	0.8
253.15912	1.1
269.15387	4.0
283.17557	0.6
301.15790	0.2
314.27765	0.2
345.18542	1.2
468.29147	0.4
468.35339	1.1
469.33160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09401	0.9
53.03954	8.1
55.01876	5.5
61.02924	1.4
65.03935	5.4
67.05502	4.0
69.03403	1.0
71.01344	1.2
71.61009	0.9
77.03928	1.5
79.05492	2.2
81.03408	2.8
85.02326	1.0
85.02882	2.7
91.05478	3.3
93.07057	1.2
95.04972	71.8
105.03411	1.3
105.04520	5.9
107.04948	3.0
108.02097	2.1
109.06507	3.3
110.03638	1.2
119.04920	2.4
121.03982	1.0
123.04434	80.6
125.02325	2.2
127.03903	3.2
127.07551	1.9
133.02850	3.7
133.06514	2.1
135.04419	1.3
137.05975	5.5
140.04695	26.5
147.04419	2.8
149.06001	2.7
151.03883	2.1
151.07571	2.6
152.04674	1.2
153.05470	3.1
155.07034	49.7
163.12953	0.9
165.05455	9.0
167.07047	19.4
167.08403	1.8
177.05510	5.3
179.07100	3.0
180.07805	3.2
181.04974	27.1
181.06422	1.0
183.06537	100.0
184.06938	1.0
193.04967	3.4
195.06496	5.5
197.08113	2.0
207.06535	4.3
208.07338	10.1
209.08104	5.1
225.07600	23.1
226.08463	4.9
227.09071	2.4
359.11096	1.0
460.55951	1.0
469.16708	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93402	1.1
53.03947	8.7
54.06622	1.1
55.01854	3.4
61.02907	1.8
63.92913	1.3
65.03941	3.4
67.05482	4.8
69.03423	1.8
69.92328	6.7
77.03916	2.5
78.87346	1.2
79.05508	2.9
81.07038	3.0
85.02882	3.2
88.01425	1.1
91.05463	3.2
93.03398	1.8
93.07028	1.4
95.04972	71.1
100.11245	1.8
105.03394	1.3
105.04500	3.9
107.04895	1.6
109.02869	1.8
109.06487	2.5
111.04410	1.7
113.02130	1.2
120.08072	2.7
121.06473	1.9
123.04433	76.1
125.02314	2.4
125.05994	2.0
127.03930	6.1
127.07565	1.9
130.06537	1.3
133.02834	4.3
134.95425	1.3
137.05975	5.1
140.04683	23.3
143.03366	1.7
147.04425	2.4
149.05981	1.4
151.03873	3.6
151.07516	1.6
153.01837	13.8
153.05405	3.6
154.02130	5.3
155.02255	4.3
155.07037	50.4
162.37804	1.4
165.05487	8.6
166.06374	1.5
167.07053	20.4
177.05501	6.1
177.73584	1.3
179.07022	3.5
180.07808	3.7
181.04964	28.2
183.06538	100.0
193.04973	5.3
195.06473	3.9
197.08034	1.6
207.06506	3.7
208.07304	8.8
209.08093	7.5
225.07552	22.8
225.09509	2.0
226.08369	5.4
227.09114	4.3
232.07117	2.8
257.09491	1.2
259.07053	1.4
365.61465	1.4
448.93045	1.3
451.32880	2.6
469.17221	25.2
469.34238	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3511
Annotation	2,3-Epoxyphylloquinone
Peak:m/z	Relative Intensity
50.89682	0.6
51.43148	0.6
51.76956	0.6
55.05503	1.7
56.55530	0.6
57.07064	1.3
63.03843	0.7
63.85857	0.6
64.68103	0.6
67.05499	2.6
69.07079	1.0
69.24347	1.0
69.24742	5.7
72.15689	0.6
78.09413	0.6
79.05501	2.1
81.07064	4.4
83.05013	0.8
83.08624	1.0
88.87854	0.5
91.05487	2.2
93.07048	3.4
95.08599	6.7
101.42621	0.5
105.07043	5.6
107.08585	6.1
109.10156	4.8
111.08100	0.8
117.07058	1.2
119.08584	9.9
121.10143	3.7
122.46680	0.7
123.11752	2.2
125.09687	1.1
131.08591	3.3
133.10130	4.2
135.11728	1.7
137.13345	0.5
143.08568	1.1
145.10129	5.7
147.11720	2.0
149.13249	0.8
153.01839	1.2
157.10085	1.3
159.11682	3.7
161.13326	2.0
163.14905	1.4
171.11719	1.0
173.13338	2.4
175.14807	2.9
177.16412	1.3
187.14864	3.2
189.16376	4.7
191.10667	1.3
191.14328	0.8
191.18005	1.0
197.13246	0.9
201.16383	5.9
203.18018	1.0
213.16437	2.2
215.17953	3.2
217.15958	1.2
219.17494	2.4
229.16031	1.0
243.21094	0.7
255.21071	1.2
261.18509	1.7
275.20206	0.7
389.32016	1.1
393.34897	0.6
407.33023	4.8
467.35104	100.0
468.35498	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	467.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.1
67.05511	19.9
69.07060	11.2
71.31496	3.0
71.31835	2.5
75.91869	2.5
79.05505	16.0
81.07051	43.4
83.04543	2.6
83.04986	12.2
83.08604	7.0
91.05486	29.7
93.07050	35.6
95.04958	8.0
95.08608	57.8
98.46670	2.6
103.05450	4.0
105.07035	54.0
107.08598	55.0
109.06520	5.8
109.10155	28.9
111.08102	6.4
117.06998	10.2
119.08578	100.0
119.47440	2.6
121.10149	44.4
123.11700	14.3
125.09625	7.7
128.06186	2.8
131.08574	32.7
133.10129	56.0
135.11703	19.5
137.09583	3.0
143.08562	12.2
145.09007	4.4
145.10117	57.7
145.11238	3.2
147.11700	28.0
149.09679	3.5
149.13269	12.8
153.01836	3.8
157.10110	13.8
158.10934	5.8
159.11699	44.9
161.13251	23.2
163.14861	13.5
169.10144	4.1
171.11716	14.8
172.12459	2.7
173.13310	22.2
175.14832	35.2
177.12845	3.4
177.16386	12.8
183.11755	3.0
185.13269	6.7
187.14835	34.7
189.16396	62.3
191.10658	4.8
191.14246	6.9
191.17967	4.6
193.15871	4.2
197.13289	5.8
199.14861	13.7
201.16380	72.3
203.17982	16.5
205.15857	8.9
211.14806	5.5
213.16368	23.8
215.17978	48.4
217.15898	15.0
219.17439	29.2
225.16287	2.6
227.17950	5.3
229.15884	8.4
229.19582	4.4
231.17404	7.2
233.18938	4.8
239.18114	3.1
241.19557	9.5
243.21027	8.5
249.18488	5.7
255.21127	6.5
259.20563	5.1
261.18542	13.1
263.11530	2.9
267.21130	7.1
275.20001	7.1
281.22644	3.5
311.23651	5.6
330.98096	2.7
351.27197	2.9
389.32120	16.2
407.33105	64.6
408.33014	2.5
435.32642	3.9
437.33969	2.5
449.34433	5.7
467.34988	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	467.3156
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03932	3.3
55.05505	14.6
57.03418	4.7
57.07063	5.8
58.65951	3.8
65.83688	3.1
67.05494	19.2
69.07065	17.1
69.18365	2.9
69.53303	3.3
71.06229	7.0
79.05473	19.1
81.07052	60.5
83.04979	14.5
83.08624	8.8
91.05469	28.0
93.07032	51.2
95.04967	18.8
95.08609	60.6
97.06525	4.5
105.07031	64.4
107.08593	69.3
109.06511	12.3
109.10157	24.4
110.20106	3.2
111.00012	3.1
111.08071	5.6
117.07030	10.5
119.08575	90.4
121.06498	4.0
121.10144	53.0
123.08054	7.7
123.11687	10.8
125.00057	3.1
125.09646	7.4
127.02775	2.9
128.06259	3.3
129.07002	9.1
131.08566	31.0
133.06479	6.0
133.10121	50.1
135.08087	6.5
135.11688	25.5
137.09648	7.9
137.43045	3.1
142.07776	5.1
143.08542	25.2
144.09435	4.6
145.10115	40.0
145.14610	3.4
147.08049	6.0
147.11684	33.1
149.09605	8.6
149.13280	10.7
153.01825	10.5
155.08548	9.9
156.09364	7.1
157.10143	25.7
158.10904	3.5
159.07980	4.3
159.11688	34.5
161.09628	5.0
161.13319	16.1
163.11147	6.5
163.14818	18.9
169.10138	9.3
170.10921	9.1
171.11691	14.4
173.09596	4.2
173.13284	23.5
175.11288	4.5
175.14821	93.8
177.16365	42.0
183.11731	11.2
185.13260	19.8
187.14795	23.3
189.12746	8.5
189.16383	15.8
191.17998	4.8
193.15881	7.0
197.13248	10.8
199.14795	22.6
201.12828	9.7
201.16367	18.8
203.14325	54.7
203.17952	3.7
205.15875	16.2
209.13101	7.8
211.14835	7.6
213.16370	5.2
215.14270	9.0
215.18016	4.8
217.15907	17.6
219.17447	13.2
221.13249	6.7
221.15326	39.6
223.14772	4.1
225.16362	4.4
227.14348	5.0
227.18063	4.1
229.15871	9.9
231.13780	7.5
233.15387	10.4
239.17963	6.6
241.19563	5.3
245.15416	7.3
247.17024	11.2
249.14919	11.2
251.18224	6.8
253.19489	6.8
255.04721	4.0
257.18878	4.2
266.49121	3.1
269.19016	3.4
281.18936	4.6
297.18649	5.3
309.22116	3.8
327.19260	3.5
393.31741	6.6
403.29849	24.1
421.31009	45.4
423.29013	4.1
431.29288	6.1
437.30429	7.8
439.31900	5.3
449.30573	32.6
467.31696	100.0
468.31696	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	467.3157
Annotation	Stellettin K
Peak:m/z	Relative Intensity
53.03939	3.9
54.85974	1.1
55.01859	1.5
55.05499	8.3
56.58994	1.1
57.03439	1.7
57.07082	2.7
57.18341	1.1
61.90504	1.3
65.03942	2.4
67.05504	18.4
67.37811	1.1
69.03431	21.2
69.07064	10.8
69.26399	1.0
70.27227	2.7
70.27619	2.3
71.04985	2.1
71.08619	1.3
79.05495	21.4
81.03406	3.3
81.07057	40.4
83.04982	4.1
83.08614	5.6
86.09698	1.3
91.05474	24.6
93.07045	37.7
95.04967	17.9
95.08607	36.6
97.06526	5.9
98.21391	1.9
99.04453	9.2
105.07029	54.5
107.08589	36.3
109.06512	11.7
109.10149	19.1
111.04414	1.8
111.08095	2.1
115.05434	2.6
117.07027	12.7
119.08578	62.5
121.06501	3.8
121.10146	33.5
123.08066	4.5
123.11695	4.4
125.05997	2.0
127.07549	7.6
128.06201	4.8
129.07013	8.4
130.07800	1.6
131.08565	36.5
133.10132	35.7
135.08061	6.1
135.11699	11.2
137.01566	1.3
137.09595	3.4
141.07016	1.5
142.07767	9.3
143.08548	23.9
144.09338	2.8
145.06483	1.3
145.10115	41.2
147.08046	4.7
147.11682	22.4
149.09634	6.3
149.13245	6.2
151.11148	1.9
153.01819	7.8
155.08539	7.8
156.09340	6.3
157.10133	30.0
158.10846	2.4
159.08086	1.4
159.11687	29.5
161.09642	4.6
161.13242	23.7
163.07565	1.9
163.11205	2.6
163.14833	7.0
165.06999	1.5
165.09193	1.9
165.12656	1.3
167.08571	1.5
168.09399	1.4
169.10132	10.6
170.10910	3.4
171.11676	20.9
172.12512	1.2
173.09642	1.6
173.13251	23.7
173.14651	1.8
175.11197	4.4
175.14812	16.1
177.09174	1.4
177.12735	2.1
177.16391	3.4
180.09439	1.4
181.10152	3.4
182.10939	2.9
183.11690	9.8
184.12497	3.3
185.13274	25.0
187.07654	1.3
187.11307	2.7
187.14822	30.5
189.12749	3.3
189.16342	10.9
191.14284	3.1
193.10091	1.8
195.11746	4.7
196.12473	2.6
197.13263	10.7
199.11322	1.8
199.14799	31.8
199.16542	2.0
200.15317	1.3
201.12770	3.2
201.16397	11.9
203.14232	8.0
203.17979	2.0
205.12085	1.5
205.15923	3.3
207.11798	2.9
207.13785	2.4
208.12543	1.4
209.13210	5.9
211.14839	8.5
213.12759	4.1
213.16380	18.5
215.14323	9.9
215.17966	5.0
217.15858	13.3
219.13760	1.8
221.13409	3.0
221.15398	2.6
223.14865	3.9
225.16362	3.7
227.14473	1.7
227.17992	4.0
229.15886	2.8
231.13803	5.0
231.17441	2.4
233.15396	5.2
235.14825	1.9
235.17062	3.5
237.16481	2.7
239.18001	5.5
241.19527	5.4
243.21165	1.2
245.15521	5.9
247.17007	2.1
249.16473	2.2
251.17946	3.7
253.19510	5.6
257.15387	1.6
259.17010	7.5
265.19543	2.7
267.17554	1.6
267.21069	2.8
269.19116	2.1
277.19714	1.9
287.19852	1.7
291.21201	1.3
299.20108	2.8
307.20618	1.9
311.20255	1.4
315.21030	1.6
347.27414	1.6
373.29041	2.2
385.28888	2.8
391.30133	3.1
393.28030	4.1
403.30087	14.5
419.29694	3.7
421.31027	20.9
428.50122	1.4
431.29395	7.1
437.30518	3.5
449.30536	24.9
467.31622	100.0
468.32242	3.8
475.99103	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01590	0.4
51.02383	1.1
51.90009	0.2
53.36664	0.2
55.01859	0.3
57.89108	0.1
62.56620	0.2
69.03422	0.5
70.05338	0.3
70.05752	0.6
74.72622	0.2
79.01856	5.9
81.03413	0.8
91.22915	0.2
97.02889	1.4
107.01347	1.1
109.02888	0.9
123.00747	0.2
125.02357	3.4
127.03956	0.9
143.02277	0.4
143.03404	7.0
153.01836	100.0
153.02885	5.6
154.02118	0.9
171.02898	0.5
205.04915	0.3
228.28719	0.2
233.04442	0.2
237.04001	0.3
244.78008	0.2
245.18442	0.2
261.03989	0.9
277.03442	0.4
278.03671	0.3
279.04440	0.7
297.06131	0.7
303.01401	0.2
303.62997	0.2
305.01840	0.3
467.08548	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01593	0.3
51.02381	1.1
55.01859	0.4
58.40285	0.2
62.18214	0.2
69.03413	0.6
70.84988	0.5
70.85310	0.3
79.01859	5.8
81.03409	1.1
97.02876	1.2
107.01343	1.3
109.02882	0.9
125.02355	3.2
127.03913	2.0
143.03401	6.7
147.67053	0.3
153.01836	100.0
153.02875	5.5
154.02187	0.9
188.03659	0.3
191.03407	0.7
195.40031	0.3
198.34833	0.3
237.03940	1.5
261.03711	0.3
278.03723	0.3
279.04416	0.8
297.06046	0.5
302.73956	0.3
398.29721	0.3
449.07144	1.5
473.38531	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01599	0.4
51.02385	0.7
53.03951	0.2
55.01880	0.2
55.88084	0.2
69.03423	1.2
70.95609	0.4
71.04976	0.3
79.01856	5.8
81.03418	1.7
85.02910	0.5
87.00842	0.3
89.50824	0.2
97.02901	1.9
99.04423	0.4
100.92337	0.2
107.01311	1.6
107.04987	0.3
109.02888	1.3
113.38319	0.2
115.07506	0.2
123.00769	0.3
125.02350	3.5
127.03928	1.7
143.03406	6.2
153.01836	100.0
153.02873	5.2
154.02138	1.4
164.07100	0.3
165.05496	0.2
171.02882	1.5
207.03050	0.2
223.12282	0.3
224.12675	0.3
237.03972	0.4
251.38344	0.2
253.13321	0.7
254.13702	0.9
267.15094	0.3
268.15219	0.8
287.13901	0.3
297.06070	1.8
300.71655	0.2
304.05109	0.2
305.05829	0.4
305.14905	0.9
326.16296	0.3
327.16483	0.6
467.23196	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61133	1.9
53.03959	2.3
55.05511	10.9
57.03436	2.6
57.07068	4.5
58.53810	2.0
65.58593	2.3
67.05509	20.7
69.03433	14.9
69.07077	16.0
69.41666	17.9
71.04998	3.6
79.05479	4.2
81.03419	10.4
81.07056	24.8
82.10384	1.7
83.04974	11.2
83.08622	7.3
85.02904	11.7
85.06553	3.4
86.09732	2.4
91.05473	7.2
93.07042	15.3
95.01334	29.7
95.04972	5.0
95.08604	33.9
95.09160	3.7
97.02895	6.0
97.06525	4.5
97.10151	4.6
99.04469	2.7
99.08096	3.8
105.07048	15.7
107.08605	31.1
109.02872	8.9
109.06532	8.6
109.10158	93.6
111.08089	4.5
113.02374	35.1
119.08591	45.4
121.10144	18.7
123.08030	10.9
123.11696	13.6
125.09660	2.6
127.03912	11.7
131.08546	3.4
133.10149	21.7
135.11702	100.0
137.06024	2.0
137.09612	13.3
139.11165	3.0
143.03403	3.1
143.08531	2.7
145.10121	7.9
147.11690	6.3
149.13271	6.6
151.07590	1.9
151.11215	9.3
151.14848	14.3
153.01852	25.1
153.12689	2.4
157.10051	4.4
159.11717	3.4
161.09604	3.2
167.07050	2.1
171.11752	2.9
173.13293	5.0
175.14857	41.2
187.14787	3.1
193.15886	65.4
199.14780	3.3
204.53732	2.4
211.15057	1.8
211.16939	45.4
215.17955	2.9
239.05524	3.5
245.63625	2.2
265.67737	2.3
322.02563	2.3
467.26306	8.2
467.31592	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	465.3941
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
53.03925	1.4
55.01866	1.3
55.05263	1.8
55.05513	20.3
57.07072	8.2
61.70539	1.0
67.05511	11.0
69.03438	1.3
69.07069	23.7
71.08622	4.8
79.05481	4.8
81.07057	19.0
83.04979	3.5
83.08620	20.3
85.09677	1.3
85.10168	2.1
89.06029	4.8
89.44851	1.0
91.05466	6.4
93.07042	9.5
95.04945	1.5
95.08614	18.3
97.06586	1.2
97.10176	14.1
100.57050	1.0
105.07023	4.2
107.08601	7.0
109.06535	2.2
109.10159	14.4
109.17659	1.1
111.08069	9.3
111.11724	4.1
119.08593	13.0
121.06505	3.9
121.10144	4.0
123.04413	5.7
123.08063	3.6
123.11689	8.0
125.13330	1.3
131.08591	1.6
133.08588	3.1
133.10149	3.0
135.11696	4.9
137.06003	2.1
137.09612	15.5
137.13261	1.9
139.07536	22.9
145.10178	1.8
147.08055	2.7
147.11713	3.3
149.13245	2.4
151.07495	1.4
151.11171	6.9
153.09132	3.2
157.10139	1.5
159.11717	1.9
161.13214	1.4
164.33365	1.1
165.09117	54.7
165.12692	5.5
167.10617	1.7
173.13269	1.3
175.11131	1.3
175.14803	1.5
179.10716	2.9
179.14333	6.0
183.10287	1.3
191.14354	1.3
193.15919	3.8
201.10419	1.2
205.15990	1.3
207.13815	2.2
207.17427	1.6
221.18947	1.3
227.20071	1.3
235.16911	1.3
249.22244	1.4
259.06052	1.2
345.27856	1.4
352.24899	1.2
353.01309	1.1
401.37775	3.1
419.38669	7.6
421.36798	1.9
429.37308	6.1
447.33609	1.2
447.38354	43.1
465.33316	7.7
465.39413	100.0
466.40125	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	466.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83458	0.3
53.03939	0.3
55.01870	2.4
55.05508	1.4
56.05029	1.0
56.24149	0.3
57.07071	0.4
63.14676	0.4
65.03923	1.1
67.05496	0.8
67.99490	0.4
68.31236	0.4
69.03426	1.9
69.07063	0.6
69.23713	0.4
69.86066	1.6
70.06590	1.6
71.08640	0.8
73.02911	0.5
79.05503	0.5
81.03418	1.9
81.07062	1.4
85.02904	1.3
91.04948	0.7
91.05482	10.3
93.07047	0.6
95.08610	1.6
97.02924	0.7
97.06534	0.4
98.06056	28.6
98.20811	0.5
98.97615	0.4
100.11264	0.8
105.07033	0.5
108.08140	0.4
109.02877	0.8
112.07592	0.5
112.11243	1.5
119.04947	21.1
121.10137	0.5
123.08074	1.4
125.02338	0.4
127.03930	2.3
132.04451	0.6
138.09126	0.6
140.07088	0.4
140.10701	10.8
145.02870	0.8
146.03264	0.4
147.04410	70.3
148.04724	1.4
153.01825	8.0
153.02965	0.8
158.11766	100.0
165.05470	0.9
168.10181	0.5
177.05487	1.0
178.04897	4.6
178.08630	0.6
181.42670	0.4
182.11780	0.5
200.12949	0.5
206.04492	7.9
291.08502	1.4
302.15643	0.9
303.04898	0.6
304.05240	0.9
309.09741	3.5
315.01294	0.5
316.01776	1.2
320.17029	14.5
428.94391	0.4
448.18729	0.5
465.33249	0.6
465.83218	3.7
466.10895	1.1
466.20853	1.5
466.32974	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30911	1.2
53.03926	1.7
60.04524	2.3
60.66035	1.0
69.03428	3.6
69.07077	2.7
69.73949	4.7
69.74355	1.9
70.06594	65.5
71.04995	32.1
73.02906	1.2
79.05508	1.6
81.03417	5.3
85.02901	5.2
86.09686	1.9
86.34697	1.1
88.07634	30.9
91.05474	1.5
91.29356	1.0
93.07056	1.8
94.06576	1.1
96.08116	2.5
97.02898	2.8
97.08929	1.6
98.06049	1.2
98.97601	1.3
99.04459	2.2
100.93126	1.1
109.02890	13.8
112.07597	2.1
114.05605	1.2
114.09128	2.3
114.97983	1.2
115.73383	1.0
116.07085	3.0
119.04933	1.1
120.02843	1.0
122.06037	1.9
127.03916	10.4
130.08646	100.0
134.08127	4.3
140.10706	6.2
145.04951	1.5
147.04399	3.0
153.01828	12.8
158.08150	3.3
158.11772	25.0
176.09184	26.4
177.05502	1.4
204.09909	1.3
218.10236	4.8
222.96300	1.2
233.10489	1.9
242.10229	1.5
249.11258	2.2
252.12593	2.5
267.14957	9.4
284.11343	8.7
302.12360	25.2
303.05038	6.7
304.05347	12.6
304.11646	4.5
320.13403	4.5
326.16278	9.0
366.15228	12.7
466.10785	2.6
466.16763	27.3
466.23102	5.9
467.16013	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3941
Annotation	Certonardosterol D3
Peak:m/z	Relative Intensity
53.03934	2.5
55.05297	1.6
55.05514	17.0
57.07079	8.1
67.05511	8.5
69.07070	23.0
71.04997	1.5
71.08641	5.9
71.73618	1.1
79.05479	3.4
81.07063	16.3
83.04986	2.4
83.08632	16.6
85.06540	1.4
85.10181	3.4
89.06033	6.5
89.37193	1.2
91.05472	4.2
93.07047	10.7
95.04978	1.9
95.08608	17.2
97.05342	1.2
97.06535	1.6
97.10180	16.2
98.20732	4.6
105.07024	5.1
107.08595	5.7
109.06544	2.5
109.10172	14.7
111.08101	7.1
111.11728	4.9
117.07040	1.5
119.08578	14.3
121.06510	3.4
121.10159	6.0
123.04428	6.2
123.08064	4.5
123.11741	6.2
125.09655	2.2
131.08578	1.5
133.08591	2.6
133.10121	4.8
135.11688	7.4
137.06029	1.5
137.09627	15.6
137.13260	2.9
139.07545	28.9
139.11121	1.7
147.08008	2.5
147.11775	1.6
149.09686	1.8
149.13277	2.7
151.07561	4.6
151.11171	5.3
153.09105	3.1
159.11705	1.4
161.13228	1.6
163.07608	1.2
163.11143	1.6
163.14778	1.4
165.09132	52.2
165.12741	5.9
167.10703	1.2
172.65501	1.3
173.13210	1.2
175.14880	1.6
179.10768	1.8
179.14319	5.0
183.10139	1.9
187.14832	1.4
189.12845	1.6
193.15904	4.2
207.13860	1.7
221.19028	2.0
234.73651	1.2
263.23801	1.4
322.49228	1.2
337.57657	1.3
345.27936	2.0
385.29285	2.8
401.37762	3.3
419.38605	7.1
429.37607	8.6
447.38364	42.9
465.33331	10.1
465.39426	100.0
466.39764	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	465.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61732	2.0
53.03953	9.6
55.01867	7.0
55.05255	3.0
55.05511	40.2
57.03439	26.0
57.07071	2.5
62.29841	2.1
65.03928	5.5
67.05507	100.0
67.05867	4.9
69.03424	9.1
69.07072	30.2
69.42416	2.0
70.65013	2.3
70.65362	5.3
71.01363	4.8
71.05000	12.2
73.65661	1.9
79.05499	91.7
81.03421	70.9
81.07059	81.5
81.44949	1.7
83.04987	34.3
83.08623	31.3
85.02419	2.5
85.02906	30.5
85.06535	8.0
87.04490	2.1
91.05483	80.5
93.06454	4.7
93.07049	94.5
94.65756	2.3
95.04974	75.6
95.08606	35.2
97.02871	6.1
97.06539	21.4
97.10181	20.7
99.04453	3.2
99.08114	2.8
105.04544	3.8
105.06371	3.2
105.07035	45.7
107.04971	18.6
107.08598	60.4
109.06541	13.3
109.10155	17.5
111.04425	6.6
111.08092	15.8
113.06063	3.1
113.60760	2.1
115.05418	2.9
117.07021	13.5
118.93535	2.2
119.04937	2.0
119.08590	37.9
121.06502	9.3
121.10150	24.7
123.08110	4.1
123.11727	5.0
125.09631	7.7
127.03931	2.3
128.06203	3.6
128.14304	2.1
129.07011	12.1
130.07794	2.0
131.08562	22.0
133.06519	4.7
133.10147	25.2
134.39001	1.8
135.08051	6.5
135.11696	68.9
137.09641	4.8
142.07779	4.0
143.08575	6.9
145.06488	2.8
145.10126	22.3
147.08076	8.8
147.11714	16.9
149.09621	8.4
151.07524	2.6
153.09064	2.1
157.10133	18.1
159.08102	3.3
159.11691	8.4
161.09653	4.4
161.13286	2.0
163.11205	19.8
163.14914	2.2
165.12778	4.6
169.10136	3.1
171.11662	4.0
173.13306	3.3
175.11172	22.4
181.10246	2.1
181.12274	10.4
185.13258	4.3
187.11177	5.3
187.14818	2.3
193.12250	75.9
195.11798	2.4
205.12251	4.0
207.18011	2.2
211.11292	4.7
211.13298	80.7
219.13820	2.1
223.13264	3.2
255.15939	4.9
267.15912	7.9
303.01385	7.0
303.05032	7.2
329.21289	5.5
351.27097	2.1
355.22607	8.3
373.23828	14.1
419.29736	2.5
421.26074	2.9
447.27200	14.8
465.28592	98.9
466.28702	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	465.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.9
55.05511	6.7
56.96565	2.7
57.03418	1.3
57.07056	1.8
62.72597	1.3
67.05507	8.4
69.03416	9.3
69.07057	6.8
71.04973	2.9
71.60944	1.4
71.61333	1.7
79.05492	7.3
81.03415	7.1
81.07053	18.2
83.04977	3.6
83.08629	1.8
85.02895	5.6
85.06550	2.6
91.05491	11.8
93.07057	10.2
95.01333	9.5
95.04966	3.7
95.08609	9.0
97.02893	3.9
97.06534	3.4
97.10148	3.3
98.97581	4.3
105.07029	12.5
107.04955	6.3
107.08592	27.8
109.02898	5.4
109.06517	7.1
109.10161	10.6
111.08050	1.8
111.11732	1.7
113.02365	11.2
113.09631	1.4
115.05466	1.8
116.98660	3.0
117.07063	2.5
119.04980	1.7
119.08567	10.4
121.06471	3.0
121.10142	15.6
122.07294	5.4
123.08077	4.0
123.11710	3.7
127.03903	5.8
127.11178	2.5
131.08562	5.4
133.10133	100.0
135.08060	12.3
135.11697	4.8
137.06062	2.1
137.09618	52.9
143.08568	3.2
143.87929	1.3
145.04913	1.7
145.10117	5.7
147.04399	6.0
147.08029	1.8
147.11673	6.2
149.09604	2.7
149.13255	10.4
151.07523	2.7
153.01849	2.6
157.10133	4.0
158.99745	2.2
159.11777	2.9
161.09608	3.2
161.13255	1.4
163.11261	1.8
163.14816	3.1
165.09158	2.4
167.07054	1.5
169.10098	2.5
171.11667	3.6
173.13318	6.9
174.53139	1.3
175.11174	2.4
177.12770	1.9
185.13277	2.6
189.12785	2.7
191.14299	50.7
201.12785	1.5
209.15340	3.8
213.16394	1.9
227.17781	1.7
237.02585	1.7
239.05435	2.7
257.06613	1.5
261.23718	1.3
277.03525	1.8
303.01303	3.5
303.04803	3.6
403.20071	1.9
405.07953	9.5
405.20334	5.5
411.29108	1.9
429.29883	5.1
429.43326	1.5
465.09988	1.9
465.15878	1.7
465.24405	6.4
465.30377	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	465.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
63.02374	0.5
69.03435	4.2
69.15779	0.4
70.21518	1.3
70.21942	0.7
81.03400	1.7
81.07040	0.6
85.02895	2.0
89.03917	6.4
91.05479	1.0
93.07022	0.7
97.02885	0.9
99.04446	0.5
109.02872	1.7
117.03382	19.0
127.03919	31.6
134.03625	1.1
135.04425	0.8
137.02325	0.5
137.06006	0.5
138.05501	1.5
138.09132	0.6
145.02849	45.4
147.04366	0.8
149.05984	5.9
153.01840	0.7
161.06009	0.6
163.03889	0.6
166.05029	1.9
177.05473	100.0
178.05890	0.8
180.92180	0.4
186.05453	0.7
189.09134	0.5
195.06512	0.9
244.09460	0.9
245.09822	0.7
246.10004	0.8
257.12906	1.0
272.11487	0.9
285.12384	2.7
287.05438	1.4
303.04956	6.4
303.08197	0.5
303.13370	10.1
321.09726	6.0
339.10837	3.3
381.16504	0.8
465.21014	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1031
Annotation	Isoquercitrin
Peak:m/z	Relative Intensity
53.03950	0.2
65.58587	0.1
67.01865	0.2
68.99799	0.4
69.03407	0.3
69.43304	0.5
69.43734	0.4
71.65261	0.1
77.03915	0.1
81.03416	0.2
85.02892	0.4
89.86514	0.1
95.04967	0.1
97.02891	0.3
103.31377	0.1
105.03384	0.6
105.06936	0.1
109.02863	0.3
111.00780	0.2
120.02100	0.1
123.04437	2.4
127.03956	0.1
129.16231	0.1
133.02855	2.8
151.03911	6.2
153.01830	32.7
154.02176	0.3
157.06439	0.1
205.04936	0.1
219.10268	0.3
257.04269	0.1
261.03986	0.1
271.60547	0.1
287.05536	1.7
292.43033	0.1
303.04990	100.0
304.05328	2.1
465.10239	3.2
465.20557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1033
Annotation	quercetin-3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.03951	0.2
55.01863	0.6
55.74209	0.1
57.03419	0.6
58.95654	0.1
61.02922	1.1
62.53273	0.1
65.03918	0.3
65.76098	0.2
68.99782	0.5
69.03121	0.2
69.03438	2.6
69.61777	0.9
71.04979	0.4
73.02918	0.3
81.03413	1.5
85.02908	7.2
85.03421	0.4
87.04459	0.3
91.03921	0.3
91.05504	0.2
93.03416	0.3
95.04970	0.4
97.02901	2.6
99.04433	0.4
105.07030	0.2
109.02868	1.0
111.00815	0.9
115.53583	0.2
117.03356	0.3
121.02847	1.1
123.00789	0.5
123.04450	0.3
124.52338	0.2
127.03909	2.2
135.04419	1.1
137.02344	3.4
138.05486	0.2
145.02957	0.2
145.04951	1.1
145.06433	0.2
149.02356	0.2
153.01834	3.8
161.05968	1.0
163.03941	0.6
164.82683	0.2
165.01826	1.9
166.02664	0.2
167.07039	0.3
169.01317	1.3
173.05956	0.6
177.05475	0.4
179.03378	0.2
183.02910	0.8
183.04404	0.3
187.03935	0.4
191.03435	0.2
201.05440	1.5
207.10182	0.5
229.04982	3.5
231.02806	0.2
239.03557	0.3
247.06004	0.6
257.04434	2.5
274.04620	0.6
277.03424	0.3
285.03986	1.6
285.12231	0.2
303.04999	100.0
304.05359	2.2
311.91486	0.2
314.85187	0.2
315.04984	0.2
316.81647	0.2
465.09973	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1027
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
51.54889	0.3
52.56305	0.3
53.03942	0.4
55.01872	0.5
55.54771	0.3
57.03431	0.6
61.02907	1.3
68.99784	0.6
69.03431	3.3
69.59283	1.8
71.05004	0.4
73.02908	0.5
81.03418	1.6
85.02412	0.6
85.02904	9.9
91.03930	0.9
95.04990	0.5
97.02887	3.2
98.20779	0.7
99.04433	0.6
101.09879	0.3
109.02882	1.5
111.00800	1.0
117.07010	0.3
121.02869	1.1
123.04409	0.4
127.03902	1.8
127.23380	0.4
135.04419	0.3
137.02335	3.6
139.09818	0.3
145.04951	1.7
145.06454	0.5
149.02286	0.5
153.01814	4.8
161.06029	0.8
163.03920	1.0
165.01831	2.4
173.06036	0.5
183.02911	0.7
183.04396	0.7
187.03914	0.3
195.02985	0.4
201.05447	1.8
207.10313	0.4
219.06645	0.5
229.04955	5.0
229.93733	0.3
247.05952	0.7
257.04428	2.7
274.04880	0.4
285.03897	1.2
303.04987	100.0
304.05338	2.4
410.72665	0.3
465.17126	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
54.37049	0.4
57.03434	1.4
69.03430	5.1
70.90946	1.1
71.01382	0.5
71.04987	0.9
73.02921	2.5
79.32903	0.4
80.20856	0.4
81.03421	4.1
82.47346	0.4
85.02897	4.0
87.04468	1.1
91.05483	0.6
97.02874	0.9
99.04443	1.3
101.02382	0.6
103.05463	1.1
104.90047	0.5
109.02865	1.5
119.04959	0.7
122.82209	0.5
127.03922	9.1
131.04926	1.1
145.62706	0.5
147.04417	0.8
153.01833	0.7
157.02829	1.2
163.03960	0.6
173.02432	0.9
175.03915	2.1
185.02333	2.0
187.03909	4.7
191.03400	1.7
201.01819	1.9
203.03442	3.4
213.01878	3.2
215.03377	3.9
219.02922	1.5
229.01353	1.4
231.02887	18.6
231.05185	1.0
241.01338	3.3
247.02443	1.8
257.00858	1.9
259.02386	29.7
275.01846	3.6
276.02640	2.3
277.03436	100.0
278.03717	2.2
285.00269	1.6
303.01373	33.1
303.04849	1.4
321.02478	1.3
363.03543	3.3
465.06726	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	463.3785
Annotation	CHEBI:70526
Peak:m/z	Relative Intensity
52.21047	18.7
55.05516	40.7
57.07071	37.3
61.39226	15.4
67.05484	35.2
69.07069	49.8
71.08628	31.4
71.62016	24.5
78.06581	20.1
81.07071	100.0
83.04964	19.1
83.08624	49.8
83.97822	17.3
93.07050	32.0
95.08596	58.1
105.06992	28.0
107.08579	48.6
109.10159	42.1
119.08622	38.4
121.10134	46.7
123.11726	25.9
130.51942	17.2
131.08484	26.7
135.11731	23.7
143.08575	24.3
145.10147	38.6
147.11610	25.0
151.07573	20.4
159.11647	20.2
287.76978	18.6
314.46298	18.6
403.35739	22.5
427.35751	35.0
445.36700	66.7
446.36752	22.8
463.31964	50.0
463.40680	21.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.098
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96531	0.4
67.05480	0.3
69.03377	0.2
69.07008	0.5
70.80335	0.4
70.80692	0.3
71.04963	0.1
78.86869	0.2
79.05421	0.3
81.07003	0.5
82.36002	0.2
86.09645	0.7
91.05428	0.5
93.06985	0.4
94.06537	0.2
95.04945	0.2
95.08546	0.3
97.16049	0.1
98.21449	0.2
98.97591	0.8
105.05709	0.2
105.07008	0.4
107.08573	0.2
117.05716	0.4
118.06457	0.3
119.08539	0.3
127.03879	0.2
127.11106	0.7
128.10657	0.6
137.05983	0.2
145.12132	0.2
156.10156	0.2
161.40413	0.2
165.07036	0.2
219.01729	0.3
220.07645	0.2
221.05989	0.2
236.07156	0.2
237.02805	0.3
246.09155	0.6
250.05075	0.2
258.14502	0.2
260.78455	0.2
264.06818	0.2
264.10098	0.7
265.04944	0.4
271.02371	0.3
274.08524	0.2
275.03305	0.6
276.06635	0.2
276.10062	0.2
278.04639	0.2
292.06421	0.3
292.09702	0.8
293.04373	1.9
299.01816	0.6
302.04300	0.2
302.17368	0.2
306.03870	0.2
307.02356	0.6
320.05496	0.5
320.09155	0.7
321.03937	1.4
323.01865	0.5
330.07501	0.2
334.03461	0.9
336.02557	0.8
348.04938	1.0
348.08719	1.2
349.03397	1.3
359.04517	0.2
362.03146	0.6
363.03540	0.2
364.04440	0.3
375.03729	0.4
376.04462	1.3
376.08545	0.2
377.05322	0.4
378.05890	0.3
386.06458	0.3
388.04449	0.4
389.04901	0.2
394.05597	1.0
402.06018	1.2
403.20184	0.4
404.07660	100.0
405.07925	2.1
422.08752	2.9
464.09814	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	464.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
57.03429	1.0
60.04518	1.7
69.03415	3.0
70.06593	61.0
70.89366	1.4
71.04993	35.9
78.40850	0.7
80.56066	0.8
81.03413	5.6
82.06553	0.9
84.08172	0.8
85.02893	3.0
85.12895	0.7
86.06063	0.9
86.09728	1.0
87.00446	0.8
88.07633	30.1
90.26497	0.9
91.05495	1.2
93.07019	0.8
95.67933	0.7
97.02875	2.5
98.06029	2.0
99.04431	1.8
109.02209	1.0
109.02882	11.4
110.09650	1.8
112.07611	1.8
116.07113	3.7
117.05518	1.2
119.04923	0.9
127.03922	9.9
127.11201	1.4
130.08644	100.0
134.08119	3.7
136.07584	1.3
137.06013	1.8
138.05531	0.9
138.09134	2.4
145.04903	1.5
147.04416	2.4
150.09135	0.8
153.01830	1.5
156.10146	2.3
158.08125	5.5
163.11203	1.8
172.95248	0.9
176.09184	25.7
207.57860	0.9
218.10239	3.9
229.15314	0.8
237.85994	0.9
267.15857	1.1
271.62570	0.8
284.11188	7.4
302.12390	19.4
303.01553	1.2
303.04953	9.1
320.13507	3.9
445.55063	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3784
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.03951	3.0
55.05283	2.0
55.05518	19.4
57.07075	10.4
67.05494	4.2
69.03429	1.7
69.07073	16.9
71.08614	2.5
73.02898	1.7
79.05486	5.0
81.07059	11.6
83.04987	45.2
83.08623	12.1
85.10188	2.2
91.05498	7.2
91.07514	1.6
93.07051	14.5
95.04955	1.8
95.08599	9.1
97.06526	2.1
97.10166	5.4
98.21532	2.7
99.08080	2.5
101.98547	1.4
105.07035	4.2
105.31223	1.4
106.96992	1.5
107.08589	6.4
109.06521	4.6
109.10147	5.0
111.08088	5.3
111.11720	2.8
112.76080	1.4
121.06509	27.2
121.10138	3.8
123.08089	4.6
123.11714	3.3
125.05964	2.0
127.07562	10.7
135.08063	12.8
137.05980	2.8
137.09630	5.1
137.13368	1.9
139.07549	63.5
142.72429	1.4
149.09558	2.4
151.07605	2.2
153.09103	6.5
163.07573	13.6
163.11270	1.8
165.09138	5.0
167.10646	2.3
169.08661	3.6
170.32307	1.5
171.13829	22.0
177.09070	1.9
181.08597	15.1
181.12306	2.7
187.15240	1.5
193.37541	1.4
195.10210	2.5
223.13350	2.4
229.15959	2.2
234.97797	1.7
237.14899	3.1
265.17944	2.1
274.88843	1.8
307.22607	2.4
371.66547	1.7
427.35724	2.7
445.36832	67.1
446.37170	3.4
463.31888	10.4
463.37817	100.0
464.38010	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	463.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.5
55.05510	17.9
56.00995	1.6
57.07076	11.7
67.05508	14.9
69.06720	2.8
69.07070	36.8
71.08637	5.5
71.62305	2.4
79.05482	9.7
79.40324	1.5
81.07059	31.0
83.04995	4.0
83.08617	26.1
85.06540	3.2
85.10178	4.6
88.33143	1.6
91.05478	7.4
93.07034	9.0
95.04970	2.3
95.08608	36.0
97.10167	16.1
105.07037	10.0
107.08620	12.0
109.06526	2.7
109.10156	17.8
111.08071	3.0
111.11730	10.2
113.09681	2.1
117.07042	1.9
119.08576	6.7
121.10123	6.3
123.08076	17.6
123.11716	10.0
125.13268	3.6
127.07539	3.9
131.08539	4.8
133.06503	26.6
133.10133	5.2
135.08075	3.2
135.11681	5.2
137.09612	12.8
137.13254	4.7
139.07568	2.3
143.08635	2.3
145.10124	5.1
147.11665	3.1
149.09622	3.0
149.13327	2.6
151.07545	57.5
151.14821	2.4
153.09096	5.7
159.11681	3.2
161.13290	2.0
165.09125	2.7
167.07036	3.1
169.08604	100.0
173.13243	3.3
175.14825	2.6
186.44989	1.7
189.12703	2.1
193.12253	1.8
207.13789	2.3
214.84258	1.7
287.05597	1.8
403.35617	10.5
417.37149	3.4
427.35800	13.5
445.36554	5.1
463.31830	12.9
463.38110	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	463.3781
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
53.09303	0.9
55.01855	1.3
55.05508	13.3
57.07077	28.9
66.22009	0.9
67.05508	8.0
69.06714	1.4
69.07067	21.8
71.08631	23.4
71.61421	1.1
74.94801	0.9
79.05495	5.9
81.06636	1.6
81.07063	19.0
83.04974	0.9
83.08617	14.7
85.10181	12.1
89.39794	0.9
89.79045	0.9
91.05473	4.3
93.07031	6.6
95.04971	1.1
95.08036	1.4
95.08602	15.2
96.09827	0.8
97.06528	3.7
97.10162	8.8
99.04461	4.6
99.08066	1.1
99.11720	0.9
105.07014	5.3
107.04929	1.2
107.08551	5.1
109.06529	11.1
109.10145	7.3
111.04465	1.2
111.08063	1.6
111.11719	5.2
113.13262	1.0
119.08577	3.2
121.06454	2.2
121.10149	4.9
123.08067	9.4
123.11713	3.4
125.05997	13.6
125.09637	1.4
125.13220	1.6
127.07556	41.7
133.10126	2.6
135.08057	3.4
137.05966	2.2
137.09616	3.4
137.13220	1.5
139.07544	100.0
140.07881	1.7
147.08044	1.2
147.11691	2.9
149.05977	4.4
149.09586	2.5
149.13168	0.9
151.07574	5.6
151.08614	1.1
151.11156	0.9
151.14784	1.2
153.09061	1.4
157.10094	1.3
159.11642	1.4
161.09668	1.1
161.13246	2.3
163.07500	2.7
165.09119	2.2
167.07022	5.5
169.08633	1.9
173.13245	1.2
175.14789	1.4
177.09119	13.3
179.10760	1.1
183.35356	0.8
189.12614	1.2
193.12248	1.6
195.10117	1.2
203.14272	1.1
205.12350	1.3
206.12108	0.9
219.13823	1.7
275.20163	1.0
301.28824	4.0
315.30447	0.9
319.26483	1.3
319.29968	9.8
347.33112	14.8
373.31110	5.0
385.34772	1.2
389.37650	0.9
399.36087	2.2
403.35651	2.4
417.37314	17.5
427.35678	2.6
432.84747	0.9
445.30600	2.0
445.36795	39.4
446.37451	2.1
463.31732	1.9
463.37848	26.2
464.38351	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3783
Annotation	Sarcophyton polyhydroxysterol
Peak:m/z	Relative Intensity
55.05517	16.7
57.06821	2.8
57.07076	37.8
61.41319	1.5
67.05517	8.9
69.06717	2.0
69.07070	25.9
69.59844	7.8
69.60254	2.6
71.05006	1.8
71.08275	1.9
71.08634	25.6
79.05474	6.9
81.07059	19.7
83.08617	18.6
85.02793	1.5
85.10191	14.7
91.05466	6.0
93.07024	7.5
95.08097	2.1
95.08609	17.8
97.02887	1.9
97.06503	5.8
97.10179	14.1
98.21471	2.3
99.04416	4.4
105.07048	8.2
107.08566	7.6
109.06538	14.6
109.10162	8.7
111.08086	2.3
111.11670	5.4
119.08582	7.0
121.06525	2.3
121.10116	3.4
123.08083	15.3
123.11687	2.4
125.06002	15.1
125.09618	2.6
126.06727	1.9
127.06602	2.2
127.07552	38.3
131.08548	2.1
133.10104	3.9
135.08020	2.5
135.11658	2.7
137.05957	7.9
137.09555	5.0
137.13197	1.8
137.75960	1.5
139.07541	100.0
145.10109	2.8
147.11662	2.7
149.05948	5.8
149.09628	3.6
149.13145	2.0
151.07552	11.5
159.11618	2.4
161.09683	2.0
161.13275	1.8
163.07526	4.6
165.09085	4.0
167.07025	4.4
177.09099	11.1
179.07059	1.9
185.13197	1.7
189.12682	1.6
193.12263	3.2
207.13812	2.4
215.13983	1.5
225.01187	1.6
235.17010	1.7
249.14856	2.3
301.28787	4.6
319.22360	1.7
319.30023	10.4
347.33011	11.6
361.30701	1.7
373.30997	2.8
385.34357	1.9
399.36133	5.3
403.35321	1.8
417.37326	18.9
427.35532	5.1
445.36804	56.4
463.37842	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	463.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.6
57.07084	10.6
65.42898	1.7
67.05516	13.7
69.07071	36.4
71.08636	6.3
79.05486	8.3
81.07061	26.5
83.08622	24.9
85.06542	3.2
85.10175	3.0
88.02252	2.8
91.05482	6.0
93.07068	5.7
95.08602	31.6
97.10174	19.1
100.06684	1.7
105.07021	7.4
107.08591	7.3
109.10171	16.9
111.11714	8.0
119.08596	4.5
121.10152	3.3
123.08072	11.9
123.11701	11.1
125.13303	2.2
133.06499	20.5
133.10106	2.5
135.11693	2.1
137.05922	2.8
137.09599	16.4
137.13254	4.3
151.07541	55.4
151.14760	2.4
154.51280	1.7
163.14743	2.4
169.08603	100.0
170.09021	2.2
207.13876	2.2
225.10539	1.9
303.80801	1.8
308.82117	2.2
333.36029	2.1
401.37778	2.5
427.35626	7.3
463.31934	2.4
463.38403	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	463.3786
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
53.03947	6.5
55.05515	49.7
57.07087	78.1
57.26575	4.9
59.02025	5.6
67.05511	26.0
69.07075	100.0
69.35243	43.5
71.08638	60.8
79.05492	30.5
81.07069	62.1
83.04971	5.8
83.08628	64.9
85.10181	23.0
91.05499	25.2
93.07051	37.9
95.08617	61.0
97.10191	41.8
103.20542	4.6
105.07033	46.3
107.08601	75.6
109.06540	31.4
109.10158	30.0
111.08095	22.4
111.11733	28.3
119.08589	49.9
121.10152	32.8
123.08079	30.1
123.11706	14.4
125.06004	17.4
125.13267	11.0
131.08588	16.8
133.10136	36.6
135.08060	39.3
135.11714	17.5
137.09625	8.9
137.13269	7.2
138.37233	6.2
139.07509	6.5
139.14867	5.0
143.08539	9.2
144.22325	5.2
145.10123	16.5
147.08032	11.4
147.11684	28.9
148.81450	4.4
149.09669	9.9
149.13303	13.8
151.07547	20.9
151.11179	5.9
157.10043	6.5
159.11670	10.7
161.09662	12.6
161.13245	41.1
163.11230	9.9
163.14822	7.8
165.09038	6.3
167.07047	11.9
171.11723	9.3
173.13269	11.9
175.07562	7.2
175.11191	15.9
175.14842	11.4
177.09111	12.8
179.07083	6.0
179.10730	9.3
181.08591	22.7
185.13264	5.3
187.11136	8.0
187.14885	6.0
189.12767	13.4
193.08675	8.8
203.10780	8.7
203.14386	12.4
205.12224	6.4
217.12204	7.2
219.14052	5.7
221.11761	5.3
231.13794	6.9
235.13271	6.6
237.14847	8.6
249.14798	7.1
259.16956	9.1
259.20447	7.9
263.16360	11.1
291.19751	6.9
305.21188	9.0
307.29855	11.6
319.22690	14.1
333.24408	6.1
357.27774	6.9
357.35202	45.3
375.36411	9.4
385.34561	9.6
389.30209	8.0
399.36380	30.4
417.37222	21.3
427.35757	35.9
445.36786	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	463.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.9
51.23729	0.6
53.03949	4.4
55.01868	3.6
55.05511	18.0
57.03438	6.5
57.07066	2.1
62.03389	0.8
65.03939	3.3
67.05505	83.9
69.03437	0.9
69.07068	25.8
71.04986	6.1
71.12220	1.4
76.62669	0.7
77.03936	1.0
79.05493	53.1
80.05839	0.7
81.03415	4.2
81.07056	100.0
83.04972	7.9
83.08623	17.0
85.06528	4.0
91.05479	31.4
93.07045	70.7
95.04973	7.4
95.08607	25.8
95.09226	1.3
96.08940	0.7
97.06536	12.3
97.10181	2.6
97.96171	0.6
99.08102	3.7
105.04565	1.0
105.07034	10.1
107.04931	1.3
107.08595	40.2
109.06519	4.4
109.10156	4.3
111.08076	10.1
113.09609	1.4
114.82005	0.8
115.20486	0.8
117.07022	9.4
119.06013	0.7
119.08604	3.3
121.05691	0.8
121.06520	2.5
121.10143	20.8
123.08092	1.3
123.11739	3.4
125.09618	1.3
127.07561	0.8
129.07018	1.9
131.08562	12.5
133.10123	11.6
133.11075	1.1
135.08070	1.8
135.11697	14.5
138.59462	0.7
139.11197	2.8
143.08600	0.7
145.10103	1.1
147.11723	1.9
149.09596	1.1
149.13261	46.5
151.11198	1.6
157.10149	1.0
159.11691	19.6
163.11125	1.5
167.14348	1.5
177.12735	9.2
195.13809	21.8
213.14906	2.9
219.13811	1.6
233.15158	0.8
256.15604	0.7
269.17703	0.8
301.50476	0.7
307.74496	0.7
335.97247	0.7
354.06665	0.7
358.16534	1.7
402.66843	0.7
422.61975	0.7
424.27316	0.7
445.29822	1.2
463.30621	63.5
464.31009	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21815	0.9
51.76395	1.0
53.03947	5.4
54.37754	1.0
55.01868	3.9
55.05518	22.0
57.03435	6.3
57.07076	4.0
57.66137	0.9
65.03949	4.5
66.61271	0.9
67.05508	81.8
69.07072	26.7
69.74908	2.3
69.75317	5.3
71.04988	5.4
71.08623	1.8
79.05497	51.2
81.03417	3.9
81.07060	100.0
83.04984	7.2
83.08625	19.4
84.20905	0.9
85.06544	3.9
91.05480	31.2
93.07048	75.2
95.04971	9.3
95.08614	26.4
97.06547	14.0
97.10195	2.1
99.08094	3.5
105.04533	2.7
105.07035	13.1
107.04900	1.4
107.08595	41.5
109.06528	4.4
109.10178	3.7
111.08096	10.4
113.09679	1.5
115.05489	1.5
117.07014	11.7
119.08601	4.2
121.06519	3.5
121.10151	20.5
123.11718	3.2
125.05947	1.0
125.09691	1.2
125.82388	0.9
129.07059	2.2
131.08562	15.5
133.10135	10.9
135.08087	2.8
135.11694	11.7
139.11206	1.9
143.08554	1.3
145.10118	1.6
147.08127	1.2
147.11685	2.0
149.09657	1.8
149.13271	44.4
151.11221	1.6
157.10129	1.3
159.11687	18.0
167.14359	2.2
171.11716	1.2
177.12740	9.5
195.13811	21.3
213.14894	3.6
251.16411	1.1
331.77689	1.3
353.24658	2.0
357.17719	1.2
371.25653	2.4
389.26746	1.8
434.80725	1.2
445.29474	3.0
463.30591	70.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Verbacine
Peak:m/z	Relative Intensity
50.01577	1.1
53.03941	5.1
55.01872	3.4
55.05515	20.5
56.32091	1.3
57.03444	6.1
57.07069	4.1
65.03949	2.7
67.05508	82.1
69.07069	29.5
69.47543	9.5
71.01336	1.3
71.04988	5.0
71.21182	1.2
73.02899	1.3
79.05499	51.9
81.03413	2.9
81.07059	100.0
83.04993	9.1
83.08627	18.4
85.02903	1.2
85.06562	6.0
91.05489	26.6
91.06052	1.4
93.07049	72.4
95.04974	7.3
95.08044	1.6
95.08616	23.7
97.06531	13.7
97.10162	2.9
99.08083	5.0
105.07032	10.7
107.04964	1.5
107.08600	41.9
109.06511	4.2
109.10169	3.6
111.08085	7.6
115.05490	1.4
117.06998	10.8
119.08597	4.9
121.10162	20.7
123.11704	2.0
129.07010	1.7
131.08568	11.5
133.10149	9.1
135.08073	2.1
135.11703	12.6
139.11215	1.5
149.09695	1.7
149.13263	48.3
151.11179	1.6
159.11694	16.7
163.11159	1.9
177.12726	9.1
195.13803	17.7
201.08572	1.2
212.47057	1.2
213.14888	2.9
251.16580	1.6
463.30640	63.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.2
55.01870	6.4
55.05515	31.4
56.96566	3.7
57.03438	10.0
57.07066	2.6
65.03935	6.2
67.05508	98.6
69.03413	4.4
69.07074	35.3
71.04988	5.7
73.02908	3.0
77.03925	2.5
78.93774	2.1
79.05496	68.0
81.03413	3.7
81.07062	100.0
83.04974	8.9
83.08635	18.5
85.02913	3.8
85.06547	4.5
91.05487	99.1
93.07053	68.3
93.42712	2.1
95.04975	14.8
95.08612	45.6
97.02912	3.8
97.06548	10.6
97.10190	5.1
98.97616	2.2
99.08112	3.6
103.05456	5.0
105.04572	3.1
105.07039	89.9
107.04965	5.6
107.08595	42.8
107.20021	1.8
109.06505	9.5
109.10163	17.0
111.08084	6.0
115.05450	6.1
117.07037	41.7
119.08583	47.4
121.06512	8.8
121.10136	28.1
123.08087	6.7
123.11720	3.7
125.09666	3.5
128.06247	5.6
129.07016	27.8
131.08575	70.9
133.06496	5.0
133.10147	28.4
135.08066	6.6
135.11720	14.1
137.09604	4.2
139.11200	2.9
141.07001	9.7
142.07809	2.9
143.08548	26.3
145.06451	4.5
145.10124	44.4
147.08040	8.0
147.11687	11.2
149.09627	7.6
149.13264	13.8
151.11214	3.4
155.08591	15.8
157.10138	19.5
159.08075	3.3
159.11708	19.8
161.09610	4.5
161.13289	4.6
163.11241	3.8
163.14882	2.6
167.08571	5.4
169.10170	14.5
171.11745	12.9
173.13298	6.3
177.12727	4.7
181.04938	2.6
181.10150	7.4
183.11694	10.3
185.13283	8.0
187.14874	6.8
195.06567	5.5
195.11713	6.5
195.13828	6.2
197.13290	9.9
199.14912	5.9
201.12769	3.4
205.12175	2.3
209.08115	2.7
209.13297	5.1
211.14853	7.3
213.12883	2.4
215.14339	4.6
221.13313	2.5
223.09854	3.7
223.14732	3.0
225.16412	4.1
233.15363	3.1
237.11061	3.5
241.15822	2.5
243.10838	2.7
243.17520	2.5
247.16959	5.0
259.16971	4.6
261.18530	3.4
269.10303	3.4
273.18484	4.3
275.20120	2.7
287.20346	2.9
325.25299	9.4
335.23608	11.0
343.26392	15.8
353.24817	37.9
353.29059	4.4
361.27390	2.8
371.25827	65.1
389.26883	50.7
427.28152	3.0
445.29486	66.0
463.30011	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3057
Annotation	Verbacine
Peak:m/z	Relative Intensity
53.03941	5.6
55.01874	3.2
55.05293	1.5
55.05518	19.3
55.05948	1.1
57.03435	8.1
57.07071	2.4
65.03940	3.8
67.05509	79.8
69.03440	1.3
69.07067	26.2
71.01333	1.5
71.04623	1.2
71.04987	6.5
71.08646	1.3
79.05500	54.4
81.03420	3.6
81.07063	100.0
83.04979	10.6
83.08178	2.1
83.08627	17.7
85.06544	5.2
91.05485	31.9
93.07050	75.9
95.04993	7.4
95.08613	24.7
97.06542	12.1
97.10172	3.1
98.21507	2.6
99.04436	1.6
99.08099	5.5
105.07034	12.0
107.08601	43.4
109.06538	2.8
109.10149	4.0
111.08099	8.5
115.05486	2.0
117.07012	11.3
119.08614	3.3
121.10148	25.2
123.11707	3.4
129.06978	1.4
131.08589	11.5
133.10153	9.4
135.08127	3.1
135.11691	10.4
139.11197	2.1
147.11684	3.8
149.13264	53.8
153.09160	1.9
159.11702	18.7
177.12752	11.9
195.13805	15.6
213.14929	1.5
238.14441	1.5
241.07285	1.5
419.95770	1.3
445.29266	1.7
463.30609	77.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02357	1.0
52.78202	0.8
53.03944	5.5
55.01863	3.5
55.05511	18.1
57.03438	7.5
57.07064	2.5
62.28082	0.7
65.03941	3.4
67.05506	75.5
69.03400	0.9
69.06711	1.6
69.07072	25.3
71.04990	4.9
71.31779	1.4
73.02913	1.8
79.05494	54.7
81.03420	3.2
81.07059	100.0
83.04983	7.6
83.08617	16.2
85.02906	1.1
85.06545	5.5
91.05480	29.4
93.07047	73.1
95.04971	9.0
95.08607	26.7
97.06535	15.7
97.10155	1.8
99.04465	0.8
99.08091	4.5
105.04501	1.7
105.07027	11.1
107.04961	1.1
107.08595	40.3
109.06514	3.4
109.10159	3.9
111.08084	7.6
111.11789	1.0
113.06000	1.3
116.41349	0.8
117.07019	10.4
119.06064	0.9
119.08594	4.9
121.06545	1.2
121.10144	20.2
123.11725	2.6
125.09634	1.1
129.07016	1.6
131.08585	14.8
133.10118	11.2
135.08101	2.0
135.11702	11.5
139.11214	1.9
143.08543	1.0
145.10194	0.9
147.11714	2.3
149.09732	1.4
149.13261	48.1
151.11200	1.5
159.11710	16.4
167.14409	1.0
177.12773	8.9
195.13820	18.3
213.14879	4.0
269.17548	1.3
337.69669	1.0
378.54590	0.8
445.30020	1.3
463.30606	64.8
464.30502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07079	0.6
57.91078	0.3
67.05474	0.5
69.03401	1.1
69.07067	0.3
71.01337	0.3
71.12348	0.4
71.12679	0.6
72.79826	0.4
81.03391	1.4
81.07052	0.5
85.02866	0.8
91.05449	0.6
93.07032	0.5
95.04980	0.4
97.02896	0.6
97.06493	0.3
105.07018	0.9
107.04913	0.4
109.02879	2.7
111.08022	0.3
120.08115	0.4
125.05891	0.4
127.03925	10.2
131.04935	0.8
133.02852	5.0
133.10112	0.5
135.09163	1.0
135.67963	0.3
137.05966	0.8
147.04411	1.0
153.01793	1.1
162.07948	0.4
167.07011	0.5
171.07892	1.6
171.78110	0.3
172.05058	1.4
172.08717	2.5
173.09456	1.7
174.10255	0.4
175.03932	0.8
175.08635	0.7
178.04982	0.8
181.85332	0.3
186.06677	0.5
186.10242	0.8
187.07420	10.7
188.08136	1.4
193.04953	1.5
199.07394	6.4
200.08139	1.0
206.04456	1.0
213.10222	0.4
214.09904	0.5
216.07704	1.5
216.10074	4.6
219.29814	0.4
229.07263	0.7
235.26556	0.4
238.58301	0.4
243.04973	0.4
243.08789	19.7
244.09561	100.0
245.10066	2.1
257.10336	0.7
258.05228	5.1
286.04727	11.0
287.05447	0.8
301.07062	30.3
302.07397	0.6
313.06903	0.5
319.08066	0.4
328.74417	0.4
336.15234	0.5
361.15063	0.5
362.13449	2.2
364.13931	0.7
377.14783	0.8
378.15329	8.8
379.16125	51.5
380.16403	1.7
463.21841	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Kaempferide 3-galactoside
Peak:m/z	Relative Intensity
53.06211	0.2
60.06042	0.2
69.70689	1.2
73.36723	0.2
84.37257	0.2
98.21380	0.3
100.75256	0.2
101.66216	0.2
120.08109	0.3
127.03909	0.6
153.01836	0.7
175.04012	0.3
193.04948	1.6
194.14510	0.2
229.05121	0.6
258.05249	17.7
286.04721	37.6
287.05185	0.7
301.07068	100.0
302.07410	2.6
369.20468	0.2
397.26190	0.2
463.12384	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	0.4
71.62067	0.2
76.03316	0.2
79.34124	0.2
119.05032	0.2
137.06030	0.4
140.66483	0.2
147.04390	1.2
149.06133	0.3
149.51338	0.3
153.01886	0.8
169.02568	0.2
229.05032	0.5
242.11739	0.9
257.04468	0.3
258.05249	16.6
286.04730	36.7
287.05078	0.9
301.07071	100.0
302.07361	2.1
400.41019	0.2
463.20554	0.5
472.16653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0695
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.4
64.39728	0.4
69.03428	1.2
70.41420	0.4
70.72897	0.4
71.60085	0.5
85.02897	1.6
97.02901	0.9
98.97606	1.2
101.00899	1.0
109.02846	0.4
110.89423	0.4
116.98644	0.5
119.01935	1.4
120.95422	0.8
127.03886	0.7
131.01894	0.5
132.01778	0.4
138.05504	0.8
138.96422	2.1
143.01907	1.6
145.03474	0.9
145.05038	0.5
155.01857	0.9
156.97476	11.3
161.02968	1.6
162.89417	0.4
167.01863	0.5
173.02937	2.1
174.98569	5.1
180.97476	18.4
182.41306	0.4
182.99074	1.2
185.02950	2.3
187.04463	0.5
192.97482	0.6
193.89865	0.4
194.11807	0.5
194.99083	0.9
197.03052	0.6
198.98544	100.0
199.98653	2.8
201.00177	0.6
203.04041	1.2
210.98573	3.8
211.98572	0.6
213.00081	2.0
215.04126	0.8
216.97600	0.6
216.99583	17.1
218.41960	0.4
222.00154	1.1
222.98578	1.3
225.00119	0.7
228.97549	0.8
228.99614	7.7
234.98552	4.5
239.04347	1.0
240.99600	24.5
241.99765	0.5
245.05121	5.7
247.00668	0.7
252.99638	1.6
259.00711	8.2
263.06171	0.5
264.99567	0.5
271.00742	1.5
275.06061	0.8
277.01755	0.9
281.05493	0.8
282.02362	0.4
283.00677	10.6
284.00726	0.6
292.51105	0.7
294.92972	0.5
301.01703	29.2
301.14743	0.8
302.01794	1.2
319.02771	5.2
320.02979	0.5
342.04388	0.5
343.02750	1.6
373.03604	0.6
403.11203	0.7
424.53311	0.5
432.02637	0.5
463.07074	5.6
463.13077	1.0
463.20215	1.5
464.07297	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.9
57.03429	1.0
61.02925	1.6
66.56600	1.0
68.11829	0.8
69.03441	4.9
71.42935	1.6
73.06554	1.0
81.03422	3.2
85.02892	6.3
87.04466	2.6
89.06031	98.0
90.06375	1.1
97.02872	3.1
106.77756	0.9
109.02898	1.8
124.11240	3.1
127.03934	2.5
133.08603	46.9
152.10735	2.3
164.10707	1.5
165.86121	1.1
177.11230	18.8
177.12668	1.6
193.02702	0.8
195.12289	3.9
221.13875	1.5
239.14975	3.1
247.02484	1.4
264.12354	2.2
283.17517	100.0
300.14514	5.3
303.01349	1.2
319.00891	2.9
416.33951	0.9
462.19952	6.3
463.08362	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	462.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00322	0.6
53.03934	1.2
55.05521	0.6
56.05025	1.4
56.96553	2.4
57.03418	1.8
58.96179	0.5
61.02911	1.9
67.05531	0.6
69.03431	9.3
69.92870	2.5
71.05006	1.2
73.02898	1.9
79.05511	0.6
81.03416	7.9
82.06573	1.3
82.13634	0.5
83.71613	0.5
84.03616	0.6
84.08162	0.9
85.02908	9.8
87.04467	1.5
89.05994	0.6
91.03941	0.6
96.08100	1.4
97.02898	5.2
97.08910	5.3
98.09686	2.2
98.97598	1.1
99.04454	1.2
109.02888	3.9
110.09684	2.5
124.11227	35.5
125.12008	0.9
127.03883	4.1
136.11223	1.0
143.60760	0.6
150.09081	0.6
152.10706	6.1
154.12256	0.8
161.02345	0.9
163.03915	2.1
164.10733	1.0
166.12267	3.8
169.08725	0.5
173.02393	0.8
176.10722	1.3
179.03506	0.6
189.01793	1.4
191.03413	2.4
194.11778	9.2
203.03426	1.0
207.02852	0.7
208.13307	0.7
212.12782	3.8
217.01228	1.5
218.01802	0.5
219.02831	2.0
221.00946	1.1
222.11273	1.4
229.01434	0.9
231.02859	1.4
235.02457	2.0
236.26038	0.6
237.00664	0.7
238.14383	0.7
238.87241	0.6
240.12303	23.2
245.00865	2.1
247.02396	4.3
249.00648	0.8
254.13931	1.2
257.00714	1.2
258.01187	0.6
259.02417	2.0
260.02734	0.8
263.01855	0.8
265.00244	1.0
266.14035	0.5
272.14886	1.3
273.00397	1.8
275.02072	1.4
276.02420	0.9
277.03415	4.6
278.01089	0.6
278.03806	2.0
282.13297	3.1
283.17520	1.0
285.00223	0.9
300.14413	62.3
303.01300	7.1
304.01691	3.2
305.99802	0.7
319.00864	6.5
320.99390	0.6
338.99982	0.7
351.00171	0.9
369.01065	0.7
376.98209	1.4
377.98447	0.9
378.99475	0.6
392.97281	0.8
394.98892	1.4
395.99432	0.8
407.99521	0.6
419.06189	0.8
420.52054	0.6
462.19702	100.0
463.04672	3.2
463.19962	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	462.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	1.5
53.03944	2.3
56.96565	3.6
57.03433	1.4
61.02909	1.5
62.97730	1.0
69.03425	12.1
70.19761	2.5
70.20154	2.4
71.04949	1.2
72.08151	1.3
81.03416	17.9
82.06567	1.3
83.28683	1.1
85.02908	16.3
85.06537	1.2
87.04449	2.6
89.06032	100.0
95.04958	1.2
97.02894	7.6
99.04450	2.1
107.04913	1.2
109.02911	8.2
124.11230	25.2
127.03916	7.0
133.08609	44.3
137.05983	1.2
138.05493	1.8
140.89134	1.2
145.02892	1.6
147.04453	1.3
149.02190	1.4
150.09149	1.1
152.10719	7.7
153.01787	2.4
154.04945	1.2
161.02328	2.0
163.03867	2.7
164.10677	5.8
177.11234	17.5
182.11778	2.4
189.01794	3.1
191.03375	4.8
194.11662	1.2
195.12271	3.7
201.01820	1.3
203.03362	2.7
207.02750	1.9
217.01346	4.7
219.02884	3.4
220.03319	1.5
221.00897	1.7
229.01266	1.3
231.02847	3.5
235.02417	6.2
239.14970	2.9
240.55458	1.1
245.00832	3.5
246.99828	1.0
247.02370	7.6
249.10130	1.2
251.48090	1.1
257.00751	1.9
259.02374	3.9
263.01828	3.1
264.12274	10.8
265.14456	1.6
273.00314	3.4
275.01758	2.9
276.02255	1.6
277.03369	6.1
278.03818	3.1
282.13458	5.7
283.17508	83.4
284.17932	1.7
300.14456	14.8
300.99603	1.4
303.01364	11.3
304.01767	6.0
311.00610	1.8
319.00891	13.9
332.99445	1.5
351.00034	1.8
361.01981	1.7
367.00085	1.3
376.98032	1.4
394.99069	2.3
395.99411	1.9
419.06174	1.9
462.13965	1.0
462.19778	14.2
463.03461	1.6
463.08322	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	462.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53642	0.6
53.03934	0.9
55.01887	1.2
57.03431	1.6
61.02924	1.8
62.70004	0.6
69.03432	8.1
70.06593	1.9
71.61258	1.4
81.03420	5.1
82.06585	2.0
84.08138	1.6
85.02913	20.1
87.04439	1.0
91.05476	0.8
94.06577	2.3
96.08126	1.1
97.02881	5.7
98.09686	2.0
99.04463	1.6
109.02880	2.6
110.09705	1.4
119.40949	0.7
122.06035	1.0
124.11238	98.6
127.03922	5.6
130.06525	1.5
134.09642	1.0
136.07587	2.3
136.11221	7.1
138.05450	0.8
138.09183	1.1
140.07063	1.1
145.04953	2.0
149.08455	0.8
150.09134	1.7
152.10721	27.1
153.01840	7.7
153.02975	1.2
154.04965	5.6
154.12302	0.8
157.07640	6.3
161.09561	1.5
162.09215	0.8
164.07062	2.4
164.10733	50.1
165.11028	0.9
166.08615	3.4
171.02895	1.3
176.10695	3.0
180.10199	4.9
181.11031	3.6
182.11780	33.4
189.01929	0.7
190.08684	0.9
191.03291	0.9
192.10213	1.7
194.11732	1.2
204.10219	3.4
210.11208	1.0
212.12825	1.7
218.11755	3.4
220.09715	1.1
220.13437	0.8
222.07668	2.1
222.11249	2.2
236.12871	1.4
240.08617	2.0
240.12294	5.8
245.00836	1.2
246.11243	1.9
249.09987	2.3
254.13666	2.6
264.12347	44.9
273.00577	0.8
280.08170	1.6
282.13388	44.6
297.06049	0.8
300.14444	100.0
301.14798	2.5
315.07062	1.4
319.00760	2.3
328.07245	0.8
412.74866	0.8
462.19864	1.6
463.05161	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76501	0.9
55.40707	0.8
57.03427	1.6
59.59712	0.9
61.02897	1.6
65.35606	1.0
69.03431	4.9
69.68211	6.8
81.03409	2.8
82.06595	1.5
85.02895	10.3
97.02889	3.5
109.02902	1.7
124.11227	100.0
127.03919	2.1
136.07545	1.1
145.04973	1.3
150.09171	1.7
152.10698	22.5
164.07014	3.0
164.09419	1.9
164.10710	21.2
176.10709	3.8
180.10179	5.5
181.10994	2.0
182.11728	3.0
192.10143	2.5
194.11807	2.1
204.10132	3.5
212.12692	1.9
218.11827	2.3
222.07639	3.7
222.11292	1.5
240.12347	7.3
246.11290	1.5
249.10001	2.3
254.13983	1.7
255.14352	1.0
264.12314	33.5
265.12582	1.2
282.13370	42.2
300.14426	85.6
301.14783	3.0
348.45346	1.1
378.17789	1.1
462.19669	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	462.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.05519	1.1
56.05025	0.2
63.73853	0.2
69.03417	0.7
70.06590	0.2
70.76004	0.5
71.04981	0.3
78.30116	0.2
78.80835	0.2
79.05485	0.8
81.03412	1.6
81.07052	2.1
82.06556	0.4
83.04987	0.4
83.08620	0.5
85.02895	0.7
91.05486	2.8
93.05785	0.3
93.07043	0.4
95.04964	0.3
95.08597	0.3
96.08125	0.4
97.02886	0.9
97.05270	0.8
98.06044	0.6
98.09696	0.4
99.04423	0.3
105.07050	0.3
107.08619	0.3
108.08120	1.1
109.02879	1.2
109.06511	1.5
109.10096	0.2
110.06042	0.9
111.04449	0.5
111.06812	0.6
119.04945	6.1
121.02850	0.2
123.08043	0.2
124.07641	0.3
125.08484	0.3
126.09170	1.1
127.03934	0.7
127.11180	0.9
133.10165	0.2
139.03925	0.6
139.06345	0.9
140.10716	0.6
141.09158	0.2
147.04410	30.4
152.07048	0.8
154.08629	100.0
155.08961	0.8
157.04999	0.5
161.09647	0.2
165.01833	0.3
165.05492	1.0
170.08124	0.8
203.07986	0.2
230.95940	0.2
283.08060	0.3
291.08591	1.5
300.05725	0.4
309.09705	0.9
399.98514	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.9
55.01870	1.8
56.96567	1.1
57.03425	2.0
61.02926	1.9
69.03439	6.3
69.97295	2.3
69.97710	1.6
72.76762	0.7
73.02915	0.7
74.20879	0.6
81.03413	6.7
82.06595	0.9
83.35336	0.6
85.02907	12.3
96.08122	0.7
97.02880	3.9
98.20767	0.7
99.04387	0.8
109.02875	3.9
118.39382	0.6
124.11234	100.0
127.03899	3.2
136.11240	2.0
145.04955	1.4
149.38567	0.7
150.09148	1.2
152.10709	25.4
161.09677	1.1
163.03940	1.0
164.07082	2.6
164.10718	20.2
166.12233	1.5
167.28830	0.8
176.10712	3.6
180.10237	3.9
181.10976	1.0
182.11803	4.2
189.01808	0.7
190.08708	0.8
190.12218	1.3
191.03418	1.3
192.10243	1.8
194.11804	3.1
204.10236	5.1
212.12805	2.7
217.01436	3.2
218.11766	2.8
219.02875	1.1
220.09680	1.5
222.07634	3.1
222.11133	3.2
230.69066	0.7
231.02811	1.0
235.02376	2.4
236.12874	2.1
240.08760	1.5
240.12323	8.7
245.00798	1.4
246.11261	2.8
247.02403	2.6
249.09978	1.1
254.14041	3.4
264.12332	35.7
273.00366	0.8
277.03391	1.3
278.03748	1.0
282.13370	42.9
300.14423	59.3
301.14957	0.9
303.01331	2.8
304.01459	1.3
319.00839	5.8
419.06219	1.0
462.19598	2.0
463.04810	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	462.1031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
59.93980	0.6
60.10904	0.6
69.03422	4.4
69.25626	1.6
69.26029	5.2
71.46478	0.6
72.10231	0.7
81.03419	8.1
85.02897	2.7
95.01331	10.2
97.02884	3.9
98.20731	1.0
99.04435	1.5
109.02867	4.7
113.02366	10.5
124.11214	0.7
126.92368	0.7
127.03909	8.0
132.04445	7.2
152.72658	0.6
153.01807	1.1
170.49574	0.7
175.28197	0.7
178.05000	62.6
179.05341	0.8
187.20706	0.7
206.04492	100.0
207.04813	1.8
214.19040	0.6
239.05513	7.7
242.71021	0.7
289.89957	0.7
341.52075	0.7
439.69101	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3628
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03941	4.2
55.01881	4.4
55.05514	26.9
56.96533	3.7
57.03448	5.0
57.07072	4.3
60.23432	3.1
60.61839	3.6
67.05510	38.6
69.07066	36.9
70.25620	3.1
71.04991	4.8
79.05499	32.2
81.03419	11.6
81.06627	5.8
81.07064	63.3
83.08620	12.9
83.85566	3.4
85.06548	7.2
85.60829	3.1
91.05473	29.5
93.07047	58.3
95.04982	12.8
95.08610	60.8
95.09161	7.0
97.06538	7.6
97.09603	2.9
97.10154	17.6
98.20693	8.3
99.08124	3.4
105.07034	41.0
107.08604	73.9
109.10172	36.5
110.86283	3.2
111.08090	6.8
117.07023	13.0
119.08591	72.4
121.06489	4.8
121.10152	46.5
123.11720	17.5
125.09631	3.7
129.06989	10.1
131.08591	24.4
133.06441	3.4
133.10135	44.1
135.11684	37.0
137.09579	3.9
137.13298	4.1
139.11165	12.4
143.08546	8.1
144.09335	5.7
145.10132	61.1
147.11699	25.3
149.09625	6.8
149.13266	17.0
151.11188	6.3
153.12762	7.9
154.63330	3.7
157.10124	14.3
158.10957	5.4
159.11693	73.4
161.09627	5.4
161.13272	20.2
163.11169	7.0
163.14818	55.4
169.10135	10.3
171.11691	18.2
173.13283	19.0
175.14812	17.3
177.12773	5.6
177.16412	8.2
179.14317	5.2
181.15877	37.8
183.11700	11.8
185.13266	13.5
186.14101	5.2
187.14780	23.9
189.16408	8.8
191.14275	5.0
191.18054	4.1
193.12300	5.4
197.13223	4.4
199.14835	33.3
201.12683	4.3
201.16394	100.0
203.17947	8.3
205.15918	31.5
207.17406	3.7
211.14804	5.0
213.16400	22.0
215.17953	27.6
217.15904	5.2
219.17451	56.6
225.16447	8.5
227.17944	9.8
233.19073	5.9
237.18562	11.3
243.17467	23.6
261.18527	12.5
269.22684	4.0
269.94940	3.9
277.03427	4.5
281.22720	5.0
303.01340	7.5
316.96695	3.6
349.16730	4.3
369.24423	4.5
389.32104	9.3
399.32568	3.6
406.50317	3.5
407.33124	56.9
408.33105	4.6
425.34171	95.2
443.29034	4.5
443.35315	25.2
461.28949	26.3
461.36185	31.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13342	0.9
55.01884	1.0
57.21382	0.8
61.11285	1.2
69.03424	3.1
69.07063	2.4
69.69187	2.0
69.69600	3.7
79.01849	3.3
81.03423	4.9
85.02905	2.9
94.74987	0.9
97.02898	5.1
99.04441	1.1
107.01311	2.2
109.02872	4.0
125.02346	2.9
127.03903	9.0
143.03395	5.3
147.04437	2.3
153.01833	100.0
153.02733	3.7
171.02917	9.8
297.06107	4.5
315.07089	11.7
364.17865	1.3
461.14313	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02394	1.5
51.79768	1.4
54.64150	1.3
56.66618	1.3
67.05508	1.7
69.03432	4.2
69.07066	2.8
70.05786	6.5
74.40184	1.4
79.01849	2.7
81.03422	5.3
81.07034	1.4
85.02901	4.6
91.05487	5.6
95.08613	3.0
97.02908	5.2
98.21440	2.7
109.02876	3.8
109.10181	7.8
119.04951	7.3
123.43361	1.6
125.02363	4.8
127.03925	47.9
131.58939	1.4
143.03430	4.4
145.90178	1.6
147.04420	28.4
153.01840	100.0
171.02914	10.5
235.31386	1.3
277.53168	1.7
297.06058	4.1
315.07031	10.7
425.76166	1.6
430.01651	1.5
461.13934	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	461.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.0
53.20173	1.7
55.01863	7.4
55.05511	26.7
57.03430	8.2
59.23062	1.6
63.23726	1.6
65.03951	3.4
67.05509	58.5
69.03427	3.8
69.07069	15.5
71.04980	5.7
76.44785	1.7
79.05499	54.2
81.02965	3.6
81.03424	56.8
81.07062	56.1
83.04987	7.9
83.08624	20.4
85.06541	3.4
91.05486	48.4
93.07050	50.6
95.04369	2.6
95.04977	36.7
95.08604	19.5
97.06534	5.7
97.10182	12.5
103.05410	2.1
105.04573	2.5
105.07039	32.3
107.04957	13.7
107.08600	28.0
109.06528	7.6
109.10147	5.1
111.04484	2.1
111.08105	9.0
115.05473	2.0
117.07032	18.5
119.04945	1.9
119.08581	20.6
121.06536	12.9
121.10152	13.9
123.08089	4.2
125.09646	9.5
128.06226	2.9
129.07037	13.5
131.04939	2.6
131.08574	22.7
133.06497	7.0
133.10133	13.6
135.08072	3.8
135.11681	6.4
137.09639	2.9
141.06993	4.3
142.07777	3.0
143.08582	8.4
145.06479	12.3
145.10129	10.0
147.08063	9.5
147.11719	7.2
149.09618	8.1
149.13261	19.0
155.08557	5.6
157.10143	9.0
159.08107	6.0
159.11696	11.1
163.11203	4.8
169.10077	4.8
171.08115	2.1
171.11639	4.6
173.09599	3.0
173.30405	1.9
175.11197	9.0
177.12775	6.0
181.10089	2.6
187.11198	2.4
189.09264	2.0
189.11295	4.2
193.12259	24.7
195.11996	2.7
195.13893	6.2
197.13235	3.0
199.15009	3.5
213.12770	2.6
215.14359	2.2
217.15921	7.2
249.14828	3.3
257.15469	3.0
273.18436	2.2
291.98605	2.1
307.20868	1.8
323.23734	2.6
343.22864	4.9
351.23361	9.5
361.83066	2.0
369.24286	19.7
387.25244	12.6
417.26447	5.8
425.26770	2.9
443.27975	21.4
461.29047	100.0
462.29141	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.4
55.05507	14.8
57.07077	6.7
58.21998	2.5
67.05509	29.4
69.03433	2.6
69.07072	18.3
71.04959	3.2
79.05496	18.9
80.13840	2.7
81.07062	62.3
83.04948	3.1
83.08620	11.2
86.59906	2.9
91.05482	25.3
93.07044	46.3
95.04987	6.8
95.08611	100.0
97.06526	3.8
97.10217	6.8
98.20706	6.2
99.08088	3.2
105.07036	44.2
107.07873	3.1
107.08600	61.3
108.08965	3.6
109.06528	4.6
109.10165	59.7
111.08089	6.9
111.11701	4.8
117.06992	5.3
119.07288	2.9
119.08598	47.9
121.06510	3.7
121.10143	56.4
123.08076	5.1
123.11725	23.9
125.09624	3.9
131.08591	18.6
133.10135	35.9
135.08095	5.6
135.11696	46.5
137.09619	4.8
137.13245	7.2
143.08629	4.2
145.10123	23.4
147.11684	32.2
149.09727	2.7
149.13255	20.7
151.11267	3.4
157.10167	8.9
159.11688	26.2
161.13252	25.8
163.14856	23.1
165.12790	4.5
171.11674	5.7
173.13306	15.8
175.14824	22.9
177.12704	3.9
177.16402	15.7
179.14304	6.9
187.14868	17.4
189.12695	3.0
189.16380	27.6
191.14259	8.0
191.17938	67.0
192.18333	3.4
193.15872	4.6
199.14951	4.7
201.16370	17.0
203.17949	32.4
205.15964	6.7
205.19589	6.7
207.17488	17.6
213.16341	5.4
215.17880	16.6
217.16005	3.9
217.19588	9.3
219.17441	11.5
221.19058	16.7
229.19536	4.2
231.21162	6.4
233.18967	14.0
249.18532	4.2
251.20091	7.3
257.22479	3.1
411.36301	28.6
412.36594	3.2
423.31720	4.6
423.36383	10.1
429.37518	6.2
441.32239	5.7
441.38281	20.6
459.21085	3.6
459.33524	16.5
459.38300	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.8
55.44579	1.5
58.15881	1.6
67.05505	2.0
67.17146	1.4
69.03419	5.6
69.07048	2.6
69.67418	6.5
69.67831	3.9
71.04996	1.9
75.00764	1.5
79.01859	3.3
81.03420	4.7
84.49435	1.7
85.02902	5.0
86.54736	1.4
91.05485	17.1
93.07057	2.3
95.08570	1.7
97.02876	3.7
98.20826	3.1
98.97615	2.4
107.01285	1.5
108.00037	1.3
109.02882	6.3
113.05874	1.6
116.42993	1.6
119.04932	6.8
119.29715	1.6
121.10191	1.8
123.08079	1.6
125.02359	2.1
127.03940	9.4
128.35210	1.4
137.06042	1.6
143.03412	4.7
147.04422	26.6
153.01839	100.0
153.02895	3.6
171.02913	8.4
268.10733	1.6
291.03705	1.7
297.06039	2.9
315.07101	8.2
371.78888	1.9
461.31110	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	459.3833
Annotation	Primulagenin A
Peak:m/z	Relative Intensity
55.05515	6.1
55.27855	1.8
56.05282	1.8
57.07067	2.5
67.05505	7.4
68.50993	2.0
69.07084	9.6
71.04951	2.1
71.62148	2.8
79.05487	6.9
81.07061	17.3
83.08640	2.5
86.09708	7.7
89.36652	2.0
91.05482	11.3
93.07053	13.3
95.08615	24.2
97.10172	4.2
105.07027	10.8
107.08592	19.7
109.10160	16.2
117.07034	3.2
119.08585	20.2
121.10155	14.9
123.08074	8.4
123.11720	8.5
131.08537	5.3
133.10110	14.5
135.11699	15.2
137.09653	2.8
137.13309	2.1
145.10089	13.6
147.11679	11.4
149.13278	6.7
157.10152	3.3
159.11703	9.0
161.13242	8.0
163.14775	7.2
169.02835	2.3
171.11719	2.9
173.13275	6.9
175.14825	9.4
187.14856	5.9
189.16388	11.8
191.17999	3.6
199.14853	2.9
201.16411	9.4
203.17883	9.6
207.17459	14.9
213.16299	3.8
215.17958	14.0
217.19595	5.0
219.17444	9.0
229.19548	3.3
233.18993	9.0
269.22537	2.4
283.24240	2.6
331.26379	15.4
345.27780	12.9
423.36520	10.1
441.37305	100.0
442.37833	4.9
459.21799	9.0
459.32162	7.9
459.38501	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	459.3834
Annotation	Soyasapogenol B
Peak:m/z	Relative Intensity
53.03931	1.6
55.05520	7.7
57.07085	2.7
65.03938	1.3
67.05167	1.4
67.05508	15.5
69.03415	1.2
69.07074	13.1
70.34898	1.2
71.62004	1.9
79.05482	8.5
81.06578	1.6
81.07060	32.2
83.08612	4.8
85.06567	1.3
91.05481	8.6
93.07050	23.5
95.04972	2.9
95.08615	47.2
97.06526	1.9
97.10175	4.5
98.66615	1.0
99.08112	1.3
105.07033	22.4
107.08603	37.4
109.06538	4.0
109.09438	2.3
109.10164	31.8
111.08127	1.8
111.11716	2.1
113.09644	1.1
117.07027	4.1
119.08585	31.2
121.06565	1.4
121.10150	28.7
123.08084	3.0
123.11716	8.8
125.09647	1.8
131.08575	9.9
133.10139	26.5
135.08080	1.4
135.11710	36.7
137.09636	2.6
137.13281	3.2
143.08514	2.6
145.10141	17.6
147.11700	18.4
149.13271	11.2
151.11189	3.9
153.12747	1.4
157.10150	2.3
159.11707	14.8
161.13281	18.5
163.11246	2.2
163.14844	20.8
165.12740	2.8
171.11714	4.5
173.13281	10.6
175.14812	9.9
177.16425	11.4
179.14345	1.6
185.13306	3.4
187.14798	7.6
189.16393	39.9
191.10722	2.0
191.17902	10.9
193.15881	1.2
195.33353	1.1
199.14877	2.5
201.16396	26.3
203.17960	10.8
205.19547	2.0
207.17465	51.4
213.16403	3.2
215.17978	13.8
217.19507	6.2
219.17453	93.9
220.17723	1.8
221.18835	1.8
227.17931	2.5
229.19577	5.7
233.19098	5.6
235.20680	1.8
241.19543	1.9
243.21120	4.1
247.20711	1.5
255.21181	3.5
257.22806	2.1
261.22171	1.2
269.22635	5.7
273.21967	1.9
283.24219	3.9
287.23816	2.7
301.25256	1.4
405.35330	5.9
411.36078	3.0
423.36377	22.5
441.37366	100.0
442.37625	2.8
459.38605	35.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3471
Annotation	Topsentisterol C1
Peak:m/z	Relative Intensity
55.05519	10.4
57.07066	5.6
58.70359	2.1
59.98773	2.0
67.05504	11.8
69.07069	16.7
69.52163	1.9
69.60922	7.5
69.61333	6.5
71.04960	2.3
79.05489	11.9
80.76394	2.1
81.07065	27.5
83.08610	7.4
85.06537	4.3
87.04455	2.8
91.05470	11.0
93.07053	31.9
95.04988	3.5
95.08617	40.3
97.10155	13.6
98.20821	4.4
99.08112	2.6
105.07036	16.1
107.07862	3.1
107.08589	51.0
109.06515	4.0
109.10154	23.1
113.09698	2.7
117.07007	3.0
119.08586	21.3
121.06470	2.5
121.10140	32.2
123.08062	2.7
123.11704	8.0
125.09634	6.2
129.07018	4.3
131.08562	10.6
133.10132	17.6
135.11713	19.4
137.09694	2.7
137.52377	2.1
139.11189	4.8
142.07788	3.0
143.08577	5.8
145.10138	12.4
147.11668	9.7
149.09602	2.5
149.13284	13.0
153.12677	4.1
155.08568	2.5
156.09351	6.0
157.10135	15.7
159.11693	13.3
161.09573	3.3
161.13252	7.5
163.14828	100.0
164.15117	2.3
165.12733	4.1
167.90302	2.2
169.10155	7.0
170.10852	3.9
171.11699	16.3
173.13298	10.7
175.14824	10.2
177.12831	3.5
177.16452	6.6
179.14346	2.7
181.15900	39.6
183.11647	4.8
184.12436	6.2
185.13283	6.8
187.14854	11.8
189.12741	2.4
189.16411	7.2
191.14281	3.3
191.18015	3.2
193.15904	5.7
197.13232	8.7
199.14827	44.4
201.16362	7.6
203.17949	4.4
205.15808	4.1
207.17369	2.5
209.13472	4.1
209.15382	12.2
211.14853	9.4
213.16396	14.5
215.17928	7.0
217.15874	5.3
217.19611	2.8
217.37987	2.3
219.17422	12.6
223.14842	3.3
227.18124	2.7
229.15939	3.4
229.19472	3.4
231.17339	3.1
233.15405	3.0
237.16284	2.2
241.15776	4.3
247.16980	3.3
259.16858	2.9
311.98083	2.2
320.08521	2.3
337.28775	3.8
365.28680	2.3
385.71475	2.0
387.30408	3.4
395.33139	2.7
405.31693	20.0
423.32590	53.5
429.37219	4.3
441.33493	28.2
459.34940	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	459.3469
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
50.78372	0.5
53.03947	1.0
55.01869	0.7
55.05521	3.4
56.96533	0.6
57.03439	0.6
57.07063	0.9
63.55404	0.5
65.03933	0.8
66.69939	0.4
67.05168	0.5
67.05508	7.1
69.03420	0.8
69.07072	5.3
69.23219	1.0
69.23552	5.3
71.04987	0.9
71.08642	0.9
75.68479	0.4
79.05489	7.5
81.03403	1.8
81.07062	13.2
83.04982	1.1
83.08611	4.1
91.05484	7.7
93.07049	11.5
95.04958	2.7
95.08609	17.0
97.06538	1.3
97.10154	1.7
99.08092	0.5
103.05446	0.9
105.07032	13.8
107.04964	1.9
107.08599	18.2
107.31841	0.5
109.06545	3.4
109.10158	9.2
111.08093	1.0
115.05482	0.7
117.07002	3.3
118.98564	0.5
119.08589	14.1
119.36997	0.5
121.06522	2.0
121.10146	12.9
123.08082	5.6
123.11722	2.3
125.09650	1.2
128.06232	0.6
129.06982	1.9
130.07744	0.5
131.08574	11.1
133.10144	8.3
135.08090	3.6
135.11700	4.9
135.34628	0.4
137.09628	1.9
137.13261	1.2
141.07014	0.8
142.07782	0.6
143.08586	4.0
144.09389	0.7
145.06508	0.9
145.10136	12.1
147.08031	1.2
147.11693	10.0
149.09662	2.5
149.13264	4.9
151.11182	1.1
155.08539	0.9
155.14345	0.6
157.10156	4.9
159.11708	9.2
161.09602	1.2
161.13274	4.7
163.11156	1.7
163.14825	7.0
165.09174	1.3
169.10149	1.2
171.11656	2.8
173.09656	0.9
173.13248	7.1
175.11215	2.0
175.14847	3.8
177.12732	1.6
177.16396	3.8
181.10286	0.6
181.12306	0.8
183.11766	1.0
185.13283	3.8
187.14825	11.0
189.12793	1.3
189.16370	2.2
191.14326	6.7
191.17947	1.9
195.11731	0.9
197.13258	1.0
199.14839	2.0
201.12784	0.5
201.16412	6.2
202.18393	0.6
203.14272	2.6
203.17953	3.5
205.15887	23.2
207.13846	0.6
209.13457	1.0
209.15364	3.7
211.14897	0.9
213.16454	1.4
215.14320	1.4
215.17952	2.7
217.15915	0.9
219.17525	2.4
221.15282	0.7
225.16341	0.9
227.17998	1.0
229.15936	0.6
229.19447	0.8
239.18140	0.7
241.19618	0.8
253.19427	0.9
255.21204	1.7
257.22617	0.6
280.26385	1.7
281.22659	0.8
283.20547	0.6
363.25323	5.6
367.22626	1.8
385.23798	1.4
389.26859	5.5
395.33038	1.6
405.31494	2.2
411.32370	0.6
413.34183	1.0
423.32803	2.6
441.25958	0.6
441.33850	5.4
459.34695	100.0
460.35129	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	459.311
Annotation	CHEBI:68037
Peak:m/z	Relative Intensity
53.03965	6.8
55.05500	23.8
57.07072	7.7
65.84523	6.7
67.05501	42.0
69.07050	27.5
70.65715	9.0
70.66064	14.6
71.04991	9.1
74.04342	7.9
79.05515	30.4
81.03386	6.0
81.07047	53.2
83.04972	8.5
83.08625	16.9
85.06534	11.5
91.05491	38.5
93.07049	61.5
95.04948	12.0
95.08607	80.5
97.06531	14.9
97.10165	8.8
105.07037	65.9
107.08595	87.4
108.06738	5.7
109.06491	20.4
109.10179	52.8
111.08081	6.4
117.07021	9.0
119.08585	94.5
121.06520	10.9
121.10155	71.7
123.08047	20.0
123.11700	19.1
129.06969	10.1
131.08575	50.5
133.10146	57.3
135.08063	13.1
135.11705	39.0
137.09651	10.2
137.13182	8.5
143.08549	16.7
145.10147	63.9
147.11710	41.1
149.13251	24.6
153.09062	7.2
155.08554	16.7
157.10091	13.6
159.11678	39.6
159.94804	6.6
161.09601	12.9
161.13240	36.1
163.11107	6.8
163.14853	29.5
169.10146	7.1
171.11639	18.3
173.13246	31.1
175.11212	7.9
175.14796	25.6
177.16348	11.6
179.14291	13.8
183.11714	13.0
185.13240	13.6
187.14830	94.8
189.16406	39.5
191.17973	18.5
193.15991	7.6
199.14841	16.5
201.16360	39.8
201.87755	5.6
203.14296	15.1
205.15912	15.0
207.13748	10.3
207.17349	7.5
213.16325	14.5
215.17914	8.0
219.78488	6.4
225.16330	18.9
227.17990	9.0
231.17519	7.5
233.15421	7.3
233.61115	6.9
235.16890	6.9
247.17049	8.6
285.18381	10.7
296.33786	7.5
332.29236	8.8
369.27817	12.8
377.28241	18.4
379.25879	7.4
395.29437	51.4
405.31699	8.2
423.32559	26.9
441.28799	10.9
441.33731	29.7
459.29587	6.4
459.35052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.6
60.11834	0.4
68.76432	0.5
69.03416	0.8
69.63946	3.4
73.06528	1.4
79.05508	0.7
81.03410	0.8
85.02907	0.9
85.85914	0.5
87.04475	6.0
89.06036	100.0
90.06386	0.5
90.60703	0.5
91.07626	0.8
97.02879	0.8
107.04929	0.6
107.07069	1.3
109.02896	0.8
117.09143	1.0
125.05887	0.5
127.03923	14.9
130.08675	0.7
131.07068	2.1
133.08611	49.7
135.04427	1.3
139.03854	0.7
153.05511	1.2
159.51595	0.5
175.09718	0.6
177.11230	12.1
195.12325	0.5
221.13928	1.0
239.87064	0.5
318.09906	0.6
459.27951	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.3
55.01872	7.8
55.05256	1.5
55.05513	28.4
55.39952	1.1
57.03455	6.5
57.33805	1.2
63.84617	1.2
65.03925	2.0
67.05506	35.6
69.03423	4.6
69.07066	10.2
70.14745	5.1
71.04980	3.0
75.49794	1.2
79.05042	2.5
79.05492	39.0
81.03419	94.9
81.07055	30.0
81.07507	2.1
83.04973	8.6
83.08618	21.3
85.06535	2.7
85.97319	1.2
87.61629	1.1
91.05481	38.6
93.07043	24.9
95.04967	33.2
95.08604	13.6
97.02902	3.1
97.06537	5.0
97.10177	14.1
98.20851	1.5
103.05460	3.1
105.07038	31.8
107.04963	17.9
107.08592	15.2
109.02887	1.8
109.06557	7.2
109.10159	9.2
111.04466	3.1
111.08083	10.7
115.05452	5.5
117.07017	10.2
119.04971	2.6
119.08585	20.8
121.02860	1.3
121.06518	13.8
121.10151	9.7
123.04427	1.9
123.08042	5.8
123.11728	1.4
125.09621	10.0
125.61012	1.1
128.06261	3.3
129.07014	20.4
131.04895	6.6
131.08580	19.8
133.06516	9.3
133.10126	10.3
135.08011	5.7
135.11703	2.3
137.06003	2.6
137.09619	5.1
141.07002	4.7
142.07797	3.7
143.08582	7.3
144.05736	2.0
145.06487	25.3
145.10150	8.6
147.04405	1.3
147.08063	8.9
147.11676	8.5
149.09605	6.9
149.13240	1.4
151.07518	2.9
153.07170	1.2
153.09142	3.6
155.08568	4.7
157.06534	6.8
157.10143	12.8
159.08073	5.6
159.11673	2.3
161.05998	4.8
161.09628	4.0
163.11209	3.4
165.09119	10.9
167.08563	3.2
169.06534	2.3
169.10191	3.7
171.08054	7.1
171.11760	3.4
173.09616	3.2
173.13301	1.8
175.07619	1.9
175.11183	14.1
181.10124	1.6
183.08095	2.3
183.11723	3.2
185.09633	3.3
185.13303	2.7
187.14836	1.9
189.09196	1.2
189.11221	5.3
189.12807	2.3
193.10426	2.6
193.12238	50.3
195.08076	2.0
195.11703	3.9
197.09645	2.5
197.13318	3.0
199.11212	3.1
203.14247	1.5
205.12219	1.3
209.09641	1.9
209.13283	2.6
211.11270	2.4
213.12802	3.5
215.14337	2.9
217.12225	1.3
223.11331	1.6
225.12862	2.3
227.14363	3.0
231.13849	2.3
233.15390	4.7
237.12704	4.8
239.14561	1.1
245.15405	1.8
249.14908	4.2
255.13786	5.9
257.15396	2.0
273.14850	19.1
273.17731	1.4
281.15216	1.8
287.16431	3.2
299.16470	2.9
305.69730	1.4
311.16660	1.7
321.22089	1.5
323.20065	1.8
339.23190	4.7
347.18283	1.3
349.21603	16.3
354.57397	1.6
357.24338	6.0
367.22678	41.2
368.23105	1.6
385.23730	36.6
403.24731	9.0
405.24219	1.7
415.24890	1.5
423.25159	2.4
441.26508	5.4
459.27463	100.0
459.60925	1.2
460.27780	4.9
481.28610	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38403	2.1
53.03941	4.1
55.01872	5.9
55.05518	15.3
55.07364	2.7
59.04994	10.5
60.63631	2.6
67.05498	24.8
68.53439	2.4
69.03433	15.5
69.07075	17.2
71.04998	9.8
71.61488	5.3
71.61855	2.7
79.05503	12.7
81.03426	21.0
81.07049	30.4
83.04981	11.3
83.08627	8.3
85.02934	14.1
85.06544	10.6
91.05479	15.0
93.07048	19.4
95.04964	9.8
95.08604	42.8
97.02874	6.3
97.10175	5.1
98.97617	3.6
99.04466	5.0
99.08105	6.9
103.05423	2.8
105.07034	30.3
107.04963	5.3
107.08602	36.3
109.02900	7.1
109.06519	14.9
109.10163	100.0
111.04484	3.9
111.08083	7.9
115.05462	2.2
117.07045	3.8
119.08584	48.3
121.06537	6.5
121.10143	23.2
123.08093	15.1
123.09017	2.2
123.11694	10.3
125.09641	10.1
127.03945	14.1
127.11170	3.8
128.06117	2.9
129.06996	3.7
131.04939	6.3
131.08560	7.7
133.06456	3.8
133.10139	31.6
135.08057	4.4
135.11702	98.9
137.05968	4.4
137.09599	21.0
143.08600	5.2
145.05009	3.3
145.06456	3.8
145.10083	5.8
147.04414	6.7
147.08044	6.4
147.11699	7.6
149.09631	6.0
149.13243	7.2
151.11191	9.2
151.14821	9.9
153.09114	3.5
153.12735	4.1
157.10165	3.0
158.11797	3.5
159.11710	4.6
160.73767	2.5
161.09590	6.4
163.11159	4.3
165.09122	20.8
165.16408	2.9
167.07031	5.7
171.08081	3.5
173.13319	2.9
175.14835	44.1
177.16385	3.5
179.06934	3.4
179.10677	3.3
187.14888	4.0
188.03468	2.7
193.12288	3.1
193.15886	66.0
201.16422	2.9
206.04585	4.4
211.16942	65.6
329.11230	5.9
333.11337	4.2
351.14590	2.9
365.13950	3.9
367.22702	6.8
385.23892	5.1
459.21881	13.6
459.27887	18.3
459.34351	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	459.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89466	0.4
53.03944	1.3
55.01859	1.1
55.05512	4.3
57.03430	0.8
57.07058	0.6
57.48820	0.4
67.05214	0.6
67.05511	6.1
69.03436	1.1
69.07072	2.3
69.95855	0.4
71.04996	0.8
71.61318	0.8
79.05499	4.8
81.03418	11.5
81.07059	5.7
83.04983	1.2
83.08616	3.8
91.04961	0.6
91.05491	6.5
93.07047	3.6
95.04973	5.8
95.08618	3.1
97.02880	0.6
97.10170	2.6
98.97569	0.5
105.07024	5.3
107.04952	3.2
107.08566	3.8
109.06506	1.3
109.10189	1.7
110.70811	0.5
111.08088	1.8
117.07009	1.6
119.08593	3.4
121.06508	1.4
121.10133	2.2
123.04514	0.7
123.08085	1.1
125.09648	1.6
127.03881	0.8
128.06252	0.7
129.07008	2.3
131.04915	1.3
131.08580	3.3
133.06496	1.3
133.10097	2.8
135.08083	1.0
137.06018	0.5
137.09628	1.0
140.36261	0.5
141.06990	0.9
143.08603	1.3
145.06493	3.9
145.10115	1.3
147.04395	0.9
147.08058	1.7
147.11705	1.7
149.09633	1.5
151.11147	0.6
153.09087	0.7
155.08603	0.9
157.06474	1.1
157.10136	1.6
159.08038	0.7
159.11652	0.7
161.05984	0.9
161.09677	1.0
165.09109	3.3
167.08669	0.5
169.10130	0.8
171.08102	1.2
173.00383	0.6
173.09651	1.0
175.11185	2.3
181.10117	0.7
183.11761	0.7
187.82159	0.6
189.11241	1.1
189.12817	0.7
189.55902	0.5
193.12239	5.4
197.13336	0.6
225.12672	0.5
227.14326	0.5
237.12920	0.7
249.15001	0.9
257.15555	0.6
271.17038	0.6
273.14917	1.9
327.16678	0.7
349.21628	1.8
357.23950	0.7
367.22739	4.6
385.23651	5.4
403.24658	1.4
437.30264	0.5
459.22006	100.0
459.27618	11.2
460.22687	2.6
471.24783	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.1
54.01009	0.7
67.05531	0.7
69.03432	4.4
71.04995	11.4
71.61616	1.2
79.01854	2.3
81.03410	6.9
85.02923	4.9
95.08600	1.0
97.02876	5.2
99.04395	1.0
105.06995	1.0
107.01322	2.1
107.08587	0.8
109.02885	5.6
112.69843	0.7
123.08013	0.9
125.02317	4.1
125.49667	0.7
126.37164	0.8
127.03922	11.4
127.11198	41.3
134.49452	0.8
143.03372	4.5
145.12215	1.9
153.01833	100.0
153.02858	4.4
171.02892	9.8
232.07077	7.1
297.06006	5.2
315.07065	8.5
431.22778	0.9
443.69357	0.8
459.16519	13.4
459.21683	2.1
459.26367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64830	3.6
55.01859	4.0
57.75356	4.1
67.05507	4.0
69.03446	11.1
69.07053	4.2
70.06593	5.2
71.12691	9.9
81.03407	9.4
85.02926	20.6
91.05482	18.3
95.08599	4.8
97.02892	10.6
98.97599	10.0
105.07018	4.7
107.08598	7.7
109.02866	10.3
112.82207	3.7
116.98564	4.8
119.04937	5.7
123.08043	3.7
127.03932	35.2
143.03380	6.9
145.02907	4.7
145.05003	6.2
147.04399	18.4
153.01842	100.0
153.02972	4.5
171.02856	13.6
237.03000	4.7
297.16739	4.4
315.07056	12.3
459.20792	19.7
459.26425	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	459.2124
Annotation	Kopsilongine-N-oxide
Peak:m/z	Relative Intensity
53.03928	3.0
55.05503	7.0
57.43985	2.1
60.82698	2.2
65.03938	5.8
67.05508	15.6
69.03431	3.4
69.07074	5.4
79.05496	17.9
81.03419	18.3
81.07062	15.9
83.04977	3.1
83.08611	8.1
86.13889	2.5
91.05481	16.9
92.05000	7.2
93.07032	9.7
95.04951	7.8
95.08579	8.5
97.06519	3.8
97.10128	3.0
105.07038	12.3
107.04926	5.5
107.08581	9.8
109.06513	7.4
109.10148	6.5
110.06009	3.3
114.45802	2.4
117.07015	4.7
119.08611	5.9
120.04475	5.7
121.06525	3.4
121.10174	6.2
122.06031	6.0
123.11792	2.9
124.07590	6.9
125.09670	5.2
128.06187	2.7
129.06996	3.8
131.08568	7.2
133.06467	3.2
133.10156	6.6
135.08080	3.2
137.09630	2.9
138.05501	9.6
140.07074	3.1
142.08650	50.0
143.08563	2.5
145.06479	8.9
145.10101	5.3
147.08076	3.1
147.11752	3.1
155.08456	3.4
157.10117	3.3
161.09598	2.4
165.09143	6.9
175.11203	3.8
183.06512	2.7
185.09598	2.4
186.09163	2.7
188.03436	100.0
193.12233	7.7
196.07594	11.9
206.04500	43.1
214.04993	2.9
214.08656	29.9
215.09419	3.9
216.10066	3.1
228.06548	2.4
237.10297	4.4
237.12750	2.3
242.08154	11.8
243.05292	6.9
243.11101	2.3
249.14658	3.5
260.09174	9.2
261.12421	12.6
274.10712	4.1
279.13550	2.4
286.10846	4.0
297.12289	7.8
329.11331	94.7
347.12329	2.8
349.21542	3.6
367.22687	7.7
383.16006	5.7
385.23712	8.7
400.16379	2.9
401.17017	23.9
415.18777	14.8
459.22028	19.3
459.27530	26.2
460.18588	11.1
465.65775	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3684
Annotation	Oxyallobetulin
Peak:m/z	Relative Intensity
55.05500	11.6
57.07064	5.7
67.05509	25.1
69.07069	24.0
69.36520	2.5
70.30433	10.9
75.91500	2.4
79.05502	15.1
79.91714	2.6
81.07066	35.0
82.07394	3.2
83.04993	3.0
83.08604	10.1
86.19491	2.3
91.05483	11.8
92.16450	3.1
93.07050	34.4
95.04968	4.1
95.08611	75.1
96.08963	4.4
97.06541	4.4
97.10183	3.9
105.07036	37.7
107.08598	49.9
108.08973	2.8
109.06507	4.6
109.10152	30.3
111.08090	4.8
113.09661	3.4
115.78812	2.7
117.06981	4.4
118.71367	2.5
119.08576	50.9
121.06521	3.5
121.10144	34.0
123.08060	6.0
123.11709	15.9
129.07028	4.3
131.08569	15.0
133.10124	36.9
135.08052	4.5
135.11697	39.2
137.09584	5.5
137.13251	10.5
143.08545	11.5
145.10121	22.3
147.08047	6.1
147.11679	30.4
149.13271	23.9
151.11160	3.5
156.95265	2.7
157.10117	17.3
159.11682	17.5
161.09653	5.5
161.13292	17.3
163.14824	21.0
165.12744	4.5
169.10167	5.7
171.11705	11.7
173.13222	13.5
175.11243	3.0
175.14835	14.3
177.16473	14.3
179.14267	3.6
181.10294	3.9
185.13231	12.8
187.14830	26.1
189.16415	43.0
191.14381	3.4
191.17944	12.4
195.11887	3.0
197.13167	3.3
199.14824	30.0
201.12729	4.1
201.16362	20.3
203.14362	5.4
203.17966	12.9
205.15895	24.9
207.17448	46.8
211.14841	4.7
213.16528	13.0
215.17984	7.7
217.15868	21.9
219.13828	9.3
219.17493	6.8
225.16591	4.0
227.17870	5.9
229.19516	9.5
231.17340	5.6
232.29131	3.2
235.16965	14.0
239.17816	3.1
241.19582	4.7
243.21088	5.4
249.18593	4.4
253.19463	2.9
255.21104	47.1
257.22714	4.8
267.20956	5.4
269.22681	13.7
281.22809	4.2
285.21976	4.0
345.28058	6.8
357.28082	3.5
391.33469	14.0
409.34622	65.9
411.36124	5.9
421.30707	4.8
427.35672	23.9
439.36246	29.8
457.31302	7.8
457.37552	100.0
457.79639	3.0
458.37061	4.5
475.26712	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	15.4
57.07074	4.7
65.03944	2.5
67.05210	2.2
67.05511	26.5
69.03447	2.2
69.07069	26.5
69.54335	15.8
71.04993	3.0
71.08627	2.5
78.29472	1.9
79.05504	17.7
81.07062	55.3
83.04964	3.8
83.08627	11.5
85.02894	2.3
91.05502	15.6
93.07048	44.4
95.04988	4.2
95.08611	100.0
97.06513	6.0
97.10167	6.7
98.20647	4.1
103.05460	2.0
105.07032	42.4
105.96480	2.0
107.08595	68.2
107.42908	2.0
108.08891	3.5
109.06509	6.2
109.10167	44.9
111.08070	5.2
117.07011	9.6
119.08589	73.6
120.08894	3.6
121.06521	5.6
121.09300	3.0
121.10152	47.7
123.08055	6.5
123.11717	27.3
125.09608	3.1
129.06964	3.9
131.08569	19.1
133.10138	46.7
134.10524	4.0
135.08044	5.3
135.10675	3.0
135.11691	48.9
137.09642	4.8
137.12344	2.9
137.13232	18.1
139.07593	2.7
143.08583	12.4
145.10135	28.4
147.11703	35.5
149.09630	4.1
149.13269	21.1
151.07503	2.9
153.09081	5.3
155.08566	2.3
156.09377	3.1
157.10130	10.2
159.11685	29.5
161.09689	3.1
161.13281	28.3
163.07446	2.9
163.11188	3.1
163.14856	31.0
165.09172	3.3
167.10777	3.3
169.10095	4.6
171.11630	11.5
173.13289	19.5
175.11214	6.0
175.14815	23.7
177.09166	3.3
177.12752	3.8
177.16440	13.0
179.14316	3.6
179.17863	3.1
181.12302	2.7
183.11711	5.1
185.13216	8.2
187.14801	26.9
189.12784	3.1
189.16394	55.4
190.16682	3.3
191.14316	4.6
191.17966	50.7
193.12213	4.8
199.14873	10.9
201.12709	4.6
201.16359	19.9
202.16769	2.9
203.14331	6.3
203.17978	53.1
204.18330	2.6
205.15889	6.4
205.19482	7.3
207.13930	3.2
207.17456	18.8
209.13293	4.0
213.16383	10.2
215.14230	2.2
215.17957	14.3
217.12309	3.3
217.15851	5.2
217.19539	7.7
219.13824	4.5
219.17323	3.1
221.15364	3.1
221.19067	4.1
227.17984	3.1
229.19514	5.2
231.17503	6.0
231.21008	8.7
233.15353	3.0
235.16931	14.1
239.17899	4.6
241.19493	5.0
243.21126	2.9
247.16898	6.3
249.18515	17.5
253.19540	3.9
255.21080	6.2
257.22617	4.2
259.17053	2.9
261.18542	4.1
261.21841	2.4
269.22803	4.2
271.24246	3.1
283.24088	2.5
289.21439	2.5
292.87643	2.2
297.25876	3.0
302.58936	2.1
353.25299	2.1
367.25455	2.1
393.27505	16.8
393.35437	5.2
409.34686	4.9
411.36481	28.3
418.75830	2.5
421.30945	9.8
427.35617	7.5
439.31372	12.6
439.35709	20.4
457.31113	25.0
457.36713	55.6
458.37674	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	457.368
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
51.18939	0.7
51.90071	0.8
53.03938	0.8
55.05504	4.9
57.03423	0.8
57.07064	2.5
67.05508	7.7
69.03417	0.9
69.07070	8.3
69.94011	3.3
71.04987	1.3
71.08617	0.7
71.11169	0.8
79.05490	5.3
81.07059	16.3
83.04977	2.8
83.08606	4.3
85.06536	0.9
91.05474	5.8
93.07058	15.4
95.04972	2.0
95.08611	29.3
96.08833	0.9
97.06522	1.9
97.10189	2.1
99.08070	1.1
105.07040	14.8
107.04945	1.0
107.08601	22.9
108.08896	0.8
108.25823	0.8
109.06540	2.5
109.10164	17.2
109.10899	1.2
111.08107	3.1
115.05510	0.9
117.07026	1.7
119.08595	21.4
120.08931	1.0
121.06507	1.9
121.10142	20.0
122.10458	1.0
123.08073	1.8
123.11719	9.5
125.09656	0.9
129.07001	1.5
131.08559	7.2
133.10138	17.9
135.08032	4.8
135.11714	15.9
135.92619	0.7
137.09676	1.2
137.13258	2.8
143.08591	3.8
145.10124	11.3
147.08081	1.8
147.11708	10.0
149.09604	4.5
149.13271	8.9
151.11281	1.1
151.14792	1.0
153.09146	1.2
155.08563	1.5
156.09317	1.3
157.10124	3.7
159.08047	1.1
159.11681	8.6
161.09662	4.1
161.13280	7.3
163.11183	2.8
163.14825	6.8
165.12732	1.0
167.10651	0.9
169.10165	1.0
171.11676	3.4
173.09541	1.1
173.13284	6.6
175.11195	3.8
175.14822	7.5
176.15138	0.8
177.12747	3.0
177.16391	3.3
179.10818	0.8
179.14328	1.1
181.10147	0.9
183.11723	1.7
185.13333	4.4
187.11229	1.9
187.14839	7.9
189.12794	1.9
189.16394	15.8
191.14299	2.0
191.17946	9.4
197.13258	1.7
199.14857	2.7
201.12706	3.6
201.16374	5.4
203.14362	3.0
203.17941	11.4
205.12242	1.1
205.15906	2.9
205.19533	1.8
207.17480	2.4
211.14685	1.0
213.12724	1.0
213.16412	3.2
214.17082	0.8
215.14388	1.5
215.18015	3.5
217.15924	3.1
217.19620	1.1
219.13840	2.8
225.16473	1.4
227.17949	1.8
229.15816	1.1
229.19542	1.8
231.17444	2.2
231.21053	1.5
235.16945	6.9
239.17953	1.2
241.19496	1.9
243.21034	1.4
245.15384	1.1
247.17024	1.2
249.18532	3.3
253.19482	0.8
257.22736	1.4
261.18524	0.9
268.36572	0.9
275.20126	1.1
281.22662	1.0
285.22043	1.0
303.23184	1.3
387.25430	1.7
393.27438	1.1
403.29794	1.3
411.36710	4.6
421.31027	3.6
424.29657	1.8
439.31116	8.8
439.36633	2.7
457.37320	100.0
458.37711	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	457.3678
Annotation	lansiolic acid
Peak:m/z	Relative Intensity
53.03937	2.2
55.05512	14.6
57.07082	6.3
61.89854	0.9
65.03938	1.9
67.05503	20.5
69.07064	20.0
71.08632	2.5
71.31654	2.5
79.05493	13.6
81.07056	54.4
83.04979	1.1
83.08620	11.5
85.06512	1.1
85.49132	1.1
91.05476	10.1
93.07043	27.1
95.08607	100.0
97.06506	1.8
97.10164	5.2
105.07034	25.3
107.08592	50.3
109.06480	1.1
109.10155	56.2
111.08075	2.1
111.11694	1.7
117.07003	3.0
119.08584	52.1
119.09435	2.5
119.34282	1.0
121.10141	48.1
123.08093	2.0
123.10819	1.8
123.11710	30.5
125.09586	1.3
131.08562	6.5
133.10135	38.9
135.11696	43.6
137.13255	17.8
139.11192	1.4
143.08513	2.8
145.10124	12.0
147.08018	1.1
147.11694	30.5
149.09615	1.2
149.13251	19.9
151.07625	1.1
151.14801	1.6
153.09123	6.4
154.81953	1.1
157.10031	2.4
159.11690	10.0
161.09665	1.4
161.13258	24.1
163.14836	26.7
165.09145	1.5
165.12698	1.3
167.10651	3.7
171.11653	3.9
173.13246	9.6
175.13445	1.9
175.14828	20.4
177.09044	1.1
177.16397	14.7
179.10770	2.0
179.17966	5.3
185.13237	2.1
187.14833	12.4
189.16385	82.9
190.16725	2.0
191.14293	2.0
191.17946	63.9
193.12181	2.3
199.14780	3.3
201.16388	17.1
202.16670	1.4
203.17961	77.0
204.18271	1.9
205.19548	10.9
207.13657	1.4
207.17433	7.9
213.16382	7.7
215.16064	1.8
215.17975	20.1
217.12247	7.4
217.15889	2.8
217.19522	12.2
219.17418	1.3
219.21262	1.1
221.15425	2.1
221.19008	5.5
227.17862	1.2
229.19485	3.9
231.17436	2.5
231.21085	11.9
233.15315	1.7
233.22676	1.3
235.16942	12.0
243.21051	2.0
245.22661	2.6
247.16959	5.9
249.18521	22.0
250.18834	1.3
255.20888	1.0
257.22598	3.8
259.16953	4.4
261.18546	9.8
263.20026	1.3
269.22659	1.4
271.24167	2.2
275.19977	2.6
277.21600	1.8
289.21500	1.6
291.23370	1.3
301.21680	1.3
305.29199	1.1
317.24686	1.4
343.26398	1.9
393.35251	12.5
411.36285	38.3
412.36710	1.5
421.30484	1.5
439.36050	28.9
457.37100	63.3
458.37167	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3678
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
55.05507	5.4
65.46159	2.2
67.05515	14.2
69.07072	8.8
69.28586	20.3
69.28999	6.2
79.05488	8.2
81.07063	25.5
82.37258	2.4
83.08627	4.6
91.05509	6.8
93.07047	20.3
95.08038	4.1
95.08617	64.1
97.10185	3.9
97.89371	2.4
105.07041	12.2
107.08604	40.0
109.10177	34.5
119.08595	23.1
121.10157	40.2
123.11702	9.1
133.10117	14.3
135.11707	20.4
136.19064	3.5
137.13283	3.4
145.10133	5.8
147.11716	14.6
149.13281	21.8
161.13310	15.4
163.14827	35.7
164.42548	2.9
175.14841	9.0
177.16344	13.1
187.14838	4.7
189.16394	24.7
191.17961	24.1
201.16385	4.1
203.17952	29.9
205.19537	9.1
207.17509	6.2
215.18054	4.2
217.19498	6.5
221.19017	4.3
231.21115	11.9
233.18843	3.6
297.25568	6.2
315.26871	3.6
356.42908	3.0
393.35123	6.8
411.36237	100.0
412.36703	4.3
439.35803	6.6
457.32495	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	457.3677
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
53.03936	5.4
55.05509	21.1
57.07077	16.9
67.05511	30.3
69.06760	2.8
69.07069	29.6
70.06577	8.6
70.85357	7.5
71.05006	3.3
71.08602	6.4
78.32777	3.0
79.05487	20.8
81.07058	62.0
83.05011	2.2
83.08617	12.4
85.06545	7.2
88.07621	10.8
91.05023	2.6
91.05491	25.9
93.07042	40.3
95.04987	4.8
95.08607	100.0
96.08929	4.1
97.06492	3.5
97.10165	6.7
102.09198	6.4
105.07033	51.2
107.08593	74.0
109.06530	5.3
109.09432	5.1
109.10153	60.8
111.08081	10.7
113.09660	6.2
117.07018	9.7
119.07792	5.2
119.08589	78.7
120.65909	2.5
121.10142	60.3
123.08050	6.6
123.11716	20.9
125.09602	6.8
129.07027	3.3
131.08601	16.3
133.09215	4.4
133.10135	55.8
133.35480	2.5
135.08051	5.3
135.11710	40.5
137.09584	6.4
137.13249	6.9
139.11134	2.3
143.08557	8.8
144.09399	2.3
145.10112	40.7
145.70003	2.4
147.11688	40.7
149.09592	5.4
149.13264	26.9
151.11177	3.9
157.10109	8.8
159.11697	35.7
160.12050	3.1
161.13261	38.9
163.14822	21.4
165.12709	6.0
165.16347	2.7
169.10207	3.9
171.11699	13.9
173.13272	28.3
174.13785	2.4
175.14839	33.6
177.12836	3.8
177.16397	21.9
179.14301	5.9
183.11662	4.0
185.13239	9.9
187.14832	32.4
189.12651	3.7
189.16360	35.8
191.14275	8.6
191.17906	16.0
193.15863	17.6
197.13268	3.3
199.14780	10.7
200.20123	30.1
201.16417	37.8
201.20454	22.7
203.14238	3.7
203.17970	17.7
205.15886	13.2
207.17372	14.5
211.14713	3.0
213.16417	12.1
213.18318	2.6
215.17973	23.1
217.19460	11.1
218.21141	2.9
219.17429	24.1
227.17944	9.5
228.18590	3.4
229.15846	3.0
229.19498	7.4
231.17447	8.7
231.20967	5.6
233.19020	9.9
241.19437	4.4
243.17400	3.5
243.21100	4.0
245.18961	6.0
255.21107	5.9
259.20615	4.5
267.21048	3.2
269.22552	3.3
282.88901	2.9
283.26398	18.8
284.26614	35.0
347.27444	3.6
383.33228	3.8
393.35187	4.6
403.33432	7.7
421.34671	81.9
422.34851	5.6
439.35944	42.4
440.36407	4.1
457.36575	63.0
457.44333	89.0
458.36969	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	457.3681
Annotation	Swinniol
Peak:m/z	Relative Intensity
51.71812	4.2
53.03956	7.5
55.05516	16.5
57.03458	4.5
57.07072	6.7
59.32253	5.3
61.98664	4.6
64.98858	5.4
67.05508	28.6
69.07075	35.6
71.05002	5.5
71.11154	10.7
74.85419	5.8
79.05487	28.1
81.07053	62.4
83.04974	6.8
83.08619	15.0
91.05498	20.5
93.07053	58.2
95.04955	9.6
95.08615	100.0
96.69170	5.0
97.10177	10.3
105.07038	48.8
107.08599	82.9
109.06552	6.9
109.10175	59.7
111.08105	11.0
117.07036	10.8
119.08587	73.1
121.10151	67.8
123.08080	12.2
123.11732	24.4
124.11896	4.4
129.06989	6.5
131.08597	23.3
133.10118	48.7
135.11667	36.4
137.09668	4.3
137.13261	11.7
143.08571	12.1
145.10089	29.2
147.11691	31.7
149.09657	9.1
149.13275	52.3
151.11169	5.3
157.10164	16.5
159.11725	35.8
161.09619	5.9
161.13240	26.7
163.11154	6.0
163.14815	53.2
165.12784	6.4
169.10168	7.7
171.11699	17.0
173.13252	30.2
175.11169	8.4
175.14848	31.9
177.16383	59.4
185.13242	14.1
187.14777	22.3
189.16397	43.7
191.14285	7.5
191.17973	25.2
193.15929	8.6
197.13171	5.4
199.14818	14.8
201.12779	9.6
201.16370	25.9
203.14323	6.8
203.17967	19.4
205.15884	8.8
207.17497	12.2
213.16400	19.2
215.18011	17.6
217.12424	7.9
217.15895	7.4
217.19620	6.9
219.17467	7.3
225.16374	6.9
227.17990	10.8
229.19650	6.3
230.93181	6.0
231.17424	14.7
233.19002	11.3
235.16920	7.5
241.19499	7.4
259.20609	7.2
261.18433	7.8
287.64923	5.0
337.27310	6.1
391.33536	13.7
409.34726	17.9
421.34912	39.7
427.35703	86.0
439.36395	32.4
457.32257	19.9
457.36758	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	457.3676
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03950	0.9
53.74907	0.5
55.05517	2.7
56.03459	0.4
57.03457	0.5
57.07072	1.2
67.05502	4.6
69.03432	0.5
69.07070	3.3
70.96368	0.6
70.96701	0.7
79.05506	2.7
81.07063	8.9
82.04204	0.5
83.04971	3.1
83.08623	1.3
86.00675	0.5
91.05463	3.8
92.33247	0.4
93.07047	8.7
95.04961	1.5
95.08607	14.9
97.06516	1.0
97.10162	0.9
105.07033	7.9
105.15338	0.4
107.08595	13.4
109.06524	1.0
109.10161	9.7
111.08069	1.3
111.11726	0.5
117.07047	1.0
119.08582	12.4
121.06508	1.2
121.10151	11.0
123.08098	1.3
123.11710	4.0
125.09638	2.2
129.07043	0.6
131.08574	2.3
133.10129	8.4
135.08080	1.7
135.11702	8.9
137.09586	0.6
137.13274	1.2
139.07617	0.7
143.08568	1.3
145.10138	3.3
147.08051	1.2
147.11688	5.6
149.09642	3.5
149.13255	3.4
151.11177	0.6
155.08521	0.6
157.10141	2.5
159.11719	3.6
161.09619	3.0
161.13268	3.8
163.11234	1.4
163.14799	2.3
169.10185	0.6
171.11751	1.8
173.13281	1.7
175.11244	2.0
175.14821	6.5
177.12794	0.7
177.16388	3.2
183.11723	0.8
185.13245	2.3
187.11266	0.6
187.14836	1.9
189.12764	1.2
189.16394	6.5
191.17952	1.3
199.14886	0.9
201.16469	1.6
203.14349	1.8
203.17966	4.8
206.16226	0.6
213.16452	1.4
215.14336	0.9
215.17906	0.7
217.15894	1.1
221.15433	0.7
221.19052	1.8
223.83549	0.5
227.18092	0.8
231.17522	0.6
235.16878	3.8
241.19521	0.7
249.18486	1.0
267.21176	0.6
271.20599	0.6
281.22604	0.4
285.22198	1.5
303.23166	1.2
334.05841	0.6
409.35004	0.5
421.35001	1.0
439.36362	4.1
457.36850	100.0
458.37039	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	457.3678
Annotation	Ekeberin A
Peak:m/z	Relative Intensity
53.03939	0.7
55.01856	0.6
55.05509	3.3
57.07059	0.7
65.03941	0.5
67.05506	4.8
69.03423	0.6
69.07073	4.3
69.47591	1.5
69.48020	0.8
70.01764	0.3
71.08636	0.3
79.05489	3.7
81.07059	8.9
83.04985	4.7
83.08626	1.7
85.06535	0.6
91.05482	3.3
93.07047	8.0
95.04958	1.4
95.08611	16.4
97.06533	1.2
97.10166	1.2
99.08109	0.5
105.06365	0.7
105.07035	9.5
107.08599	13.9
109.06527	1.3
109.10155	8.7
111.08086	1.0
114.46174	0.4
117.07047	0.6
119.08577	10.3
121.06483	1.0
121.10145	9.5
123.08084	1.4
123.11710	3.0
125.09650	1.3
129.06967	0.7
131.08582	2.2
133.10139	9.0
135.08070	1.9
135.11697	9.1
137.09633	1.5
137.13239	1.3
139.07571	0.7
139.11214	0.6
143.08577	1.8
144.90305	0.3
145.10107	4.1
147.08041	1.1
147.11696	5.6
149.09633	3.0
149.13269	3.1
151.11180	1.0
155.08580	0.8
156.09340	0.6
157.10106	2.3
159.08011	0.4
159.11691	2.5
161.09616	2.9
161.13245	3.2
163.11230	1.0
163.14778	1.9
169.10147	0.6
171.11687	1.7
172.58592	0.3
173.09656	0.6
173.13257	2.8
175.11243	1.6
175.14807	6.8
176.15195	0.4
177.12854	0.4
177.16391	5.7
179.14328	0.6
183.11687	0.6
185.13264	1.3
187.14804	2.7
189.12895	0.7
189.16397	6.5
191.17989	2.8
193.15919	0.7
197.13359	0.7
199.14877	1.5
201.16422	1.7
203.14330	2.2
203.17955	5.7
207.17438	0.9
211.14786	0.5
213.16414	2.0
215.17982	1.0
217.15915	1.6
219.17516	0.6
221.15462	0.7
221.18988	2.7
225.16510	0.7
227.17963	1.0
229.15965	0.8
231.17471	1.8
235.16942	2.1
241.19571	0.7
245.19078	1.0
249.18497	2.6
255.21104	0.6
257.22815	0.4
259.20578	0.5
263.20135	0.4
267.21140	1.0
273.22195	1.3
285.22235	2.5
303.23196	1.6
324.44626	0.4
421.34805	1.0
427.35779	1.0
439.35818	5.6
457.36807	100.0
458.37076	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	457.3312
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
53.03932	5.7
53.66757	3.7
55.01868	3.9
55.05519	21.7
57.07066	6.6
61.27841	4.0
67.05502	28.1
69.07072	24.0
79.05506	24.7
81.07065	58.2
83.04983	7.3
83.08614	12.1
91.05485	40.7
93.06452	6.6
93.07047	60.7
95.04932	6.3
95.08605	92.4
97.06528	6.9
105.06383	4.8
105.07041	67.8
105.07726	3.2
106.12584	4.3
107.08598	99.2
109.06532	6.5
109.10162	45.8
111.08093	11.5
113.84480	3.4
115.05448	4.0
115.63244	4.4
117.07005	16.3
119.08582	100.0
121.06448	7.5
121.10146	60.7
123.08051	11.7
123.11729	12.2
129.06998	5.9
131.08571	44.2
133.10130	65.9
135.08018	4.9
135.11679	34.9
137.09599	8.7
141.06979	4.1
143.08551	22.6
145.10127	69.0
147.08012	5.2
147.11699	45.6
149.09647	7.5
149.13240	19.3
151.07539	12.7
151.86334	4.2
153.09128	7.3
157.10161	20.9
159.02029	3.8
159.11699	50.9
161.09624	4.7
161.13263	31.5
163.07558	6.9
163.11212	5.8
163.14810	18.4
171.11664	15.3
173.13240	28.7
175.11201	5.0
175.14801	27.5
177.09148	6.9
177.16357	21.0
179.14259	6.1
183.11703	7.3
185.13243	16.6
187.14835	87.8
189.12794	6.2
189.16380	44.5
191.14288	6.9
191.17946	18.0
199.14795	23.3
201.16400	42.4
203.14235	9.9
203.17926	15.2
205.15892	32.3
207.17421	11.6
211.14865	4.9
213.16380	18.8
215.14479	6.2
215.17917	17.5
217.12276	6.2
217.15778	6.9
217.19569	6.2
219.17433	5.0
227.17816	7.4
229.16060	4.8
229.19685	5.2
233.15474	8.2
235.16876	10.7
237.04308	6.2
241.19556	5.3
247.16957	16.6
261.18417	9.9
271.20465	5.3
297.22058	7.4
375.30322	12.5
393.31476	54.1
394.99393	6.1
397.13226	5.4
400.11856	15.4
411.32629	14.3
415.14380	24.4
421.30728	24.3
436.24033	8.3
439.31702	35.7
443.95941	4.4
457.15277	7.6
457.32745	66.2
458.33505	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	457.3316
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
55.05501	3.3
67.05508	6.8
69.07072	6.7
70.07501	2.6
70.07882	2.8
77.03976	1.6
79.05479	6.6
81.07065	15.0
83.04938	2.0
83.08620	1.8
85.06536	2.1
88.25957	1.4
91.05486	7.7
91.53819	1.1
92.83498	1.1
93.07050	14.8
95.04961	2.0
95.08601	19.5
97.06519	1.4
97.10142	1.9
105.06377	1.8
105.07036	23.7
107.08603	25.9
109.06525	2.4
109.10156	12.7
111.08053	2.3
117.07003	2.9
119.08589	24.1
121.06499	1.4
121.10151	13.3
123.08086	1.8
123.11704	5.4
126.11591	1.2
129.06985	3.4
131.08600	8.0
133.10143	22.3
135.08064	2.3
135.11700	23.5
137.09589	2.4
137.13245	1.2
139.94916	1.1
142.07729	2.3
143.08574	7.4
145.10139	10.9
147.07996	2.8
147.11682	16.0
149.13251	6.9
151.11143	2.2
155.08487	1.5
156.09366	2.7
157.10098	6.7
159.08118	2.2
159.11687	8.3
161.09628	1.3
161.13263	9.8
163.14847	7.8
165.12703	1.5
169.10117	2.5
170.10828	1.4
171.11700	13.4
173.09628	2.0
173.13269	9.2
175.11177	3.9
175.14827	12.0
177.16393	4.8
183.11681	2.7
185.13231	5.1
187.14801	6.9
189.12715	9.5
189.16393	33.2
191.14355	2.2
197.13225	2.6
199.11160	4.4
199.14771	4.4
201.12778	1.4
201.16403	3.3
202.09879	1.5
203.14325	4.5
203.17943	3.3
205.15990	2.2
207.17456	54.2
208.17885	1.1
209.13248	1.9
211.14734	1.5
213.12769	7.7
213.16370	3.2
215.14287	3.4
215.17978	3.2
217.12250	100.0
217.15762	3.1
218.12573	1.4
219.13850	1.3
221.15352	1.6
223.10974	1.4
227.14261	2.1
231.13815	11.6
233.15285	2.8
235.13266	4.4
235.17053	1.4
238.21866	1.3
239.17972	1.7
241.15851	1.7
241.19676	1.7
249.14793	4.2
255.21100	2.8
393.31287	2.1
409.34329	1.6
411.32626	2.1
421.30716	11.4
427.35693	4.4
439.32001	31.2
457.33057	74.2
458.33420	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	457.3313
Annotation	CHEBI:69577
Peak:m/z	Relative Intensity
53.03957	3.9
55.05511	11.9
57.07078	6.7
64.39022	2.8
65.03971	3.2
67.05509	25.8
69.07056	16.0
69.23551	14.0
69.23980	18.0
72.90930	3.4
76.48149	2.7
76.51130	2.7
79.05489	22.7
81.07056	51.2
83.04982	4.2
83.08626	10.1
91.05484	28.4
93.07040	50.0
95.04980	6.0
95.08612	84.5
95.09225	5.2
97.06531	4.4
97.10167	5.5
105.07031	60.9
107.08598	80.8
109.06506	8.3
109.10159	41.3
111.08094	14.0
117.07029	14.3
119.08586	92.1
121.06514	3.5
121.10162	56.6
123.08057	7.5
123.11716	12.6
124.56726	3.3
125.09655	4.6
129.06998	5.8
131.08595	43.8
133.10141	64.4
135.08066	5.9
135.11707	37.8
137.09621	3.9
137.13335	3.7
143.08551	20.9
145.10133	72.8
147.11693	37.7
149.09625	7.4
149.13287	12.0
153.09070	4.1
155.08551	3.8
157.10127	16.0
158.10854	4.7
159.08006	4.0
159.11713	47.6
161.09666	5.8
161.13284	30.7
163.11198	4.4
163.14830	18.3
169.14325	3.3
170.28737	3.1
171.11694	8.7
172.12508	3.3
173.13280	35.3
175.14841	29.9
177.09123	6.0
177.12715	10.6
177.16339	25.4
178.72069	3.1
183.11714	8.0
185.13266	16.9
187.14821	100.0
189.12784	10.2
189.16382	53.6
191.14307	11.2
191.17940	9.1
196.50647	3.3
197.13228	5.6
199.14827	12.9
201.16386	43.1
201.18216	4.7
203.14316	8.7
203.17920	13.3
205.15900	32.5
207.17532	3.9
209.13274	4.4
213.16420	12.8
215.14420	5.6
215.17931	24.5
216.51707	3.4
217.15849	7.1
219.17384	5.9
225.16357	4.7
227.18105	6.6
229.15967	4.6
229.19493	6.0
233.15385	4.8
235.16916	12.4
239.18080	3.8
241.19470	7.1
243.17140	4.0
247.16916	21.9
253.19446	4.4
255.21039	3.9
261.18457	4.9
267.21042	3.9
297.22293	8.1
365.76553	3.2
375.30466	11.3
393.31564	61.6
411.32574	5.1
414.24393	4.1
421.31052	27.9
439.32141	22.5
457.33206	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3312
Annotation	Ilekudinol B
Peak:m/z	Relative Intensity
52.10561	4.0
55.05501	8.8
57.07074	7.1
60.30394	2.7
62.05376	3.7
65.03925	3.3
67.05508	16.7
69.07077	18.9
69.96809	16.2
71.04998	3.5
77.28684	2.7
79.05489	11.9
81.07066	33.2
83.04993	3.5
83.08610	7.2
85.06531	7.2
91.05464	9.9
93.07044	37.4
95.08606	56.0
96.13712	3.9
97.06516	4.2
97.10158	5.4
105.07023	33.5
107.08597	52.9
109.10159	35.2
117.06984	5.8
119.08590	48.2
121.06461	3.1
121.10136	46.0
122.95224	3.2
123.10899	3.3
123.11700	16.1
131.08566	25.8
133.09326	3.5
133.10144	33.5
135.11717	30.8
137.09648	4.5
137.13312	7.7
137.64293	3.2
143.08562	7.7
145.10109	27.5
147.11699	23.4
149.13254	16.2
153.09099	5.2
157.10144	12.9
159.11687	17.4
161.13245	15.5
163.14857	19.8
171.11737	8.6
173.13264	11.5
175.14767	9.5
177.16364	7.4
181.12212	5.6
185.13263	11.6
187.14825	38.4
189.16376	32.3
191.17957	19.4
199.14813	5.6
201.16449	18.8
203.17969	19.8
204.10457	3.0
207.17487	4.2
213.16290	10.3
215.17903	7.4
217.15959	5.7
217.19370	4.4
219.17453	5.8
227.17964	7.4
229.19521	11.0
235.16891	3.8
241.19507	10.7
243.21017	7.4
247.16884	4.3
249.18433	6.0
255.21089	10.6
256.26151	3.5
261.18555	3.5
269.22513	4.3
275.19940	4.0
281.22632	3.4
309.25711	3.8
315.23230	3.9
351.30347	4.8
375.29907	3.8
393.31366	18.9
397.30756	11.5
411.32394	100.0
411.37064	7.3
421.30838	4.0
439.31473	6.5
439.36560	4.2
457.32822	23.6
457.37238	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	456.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93607	2.1
51.08535	2.2
51.10303	2.0
53.03952	3.4
55.05516	2.4
56.96570	2.6
57.03433	23.5
59.05010	3.0
59.12818	2.1
60.04498	3.1
61.02934	4.0
64.31728	2.5
64.57725	2.1
67.05495	6.4
69.03065	5.0
69.03431	83.6
69.07034	2.1
69.51868	2.4
70.78325	5.0
70.78696	4.5
71.04984	4.4
73.02911	3.6
79.05482	4.1
81.03414	9.1
81.07064	8.0
83.04974	3.6
85.02908	100.0
85.03426	4.8
87.04472	46.3
91.03968	4.3
91.05474	6.0
93.07011	3.1
95.04978	5.4
95.08620	6.6
97.02905	60.2
98.97567	2.5
99.04432	5.8
104.10748	4.1
105.07026	5.0
107.08649	5.2
107.25203	2.3
109.02879	7.9
109.10167	3.8
115.03938	78.0
119.08589	4.8
121.06521	2.5
122.06085	2.7
127.03933	19.8
133.03976	5.0
133.04973	87.6
133.10153	3.3
145.04965	28.6
145.10237	2.9
150.07616	9.8
163.06001	8.4
171.13846	3.0
189.90825	2.3
259.08099	2.9
262.10825	2.5
295.10303	2.8
326.11038	5.6
345.61493	2.7
350.16165	2.3
438.30933	3.1
456.19678	4.0
456.26315	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	457.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23631	1.2
53.03929	2.4
55.01871	1.2
55.05508	5.5
57.03423	1.8
57.07081	1.9
59.04987	3.2
62.25326	1.1
65.03944	1.6
66.32643	1.1
67.05502	8.2
69.03423	10.0
69.07059	6.2
71.04985	1.7
71.61441	2.3
79.05492	7.9
81.03430	2.8
81.07060	13.4
83.04994	2.2
83.08613	3.1
85.02896	4.7
85.06527	2.7
87.04475	1.7
90.94890	1.2
91.05474	14.0
93.07050	14.6
95.04958	1.8
95.08607	16.6
97.02893	4.4
97.06517	4.7
97.10218	1.2
99.04470	1.3
99.08096	5.4
105.07029	19.7
107.04938	4.0
107.08598	30.0
109.02865	1.7
109.06512	5.2
109.10165	12.8
111.08060	4.3
117.07008	3.5
119.04939	4.8
119.08598	29.3
121.06487	6.4
121.10146	17.0
122.07280	4.2
123.08073	13.2
123.11697	2.7
125.09631	2.8
127.03918	19.0
129.41339	1.2
131.08580	10.3
133.10136	100.0
135.08072	8.7
135.11687	8.1
137.05974	1.9
137.09622	47.0
139.11211	1.5
139.37294	1.2
143.08591	3.2
145.10150	11.0
147.04425	13.3
147.08054	4.5
147.11679	14.8
149.09612	4.6
149.13272	12.2
151.07559	2.5
151.11154	1.7
153.01883	1.8
157.10175	3.9
158.10915	1.6
159.08075	1.9
159.11655	7.2
161.09616	9.8
161.13240	6.3
163.11168	4.1
163.14824	4.3
165.09178	3.5
165.12764	1.7
169.08640	3.2
171.11755	2.6
173.13293	10.8
175.11165	2.1
175.14825	6.4
177.12820	2.1
177.16359	2.7
185.09662	1.4
185.13263	3.5
187.11124	1.9
187.14825	20.0
189.12747	7.3
189.16393	7.3
191.14314	43.2
199.14790	1.6
201.16405	10.5
203.14322	5.0
205.15865	6.0
209.15260	5.9
213.16458	1.9
215.14424	1.7
219.17430	2.6
229.15921	2.0
266.38873	1.3
277.21793	1.4
295.15594	1.6
295.18930	9.1
335.12347	1.8
339.26822	1.7
375.30316	1.9
393.31604	15.0
411.32559	13.9
439.32376	3.2
457.19025	5.4
457.23895	24.5
457.33249	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	456.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91953	0.5
53.03936	1.0
55.05499	0.6
55.82272	0.4
57.03447	3.0
58.00624	0.4
67.05505	0.5
69.03436	9.6
69.06710	0.6
69.07072	10.5
69.46835	3.5
70.06594	2.0
71.04996	25.2
77.11433	0.4
79.98193	0.5
81.03416	2.8
81.07047	0.5
85.02916	7.5
85.06537	0.6
86.09737	0.6
87.04479	4.5
95.04939	0.5
96.05347	0.5
97.02903	6.9
97.06556	0.7
98.21525	0.8
109.02884	5.4
109.10155	0.8
111.68402	0.4
112.07625	2.0
115.03939	4.6
123.04417	0.7
124.02177	3.2
125.02308	0.6
126.03732	0.5
127.03922	100.0
127.11198	74.7
128.04256	2.0
128.11537	0.9
133.04970	4.4
136.31580	0.4
139.98927	0.8
140.07066	12.8
141.05446	0.6
145.04968	0.9
145.12242	38.7
147.04417	1.1
150.07634	0.7
153.01997	1.6
157.05202	0.4
158.53452	0.4
159.12126	0.4
162.75484	0.4
167.03416	1.0
168.03722	0.9
168.06575	22.3
169.09724	0.8
186.07648	0.6
198.43179	0.5
224.80458	0.4
240.08719	0.7
294.04602	7.7
294.09729	0.4
294.13464	0.8
312.11029	0.8
417.21179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.1502
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79770	0.3
53.03938	0.7
55.01869	0.5
57.03433	1.9
60.04498	0.3
67.01968	0.3
67.05490	0.4
69.03432	6.1
69.06711	0.5
69.07068	9.2
70.06593	1.9
71.04996	15.9
71.61300	0.4
73.02934	0.4
79.64077	0.3
81.03420	3.0
85.02910	5.0
85.06521	0.3
86.06084	0.5
87.04469	3.5
91.05471	0.4
92.43869	0.3
95.04974	0.9
96.08134	0.4
97.01110	0.5
97.02894	5.9
97.06519	0.9
98.19020	0.3
109.02885	5.6
109.10148	0.4
112.07612	1.8
112.09103	0.3
115.03924	4.4
122.06014	0.4
123.04451	0.3
124.02171	3.9
124.11278	0.7
125.02401	0.6
126.03753	0.6
127.03922	100.0
127.11195	56.3
128.04224	1.4
133.04977	4.4
138.32579	0.3
139.98993	1.4
140.07065	12.8
141.05412	0.3
144.63867	0.3
145.04970	0.7
145.12241	31.4
147.04402	0.5
148.07579	0.3
153.02133	2.1
153.04808	0.4
163.03984	0.3
167.03447	1.0
168.06567	23.7
171.03108	0.6
186.07631	1.2
223.06044	0.3
234.11278	0.3
240.08731	0.4
269.06424	0.4
276.03787	0.4
294.04642	11.7
294.09830	0.5
294.13339	0.6
295.04803	0.4
312.10858	0.5
321.94852	0.3
449.85098	0.4
456.19189	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93550	2.9
55.05513	17.7
56.96579	4.6
57.03430	4.5
57.07056	4.9
58.24860	3.0
59.04978	2.8
62.18613	2.5
65.99789	2.9
67.05504	38.6
69.03432	5.3
69.07066	24.1
71.04971	10.0
71.61253	5.4
71.61624	3.7
79.05494	27.5
81.07061	60.3
83.04980	6.9
83.08640	14.0
85.06570	2.8
91.05470	30.3
93.07047	50.2
95.04967	5.0
95.08607	74.3
97.06533	5.3
97.10197	5.6
105.06377	4.1
105.07027	54.6
107.08601	84.2
109.06523	7.2
109.10156	50.4
111.08067	13.5
113.09624	2.8
117.07051	7.1
119.07777	4.9
119.08585	77.2
121.06503	5.9
121.10146	65.9
123.08072	6.3
123.11700	16.4
125.09617	3.5
129.07043	5.5
131.08551	30.3
133.09119	3.1
133.10130	54.7
135.08084	6.9
135.11711	24.7
137.09618	6.1
142.07820	3.3
143.08543	14.2
145.10141	44.9
147.08054	5.0
147.11705	35.7
149.09605	7.3
149.13248	25.9
151.11148	5.2
153.09073	4.2
155.08495	4.6
156.09309	6.2
157.10088	15.8
158.10925	3.1
159.08070	5.0
159.11736	33.0
160.12256	3.2
161.09665	5.7
161.13287	30.9
163.11182	16.0
163.14771	21.5
165.09071	3.8
169.10132	9.8
171.11707	15.0
173.11870	5.0
173.13243	27.9
175.11137	5.1
175.14844	37.3
177.12839	4.6
177.16388	50.7
179.14224	3.9
181.10117	4.0
183.11708	7.8
185.13222	14.0
187.11235	4.8
187.14844	34.4
189.12750	6.0
189.16425	40.0
191.14294	7.2
191.17979	10.4
193.12254	4.1
195.11688	3.2
197.13257	8.5
199.14819	10.6
200.15587	2.6
201.12759	4.6
201.16420	19.4
203.14310	8.8
203.17960	43.5
205.14000	6.2
205.15886	100.0
207.17532	14.5
209.13295	3.6
211.14873	7.4
213.12804	3.3
213.16341	6.9
215.14305	4.9
215.17972	13.4
217.12321	4.3
217.15860	4.9
219.17485	4.9
221.18985	3.8
227.17828	5.1
229.15880	4.7
229.19505	7.0
231.17383	5.1
237.16385	3.7
239.17914	7.4
241.19586	7.4
247.16866	5.5
249.18538	7.7
253.19398	5.0
295.20200	3.8
295.24100	4.2
313.25272	7.7
358.44461	3.4
376.98419	3.7
391.29712	17.1
394.99225	12.8
407.29343	4.5
409.30728	8.5
409.35220	37.9
411.27353	3.5
419.29495	8.7
423.15857	3.3
433.41129	3.4
437.29495	28.8
455.30426	46.6
455.35974	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	455.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	14.8
57.07066	5.0
58.41046	2.2
59.43990	2.3
59.59525	2.2
59.59884	2.2
67.05512	22.4
69.07063	17.9
79.05510	13.4
81.07065	51.1
81.75582	2.1
83.08623	9.2
91.05471	15.0
93.07049	34.3
95.08612	85.1
97.10173	7.9
105.07034	31.5
107.08598	49.8
109.10155	41.0
109.98245	2.0
110.10547	2.7
111.08081	4.1
111.11684	2.5
117.07037	7.1
119.08585	100.0
121.10139	41.2
123.08092	3.1
123.11712	24.9
127.84365	2.4
129.06990	3.1
131.08582	11.7
133.10136	35.5
133.11104	4.1
135.11708	30.3
137.13263	18.8
139.07516	2.5
140.69792	2.3
143.08551	6.8
145.10130	43.4
147.11690	24.5
149.09695	3.6
149.13301	16.1
151.07544	3.0
157.10126	8.0
158.10968	2.9
159.07985	2.8
159.11734	26.4
161.13251	23.0
163.07516	13.7
163.14845	24.0
171.11682	10.4
173.09671	3.7
173.13295	19.5
174.13577	2.9
175.14864	12.0
176.72055	2.5
177.09108	3.3
177.16368	10.0
179.17935	3.9
185.13248	8.4
187.11211	4.5
187.14850	43.6
189.16403	22.4
191.17953	65.8
199.14784	9.0
201.16405	34.9
203.17949	35.9
205.15961	3.2
205.19556	6.6
207.17444	3.2
211.14850	4.0
213.12843	3.2
213.16423	12.9
215.14310	4.6
215.17949	4.9
217.16116	3.0
217.19568	11.8
219.17491	2.6
221.15398	2.8
227.17961	3.7
229.15956	5.8
229.19543	9.8
233.15387	7.4
243.21175	4.2
245.15430	3.7
247.16904	17.5
259.16907	9.8
269.22659	3.2
315.23090	2.4
391.33606	14.7
409.34775	28.7
437.34348	40.3
455.30566	6.0
455.35272	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	455.3522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93550	2.9
55.05513	17.7
56.96579	4.6
57.03430	4.5
57.07056	4.9
58.24860	3.0
59.04978	2.8
62.18613	2.5
65.99789	2.9
67.05504	38.6
69.03432	5.3
69.07066	24.1
71.04971	10.0
71.61253	5.4
71.61624	3.7
79.05494	27.5
81.07061	60.3
83.04980	6.9
83.08640	14.0
85.06570	2.8
91.05470	30.3
93.07047	50.2
95.04967	5.0
95.08607	74.3
97.06533	5.3
97.10197	5.6
105.06377	4.1
105.07027	54.6
107.08601	84.2
109.06523	7.2
109.10156	50.4
111.08067	13.5
113.09624	2.8
117.07051	7.1
119.07777	4.9
119.08585	77.2
121.06503	5.9
121.10146	65.9
123.08072	6.3
123.11700	16.4
125.09617	3.5
129.07043	5.5
131.08551	30.3
133.09119	3.1
133.10130	54.7
135.08084	6.9
135.11711	24.7
137.09618	6.1
142.07820	3.3
143.08543	14.2
145.10141	44.9
147.08054	5.0
147.11705	35.7
149.09605	7.3
149.13248	25.9
151.11148	5.2
153.09073	4.2
155.08495	4.6
156.09309	6.2
157.10088	15.8
158.10925	3.1
159.08070	5.0
159.11736	33.0
160.12256	3.2
161.09665	5.7
161.13287	30.9
163.11182	16.0
163.14771	21.5
165.09071	3.8
169.10132	9.8
171.11707	15.0
173.11870	5.0
173.13243	27.9
175.11137	5.1
175.14844	37.3
177.12839	4.6
177.16388	50.7
179.14224	3.9
181.10117	4.0
183.11708	7.8
185.13222	14.0
187.11235	4.8
187.14844	34.4
189.12750	6.0
189.16425	40.0
191.14294	7.2
191.17979	10.4
193.12254	4.1
195.11688	3.2
197.13257	8.5
199.14819	10.6
200.15587	2.6
201.12759	4.6
201.16420	19.4
203.14310	8.8
203.17960	43.5
205.14000	6.2
205.15886	100.0
207.17532	14.5
209.13295	3.6
211.14873	7.4
213.12804	3.3
213.16341	6.9
215.14305	4.9
215.17972	13.4
217.12321	4.3
217.15860	4.9
219.17485	4.9
221.18985	3.8
227.17828	5.1
229.15880	4.7
229.19505	7.0
231.17383	5.1
237.16385	3.7
239.17914	7.4
241.19586	7.4
247.16866	5.5
249.18538	7.7
253.19398	5.0
295.20200	3.8
295.24100	4.2
313.25272	7.7
358.44461	3.4
376.98419	3.7
391.29712	17.1
394.99225	12.8
407.29343	4.5
409.30728	8.5
409.35220	37.9
411.27353	3.5
419.29495	8.7
423.15857	3.3
433.41129	3.4
437.29495	28.8
455.30426	46.6
455.35974	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	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.6
55.05520	8.8
57.07074	9.7
62.52771	1.4
67.05507	22.7
69.07066	19.4
71.12859	3.4
79.05505	11.8
81.07059	77.3
81.83075	1.4
83.08617	9.7
89.58044	1.3
91.05479	11.4
93.07048	21.5
95.08610	100.0
96.08916	1.8
97.10149	5.1
105.07037	20.6
107.08593	26.3
107.33731	1.4
109.10163	36.3
111.11724	2.5
117.07008	4.3
119.08582	19.4
121.10161	22.5
123.08070	1.7
123.10812	1.8
123.11713	34.0
128.06219	1.8
129.07005	3.9
131.08577	13.6
133.10152	16.8
135.11710	14.4
137.13258	48.3
143.08554	6.5
144.09372	1.8
145.10115	14.0
147.11674	12.2
149.13254	10.2
151.14839	5.0
155.08519	3.1
157.10138	7.9
159.11690	10.1
161.13278	12.7
163.14844	4.7
169.10089	6.8
171.11693	13.0
173.13254	10.2
175.14841	8.5
177.16403	2.9
179.18001	7.9
183.11681	6.3
185.13313	6.9
187.14839	11.6
189.12637	2.0
189.16441	10.6
191.14310	3.0
191.17952	12.5
197.13313	6.1
199.14830	7.9
201.12698	1.9
201.16353	10.4
203.17955	9.9
205.15962	3.7
205.19504	3.9
207.17393	2.2
211.14778	8.1
213.16383	6.4
215.10559	1.7
215.17941	2.1
217.12238	4.3
217.15868	2.9
217.19556	4.9
219.17432	6.9
225.16504	2.3
227.17946	1.7
229.15897	5.2
231.13750	2.1
231.17415	2.0
233.15446	1.8
239.17984	5.1
241.16367	1.4
241.19521	5.9
245.15347	2.0
246.14473	1.5
247.16989	2.5
253.19592	2.8
255.21188	1.8
257.15439	3.3
267.20981	3.5
285.18552	4.0
391.33905	7.0
409.34698	16.1
434.27454	1.6
437.34909	8.9
455.30518	5.4
455.35229	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	455.3521
Annotation	fatsicarpain D
Peak:m/z	Relative Intensity
55.05509	24.0
57.07078	5.9
57.38665	4.5
67.05504	26.4
69.07072	28.8
69.64628	33.8
74.07610	5.2
79.05499	14.6
81.07050	44.0
83.08619	16.9
91.05476	15.3
93.07040	41.8
95.08613	100.0
97.10162	6.2
102.30064	4.8
105.07030	45.2
107.08601	75.9
109.10156	46.6
117.07032	5.2
119.08575	71.4
121.10144	77.6
123.11720	25.0
131.08588	19.4
133.10135	76.2
135.11713	31.2
137.13286	7.6
143.08542	10.1
145.10132	38.8
147.11665	45.0
149.13243	31.5
153.09149	6.2
157.10100	6.4
159.11679	25.0
161.13252	35.2
163.11241	8.3
163.14827	31.7
165.12753	5.4
169.10172	6.8
171.11667	12.2
173.13283	19.9
175.14824	36.5
177.16382	59.6
185.13271	8.0
187.14793	31.4
189.16396	78.2
191.17941	16.6
195.11806	5.0
197.13251	6.9
199.14822	7.1
201.16370	29.1
203.17989	64.6
205.15887	65.7
207.17439	14.7
213.16354	12.8
215.17889	17.4
217.19460	5.9
221.19043	7.6
229.15845	6.7
229.19397	6.6
235.16945	17.7
241.19476	7.8
247.16902	10.8
249.18526	11.0
257.22437	5.2
261.18509	10.3
391.33755	11.3
409.34778	60.7
419.33121	8.4
437.34445	38.0
455.36023	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	455.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37953	4.5
55.05500	20.0
56.96552	6.1
61.00018	4.8
67.05518	30.9
69.07066	27.1
70.94153	13.5
79.05486	17.6
81.07062	50.9
83.08603	14.4
85.06517	5.8
91.05489	23.2
93.07047	41.1
95.04957	5.2
95.08619	100.0
97.10155	6.3
105.07038	53.1
107.08596	82.2
109.06516	6.5
109.10152	55.4
117.07008	9.2
119.08583	75.5
121.10136	61.0
123.11696	21.0
131.08571	24.2
133.10146	45.7
135.08066	7.3
135.11678	32.5
137.09615	5.7
137.13266	9.2
143.08607	10.1
145.10121	64.3
147.11702	32.9
149.13254	26.3
151.14806	4.6
156.09306	5.9
157.10184	11.1
159.11690	42.4
161.13254	33.5
163.14836	40.5
164.92020	4.6
169.10150	7.5
171.11655	14.2
173.13261	41.3
175.14862	27.8
177.12770	7.6
177.16397	18.5
179.14317	10.7
185.13290	10.3
187.14818	81.5
189.16393	41.3
191.17984	39.6
199.14793	13.9
201.12775	8.0
201.16386	79.4
203.17955	36.6
205.15901	6.4
207.17427	11.7
215.14293	13.4
215.17996	17.1
217.12225	13.7
217.19344	8.7
221.18877	5.3
227.17841	7.3
229.19539	13.2
231.21046	10.0
233.15425	7.9
236.87645	5.4
241.19489	8.0
243.21234	6.6
247.16997	27.2
261.18448	13.1
301.07275	4.7
311.23660	5.3
327.08270	4.9
369.26028	5.3
391.33505	18.4
409.34799	62.0
411.27316	44.1
411.35876	11.7
437.29456	9.1
437.34045	19.6
455.26132	53.8
455.31223	14.0
455.35068	40.2
478.96439	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	455.352
Annotation	Melilotigenin B
Peak:m/z	Relative Intensity
53.03944	6.2
53.51190	6.1
55.05506	21.2
55.60858	5.9
57.03442	7.9
57.07069	10.2
67.05506	23.0
69.07057	30.5
69.94086	18.9
69.94498	16.3
73.02773	5.4
76.15270	6.5
79.05488	21.4
81.07069	40.8
82.67608	6.3
83.04993	8.3
83.08633	9.7
91.05475	22.2
93.07041	51.0
95.08615	91.4
105.07056	48.3
107.08595	71.0
109.06500	6.6
109.10157	38.1
111.08114	7.2
117.07030	15.0
119.08588	79.9
121.10152	51.5
123.08009	10.2
123.11668	8.5
128.58452	6.8
131.08598	35.3
133.10147	100.0
135.11717	22.0
137.09628	11.4
137.13284	9.9
143.08557	14.5
145.10120	49.9
147.11720	38.1
149.09639	12.9
149.13268	40.0
157.10112	23.2
159.11700	58.7
160.12138	6.6
161.09612	7.5
161.13222	40.5
163.14859	30.6
165.12766	12.7
171.11702	18.6
173.13287	50.8
175.14841	37.9
177.16364	26.6
183.11653	13.3
185.13286	21.4
187.14824	40.0
189.16399	36.0
191.14363	8.9
191.17976	18.0
193.15891	17.7
197.13110	8.5
199.14832	26.3
201.16400	31.1
203.14337	30.8
203.17911	14.3
205.15866	19.8
211.14793	7.8
213.16391	22.2
215.18027	36.6
217.15793	7.9
219.17442	7.9
224.15384	6.2
225.16336	13.3
229.19624	7.4
231.17531	10.3
233.19049	13.3
235.17003	11.8
243.17448	8.2
251.20078	27.7
261.18567	38.4
279.19830	7.2
280.53522	6.7
283.26401	11.6
297.81885	6.8
373.41791	7.0
391.33539	7.7
409.34885	7.8
419.33185	42.4
427.31949	17.8
437.20477	8.3
437.34360	70.1
455.35471	99.3
456.44135	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	455.3519
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
54.10878	4.5
55.05511	21.5
67.05506	23.9
69.07057	25.7
69.43677	41.6
77.77649	5.1
78.52100	5.4
79.05491	21.4
81.07061	61.5
83.08620	7.4
91.05496	19.6
93.07047	45.8
95.08613	100.0
97.10158	8.3
105.07037	65.0
107.08595	96.5
108.72298	5.0
109.06491	10.2
109.10172	52.2
111.08087	93.0
115.37811	5.7
117.07028	8.1
117.75640	5.7
119.08582	84.3
121.10154	56.0
123.11711	17.8
125.09623	6.4
131.08580	20.6
133.10126	59.7
135.11705	31.8
139.11255	7.1
145.10120	45.2
147.11688	61.0
149.13266	54.3
157.10114	7.9
159.11671	38.2
161.13242	42.6
163.14809	36.2
173.13301	31.6
175.14832	33.8
177.16411	37.1
187.14857	28.6
189.16377	83.4
191.18001	22.3
199.14725	5.5
201.16412	42.8
203.17961	67.2
205.19499	8.3
207.17490	17.7
213.16524	7.1
213.89388	6.4
215.18040	27.8
219.17465	12.1
221.19029	6.7
227.17856	6.9
231.17487	9.0
235.16991	10.0
240.22910	5.6
247.17018	6.9
249.18503	10.4
255.21107	7.7
269.22766	6.9
391.33539	12.6
397.31277	11.0
409.34735	69.1
425.34290	7.8
437.34274	30.9
442.90771	5.4
455.35233	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	455.3521
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
51.74133	1.7
55.05499	4.3
67.05499	4.4
69.07059	7.3
69.64732	10.5
79.05479	4.5
81.07058	11.1
91.05481	4.0
93.07047	11.6
95.08610	30.0
97.10117	1.6
105.07048	9.4
107.08585	39.5
107.66568	2.0
109.10164	14.1
119.08581	15.5
121.10161	25.1
123.11684	4.2
131.08563	2.7
133.10127	19.7
135.11690	9.7
137.09573	1.9
145.10136	11.6
147.11707	10.4
149.13245	9.7
153.09094	2.4
157.10126	2.2
158.10866	2.4
159.11720	6.4
161.13289	8.1
163.11140	12.0
163.14803	3.9
173.13240	3.6
175.14842	15.9
177.16403	24.4
187.14853	12.2
189.16399	11.7
191.17888	3.7
201.16351	5.0
203.17964	25.5
205.15884	100.0
205.19568	6.3
207.17442	3.4
213.16537	2.1
215.17999	3.5
217.19345	1.9
220.96661	2.1
225.47694	1.5
249.18544	8.0
251.50197	1.8
269.12338	2.3
295.24127	3.3
313.25320	9.1
409.29568	2.2
409.34665	33.0
437.34601	8.0
455.35791	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	455.3519
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05508	4.4
57.07060	1.7
63.90304	1.2
67.05492	7.9
69.07066	8.1
69.11871	1.2
69.25529	6.2
69.25951	5.6
76.55190	1.2
79.05491	7.7
81.07056	15.6
83.04988	1.9
83.08618	3.4
85.06530	2.0
91.05471	7.2
93.07035	15.3
95.04979	1.7
95.08607	22.9
97.06551	3.7
97.10163	1.6
99.08134	1.5
105.07031	17.8
107.08600	24.4
109.06540	3.6
109.10152	15.2
111.08067	1.8
111.53528	1.5
117.07056	3.7
119.08579	28.3
121.06530	2.6
121.10157	13.5
123.08090	1.8
123.11731	5.2
125.05987	7.5
129.07021	1.6
131.08559	5.9
132.41916	1.3
133.10130	26.1
135.08064	2.6
135.11691	25.6
137.09618	1.7
137.13252	1.7
139.07574	2.8
141.07018	1.4
143.08606	4.1
143.76610	1.4
145.10138	14.5
147.11691	14.9
149.09680	3.1
149.13283	4.6
151.11229	3.3
157.10194	4.6
159.08058	2.2
159.11655	9.3
161.09630	3.0
161.13300	5.4
163.11246	1.7
163.14784	8.4
169.10217	2.8
171.11649	4.1
173.09665	5.6
173.13272	4.5
175.11270	5.2
175.14886	6.3
177.09174	3.9
177.12869	1.5
177.16409	2.5
185.13263	2.7
187.11208	10.4
187.14789	11.2
189.12869	1.8
189.16376	44.7
191.10750	4.8
191.18034	3.0
197.13377	5.4
199.14972	2.7
201.16454	4.0
203.18030	4.0
205.15927	5.3
205.19565	1.8
207.17441	88.1
208.17838	1.5
210.47115	1.3
211.14934	4.2
213.16440	2.8
215.14330	15.5
215.18025	1.5
217.15887	1.8
217.19496	1.4
225.16286	1.2
229.15862	78.2
231.17506	8.6
233.15355	32.8
235.16965	2.0
237.14874	1.5
243.17519	5.5
247.16933	31.3
257.19122	1.8
283.20560	2.6
350.80621	1.5
376.53021	1.2
409.34885	2.7
419.33136	3.7
437.34219	36.5
455.35379	100.0
456.35864	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	455.3521
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
55.05502	12.6
61.86790	4.4
64.32880	5.1
67.05495	18.9
69.07080	22.1
71.10678	8.3
79.05487	20.1
81.07059	44.1
83.08606	14.6
89.36696	4.6
91.05477	19.8
93.07057	48.0
95.08611	76.4
95.80185	4.7
105.07027	42.1
107.08600	83.6
109.10162	44.3
117.07050	5.2
118.63383	4.5
119.08586	100.0
121.10168	63.1
123.08008	5.4
123.11676	17.5
131.08569	17.5
133.10132	57.7
135.11705	44.7
137.13254	7.1
145.10117	45.0
147.11699	43.9
149.13248	24.3
153.09093	5.5
157.10123	9.2
159.11746	41.9
161.13251	32.3
163.07573	7.5
163.14793	30.7
171.11722	10.5
173.13306	24.4
175.14836	19.8
177.09171	7.6
177.16370	10.8
179.14334	10.0
187.14784	30.5
189.16364	51.7
191.17999	40.4
199.14844	5.2
201.16382	40.8
203.17941	54.9
207.17468	15.7
215.17979	17.5
217.19508	7.4
221.15341	5.4
221.19022	8.4
229.15871	11.4
229.19554	21.7
233.15434	8.5
235.16910	7.3
241.19492	6.7
243.21117	19.2
247.16974	30.3
255.21017	8.5
267.21143	5.0
269.22601	5.6
269.53415	4.9
273.18243	5.3
275.20071	7.6
289.21738	10.0
301.21716	6.9
315.23300	8.4
323.50549	5.3
349.65088	5.3
391.33698	13.0
409.34698	45.4
437.34265	50.9
455.35190	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	455.3522
Annotation	CHEBI:69223
Peak:m/z	Relative Intensity
55.05502	15.6
55.16031	4.1
57.07067	5.6
67.05490	22.8
69.07076	23.3
69.93073	22.5
79.05493	20.5
81.07068	53.5
83.08604	9.2
91.05492	21.9
93.07052	54.6
95.08612	95.2
105.07035	47.4
107.08596	95.8
109.10162	50.4
111.08086	6.1
117.07014	8.7
119.08588	100.0
121.06480	4.4
121.10157	62.8
123.08103	5.9
123.11693	18.2
125.09666	5.8
131.08565	21.5
133.10132	74.3
135.11716	51.7
137.13237	9.1
143.08617	10.8
145.10126	55.4
147.11678	51.9
149.13306	25.5
151.11272	4.5
153.09111	7.7
157.10170	7.5
159.11693	37.7
161.13232	31.4
163.14857	31.3
165.12726	5.7
171.11690	9.1
173.13277	33.2
175.14825	25.6
177.09172	6.4
177.16380	15.7
179.14314	16.2
185.13319	11.8
187.14839	26.8
189.16385	85.4
191.17973	20.1
199.14825	11.2
201.16403	59.6
203.17957	79.6
207.17493	16.9
210.68924	4.8
213.16371	9.4
215.17953	24.1
217.12250	4.3
217.15955	5.1
217.19583	8.0
219.17299	5.0
221.19016	14.8
227.17937	9.4
229.15901	10.0
229.19574	25.6
235.16954	9.8
241.19461	14.9
243.21039	21.4
247.16910	40.3
249.18712	5.8
255.21149	10.6
257.22653	10.8
261.18564	10.7
261.22110	5.4
269.22626	6.1
273.18405	9.1
275.19974	11.4
287.19980	5.0
289.21625	12.4
295.24155	6.6
301.21671	10.5
313.21240	4.2
315.23245	12.6
331.79749	5.0
376.05234	4.8
391.33643	23.5
409.34732	45.7
437.34256	64.4
437.51233	4.9
455.35376	76.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3522
Annotation	Betulonic acid
Peak:m/z	Relative Intensity
50.35330	0.5
55.05509	2.3
57.07079	0.8
57.80492	0.6
67.05504	3.1
67.93706	0.5
69.03381	0.6
69.07070	3.2
70.10286	1.3
70.10683	1.3
70.93902	0.5
79.05501	2.1
81.07059	5.9
83.04976	3.7
83.08638	1.3
91.05479	2.5
93.07058	5.6
95.04975	1.0
95.08607	9.2
97.06533	0.9
97.10175	0.9
105.07040	8.2
107.08604	9.8
109.06536	0.7
109.10162	6.6
111.08070	1.2
117.07047	1.0
119.08589	7.7
121.10139	5.3
123.08072	1.3
123.11721	2.5
125.09659	1.2
129.07079	0.8
131.08578	2.7
133.10124	5.6
135.08092	1.5
135.11702	6.1
137.13258	0.9
141.96446	0.6
143.08560	1.6
145.10127	3.9
147.07983	0.8
147.11711	2.6
149.09636	2.2
149.13271	2.9
155.08598	0.9
157.10172	1.3
159.11719	3.2
161.09624	1.7
161.13251	3.1
163.14821	1.3
169.10161	0.8
171.11703	1.8
173.09621	0.9
173.13326	2.0
175.11215	1.0
175.14825	5.0
177.16388	3.6
183.11740	1.0
185.13258	1.4
187.14777	3.0
189.12756	0.6
189.16353	4.2
191.14429	0.8
191.17989	2.9
191.65042	0.5
197.13239	0.8
199.14804	2.0
201.12791	1.2
201.16411	3.1
203.14410	0.8
205.16096	1.0
209.13264	1.2
215.18227	0.6
217.15900	1.4
219.14053	0.6
219.17427	0.9
227.18066	1.0
229.15895	0.9
235.16924	1.3
243.17433	1.1
247.17052	1.2
252.85158	0.6
255.21085	0.9
263.19247	0.6
271.94989	0.5
273.22250	0.8
283.20789	0.7
301.21735	2.1
398.93280	0.6
409.34647	0.9
419.32993	0.7
427.35568	1.0
437.34122	2.5
455.35242	100.0
456.35590	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	455.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92025	0.5
56.86916	0.6
56.96530	0.8
60.08144	1.1
66.25036	0.7
67.05478	1.7
69.03403	2.0
69.07049	1.0
69.95297	2.1
69.95693	1.1
71.07327	1.0
77.87392	0.6
79.05461	1.5
81.03408	1.3
81.07027	1.5
81.53918	0.7
85.02892	1.1
85.06519	0.9
86.09686	3.6
87.10020	1.7
89.03902	5.5
89.11977	0.7
91.05428	2.1
93.07015	2.1
95.04950	1.0
95.08586	2.0
97.02859	1.0
98.20843	0.8
99.44560	0.7
100.75420	0.6
102.03725	0.9
103.05461	1.2
104.10743	8.4
105.07003	1.6
105.11040	2.2
106.04208	0.8
107.08595	1.8
109.02872	1.0
109.06528	0.9
109.10158	1.2
117.03383	21.0
119.08554	2.0
119.45172	0.6
121.10202	0.9
124.99964	1.9
127.03909	3.3
131.04868	1.1
131.08542	0.6
132.04765	0.9
133.10136	0.9
134.03584	0.6
135.04419	1.3
135.11627	0.7
137.05994	0.8
137.09616	0.8
142.08644	1.4
145.02850	51.2
145.10094	1.4
147.04388	2.9
149.05972	6.2
149.07407	4.6
151.07538	1.1
153.01930	0.6
159.08070	0.7
159.11618	1.0
165.09000	0.7
177.05472	100.0
178.05818	0.8
184.07330	7.8
185.07701	2.3
248.09207	7.5
261.12692	8.2
275.20349	0.9
277.66510	0.7
293.13943	1.3
293.17239	20.6
325.12183	7.6
397.07593	1.3
437.17493	7.8
437.23825	0.9
455.22501	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	455.2277
Annotation	Incaspitolide D
Peak:m/z	Relative Intensity
53.68675	1.0
55.05503	2.1
55.98789	1.1
57.03428	1.3
67.05512	2.7
69.03420	3.6
69.07066	2.9
69.34779	3.6
69.35199	6.0
79.05471	1.6
81.03430	3.3
81.07058	2.5
85.02910	2.2
91.05465	8.5
93.07047	2.9
95.08601	2.1
103.05466	1.1
105.07053	1.8
107.08630	2.6
109.02880	1.7
109.10162	2.9
119.04953	20.8
119.08583	2.5
121.02921	1.3
121.10110	1.7
125.09561	1.2
127.03911	2.6
127.11111	1.1
131.04944	2.6
133.10127	2.7
135.11664	1.4
137.09636	1.8
139.11163	1.5
145.10153	1.7
147.04410	100.0
147.11729	1.4
157.36000	1.1
165.05513	8.0
165.09108	1.9
248.11612	1.2
291.08643	3.1
293.17020	1.5
309.09708	3.3
397.07452	1.1
455.22354	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	454.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.2
56.96556	2.6
57.03436	24.4
59.04998	3.6
61.02928	6.5
67.05492	3.0
67.81481	2.5
69.03062	5.1
69.03429	80.5
69.07063	7.3
69.17332	2.2
70.84825	4.3
71.04984	6.6
73.02917	4.0
79.05515	2.5
81.03419	8.3
81.07050	3.6
83.04980	3.1
83.08630	5.7
85.02412	4.8
85.02907	74.1
87.04468	50.7
93.07052	2.5
95.04975	4.5
97.02893	64.8
98.97581	3.1
99.04463	2.4
105.07047	3.3
107.08592	2.9
109.02874	3.5
115.03931	80.2
119.08556	3.7
121.10181	2.6
127.03932	14.8
133.04967	100.0
139.07536	2.6
145.04932	22.2
150.07611	12.0
153.12735	2.5
157.29504	2.4
159.17479	2.3
163.05995	6.2
193.12251	3.6
209.15381	8.3
221.15460	3.2
229.06898	2.5
239.16428	4.4
241.07227	2.4
259.08170	4.5
267.09109	8.8
269.17368	3.0
285.10181	14.7
285.12991	2.6
324.11575	6.0
384.99203	2.6
473.82410	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	454.2929
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.80914	0.8
55.05511	2.1
57.03439	4.0
57.06818	1.7
57.07077	21.9
62.06091	24.6
67.05511	4.8
69.07063	3.8
71.05734	1.8
71.06063	1.3
71.08632	13.7
81.07064	7.6
83.08635	4.0
85.10186	9.8
89.06036	1.0
90.60458	0.9
91.98110	0.9
93.07063	1.5
95.08626	9.8
97.10158	1.7
98.98435	5.2
101.04024	0.9
105.07021	1.1
107.08624	1.7
109.10159	4.6
119.08629	1.2
121.10181	1.1
123.11706	1.4
142.02707	0.9
144.26456	0.9
155.01028	5.2
173.02274	1.1
198.05304	1.9
205.15804	1.1
216.06310	2.1
239.23700	2.0
269.12357	0.9
282.27939	11.6
313.27374	100.0
314.27902	2.4
360.86673	0.8
393.24069	5.6
408.33640	1.7
436.28052	2.2
454.28702	1.3
454.34369	1.5
463.32498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	10.2
54.13067	3.2
55.01862	6.6
56.18911	3.7
56.31314	3.0
56.96555	14.2
57.03439	5.6
57.07064	3.9
57.22881	4.3
62.49295	3.2
69.03426	18.8
69.75348	3.3
70.06597	8.1
71.04977	6.8
71.60889	6.2
73.02905	5.9
81.03423	65.7
84.08095	3.5
85.02911	21.9
87.66873	3.7
91.05476	5.4
97.02911	28.7
98.97578	23.0
99.04446	11.5
101.02391	6.9
104.23531	3.3
109.02888	36.7
110.97588	7.6
116.98609	9.1
124.11182	6.6
127.03920	30.1
128.98634	6.9
136.07602	5.3
137.02339	7.5
143.00110	3.7
146.99689	5.2
147.04402	18.5
149.02316	4.7
153.01836	14.7
161.01300	4.4
163.03903	11.2
165.01857	26.5
167.03400	6.1
175.03908	10.5
177.01881	5.8
187.03870	3.9
191.03453	24.3
193.01344	47.9
195.02826	6.9
201.01895	4.4
203.03406	100.0
205.01349	8.5
211.02368	7.8
219.02994	53.2
221.04391	5.7
223.02321	10.1
229.01204	4.3
231.02852	12.8
237.02827	8.5
247.02390	54.4
259.02365	14.9
265.03436	16.0
275.01962	33.4
275.08185	5.2
275.13846	4.5
276.05637	9.1
277.03445	48.8
285.56512	4.5
289.04269	3.9
293.02893	43.1
293.08731	20.4
293.11874	7.0
293.15036	10.7
303.01337	21.2
304.01746	4.9
311.04001	5.2
437.06989	8.8
445.09955	7.6
455.07574	58.5
455.11728	96.1
455.20663	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	454.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.0
55.01866	2.9
55.05514	6.4
56.96566	11.9
57.03181	1.8
57.03440	29.9
57.07072	2.4
59.04999	8.6
60.04516	3.7
61.02930	15.4
67.05504	8.3
69.03430	95.2
69.07070	13.0
69.88992	5.7
70.06586	1.8
71.04994	8.1
73.02913	8.2
75.04481	2.8
79.05482	5.7
81.03421	17.3
81.07065	9.8
83.04998	3.8
83.08633	7.5
85.02907	100.0
87.04469	53.5
91.03967	9.2
91.05496	6.6
93.07050	7.4
95.04990	6.4
95.08610	7.1
96.18059	1.4
97.02898	79.6
97.06535	2.9
98.97584	6.2
99.04451	5.4
101.02374	3.5
103.03972	1.5
105.07063	6.8
107.08606	7.6
109.02883	6.9
109.06525	2.6
109.10149	3.3
110.97582	2.1
111.08093	1.7
112.99129	1.5
115.03936	80.4
117.06973	1.4
119.08596	4.6
121.06487	2.0
121.10145	4.0
122.10485	1.2
123.08126	1.5
123.11684	1.7
125.09627	1.5
127.03912	18.3
128.98613	1.8
129.05530	1.3
131.08531	2.0
133.04968	87.0
133.10136	4.4
135.11659	1.2
137.09610	1.5
139.07547	1.9
143.14307	1.3
145.04965	20.1
145.10104	2.7
146.30943	1.4
147.11707	4.2
149.05916	1.1
149.09621	2.3
150.07626	11.6
153.01909	1.7
153.12653	1.7
157.10179	3.0
158.99646	2.9
159.11757	2.2
161.13240	1.3
163.06039	5.1
165.12709	1.7
169.05013	1.9
173.13254	1.8
175.11087	1.5
185.04892	3.4
193.05144	1.8
193.12167	6.2
195.06760	1.5
203.05859	3.3
209.15407	5.0
211.13310	5.9
219.01759	1.9
221.15366	2.2
223.06244	1.8
235.13422	1.5
237.08012	1.2
239.16405	3.2
241.07129	2.7
241.82980	1.3
243.08900	5.7
249.08029	3.5
249.14830	1.4
259.08044	2.8
267.09048	34.5
267.15866	3.6
268.09436	4.2
277.09045	2.5
285.10101	51.6
285.16891	2.3
286.10361	5.7
290.10712	2.6
295.10376	1.6
299.11673	5.0
303.10968	1.3
308.11823	2.0
309.17078	2.2
315.10983	3.3
315.60959	1.7
317.12689	5.9
324.11484	17.2
324.61572	5.1
337.03568	1.5
340.12881	2.6
348.15097	2.3
364.16663	1.7
373.16846	1.6
378.06064	3.2
396.07169	5.2
408.33405	2.4
409.76718	1.2
429.17709	3.4
432.27243	1.4
454.19647	2.0
454.25009	1.9
454.34317	1.5
477.28506	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01680	0.5
58.06600	11.7
70.06593	28.1
71.16544	0.6
89.88895	0.4
100.07630	3.2
104.96160	0.4
110.41124	0.4
125.97282	0.5
138.05502	2.2
153.01836	0.9
187.97278	0.5
237.05551	1.6
263.03360	0.9
265.01343	1.0
265.04922	0.5
267.02939	0.8
268.10928	0.5
281.04504	1.7
283.02359	4.0
291.02844	2.3
293.00970	0.4
295.02545	0.5
309.03906	3.6
311.01810	2.3
319.02328	1.8
321.00317	0.5
323.01883	1.5
327.01492	1.6
337.03433	37.1
338.03897	1.1
339.01334	11.7
357.02420	0.9
362.02985	0.7
363.04178	0.5
376.04578	3.0
378.06097	38.5
379.06189	1.0
396.07166	100.0
397.07553	2.6
436.10248	1.5
447.59384	0.5
454.11438	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	454.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	1.0
58.06598	2.8
63.70285	0.3
65.09994	0.4
67.04220	1.0
68.04989	1.4
69.03403	0.7
70.06593	15.3
70.72049	1.1
71.06892	0.4
79.05479	0.4
81.07046	0.5
82.06583	10.6
82.07317	0.5
83.07375	2.0
83.08609	0.5
83.64054	0.3
84.08120	0.5
95.08577	0.5
98.06026	0.6
98.97559	0.5
100.07584	0.8
100.11234	1.4
107.08556	0.4
110.06039	6.6
111.06788	1.4
130.81094	0.4
131.04953	0.4
140.10670	0.6
150.31136	0.4
162.05452	1.2
172.78165	0.4
182.15463	2.7
196.23041	0.4
210.14864	3.0
215.03333	0.5
220.07593	0.4
224.67490	0.5
228.16081	0.5
237.05383	0.8
241.01543	0.4
255.02934	0.4
257.00809	0.8
259.02472	0.6
263.03326	0.6
265.01437	0.6
265.04883	0.6
266.08163	0.5
267.02960	0.7
271.02402	0.8
281.04425	0.6
283.02359	5.4
285.00323	0.5
291.03030	1.2
293.00790	0.9
297.00494	0.8
299.01849	4.8
309.03918	2.4
311.01874	2.0
312.05038	0.7
312.99826	1.0
315.01367	3.6
321.03766	0.5
322.07211	0.7
323.01749	2.9
325.03238	0.6
335.04401	0.4
337.03433	10.0
339.01334	9.9
340.04541	0.7
349.03247	0.5
352.04520	3.4
362.02951	0.6
363.03448	0.5
365.02942	1.2
368.03867	3.1
368.07916	5.4
376.04501	0.9
378.06082	49.4
379.06183	2.0
380.03888	0.4
396.07156	100.0
397.07477	3.3
428.30646	0.4
436.10373	2.0
436.31485	0.5
454.11346	26.1
454.33072	1.1
455.11893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3367
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.16096	2.8
55.05509	18.8
57.07067	6.4
61.12594	2.8
67.05518	26.7
69.07070	20.6
71.10178	7.3
79.05502	22.8
81.07057	56.4
83.04978	16.1
83.08612	14.0
91.05483	30.1
93.07049	52.2
95.04958	9.5
95.08035	5.5
95.08610	87.5
97.06461	3.2
97.10165	5.9
98.21167	3.5
105.07040	67.4
105.50195	2.5
107.08601	72.3
109.06542	6.5
109.10157	49.5
111.08093	9.3
117.07032	10.9
119.08586	100.0
119.09448	5.7
119.39865	2.8
121.06490	4.4
121.10159	53.8
123.08037	3.6
123.11703	23.5
125.09624	9.2
129.07004	4.2
131.08559	34.4
133.10144	70.7
135.08067	3.4
135.11693	24.8
137.09630	5.0
137.13310	4.7
143.08578	14.4
143.67159	2.7
144.09341	4.2
145.10126	65.8
147.11702	37.5
149.09656	4.2
149.13177	16.6
151.11226	6.6
157.10129	24.2
158.10844	4.7
159.11714	46.9
161.09650	3.9
161.13283	28.3
163.11125	6.0
163.14833	14.4
165.09192	4.0
169.10138	5.7
171.11693	13.1
172.12427	3.8
173.13289	33.6
175.14830	39.2
177.16426	22.4
183.11722	7.6
185.13281	4.3
187.14838	57.0
189.16393	53.7
191.14348	14.5
191.17920	13.5
195.11569	3.1
197.13260	6.6
199.14865	12.6
201.16374	53.4
203.14293	7.4
203.17958	36.2
205.15866	51.2
205.19481	4.0
211.14755	4.5
213.16438	20.8
215.17967	25.7
217.15849	10.8
217.19583	4.9
219.17426	28.7
225.16362	5.6
227.17870	4.0
229.19438	5.7
231.17416	4.5
233.18954	3.9
235.16951	10.7
241.19347	5.4
243.21014	3.6
247.16936	10.1
253.19629	4.1
255.21088	4.3
259.16788	4.3
261.18488	11.1
267.20990	6.8
301.21472	3.2
311.41422	3.4
314.13580	2.9
315.27026	3.3
379.33560	3.9
389.32065	14.6
407.28394	4.2
407.33112	52.1
409.34515	6.6
423.32687	6.6
435.32727	19.3
453.33902	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	453.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.1
55.05500	22.2
57.07064	5.5
62.49679	4.4
65.03942	4.9
67.05508	30.6
69.03419	7.8
69.07069	20.1
70.55396	7.5
70.55727	8.4
72.12926	4.2
79.05480	24.5
81.03411	6.3
81.07058	58.7
81.56190	3.9
83.04974	19.1
83.08635	11.0
85.02922	3.7
85.06542	4.5
91.05477	27.0
93.07045	60.6
95.04973	9.2
95.08606	85.9
97.02869	4.1
97.06537	6.8
97.10171	5.3
98.21512	3.8
105.07036	73.4
107.08588	83.8
109.06554	5.9
109.10157	46.4
110.40926	4.0
117.07049	11.5
118.01018	4.2
119.08583	100.0
121.10150	61.7
123.08072	10.1
123.11721	21.8
125.09608	5.4
129.07002	7.1
131.08583	34.2
133.10115	75.8
135.11708	26.7
137.09610	7.9
143.08568	18.8
145.10121	62.7
147.11707	40.6
149.13239	12.3
151.11278	5.8
156.09317	4.2
157.10129	20.3
159.11688	60.2
161.09602	4.0
161.13271	26.4
163.14886	12.2
171.11716	15.0
171.76149	3.9
173.13290	31.7
174.13817	4.0
175.14839	33.6
177.09024	4.6
177.12909	4.5
177.16418	21.7
183.11700	5.1
185.13269	7.4
187.14825	55.5
189.16402	42.0
191.14294	21.6
191.17982	15.4
193.05423	4.8
197.13245	5.5
199.14836	16.3
201.16386	49.6
203.14386	10.5
203.17937	30.4
205.15891	61.7
207.17470	6.0
211.14864	5.6
213.16362	27.3
214.07520	4.1
215.18028	19.9
217.15828	9.3
217.19518	6.2
219.17450	24.0
229.15939	8.9
229.19557	4.1
231.17549	6.4
233.18871	6.3
235.17021	13.7
239.17876	5.1
241.19475	6.8
243.21094	7.4
247.16969	13.3
255.21056	4.7
261.18484	4.8
267.09094	4.8
267.21085	6.9
281.22607	4.2
299.11752	6.7
311.23669	6.4
389.32056	9.2
407.33127	74.7
435.32666	16.0
453.24738	4.9
453.33997	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	4.0
55.05518	17.2
57.07068	5.7
62.76159	2.7
65.03914	3.9
67.05508	26.6
69.07066	20.2
69.44576	2.3
69.46870	19.8
79.05498	23.3
81.07063	57.3
83.04983	25.2
83.08619	10.4
91.05476	29.7
93.07052	51.5
95.04956	7.2
95.08606	73.1
97.06516	4.3
97.10157	5.8
105.07042	72.8
107.07854	4.1
107.08599	83.5
109.06539	6.9
109.09441	4.9
109.10165	57.3
111.08067	5.7
117.07005	7.5
119.08584	100.0
121.06523	3.9
121.10152	64.5
123.08090	5.6
123.11729	22.2
125.09616	11.6
128.06190	4.5
129.06958	7.6
131.08580	32.8
133.10133	69.1
135.11699	27.7
137.09628	3.7
137.13306	5.0
143.08546	19.9
144.09363	4.7
145.10124	56.7
147.11682	40.7
149.13286	15.2
151.11169	10.5
156.09224	3.8
157.10139	12.9
159.11691	54.4
161.13263	36.2
163.14847	23.5
169.10110	3.0
171.11722	13.5
172.12526	4.4
173.13258	32.7
175.14827	48.2
177.16400	37.7
183.11714	3.8
185.13235	9.0
187.14827	62.1
189.12759	3.3
189.16393	64.2
191.14302	14.7
191.17908	14.6
193.15916	6.7
199.14859	15.9
201.16386	64.6
203.14343	4.0
203.17953	40.5
205.15851	17.7
205.19548	3.5
207.17532	3.3
211.14775	4.3
213.16385	48.1
215.17981	26.6
217.15921	6.2
217.19514	24.4
219.17430	33.2
223.14716	4.3
224.50487	2.9
227.17943	8.6
229.19496	4.3
231.17345	3.2
233.18999	6.2
235.16882	7.4
239.17746	5.1
241.19534	11.3
243.21054	6.0
245.22610	6.1
247.16925	3.5
255.21123	6.8
257.22522	3.7
261.18591	8.2
267.21097	19.1
269.22586	4.2
281.22623	3.9
333.25986	3.2
389.31943	10.3
391.33511	3.4
407.28458	3.5
407.33203	48.4
409.34604	18.0
423.32700	5.6
424.50745	3.3
435.32602	10.2
442.39279	2.8
453.34317	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	453.3363
Annotation	Stellettin J
Peak:m/z	Relative Intensity
54.42612	3.4
55.05518	22.7
57.07081	5.6
66.48822	3.5
67.05505	25.0
69.07066	24.4
69.24102	32.5
69.24522	8.7
79.05482	22.2
81.07062	59.1
83.08624	13.3
91.05487	26.5
91.28804	3.6
93.07040	51.5
95.08611	91.4
97.10172	5.3
105.07030	63.1
107.08595	87.9
109.06522	4.7
109.10162	54.0
111.08070	24.2
117.07021	12.7
119.08580	100.0
120.04840	3.4
121.10154	54.7
123.11727	18.0
125.09566	4.4
129.06993	8.6
131.08569	38.4
133.10141	56.8
135.11722	31.0
137.13225	4.4
139.11159	3.8
141.06964	5.8
142.07762	4.5
143.08571	19.5
145.09006	6.2
145.10139	86.5
147.08087	3.7
147.11690	41.2
149.13249	33.7
153.09134	5.9
155.08542	8.6
156.09290	4.5
157.10136	26.1
158.10983	4.1
158.99399	4.4
159.11703	45.7
159.52699	3.7
161.13255	34.5
163.07631	3.8
163.14821	15.4
163.81500	3.8
165.12735	4.2
169.10097	12.8
171.11678	34.0
173.13278	36.3
175.11076	4.2
175.14819	42.4
177.09044	7.5
177.16435	20.1
179.14317	4.4
183.11678	12.3
185.13248	13.5
187.14833	31.2
189.16373	35.3
191.17957	5.1
193.15858	5.0
195.11752	4.3
197.13275	18.3
199.14859	32.2
201.16396	59.7
203.17944	19.5
205.15858	10.9
207.17453	4.1
209.13280	8.4
211.14848	8.9
213.16290	25.0
215.14313	4.2
215.18004	16.4
217.12286	4.7
217.15927	9.0
217.19456	4.5
219.17450	10.8
223.14842	4.3
225.16458	5.2
227.17993	14.1
229.19489	6.2
233.18964	4.9
237.16243	5.6
239.17938	15.6
241.19484	28.3
243.21181	8.5
245.15381	10.0
245.18828	4.2
247.16890	12.4
251.17705	5.1
253.19548	16.2
255.21146	10.9
259.16864	7.9
259.20621	4.1
265.19431	4.7
267.21121	16.3
269.22858	4.4
273.18607	5.6
285.18555	8.6
287.20084	6.2
293.22733	6.1
299.20038	11.8
301.94659	4.1
311.23828	8.8
349.28839	5.5
389.31854	16.1
395.29309	6.4
407.33109	57.9
408.54050	4.1
435.32736	50.3
453.33865	81.5
454.33853	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
53.03957	4.2
55.05503	18.3
57.07077	5.2
58.15646	3.5
67.05515	27.9
69.07078	23.6
70.20448	13.3
79.05482	26.2
81.07055	64.4
83.04985	19.3
83.08608	9.0
91.05498	24.1
93.07050	52.2
95.04986	14.4
95.08613	91.9
97.10208	6.5
105.07040	75.2
107.08598	86.4
109.06521	8.9
109.10165	54.6
111.08094	15.2
117.07021	11.0
119.08586	100.0
119.09439	4.8
121.10149	60.2
123.08138	4.1
123.11676	20.0
125.09639	7.9
129.07002	6.0
130.07837	4.5
131.08574	45.8
133.10141	63.1
135.11711	36.3
143.08510	21.4
145.10133	66.6
147.11725	49.9
149.13226	28.5
151.11192	7.3
155.08548	4.5
157.10152	18.5
159.11687	61.6
161.13254	40.2
163.11124	4.8
163.14819	17.8
165.12679	5.3
169.10228	8.5
171.11714	19.6
173.13277	39.2
175.14841	43.4
177.16405	24.3
183.11713	8.7
185.13258	9.9
187.14824	48.5
189.16389	55.2
191.14293	10.5
191.17949	17.8
193.15880	4.5
199.14818	17.7
201.16399	75.2
203.17969	30.5
205.15939	24.4
207.17450	5.5
213.16402	32.8
215.17924	41.2
217.15930	17.8
217.19470	8.1
219.17480	41.0
225.16408	5.7
227.17987	7.1
229.19603	6.3
231.17503	6.1
233.19052	5.7
235.16925	13.8
239.18037	6.2
241.19545	15.2
243.21086	5.5
247.16835	19.0
248.23473	4.0
249.18655	5.0
255.21153	7.8
261.18436	18.6
265.19263	5.9
267.21082	11.3
281.22522	5.6
285.18414	6.0
341.25046	4.7
349.29062	6.5
359.41565	4.3
389.32080	17.0
395.29361	7.3
407.33124	76.3
435.32657	29.7
453.33664	81.7
454.33804	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
51.05902	2.2
53.03928	3.2
55.05511	18.1
57.07075	6.4
65.03923	2.7
67.05506	22.3
69.07063	20.2
69.55152	7.6
69.55575	8.2
79.05489	19.4
81.07059	58.6
83.04976	13.2
83.08616	15.0
91.05479	28.1
93.07049	53.7
95.04955	4.8
95.08612	80.5
97.10172	4.2
105.07034	79.9
107.08595	87.8
109.06535	5.7
109.10155	41.7
111.08073	6.3
115.05484	2.4
117.07042	12.7
119.08583	100.0
121.10149	65.7
123.08092	5.6
123.11711	25.4
125.09630	9.0
129.06998	3.6
130.07777	4.1
131.08562	38.7
133.10130	76.5
135.08052	2.6
135.11716	33.2
137.09570	4.3
137.13289	2.7
142.07729	2.8
143.08560	19.0
144.09325	4.2
145.10133	71.0
147.11691	33.8
149.09618	4.9
149.13290	14.7
151.11200	5.2
153.09161	4.9
155.08498	3.5
156.09312	2.7
156.66003	2.2
157.10130	17.5
159.11699	59.9
161.13258	27.8
163.07648	2.8
163.11107	3.0
163.14854	12.6
169.10164	3.3
170.10825	2.8
171.11659	13.7
172.12514	2.5
173.13286	37.2
175.14851	43.3
176.12079	2.2
177.09123	3.4
177.12750	2.7
177.16394	22.6
179.14384	4.7
183.11685	6.8
184.12576	3.0
185.13261	9.1
187.13136	3.1
187.14818	62.2
187.16394	4.2
189.16382	49.5
191.14311	16.1
191.17920	19.4
193.15877	7.8
197.13316	6.3
199.14833	16.3
201.16397	73.1
203.14355	4.9
203.17917	21.9
205.15880	53.3
205.19576	2.3
207.17522	4.4
211.14920	5.5
213.16422	32.2
215.17961	30.4
217.15886	8.4
217.19505	7.4
219.17447	36.3
222.10614	2.5
223.14758	3.0
225.16260	3.2
227.17978	3.8
229.15935	2.7
229.19554	3.9
231.17459	7.9
233.15376	3.7
233.19005	8.0
235.16951	10.2
241.19539	8.0
243.21103	5.7
247.17012	12.4
253.19629	3.9
255.21037	4.0
259.16898	3.3
261.18597	4.2
267.21133	12.8
269.22675	3.6
281.22717	4.3
389.31995	14.0
407.33078	79.4
409.34708	4.9
423.32547	6.4
435.32574	25.0
453.33710	45.5
454.33926	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	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.7
57.07079	5.1
67.05486	19.4
69.03423	4.7
69.07072	18.0
69.63937	13.9
69.64338	14.6
79.05486	14.5
81.07059	55.5
83.04965	16.9
83.08626	19.8
91.05479	34.8
93.07055	47.0
95.04976	5.9
95.08618	83.2
98.20730	9.2
105.07034	67.9
107.08595	69.2
109.06502	6.3
109.10142	45.7
111.08119	6.1
116.98842	4.0
117.07018	11.7
119.08576	100.0
121.10148	65.3
123.08060	6.8
123.11709	31.5
125.09575	8.9
131.08574	32.4
133.10139	63.8
135.11682	19.9
143.08549	14.2
145.10130	72.2
147.11697	35.8
149.13255	10.8
151.11147	5.0
153.09163	5.1
157.10115	18.6
159.11702	51.9
161.13248	27.4
163.14836	12.5
171.11714	12.2
173.13272	38.3
175.14821	38.5
177.09241	6.9
177.16429	21.1
185.13161	9.1
187.14822	52.3
189.16374	55.1
191.14313	14.8
191.18015	14.9
199.14810	16.7
201.16371	62.1
203.17972	25.4
205.15887	40.5
207.17517	4.7
213.16405	27.4
215.17990	34.4
217.15939	9.1
217.19487	6.1
219.17421	31.2
223.17064	3.7
227.17940	5.0
231.17534	7.6
235.16942	15.7
238.81532	4.5
247.16908	14.7
249.79478	4.4
261.18619	12.0
267.21005	10.0
322.56256	4.5
339.04877	5.5
363.45941	4.7
389.31894	6.5
407.33112	60.2
409.34891	7.3
423.32629	6.1
435.32458	15.8
449.07880	5.2
453.33731	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.01862	5.0
55.05503	18.9
56.96560	7.7
57.03432	6.9
57.07068	5.3
61.02916	5.4
63.96710	2.9
65.49612	2.8
67.05499	48.0
69.03424	11.7
69.07076	18.8
69.07387	2.7
70.14863	11.4
71.04990	9.6
79.05494	33.0
81.03423	18.4
81.07056	100.0
83.04983	21.2
83.08609	14.8
85.02900	11.8
85.06532	6.6
86.09625	4.0
91.03966	4.3
91.05476	39.4
93.07038	68.9
95.04976	14.8
95.08603	80.3
97.02901	11.9
97.06540	7.9
97.10156	3.8
98.97612	6.5
102.59644	2.7
105.06365	5.6
105.07027	76.3
107.08596	78.2
109.02882	6.5
109.06515	10.1
109.10146	53.2
110.97572	2.9
111.08072	12.7
116.98594	4.2
117.07017	13.6
119.08575	92.0
121.06474	4.7
121.10143	58.4
123.08064	8.9
123.11707	29.2
125.09627	8.6
128.06171	7.4
129.07024	10.0
131.04918	6.5
131.08540	41.9
133.10130	69.5
135.04410	20.7
135.08041	10.5
135.11710	25.8
137.09624	9.6
142.07814	5.7
143.08546	18.9
145.06471	5.6
145.10117	58.5
146.79002	2.9
147.08049	4.6
147.11684	38.9
149.09618	10.0
149.13274	22.7
151.11191	7.4
153.09109	5.6
155.08566	4.2
156.09393	4.9
157.10172	19.4
158.10861	4.3
159.11699	47.6
161.13260	27.0
163.11197	5.7
163.14824	17.0
165.09108	7.7
165.12738	4.2
169.10123	6.4
171.11705	15.1
173.13263	28.4
175.11148	8.6
175.14828	35.5
177.12735	7.1
177.16405	18.9
181.14214	2.9
183.11714	10.0
185.13248	15.5
187.14832	44.3
189.12822	3.8
189.16373	46.0
191.14340	16.0
191.17924	18.3
193.12239	10.7
195.11636	3.7
197.13260	10.3
199.14795	15.3
201.16367	48.3
203.07050	6.0
203.14272	7.2
203.17920	28.3
205.15869	50.9
207.17477	6.7
211.13248	8.7
211.14967	5.3
213.16396	22.3
215.18013	22.1
217.15881	10.4
217.19426	7.9
219.17438	21.6
225.16451	6.9
227.17976	5.3
229.15860	7.5
229.19595	6.1
231.17320	5.5
233.19025	7.1
235.14861	3.8
235.16951	11.6
239.17909	5.3
241.19485	11.0
247.16975	12.1
249.18532	3.7
255.21216	5.6
261.18457	5.1
267.09045	11.9
267.21112	9.2
268.09698	5.1
268.12384	5.8
269.10620	8.4
273.18604	3.6
281.10641	8.6
285.10013	5.3
299.11783	17.9
311.23489	5.4
316.11755	9.6
331.12314	18.9
331.62402	3.8
353.10037	4.0
385.39154	3.5
389.31848	10.2
407.28461	5.3
407.33154	54.4
409.34274	4.3
435.33347	17.2
437.18985	3.7
453.27847	20.4
453.34738	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	453.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
54.42402	3.4
55.05504	12.7
56.32791	3.8
57.07064	4.5
61.26229	4.1
67.05499	27.1
67.99908	3.6
69.07053	14.5
69.59016	26.3
70.76642	3.5
71.58601	3.5
79.05492	18.5
81.07062	56.9
83.04971	17.6
83.08622	9.5
85.82651	3.6
91.05493	23.9
93.07047	43.0
95.04999	6.9
95.08608	91.9
97.10169	6.5
105.07029	80.0
107.07905	3.5
107.08594	80.1
109.06516	6.8
109.10167	55.2
111.08073	6.8
117.07019	16.1
119.08577	100.0
121.10155	61.7
123.08073	7.9
123.11697	21.5
128.06224	4.8
129.06953	4.5
131.08600	41.9
133.10139	70.3
135.11681	27.3
137.09706	5.4
139.80020	4.2
143.08545	15.9
144.09328	5.6
145.10135	69.5
147.11678	37.3
149.13210	19.2
151.11241	5.7
157.10153	21.0
158.10905	4.4
159.11696	56.4
161.13234	23.7
163.14833	14.4
171.11708	13.7
173.13275	34.9
175.11172	4.5
175.14848	39.6
177.12766	6.8
177.16393	24.7
185.13185	12.1
187.14828	53.2
189.16367	53.7
191.14313	29.7
191.17947	21.3
193.15811	4.2
197.13313	6.4
199.14822	19.9
201.16400	62.8
203.14307	14.4
203.17950	33.0
205.15869	56.9
205.19437	4.1
211.14867	7.0
213.16376	28.3
215.17888	22.3
217.15941	8.4
217.19514	5.6
219.17467	39.6
229.15799	11.5
230.23474	4.2
231.17407	7.1
233.19099	4.4
235.16881	18.7
241.19661	6.8
243.17340	4.6
243.21193	4.4
247.17032	18.5
255.21001	8.8
261.18497	6.8
267.21136	7.8
269.22693	4.1
311.23782	5.3
389.32028	11.1
407.33093	76.3
435.32352	14.0
453.33597	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	453.3364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22097	1.9
53.03953	2.7
55.05511	19.1
57.07064	6.2
58.11103	1.8
65.03947	2.8
67.05212	2.4
67.05511	24.8
69.07065	22.4
70.77463	2.4
70.77794	3.8
79.05490	24.7
81.07055	59.6
82.01437	1.9
83.04978	18.7
83.08633	12.3
86.30453	2.0
91.05477	28.3
93.07050	59.4
95.04971	11.4
95.08608	91.3
97.06558	3.7
97.10166	5.5
105.07032	80.6
107.08594	89.0
109.06511	8.3
109.09439	3.6
109.10157	53.8
111.08073	7.1
115.05461	3.0
117.06999	10.8
119.08580	100.0
120.08926	3.3
121.06516	2.2
121.10146	66.3
121.11014	3.9
123.08077	6.1
123.11721	23.0
125.09609	9.8
128.06155	2.6
129.07001	7.6
130.07800	2.2
131.08559	38.1
133.10135	71.5
133.26816	2.3
135.08057	5.2
135.11690	25.5
137.13229	3.7
142.07849	2.2
143.08566	20.3
145.10123	68.3
145.11270	4.7
146.10724	2.8
147.08102	2.4
147.11705	43.9
149.09602	5.2
149.13281	21.1
151.11176	7.1
153.09103	5.9
153.12715	2.3
156.09283	2.1
157.10136	15.3
158.10913	2.8
159.11702	63.4
161.09747	2.4
161.13274	31.5
163.11186	6.4
163.14824	22.6
165.12764	3.5
169.10130	5.1
170.10945	3.2
171.11708	13.5
172.12444	3.3
173.13274	40.6
175.14835	44.6
177.12752	3.9
177.16393	37.8
183.11726	4.3
185.13237	11.7
187.14810	70.1
189.12743	2.8
189.16396	78.8
191.14322	25.8
191.17940	17.6
193.15837	4.6
197.13281	3.1
199.14784	19.6
201.14525	4.8
201.16388	86.7
203.14302	6.3
203.17955	48.7
205.15869	45.1
205.19318	3.5
207.17395	4.4
211.14870	2.9
213.16388	34.2
215.17964	32.7
217.15909	19.5
217.19412	9.8
219.17429	41.0
221.15497	2.5
227.17986	2.9
229.15826	3.8
229.19499	4.2
231.17479	9.3
233.18987	7.9
235.16902	13.9
239.17950	2.5
241.19469	8.1
243.17178	2.4
243.21111	4.6
245.18987	4.2
245.22711	3.2
247.16969	10.2
249.18472	6.1
255.21063	6.8
257.22775	3.4
261.18451	8.5
265.19727	2.2
267.21063	9.1
269.22607	3.5
281.22397	2.7
341.24973	3.1
379.33539	4.6
389.31961	11.9
406.22644	2.3
407.33105	69.9
409.34610	8.0
423.32559	7.2
425.34012	3.3
435.32635	19.4
453.27808	3.3
453.33627	40.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93542	3.0
52.26087	3.0
53.03940	5.1
53.83082	3.4
55.01875	4.2
55.05511	21.1
56.96577	7.8
57.07074	6.2
57.23753	3.0
59.04985	2.8
61.02925	4.4
65.03938	7.0
67.05507	39.9
69.03430	9.6
69.07068	27.6
70.66222	8.9
71.04988	7.3
74.86924	3.1
77.68861	2.9
79.05492	25.3
81.03413	13.0
81.07059	68.8
83.04989	20.9
83.08609	12.9
85.02918	8.5
85.06538	4.5
91.05492	36.0
93.07047	63.3
95.04974	14.2
95.08614	84.5
97.02899	5.1
97.06522	9.6
97.10187	4.2
98.97591	4.7
99.04467	4.1
99.08129	5.0
100.11279	3.4
105.07034	83.9
107.04953	5.7
107.07863	3.9
107.08594	78.4
109.02872	10.7
109.06522	10.9
109.10161	50.4
111.04394	3.6
111.08089	8.5
115.05444	4.4
117.07005	13.8
119.08591	100.0
121.06516	6.2
121.10148	64.2
123.08081	10.6
123.11725	26.5
125.09639	8.4
127.03911	7.4
127.46557	3.1
128.06200	3.6
129.07019	7.7
131.08565	41.7
133.10132	72.3
135.08054	8.2
135.11664	31.7
137.06009	5.1
137.09616	9.0
137.13281	3.8
138.18655	3.2
139.11159	4.1
142.07814	5.0
143.08537	16.0
145.05031	3.2
145.06306	3.6
145.10121	65.6
147.11685	42.4
149.09656	6.8
149.13261	28.7
151.11198	8.6
153.09105	5.7
155.08546	4.7
156.09291	3.0
157.10143	21.4
159.11693	56.4
161.09644	7.9
161.13260	34.3
163.11143	7.4
163.14798	25.9
165.09125	8.7
167.06967	3.3
169.10175	5.4
171.11765	18.7
173.09621	4.5
173.13277	33.3
175.11200	6.0
175.14816	41.0
177.12717	5.3
177.16385	27.7
183.11711	5.8
185.13246	18.3
187.14827	58.6
188.15158	3.7
189.12796	4.3
189.16397	56.4
191.14255	16.2
191.17996	16.8
193.10257	3.5
193.12100	4.0
193.15866	6.7
197.13252	4.8
199.14832	19.0
201.16408	64.2
202.16728	3.9
203.14465	5.6
203.17978	39.3
205.15845	28.9
209.13342	4.3
213.16403	36.9
215.14476	4.0
215.17952	27.0
217.15935	9.0
217.19550	12.9
219.17442	23.6
225.16306	4.0
227.18080	4.9
229.15828	4.5
231.17529	3.8
233.19014	5.0
235.16956	5.9
241.19438	6.3
243.21100	5.0
247.16930	7.9
255.21042	5.3
257.18964	3.7
261.18710	4.2
267.17868	3.1
267.21082	9.9
273.18555	5.3
273.22021	4.9
285.10043	5.1
291.19519	7.1
389.31976	8.8
396.07175	11.6
407.33228	45.8
409.34677	11.0
435.33127	17.3
453.24860	28.0
453.34308	33.7
454.11334	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	453.3365
Annotation	Stellettin J
Peak:m/z	Relative Intensity
55.05507	16.8
57.07065	6.5
65.03922	3.4
67.05507	24.5
69.07067	27.5
71.06189	5.3
79.05496	25.1
81.07056	53.6
83.08627	9.9
88.09357	3.3
90.48611	2.8
91.05466	26.7
93.07043	51.7
95.08608	100.0
97.06504	3.1
97.10184	4.7
104.90302	3.2
105.07034	71.7
106.07327	3.7
107.04980	2.9
107.08592	81.3
107.09278	6.3
109.06490	6.5
109.10159	55.9
111.08054	4.9
117.07027	9.6
119.08581	93.7
121.06490	4.9
121.10146	58.1
123.08085	4.6
123.11692	19.4
128.06219	4.8
129.06976	9.1
130.07736	3.5
131.08578	39.8
133.10130	70.3
135.08051	3.2
135.11705	29.0
137.09541	3.0
137.13315	4.1
142.07753	5.1
143.08553	18.2
145.10120	55.2
147.08080	7.1
147.11687	34.6
149.09657	3.3
149.13283	28.1
155.08586	7.4
157.10130	30.2
159.11719	38.3
161.13258	34.8
163.07568	3.3
163.14752	17.6
169.10158	18.4
171.11697	20.4
173.13272	33.3
175.11215	5.3
175.14830	46.7
177.16406	19.1
179.14336	5.1
181.10181	5.4
183.11700	12.3
185.13251	16.7
187.14804	37.8
189.12926	3.5
189.16402	43.7
191.17905	9.7
193.15875	5.6
197.13185	5.9
199.14848	30.1
201.16383	52.4
203.14288	4.8
203.17999	16.1
205.15892	10.9
209.13321	6.3
211.14764	5.4
213.16397	33.0
215.17926	22.1
217.15932	8.2
217.19556	4.1
219.17465	13.6
223.14963	6.2
225.16312	6.2
227.12721	3.9
227.17917	21.0
229.19516	9.8
231.17538	9.5
233.19154	6.3
235.16931	6.0
237.16350	5.9
239.17967	12.4
241.19545	12.2
243.21219	5.0
247.16980	10.5
249.55692	3.5
251.18044	3.9
253.19530	11.8
255.21074	7.5
257.18958	3.8
259.16922	8.1
261.18561	7.1
265.19598	6.4
267.21066	16.0
269.22827	6.3
273.18494	5.7
279.20941	6.4
285.18607	4.1
285.22021	5.4
293.22675	13.6
299.19998	7.2
311.23758	11.1
313.21600	4.7
319.24179	4.9
327.23178	4.8
351.11691	3.4
353.24774	3.5
363.30612	5.4
389.32080	28.2
407.33102	66.7
417.31400	4.0
425.34186	9.1
435.32623	81.4
445.68268	3.4
453.28021	4.3
453.33768	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.0
67.05497	1.8
69.03414	2.8
69.07065	1.9
69.47015	3.1
69.47424	2.1
71.04995	2.2
79.05473	1.2
81.03417	4.2
81.07062	2.9
85.02902	2.1
85.06538	1.0
88.23706	0.7
91.05480	9.6
93.07043	2.7
95.08593	3.8
97.02883	1.1
97.06483	0.8
98.20744	1.7
105.07019	3.2
107.08591	3.2
109.02855	2.1
109.10170	2.2
111.08076	0.9
119.04099	1.0
119.04946	19.8
119.08572	2.8
121.06464	1.4
121.10116	1.3
123.08114	1.4
123.11713	1.0
127.11182	7.5
131.08540	1.1
133.10126	2.1
135.08018	4.0
135.11671	0.9
137.09685	1.7
145.10120	1.7
147.04413	100.0
147.11684	1.1
148.04793	1.2
148.07521	1.7
149.07957	1.7
151.07547	1.4
157.10092	1.2
159.11734	1.3
160.07693	0.9
165.05499	4.6
165.09088	1.4
171.11623	0.9
173.13248	1.3
175.14864	1.7
185.13257	0.9
187.14819	1.8
220.09764	2.1
221.10002	2.2
227.08105	1.3
241.09840	1.1
243.11275	1.0
255.17358	1.1
270.09537	1.3
273.18466	2.7
285.12436	1.6
286.12827	1.4
288.10428	1.3
291.08740	4.1
291.16571	0.7
291.19550	4.0
302.12106	0.8
309.09872	3.8
312.10559	2.5
321.01657	1.2
329.11340	5.6
330.11642	13.1
378.06522	0.8
396.06931	1.1
437.91266	0.8
453.24994	1.0
453.30060	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
57.95232	0.4
67.05486	0.6
69.48369	2.3
69.48777	1.0
77.03981	0.6
79.05489	4.2
81.07052	1.6
87.04474	1.6
89.06027	6.5
91.05491	2.0
93.07046	4.1
95.04965	2.1
95.08602	1.7
98.20791	0.9
102.62933	0.5
103.05474	3.4
105.07032	100.0
106.07370	1.2
107.07098	0.6
107.08608	1.1
109.10191	0.6
117.56171	0.4
119.08572	2.0
121.06511	11.6
121.07353	0.7
121.10161	0.9
129.07018	0.6
131.08571	1.0
133.08624	3.9
133.10124	0.8
139.07520	0.9
140.49420	0.5
145.10173	0.8
147.08032	3.4
149.09625	0.5
156.61241	0.4
159.11742	0.6
165.09131	6.9
166.94540	0.4
175.14821	0.5
187.14948	0.5
209.13293	1.8
216.18208	0.5
223.11282	0.9
225.12811	0.7
227.12779	40.3
243.22359	0.4
252.29573	0.4
270.46799	0.6
275.86093	0.4
299.16525	0.6
308.01944	0.5
331.19064	2.9
406.31772	0.7
452.32562	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70400	2.4
55.05504	5.1
56.96578	3.0
57.03437	26.7
57.94418	2.2
59.05001	5.8
60.04522	3.0
60.08157	6.7
61.02916	3.2
67.05505	13.7
69.03432	84.1
69.07067	3.6
69.50851	16.7
71.04642	2.2
71.04990	14.2
71.07363	2.1
73.02923	4.9
79.05487	6.5
81.03423	7.8
81.07053	25.5
82.95544	2.3
83.04967	4.4
83.08634	3.9
85.02908	84.6
85.05540	2.3
86.09702	25.3
87.04470	56.7
91.03964	2.1
91.05486	6.2
92.79315	2.4
93.07038	10.3
95.04969	6.4
95.08628	7.3
97.02900	67.3
97.06534	4.8
98.20728	4.2
99.04465	3.2
99.08128	2.5
104.10747	53.1
105.07045	9.0
107.04928	2.6
107.08591	9.1
109.02882	7.2
109.06433	3.1
109.10171	4.4
111.08092	2.6
115.03934	97.1
119.08588	6.8
120.08936	2.3
121.10155	5.1
121.18748	2.2
123.11757	11.9
125.00005	13.0
127.03955	12.2
131.08521	5.6
133.04970	100.0
133.10161	4.2
135.08063	3.9
135.11703	5.3
137.06038	3.8
139.07489	2.8
140.03387	2.5
141.12845	3.0
145.04968	22.8
147.04459	3.4
147.11665	4.1
148.33553	2.6
150.07617	15.5
151.11176	3.2
159.11673	3.0
161.13284	2.9
163.06039	6.1
165.12764	4.6
169.12305	2.8
173.13275	3.0
184.07359	42.1
189.12704	2.5
206.16643	2.1
219.13693	2.6
229.13361	2.5
235.08781	2.1
248.25186	2.3
259.08099	4.0
271.25504	2.7
277.09256	3.9
288.05942	3.1
289.06143	2.8
290.06281	4.3
359.19495	2.2
406.31888	3.2
452.24249	10.7
452.32492	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	452.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02362	0.4
52.34889	0.4
53.03933	1.2
53.56630	0.4
66.97310	0.4
67.05522	0.7
69.07062	0.7
70.14202	1.1
70.14622	0.7
77.03960	0.8
79.05496	4.4
81.07059	0.9
83.38288	0.4
87.04469	1.4
89.06035	8.3
91.05497	2.3
93.07049	3.7
93.71478	0.4
95.04982	1.9
95.08617	1.1
98.39915	0.4
103.05457	3.2
103.05997	0.3
105.07035	100.0
106.07368	1.3
107.08585	0.7
109.10150	1.1
117.07029	0.4
119.08608	1.8
121.05631	0.8
121.06505	12.6
121.10123	0.5
123.11696	0.5
129.07076	0.4
131.08545	0.7
133.08606	4.2
133.10144	1.1
139.07617	0.8
144.09065	0.4
145.10132	0.7
145.16771	0.4
147.08092	2.5
147.11723	0.6
149.09564	0.6
152.13075	0.4
157.10165	0.7
159.11696	0.8
165.09126	5.9
173.13385	0.4
184.68741	0.5
209.13194	2.2
223.11319	0.7
225.12846	0.7
227.12791	37.6
228.13214	0.5
251.14374	0.4
321.92764	0.4
331.19077	2.9
347.49503	0.4
407.33066	0.5
434.31204	0.5
452.32458	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.8
53.23775	0.6
55.01853	1.1
55.05506	5.1
56.96553	0.8
57.07048	1.4
65.03956	1.5
67.01854	1.2
67.05506	6.7
68.99813	1.0
69.03420	2.8
69.07064	4.2
70.06590	1.7
71.04985	1.4
71.61684	0.7
71.62109	1.0
73.02916	0.9
79.05499	7.1
81.03407	1.5
81.07058	10.1
82.06592	0.7
83.04981	4.0
83.08630	2.0
85.02902	3.0
85.06536	1.5
86.03234	0.8
86.09725	0.9
91.05484	8.2
93.07047	11.1
95.04960	2.6
95.08607	14.5
97.02886	1.8
97.06528	1.2
99.04465	1.3
103.05373	0.8
105.07029	12.3
107.04964	1.2
107.08601	13.5
109.02837	1.4
109.06509	2.2
109.10162	7.3
111.08103	1.5
117.07006	2.9
119.04945	1.6
119.08591	17.2
121.06477	1.2
121.10151	10.4
123.08058	1.7
123.11709	5.2
124.07569	0.7
124.11210	2.2
125.06020	0.9
125.09653	1.9
126.02693	0.9
127.03899	3.2
127.11247	0.8
128.06168	0.8
129.06976	1.4
131.04938	1.1
131.08574	8.6
133.02820	0.9
133.10129	12.5
135.04428	2.6
135.08017	0.9
135.11694	5.3
136.04796	1.1
136.07553	1.1
137.02318	0.8
137.05949	3.5
137.09644	1.9
137.13240	1.4
142.07791	0.9
143.08540	5.5
145.10121	12.7
147.04390	4.8
147.11705	6.2
149.09662	0.9
149.13252	3.0
151.11168	1.8
153.01828	7.4
154.02135	2.2
154.08658	3.5
155.02321	1.9
155.08922	2.5
156.09319	1.1
157.10104	5.4
158.10965	0.8
159.08130	0.9
159.11688	7.5
161.02269	0.7
161.08180	0.8
161.09523	1.2
161.13257	3.1
163.07523	0.8
163.11125	1.1
163.14824	2.7
166.63916	0.7
167.07024	2.2
169.10138	1.7
171.11649	4.0
172.12387	0.8
173.09779	0.7
173.13254	7.5
175.14812	7.0
176.72606	0.8
177.05386	0.8
177.09081	1.2
177.12749	1.0
177.16365	1.9
179.07042	1.1
181.04994	1.5
181.10136	0.9
183.11761	2.1
185.13278	3.2
187.14815	9.4
189.16376	3.5
191.14279	1.9
193.15894	1.4
195.06564	1.1
195.11700	1.0
197.13301	2.2
199.14835	6.8
201.16376	7.0
203.14250	1.7
203.17975	1.4
205.15923	4.4
209.13313	1.1
211.14880	1.4
213.16383	8.2
215.17914	3.2
217.15948	1.6
217.19505	1.0
219.17479	1.5
223.14809	1.2
225.16452	1.3
227.17978	1.0
229.19391	1.3
231.17432	1.4
237.16486	0.9
239.17981	1.5
241.19557	1.8
245.15312	1.3
253.19395	1.0
253.21719	1.7
254.51990	0.9
255.21036	1.2
259.16840	3.4
265.19559	1.3
267.21091	2.7
271.14438	1.6
271.22879	1.5
287.05508	47.7
288.05838	47.8
289.06061	100.0
290.06326	2.5
335.23846	0.9
387.30371	1.0
393.27695	0.8
405.31570	11.7
407.33102	1.5
421.31323	0.9
433.30991	3.1
451.11279	17.7
451.19489	7.6
451.32227	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	451.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.05507	20.7
56.96560	3.2
57.07078	3.3
59.05000	2.8
59.21414	2.8
65.03954	4.1
65.54004	2.4
67.05507	25.9
69.03423	7.5
69.07073	24.3
70.20481	11.5
71.04976	2.8
71.13438	2.6
73.24963	2.5
79.05502	30.5
81.03426	5.9
81.07068	59.7
83.04984	24.5
83.08611	7.7
85.02931	2.9
85.06535	4.0
91.04949	3.8
91.05487	41.0
93.07041	58.4
95.04974	11.8
95.08613	70.0
97.06530	8.0
97.10164	4.7
103.05484	4.2
105.07047	69.6
106.77943	2.5
107.04950	5.6
107.08602	78.5
109.06506	4.0
109.10161	42.3
111.04413	2.9
111.08080	9.8
117.07010	14.7
119.08584	100.0
121.06494	5.4
121.10148	56.5
122.06036	4.6
123.08044	8.7
123.11740	15.8
124.11191	3.4
125.05992	5.7
125.09658	6.1
128.06265	3.2
129.07027	10.6
131.08574	33.3
133.10127	54.6
135.04353	3.2
135.07994	5.6
135.11711	17.8
137.05994	17.2
137.09628	16.1
141.06998	4.1
142.07791	8.8
143.08551	22.8
144.09221	2.7
145.10127	69.0
147.08017	5.0
147.11691	43.3
149.05989	3.8
149.09598	7.4
149.13246	17.2
150.79573	3.1
151.07582	6.7
151.11180	7.0
153.01878	4.7
155.08565	9.3
156.09349	8.0
157.10138	27.0
158.10847	3.8
159.11716	41.0
161.09634	5.1
161.13254	21.7
163.07463	5.9
163.11208	4.1
163.14836	12.9
165.12772	3.9
167.07056	5.7
169.10121	17.0
171.11694	34.1
173.13283	29.4
175.11281	4.6
175.13412	5.2
175.14827	42.7
177.16376	8.5
179.07091	6.4
179.08514	3.3
181.04941	5.4
181.10280	3.4
183.11734	13.7
184.12483	4.8
185.13289	24.9
187.14828	37.2
189.12752	4.2
189.16348	18.4
191.14328	6.8
193.12256	3.1
195.06598	4.1
195.11717	5.8
197.13274	15.0
199.14795	31.6
201.16394	36.0
203.14314	7.4
203.17914	5.2
205.15956	9.4
208.12157	3.5
209.13258	6.6
211.14813	13.0
213.16414	23.1
215.14352	5.6
215.17943	9.0
217.12311	5.1
217.15831	10.2
219.17445	2.9
221.13284	6.0
221.15332	5.1
223.14786	5.8
225.07649	4.1
225.16383	6.1
227.18033	9.3
229.15816	5.2
229.19501	3.6
231.17476	8.1
237.16446	4.3
238.10805	4.5
239.11296	3.1
239.17944	9.3
241.16095	4.0
241.19504	35.0
243.17491	3.4
243.21147	5.8
245.15407	7.1
245.19159	3.6
249.90152	3.3
251.17728	4.1
253.19545	8.0
255.17668	3.8
255.20982	5.6
259.17075	3.3
259.20776	3.5
267.21158	9.7
269.19177	3.0
273.18668	4.3
279.21170	3.4
281.22607	3.5
285.12234	10.1
286.12692	17.1
287.05548	13.2
287.20499	3.5
288.05801	13.1
289.06122	28.2
297.12302	9.3
298.12546	13.6
299.20377	4.0
327.98718	2.8
335.23776	5.4
385.95926	2.9
387.30469	7.8
405.31570	73.7
407.33151	14.1
423.20950	3.2
433.31198	18.1
451.20712	17.9
451.32275	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03922	2.2
55.05514	17.3
57.07060	3.0
67.05499	19.6
69.07059	18.1
69.72121	10.9
77.03885	2.1
79.05491	20.1
81.03446	2.0
81.07056	41.8
83.04538	3.1
83.04983	41.1
83.08627	11.6
84.21661	1.7
85.06532	2.9
91.05476	25.5
93.07043	42.3
95.04966	10.9
95.08611	61.7
95.09219	3.5
97.06519	5.2
97.10161	3.7
98.21552	2.7
101.94621	1.9
105.07032	63.4
107.08598	60.6
109.06525	8.1
109.10157	34.3
111.08068	7.9
115.05457	2.8
117.07023	12.4
119.08578	100.0
121.06501	2.4
121.10140	38.7
121.11011	2.1
123.08065	6.9
123.11666	5.3
128.06276	3.0
129.06990	9.5
131.08566	37.0
133.10126	47.7
135.08052	4.7
135.11713	16.5
137.06013	4.6
137.09615	2.8
141.07001	2.8
142.07726	7.8
143.08575	24.6
144.09305	4.8
145.10130	70.2
146.10886	2.0
147.08061	3.5
147.11694	40.9
149.13249	11.5
153.09140	2.9
155.08543	7.7
156.09340	8.5
157.10146	35.4
158.10927	4.8
159.11691	43.9
161.09621	6.5
161.13258	19.8
163.07472	3.5
163.11172	2.6
163.14816	14.4
165.09029	2.3
169.10107	14.5
170.10931	5.8
171.11694	26.1
172.12434	2.4
172.73277	1.7
173.09746	1.7
173.13278	29.7
174.13741	2.5
175.11197	7.1
175.14828	47.7
177.09151	3.9
177.12782	2.1
177.16367	17.3
179.06903	2.1
181.10144	4.8
182.10902	2.6
183.11662	13.7
184.12506	4.3
185.13231	16.1
187.14825	64.6
189.12650	2.2
189.16400	38.4
191.14438	1.9
191.17938	2.9
193.15858	2.7
195.11673	6.2
196.12482	1.8
196.47710	1.9
197.13197	9.1
198.14046	2.4
199.14825	30.2
201.12669	2.3
201.16406	39.8
203.14270	10.7
203.17969	18.3
205.15930	7.5
205.19560	2.4
207.11818	2.2
208.12540	2.4
209.13310	4.8
211.14833	12.5
213.12903	2.7
213.16403	14.6
215.14247	8.0
215.18030	6.0
217.15887	20.2
221.13338	2.7
221.15381	4.5
223.14821	6.5
225.16409	6.9
227.17986	7.1
229.15834	12.3
231.17352	11.3
233.15446	2.4
235.14868	2.2
235.16893	4.2
237.16345	2.7
239.17986	8.1
241.19534	4.7
243.17548	2.1
245.15462	2.6
247.16977	4.9
251.17934	3.0
253.19553	6.2
263.17923	2.3
265.19516	3.2
267.21170	4.6
279.20981	2.3
281.22559	2.8
283.20645	2.6
283.55917	2.0
285.18655	2.6
287.05502	4.6
288.05869	2.7
289.06027	9.4
291.21027	2.9
295.24115	2.4
309.22089	7.0
317.22849	2.9
319.24350	1.9
321.25809	2.4
333.25467	2.1
367.26334	4.3
387.30411	12.0
393.27914	3.7
405.31525	62.8
407.33203	2.9
408.83051	2.2
421.30899	4.1
423.32205	2.1
433.31137	18.6
451.32114	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05507	5.6
57.07072	1.0
58.11999	0.9
59.33794	0.8
59.53213	0.8
65.03937	0.8
67.05502	9.7
67.56760	0.8
69.07068	7.5
70.75627	2.4
71.04993	4.5
76.40357	0.9
77.37794	0.7
79.05498	8.1
81.07057	23.7
83.08619	3.6
85.06528	1.3
89.06005	1.2
91.05489	9.5
93.07045	15.0
95.04984	1.1
95.08607	27.1
97.06535	2.1
97.10170	2.2
105.07034	26.9
107.08595	18.4
109.10173	9.4
117.07035	5.4
119.08588	30.6
121.06521	0.8
121.10152	12.6
123.08107	1.2
123.11711	2.5
128.06233	1.2
129.07004	6.7
131.08565	16.6
133.10130	15.7
135.11696	7.0
137.09633	0.9
137.13254	1.7
141.06995	2.1
142.07779	2.4
143.08554	12.2
145.10129	19.0
147.11694	9.1
149.13287	7.1
155.08537	6.3
156.09351	2.0
157.10132	12.4
159.11726	10.6
160.12425	1.1
161.09613	1.0
161.13231	10.2
163.07504	1.4
163.14842	7.4
167.08626	2.3
169.10153	9.9
170.10912	1.6
171.08122	0.9
171.11705	10.1
173.13271	11.2
175.14825	30.9
177.09123	1.4
177.16385	7.5
179.08533	1.3
179.14333	1.2
181.10173	3.7
182.10919	2.0
183.11681	7.2
185.13304	4.6
187.14822	9.6
189.16339	4.7
191.14352	2.4
193.10103	1.9
193.15907	2.6
195.11708	6.0
196.12485	0.9
197.13257	7.5
199.14809	11.2
201.16339	8.0
203.17917	1.1
205.10054	0.9
207.11662	3.0
208.12419	1.0
209.13248	6.4
211.14836	8.8
213.16391	15.6
215.17955	3.1
217.15916	1.8
219.11760	1.1
221.13235	2.7
223.14815	4.5
225.16377	6.2
227.18030	4.8
229.15846	2.9
231.17470	4.0
233.15494	0.9
235.14871	3.5
237.16385	3.5
239.17929	4.5
241.15991	0.8
241.19382	1.3
243.17497	1.5
245.15416	1.8
247.14760	1.1
247.17072	2.2
249.16261	1.0
250.17043	0.8
251.18097	3.0
253.19601	2.3
261.16190	1.6
263.18030	3.3
265.19482	3.0
269.19202	1.0
273.18735	1.1
277.19522	1.9
279.21021	3.9
283.20575	1.7
285.18518	1.6
291.21149	5.7
293.22708	6.8
305.22772	1.1
309.22177	2.8
311.23495	0.8
317.22543	3.5
319.24164	1.4
331.24277	2.3
333.25888	0.9
335.23746	1.3
339.23145	16.4
345.26038	1.4
351.22961	1.8
363.23227	2.0
365.24619	1.2
377.24503	1.0
381.27716	1.5
387.30426	21.1
389.31989	2.8
405.31555	26.7
407.33270	2.8
433.24988	1.3
433.31064	46.5
451.32083	100.0
452.32556	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
51.35640	2.0
53.03947	3.6
55.05516	13.9
56.05399	2.1
57.07060	4.5
65.03938	3.6
67.05509	25.3
69.03410	2.4
69.07068	25.4
70.85878	4.3
79.05497	25.8
81.07058	52.5
81.07513	4.5
83.04984	40.2
83.08640	10.6
91.05483	28.6
93.07051	57.9
95.04959	7.8
95.08610	54.9
97.06516	4.6
97.10180	3.0
103.05428	3.4
105.07033	69.2
107.08598	88.2
109.06515	12.7
109.10164	36.4
111.08057	9.4
111.11743	2.6
117.07030	13.5
119.08582	100.0
121.06509	3.2
121.10149	53.2
123.08048	7.8
123.11715	21.1
125.09624	5.9
128.06299	2.7
129.07025	8.9
131.08571	34.8
133.10135	45.7
135.11710	20.8
137.09589	11.8
137.13277	5.8
141.06978	2.5
142.07774	3.8
143.08562	26.9
144.09332	3.2
145.10124	67.1
147.07986	2.8
147.10608	3.3
147.11691	35.1
149.09639	4.0
149.13260	22.1
151.11185	6.3
155.08539	10.6
155.63754	2.0
156.09354	4.6
157.10133	27.1
158.10840	3.0
159.11699	38.8
161.09587	3.9
161.13297	19.9
163.14807	26.8
165.12775	13.2
167.08609	3.3
169.10120	16.4
170.10887	2.6
171.11697	26.0
173.13264	34.8
173.14668	3.1
175.11330	3.2
175.14832	52.0
175.16252	3.9
177.09166	3.1
177.12886	2.4
177.16350	13.4
181.10092	2.3
182.11028	2.9
183.11749	10.6
185.13283	13.5
187.14816	50.9
189.16409	27.5
191.14313	4.2
193.15887	3.6
195.11737	5.1
197.13298	12.8
199.14812	35.0
201.16376	42.1
203.14383	2.7
203.17943	11.1
205.15886	7.2
206.95102	2.0
207.11719	3.3
209.13388	5.5
211.14725	11.6
213.16391	35.0
215.14340	2.6
215.17923	11.9
217.12273	2.1
217.15909	13.0
219.13797	2.5
219.17561	3.6
221.13269	3.0
223.14877	6.1
225.16370	9.6
227.17947	11.9
229.15883	8.2
229.19556	4.2
231.17473	8.4
233.22653	2.2
237.16408	6.6
239.17976	14.9
239.53894	2.3
241.19507	52.4
243.17563	3.1
243.21046	11.0
245.15508	5.0
245.18954	4.2
247.17015	4.7
251.17906	4.5
253.19545	10.3
255.21054	7.6
257.18991	2.4
259.17038	6.6
259.20569	5.2
265.19470	4.7
267.21024	12.7
269.19269	2.1
269.22757	4.3
277.19559	2.3
279.21173	4.8
281.22693	4.8
285.18430	6.5
287.20026	3.7
289.06079	3.7
291.21188	2.3
293.22534	3.4
299.20135	4.4
305.22729	2.7
309.22009	4.1
313.21780	2.2
317.22650	3.6
319.24472	2.8
321.25671	2.8
323.23898	2.8
331.24121	3.2
341.24738	3.1
349.25400	3.8
387.30664	10.9
391.30667	2.2
393.27875	5.4
405.31549	93.0
406.31915	3.5
407.28467	2.4
407.33240	24.7
421.30823	4.5
433.31140	16.5
451.32141	75.3
452.32498	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	4.1
55.05510	15.9
57.07076	3.5
65.03940	2.9
67.05511	23.6
69.03431	4.5
69.07070	19.9
71.10703	5.9
71.11042	2.7
73.93722	2.4
79.05491	16.4
81.07059	50.4
83.04993	18.0
83.08619	10.9
85.02914	4.0
91.05476	33.7
93.07040	51.9
95.04984	7.5
95.08028	4.9
95.08609	59.8
97.06538	3.3
97.10194	3.1
103.94810	2.1
105.07036	71.8
107.08601	74.2
109.06527	9.8
109.10155	36.6
111.08092	7.2
117.07024	12.7
119.08586	100.0
120.08960	2.7
120.57000	2.2
121.06532	2.7
121.10145	40.5
123.08067	5.4
123.11708	15.8
124.11240	2.6
125.09618	8.5
127.03917	7.1
129.07037	8.2
131.08566	49.8
133.10143	55.5
135.11688	15.5
137.05997	5.0
137.09628	6.7
137.13261	4.4
141.06975	3.2
142.07738	3.6
143.08572	25.3
143.52618	2.5
144.09381	4.6
145.10126	76.9
146.10744	2.3
147.04407	3.7
147.08060	4.0
147.11705	30.2
148.97307	2.4
149.13258	15.0
151.11176	4.2
153.09074	2.6
154.02240	3.3
154.08687	4.2
155.08611	6.5
156.09380	6.8
157.10132	26.1
158.10950	5.0
159.11694	47.0
161.09563	2.5
161.13272	28.8
161.83115	2.2
163.07587	4.2
163.11214	3.3
163.13696	2.2
163.14841	15.3
169.10178	9.2
170.10934	4.4
170.73953	2.3
171.11696	26.1
172.12543	3.2
173.13280	38.8
175.11215	4.3
175.14825	40.0
177.12782	3.4
177.16362	11.7
181.10283	2.7
182.10942	3.0
183.11736	11.3
184.12465	2.9
185.13272	22.8
186.13892	2.6
187.14828	77.7
187.16414	4.9
189.16396	26.8
191.14340	9.1
193.15872	3.2
195.11768	5.9
196.12523	3.1
197.13300	10.8
199.14807	38.2
201.16385	64.8
203.14372	8.5
203.17897	12.7
205.15897	22.1
207.11778	3.9
209.13284	4.0
211.14894	10.7
213.16376	29.8
215.14557	3.4
215.17960	16.0
217.15897	13.5
217.19409	2.7
219.13887	2.7
219.17418	5.6
221.13312	3.4
225.16327	5.6
227.18015	9.4
229.15880	3.5
229.19604	4.1
231.17484	8.7
237.16335	4.2
239.18022	11.2
241.19579	10.0
243.17564	3.4
245.15456	5.3
247.17001	5.5
251.18166	2.8
253.19626	6.2
255.21257	4.2
257.19052	5.6
259.16980	3.9
265.19537	3.0
267.21085	4.5
268.15442	3.0
281.22836	4.6
287.05536	20.6
287.19980	2.7
288.05841	18.5
289.06036	38.6
289.16162	3.1
293.22601	3.7
299.20096	3.4
311.19943	2.7
345.25742	3.1
387.30725	9.7
405.31546	58.9
407.33136	12.0
421.31143	4.9
423.32819	5.0
433.31052	18.0
451.11011	4.5
451.19696	4.1
451.32156	94.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03941	4.0
55.05514	14.3
55.74831	2.1
57.07071	3.2
65.03925	3.3
67.05505	24.4
69.03417	3.0
69.07066	25.6
69.18515	1.9
69.47908	7.1
69.48331	10.1
70.11455	2.0
71.37099	1.7
79.05502	22.7
80.09425	1.8
81.07059	55.0
81.17222	2.0
83.04981	28.9
83.08622	10.0
91.05482	35.2
93.07051	55.8
95.04971	7.6
95.08608	61.5
97.06529	3.9
97.10167	3.0
103.05470	3.5
105.06370	4.0
105.07038	63.3
106.22209	2.3
107.08598	85.2
109.06518	11.8
109.10153	34.0
111.08080	6.8
111.11764	2.1
112.17949	1.9
115.05486	2.5
117.07021	9.3
119.08585	100.0
121.10144	53.4
123.08052	8.7
123.11736	16.0
125.09625	4.7
128.06192	4.8
129.07010	11.0
131.08569	33.1
133.10132	52.0
135.08084	3.3
135.11694	18.8
137.09610	11.7
137.13280	3.6
139.52907	2.0
141.07025	2.2
142.07767	5.5
143.08554	23.3
144.09354	3.2
145.10120	66.3
147.11687	42.4
149.13243	20.4
151.11215	5.7
153.09203	2.5
155.08557	8.9
156.09335	6.7
157.10123	30.5
158.10916	3.3
159.11694	29.9
161.09674	3.3
161.13255	15.2
163.07539	2.5
163.14824	24.2
165.12759	15.1
168.09364	2.3
169.10162	15.5
170.10852	3.7
171.11697	32.2
173.13268	36.3
175.11249	3.8
175.14818	53.5
177.16364	15.4
181.10150	4.7
183.11694	11.0
184.12491	3.6
185.13263	14.5
187.14842	55.4
187.16429	4.3
189.16382	31.4
191.14287	4.2
191.18001	2.7
193.15837	3.0
195.11751	4.8
197.13249	13.0
199.14803	29.1
201.16394	38.3
203.14331	4.9
203.17958	10.5
205.15868	6.7
207.11755	2.4
209.13272	4.9
211.14772	12.0
213.16396	34.8
215.14345	6.2
215.17900	13.5
217.12392	2.7
217.15936	12.8
221.15372	2.7
223.14886	6.6
225.16318	9.9
227.17963	13.1
229.15866	6.9
229.19476	5.3
231.17453	9.1
235.14825	3.4
237.16396	4.7
239.17950	12.5
241.19502	46.6
243.17378	3.5
243.21136	9.3
245.15369	4.9
247.16899	5.1
251.17970	3.9
253.19574	13.8
255.21095	9.1
259.16949	4.0
259.20636	4.4
263.17969	2.9
265.19601	3.3
267.20987	11.6
269.22556	3.3
273.18649	3.7
279.21124	3.5
281.19156	3.0
281.22659	2.6
283.20566	2.4
285.18430	3.8
287.05466	4.0
287.20016	4.9
288.05832	4.2
289.06000	5.0
291.21313	3.4
299.20114	4.3
307.24182	3.7
309.22382	3.0
317.22549	3.7
321.25687	2.9
331.24219	4.8
341.24747	2.7
347.27155	2.4
349.25272	6.2
377.32318	2.8
387.30579	11.0
389.32193	4.4
393.27557	2.3
405.31537	84.3
406.31937	2.3
407.33200	22.9
423.32861	2.3
433.31058	17.3
451.32108	71.7
452.32428	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	451.3207
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05517	15.6
57.07063	7.1
65.03951	3.7
67.05501	24.0
69.07077	16.2
71.34901	5.4
79.05477	20.8
79.34380	2.9
81.07054	48.0
83.04986	19.8
83.08595	11.7
85.02901	3.3
85.06533	4.5
91.05466	41.6
93.07040	52.7
95.04958	4.4
95.08602	61.8
97.06526	5.0
99.08083	5.8
101.73376	2.8
103.05434	2.8
105.07026	72.9
107.08586	77.6
109.06476	8.6
109.10146	41.4
111.08063	8.2
117.07016	11.9
119.04930	6.5
119.08575	100.0
121.10138	64.7
123.08031	3.8
123.11697	28.3
125.09591	11.3
128.06229	4.5
129.06975	9.7
131.08554	43.1
133.10133	62.3
135.08104	3.6
135.11684	23.4
137.05989	5.2
137.09627	9.2
137.13258	3.8
142.07764	4.2
143.08559	22.2
144.02103	4.9
145.10117	78.8
147.04411	28.3
147.11682	31.4
149.13228	8.9
151.11192	7.5
153.09088	3.0
155.08521	5.3
156.09349	7.1
157.10104	31.8
158.10864	5.9
159.11678	58.9
161.09554	7.1
161.13242	23.6
163.07506	4.9
163.14810	11.3
169.10078	14.2
170.10869	4.9
171.11671	35.2
172.12471	3.4
173.13246	40.5
175.14804	33.9
177.12772	4.0
177.16360	12.1
182.10922	3.0
183.11656	16.8
184.12402	6.1
185.13266	23.3
187.14810	57.9
189.16382	24.1
191.14218	4.0
191.17967	5.2
197.13255	16.3
198.14091	3.2
199.14801	52.1
201.12688	3.3
201.16367	60.1
203.18022	6.6
205.15880	29.4
211.14789	14.7
213.16353	47.6
215.14438	3.2
215.18004	9.5
217.15863	7.1
219.13783	4.5
219.17390	5.3
223.14853	3.0
225.16458	6.4
227.17923	7.1
229.15868	6.7
231.17406	7.8
233.15279	5.1
237.16464	3.4
239.18066	7.7
241.19499	10.2
245.15370	12.7
245.76038	2.9
247.17068	3.8
253.19482	9.4
255.21039	8.3
259.16928	6.5
265.19598	4.8
267.21051	8.6
269.22678	3.2
273.18671	3.1
281.22678	5.0
283.20657	5.3
287.05411	11.8
288.05817	12.9
289.06073	34.1
387.30402	7.4
405.31537	78.0
407.32916	11.7
415.30243	3.4
421.31052	5.3
423.32538	4.6
433.30896	27.0
451.11868	4.4
451.19238	11.8
451.26236	4.9
451.32114	75.6
452.32544	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	451.3207
Annotation	Puliscabrin
Peak:m/z	Relative Intensity
52.65113	1.6
52.71381	1.9
53.03949	2.4
53.62444	1.7
55.05499	6.2
60.56400	2.1
61.98964	1.7
67.05485	6.2
69.07060	7.9
69.55737	8.0
69.56158	6.2
76.22676	2.1
79.05514	4.0
81.07050	16.2
83.08591	3.7
91.05479	9.1
93.07047	15.9
95.08607	18.8
105.07025	29.8
107.08596	26.0
109.10157	8.7
117.06990	3.4
119.08581	31.2
121.10146	15.4
123.11733	3.0
129.07016	4.7
131.08582	11.5
133.10144	15.7
135.11711	3.7
141.07037	2.0
142.07751	5.5
143.08566	13.5
144.09373	2.6
145.10126	24.9
147.11679	10.6
149.09671	2.5
149.13239	4.5
155.08527	10.7
156.09261	3.4
157.10117	21.7
159.11696	23.3
161.13292	10.9
163.14822	8.7
167.08511	2.5
168.09261	2.2
169.10097	21.9
171.11681	15.2
173.13228	13.2
175.14809	36.7
176.26888	2.0
177.16370	12.4
181.10121	3.5
182.10892	5.2
183.11720	13.3
185.13301	9.3
187.14838	12.8
189.16443	7.5
193.10150	3.1
193.15839	2.6
195.11758	7.2
196.12511	7.0
197.13220	11.9
198.14043	2.3
199.14836	24.9
201.16394	8.2
203.17865	4.8
207.11786	2.5
209.13303	6.7
211.14844	26.8
212.15254	2.8
213.16399	15.1
215.14287	3.4
215.17990	3.0
217.15923	6.4
221.13347	3.3
223.14857	5.4
225.16420	5.5
227.18063	3.2
229.15889	10.6
231.17477	5.3
234.23480	2.0
237.16435	3.5
239.17961	3.7
241.19487	3.1
249.16321	3.6
251.18062	3.1
255.21016	2.7
257.19159	2.4
261.16507	2.1
263.18079	2.4
275.17957	2.0
277.19458	3.4
289.19360	2.3
291.20831	2.8
305.22589	2.2
317.22699	2.8
319.24188	5.5
321.25735	3.7
331.24091	6.1
336.37878	2.2
345.25723	2.9
347.27097	3.3
365.24872	4.1
366.25421	2.7
367.26575	2.7
377.24722	6.3
387.30579	11.7
405.31543	19.2
421.31033	5.5
423.32681	2.5
433.31024	52.4
451.32089	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03941	2.5
55.05519	15.2
56.68177	2.2
57.07075	3.2
58.07661	1.9
67.05511	21.3
69.07064	13.2
69.94590	6.8
69.95004	3.6
71.05005	2.2
79.05504	19.9
81.07057	50.4
83.04985	19.9
83.08627	7.9
86.64140	1.7
91.05476	33.6
93.07050	54.7
95.04979	7.0
95.08603	62.7
97.06537	5.6
97.10170	3.5
98.21341	2.4
105.07029	69.2
107.08595	77.0
109.06533	7.5
109.10162	30.7
111.08102	9.3
113.44990	2.0
115.05452	3.3
117.07054	11.0
119.08581	100.0
121.10144	49.2
123.08097	6.4
123.11730	13.0
125.09624	6.2
128.06229	3.7
129.06982	10.6
130.07823	2.4
131.08559	29.2
133.10133	45.6
135.08104	3.6
135.11667	18.2
137.06163	1.8
137.09624	10.2
137.13260	6.0
141.06973	4.6
142.07785	5.8
143.08557	23.3
145.10121	74.9
147.11681	29.9
149.09654	2.2
149.13269	19.2
153.09102	3.1
155.08586	7.4
156.09346	5.0
157.10112	35.7
158.10851	3.4
159.11699	32.9
161.09660	6.0
161.13258	17.6
163.07558	4.5
163.14847	16.0
165.12759	5.0
169.10123	11.7
170.10855	3.1
171.11702	37.2
173.13278	30.9
175.14822	44.9
175.16226	2.8
177.16388	10.5
177.94110	2.0
182.10999	2.1
183.11708	11.0
185.13246	17.9
187.14816	29.8
187.16402	2.8
189.16412	14.7
191.14412	5.4
191.18054	2.6
193.15887	4.1
194.10950	1.9
195.11760	5.4
197.13243	14.5
198.14059	2.4
199.14847	23.8
201.16408	21.8
203.14388	3.5
203.18027	9.2
205.15855	4.6
207.11716	2.9
209.13255	6.1
211.14772	10.7
213.16379	28.0
215.14232	3.1
215.17944	10.3
217.12407	3.2
217.15808	9.7
219.13820	2.4
221.13257	2.3
223.14789	5.2
225.16296	9.7
227.17975	8.5
229.15938	5.4
229.19504	2.5
231.17522	7.5
233.15334	2.9
237.16290	4.1
239.17975	8.4
241.15747	2.5
241.19487	31.8
243.21149	7.6
244.58417	2.0
247.16898	3.9
249.16315	2.9
251.18024	3.1
253.15749	2.1
253.19547	10.0
255.21095	5.7
259.17026	7.1
259.20605	5.7
265.19543	4.0
267.21091	14.5
273.18585	2.9
279.21014	3.1
281.22711	4.3
283.20676	3.6
285.18463	2.7
289.06192	3.6
291.21255	2.5
299.20157	4.1
309.22211	9.9
313.21616	3.2
321.25940	2.8
323.24026	2.1
335.23703	2.9
377.32358	2.7
387.30405	6.7
405.31546	89.3
407.33200	13.4
433.31171	12.2
451.32129	82.7
452.32867	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
55.05505	12.7
67.05507	21.4
69.07063	15.8
69.80042	13.8
69.80453	6.7
79.05500	22.7
81.07065	48.9
83.04984	30.9
83.08626	9.0
91.05485	36.6
93.07052	52.5
95.04989	7.2
95.08624	65.7
97.10206	6.4
98.21464	7.2
105.07035	71.5
106.27364	4.7
107.08594	79.1
109.06521	9.0
109.10158	31.6
111.08076	8.4
111.19422	3.4
117.07030	11.8
119.08586	89.7
121.10149	45.3
123.08080	10.5
123.11722	14.9
125.09669	5.5
128.06238	5.5
129.07019	10.4
130.07878	3.9
131.08551	28.3
133.10146	55.3
135.11716	15.0
137.09630	11.7
142.07776	7.2
143.08551	25.3
145.10130	78.8
147.11707	35.0
149.13252	22.2
151.11162	3.9
155.08595	7.5
156.09372	6.7
157.10152	36.5
159.11726	31.9
161.09544	5.8
161.13287	16.7
163.07622	4.6
163.11186	6.1
163.14793	19.7
165.12790	9.9
169.10176	15.6
170.10921	6.1
171.08086	4.3
171.11740	34.1
173.13252	41.1
175.14830	51.1
177.16347	11.1
181.10107	5.1
183.11763	15.4
185.13272	16.0
187.14830	52.9
189.16359	22.8
193.15973	5.1
197.13231	8.7
199.14851	27.1
201.16380	32.5
203.14363	5.1
203.18033	8.1
205.15819	6.8
207.11670	4.8
209.13292	6.1
211.14828	13.0
213.16382	23.1
215.17957	11.1
217.15952	11.8
221.13295	5.2
221.15460	4.4
223.14882	9.7
225.16451	8.6
225.72124	3.7
227.17926	10.2
229.16171	3.8
229.19260	4.4
231.17459	14.0
239.17957	17.6
241.19531	42.3
243.21129	9.6
245.15424	5.4
247.16956	5.5
251.17958	4.8
253.19583	10.2
255.21094	4.9
259.16962	5.5
267.21198	8.6
279.21103	4.0
293.22531	5.0
309.22131	7.1
331.24493	4.7
331.53601	3.8
387.30490	11.1
393.27795	5.2
405.26553	6.3
405.31558	100.0
407.33176	20.6
433.30826	14.6
451.26385	4.1
451.32184	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.0
55.01894	2.8
55.05510	20.7
56.88862	1.8
57.07081	4.2
61.63192	1.6
65.03915	2.7
67.05508	27.6
69.03426	3.4
69.07071	17.0
69.41105	9.9
69.41534	5.6
79.05486	23.3
81.07059	71.2
83.04979	18.1
83.08627	11.9
83.34111	2.0
91.05483	39.1
93.07045	54.7
95.04990	13.5
95.08607	68.2
97.06528	4.0
97.10194	3.1
98.21510	3.2
101.16845	2.2
103.05495	2.5
105.06483	1.3
105.07030	73.7
107.08595	73.9
107.53272	1.8
108.08920	2.2
109.06526	16.3
109.10152	37.6
111.08084	6.7
115.05462	2.9
117.07024	12.7
119.08579	100.0
121.06570	2.3
121.10143	52.7
121.11018	2.9
123.08078	7.9
123.11699	22.6
125.09629	11.1
127.07572	7.3
128.06238	5.5
129.07005	9.3
130.07762	2.3
131.08569	48.5
133.10127	58.1
135.08089	2.8
135.11690	23.5
137.09641	7.8
137.13297	2.8
141.07050	3.7
142.07806	6.4
143.08551	32.1
144.09372	4.6
145.10124	67.3
147.10620	2.6
147.11702	30.9
149.09608	4.6
149.13284	12.3
151.07516	2.3
151.11113	10.3
153.09268	1.9
155.08556	8.4
156.09332	6.1
157.10127	32.0
158.10898	5.4
159.11699	61.2
161.09689	2.5
161.13271	26.9
163.07564	2.7
163.11192	6.1
163.14841	12.0
165.07162	2.4
165.12770	4.2
167.08551	3.3
168.09364	2.5
169.10156	15.5
170.10915	5.0
171.11690	31.7
172.12367	2.6
173.09587	2.7
173.13258	39.5
175.14833	30.2
177.09157	3.2
177.16362	8.9
179.14342	2.5
181.10214	4.8
182.10904	2.1
183.11665	11.1
183.42203	1.8
184.12439	3.2
185.13263	36.1
185.14828	3.1
186.13966	2.1
187.11365	2.1
187.13136	3.4
187.14822	63.2
189.12743	2.7
189.16373	19.6
191.10696	3.0
191.14281	11.2
191.17969	4.3
193.15918	4.4
195.11739	7.4
197.13287	18.6
198.14107	1.8
199.14824	44.8
201.12720	2.9
201.16380	53.6
203.14392	5.1
203.17987	5.3
205.15913	17.0
207.17477	2.6
209.13258	9.9
211.14838	17.5
213.16391	52.7
215.14331	10.2
215.17975	15.6
217.15910	12.4
219.17456	23.9
221.13303	2.8
223.14850	3.9
225.16371	5.5
227.17897	10.8
229.15892	5.2
229.19528	2.8
231.13788	2.6
231.17511	7.6
233.15443	3.6
235.15024	2.9
237.16425	4.0
239.17899	9.3
241.19537	10.8
243.17577	2.4
243.21021	2.8
245.15460	5.6
247.16995	2.5
251.17923	3.2
253.19601	10.5
255.21111	3.6
259.16931	14.8
265.19522	4.5
267.17551	1.9
267.21017	12.2
269.22382	2.2
271.20718	2.1
277.19489	3.1
279.21078	5.1
281.22446	3.1
283.20474	2.7
285.18726	3.2
289.06003	2.5
299.20175	5.1
303.21466	2.1
311.19965	2.3
323.23904	2.1
338.58957	2.0
377.32431	2.5
387.30444	9.9
389.31686	2.5
397.77246	2.3
405.31506	83.1
406.31720	2.2
407.33017	4.4
415.30026	5.2
421.31094	7.4
423.32431	3.3
433.31061	29.3
450.93552	2.5
451.32138	69.3
452.32260	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	451.3209
Annotation	Versicolactone D
Peak:m/z	Relative Intensity
53.03938	3.1
55.05523	15.7
57.07061	4.1
59.10929	2.4
63.28467	2.7
67.05512	23.8
69.07076	13.9
70.13009	6.4
70.13373	5.2
79.05497	18.6
79.67663	2.7
81.07060	42.3
83.04982	21.2
83.08614	7.8
87.13118	2.8
91.05481	30.2
93.07043	41.9
95.04977	3.4
95.08039	4.3
95.08612	55.3
97.10154	3.3
99.87592	2.4
105.07033	72.4
107.08596	80.0
109.06528	8.4
109.10154	35.2
111.08080	7.7
115.05453	3.4
115.82995	2.5
117.06989	7.7
119.08581	100.0
120.08916	2.5
121.10149	50.6
123.08067	5.8
123.11677	14.0
125.09621	6.9
125.51267	2.3
128.06213	3.8
129.06995	8.0
131.08578	33.3
133.09225	4.3
133.10135	50.0
135.11696	16.3
137.09634	9.7
137.13225	3.5
141.06998	2.5
142.07755	4.8
143.08549	28.3
145.10123	71.9
147.08049	3.8
147.11671	31.6
149.13266	13.8
151.11177	3.3
155.08582	7.9
156.09367	6.3
157.10149	33.6
158.10921	3.6
159.11702	27.1
161.09608	7.1
161.13229	15.7
163.07597	5.7
163.14824	17.2
165.12735	8.3
169.10112	14.4
170.10905	3.9
171.11688	31.7
172.12570	2.7
173.09616	3.0
173.13287	31.4
175.14819	43.6
177.16412	13.4
183.11716	9.7
184.12462	6.3
185.13295	17.9
187.14830	48.9
189.16382	17.5
191.14252	6.6
191.17938	6.1
195.11656	4.9
197.13232	13.0
199.14813	29.4
201.16403	26.4
203.14429	4.2
203.17966	16.3
205.15910	7.0
209.13268	5.4
211.14833	7.4
213.16365	22.7
215.17973	9.2
217.12187	2.8
217.15875	14.6
223.14786	3.4
225.16399	6.2
227.17923	10.8
229.15851	6.3
231.17384	6.0
235.16898	3.3
239.17986	11.8
241.19525	37.6
243.17236	3.3
243.21150	8.8
245.15390	4.5
245.18851	2.9
247.16946	7.0
251.17969	3.7
253.19594	10.5
255.21045	5.9
257.18805	3.2
259.17023	4.4
265.19687	4.4
267.21173	11.4
269.22647	3.7
279.21002	2.5
281.22931	3.1
285.18414	4.6
291.20898	3.4
293.22702	5.3
295.20901	3.1
299.20123	6.0
309.22137	7.3
324.13229	2.9
331.24200	3.2
349.25256	3.1
387.30508	8.7
405.31564	91.7
406.31924	5.0
407.33081	20.0
421.30988	3.7
433.31271	16.3
451.26279	4.8
451.32147	64.4
452.32535	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	451.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41385	3.8
55.05504	15.8
57.07072	5.0
67.05511	23.3
69.07063	14.3
70.22594	14.1
79.05492	17.8
81.07071	42.7
83.04979	32.1
83.08630	10.2
83.96999	3.4
91.05495	33.0
93.07053	45.4
95.04952	5.9
95.08614	46.8
97.06591	3.8
105.07040	59.5
107.08604	78.3
109.06525	8.9
109.10175	28.3
111.08073	8.0
117.07030	12.9
119.08581	100.0
121.06527	4.4
121.10155	49.0
123.08082	4.3
123.11709	11.3
125.09651	5.3
128.06163	4.6
129.06998	5.8
131.08578	29.6
133.10152	47.1
135.11739	22.2
137.09605	14.4
137.13194	4.6
140.20930	4.9
142.07776	5.9
143.08597	21.7
145.10133	76.3
147.11681	27.5
149.13258	20.8
155.08580	6.3
156.09421	4.6
157.10129	23.2
158.10986	4.3
159.11708	35.5
161.13266	18.3
163.14819	23.1
165.12779	14.6
169.10135	20.3
170.10934	5.7
171.11710	38.9
173.13295	33.1
175.14853	60.6
177.16434	13.1
183.11713	16.6
185.13277	11.1
187.14867	40.1
189.16397	21.1
195.11700	8.9
197.13292	11.7
199.14821	28.7
200.06528	4.5
201.16409	28.0
203.17938	12.1
205.15924	7.3
209.13312	4.4
211.14905	12.6
213.16400	26.6
215.17920	10.6
217.15909	10.0
225.16397	8.3
227.17943	7.8
229.15977	8.0
229.19518	6.2
231.75708	4.0
239.18013	15.3
241.19569	43.0
243.21179	8.7
247.16891	4.4
253.19563	9.4
255.21130	5.8
259.16995	7.0
265.19577	5.6
267.21121	13.7
273.18668	4.1
283.20444	5.5
285.18484	7.2
287.19949	8.8
299.19858	7.4
309.22217	6.8
380.46979	4.5
387.30344	12.1
402.47717	4.5
405.31583	97.7
406.31766	5.2
407.33026	17.8
433.30887	13.8
451.32123	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	451.124
Annotation	3,4,2',4',6'-Pentahydroxychalcone 4'-glucoside
Peak:m/z	Relative Intensity
53.03947	0.8
69.03436	3.4
69.80032	3.9
70.06586	4.1
79.05453	1.1
80.02728	0.7
81.03408	3.0
85.02903	2.0
86.09686	3.2
89.03908	4.7
91.05460	1.1
97.02872	1.0
98.21452	1.3
98.97559	0.7
107.04952	2.2
109.02861	2.0
112.07631	1.1
116.07010	0.6
116.98634	0.8
117.03387	9.1
124.11196	1.6
127.03917	52.2
131.08508	0.7
135.04417	17.2
137.05972	2.0
144.06580	0.7
145.02850	10.8
145.04826	0.7
147.04384	0.7
153.01816	1.6
154.04996	4.9
163.03909	100.0
167.07021	0.9
181.04973	2.6
193.81584	0.8
229.15482	1.2
287.05508	3.4
287.12448	1.1
288.05927	2.0
288.12827	1.4
289.06085	6.3
289.13278	2.2
307.08112	6.1
325.09149	2.1
414.21649	0.8
416.80191	0.8
451.18954	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	451.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.4
55.05506	19.9
57.07057	4.1
65.03928	4.8
65.18642	3.5
67.05500	30.3
69.03410	6.3
69.07057	25.3
79.05499	24.3
81.07053	65.3
83.04977	21.1
83.08614	7.6
85.06519	4.6
91.05473	39.6
93.07039	61.6
95.04950	10.8
95.08604	59.4
97.06531	5.6
98.21506	7.2
103.05466	3.2
105.07032	85.5
107.08595	80.9
109.06503	9.4
109.09532	4.2
109.10165	38.8
111.08062	7.1
114.46616	3.2
115.05495	3.2
117.07039	16.5
119.08582	100.0
121.06493	4.6
121.10136	57.6
123.08054	11.1
123.11720	14.8
125.06011	4.4
125.09673	5.9
128.06232	5.6
129.06998	16.3
130.07805	3.4
131.08559	57.3
133.10130	77.9
135.08101	7.4
135.11681	25.7
137.05954	5.0
137.09543	5.0
141.06975	6.4
142.07732	8.9
143.08560	38.5
144.09337	5.0
145.10126	83.4
147.08020	4.0
147.10593	5.6
147.11693	54.2
149.09621	16.7
149.13264	14.8
151.11111	6.3
155.08585	7.2
156.09338	7.5
157.10120	43.8
158.10869	6.3
159.11687	57.9
161.09581	7.1
161.13219	27.1
163.07553	4.4
163.11205	16.3
163.14841	15.2
165.09070	4.0
169.10130	13.6
170.10895	7.4
171.11679	40.1
173.13271	58.1
175.11151	4.0
175.14832	44.1
177.12646	4.9
177.16380	14.2
183.11668	13.5
184.12473	5.9
185.13249	32.4
187.13132	4.0
187.14822	60.7
189.12674	3.6
189.16360	22.0
191.14398	16.1
193.15794	4.4
195.11592	4.4
197.13266	14.2
199.14809	65.8
201.16408	32.4
203.14253	13.8
203.17984	9.5
205.15945	3.6
211.14804	12.7
213.16351	40.2
215.14323	4.9
215.17935	22.5
217.15875	16.6
221.15373	3.8
223.14832	9.0
225.16350	8.0
227.17917	8.7
229.15849	4.4
229.19556	4.4
231.17386	9.8
235.14832	3.8
237.16556	4.6
239.17931	8.4
241.19461	12.5
247.16808	3.9
251.17953	3.8
253.19519	8.9
255.21075	7.5
259.16962	15.2
265.19513	5.2
267.21069	12.7
287.05515	5.9
288.05872	6.2
289.06018	10.5
291.20993	3.5
313.21179	4.3
319.23880	3.2
327.23239	3.8
347.27045	6.0
377.32336	3.6
387.30334	9.4
393.27945	7.4
405.26587	5.1
405.31549	67.9
421.30923	6.3
423.32416	10.6
433.30978	27.1
451.32187	73.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2125
Annotation	Latisoline
Peak:m/z	Relative Intensity
51.40677	0.3
55.01872	0.4
55.05499	0.6
55.81599	0.3
56.05029	0.3
57.03419	0.9
58.11229	0.3
61.02918	0.6
69.03436	4.2
70.06584	0.4
70.75513	0.6
70.75858	0.3
71.04999	0.5
73.02932	0.4
74.78458	0.3
81.03420	1.3
81.07053	0.7
82.06576	3.3
84.08150	9.2
84.08665	0.5
85.02415	0.5
85.02911	8.3
86.03203	0.3
87.04470	0.8
91.21989	0.3
95.04908	0.4
97.02889	1.5
98.06060	1.4
99.04461	0.6
100.07610	0.4
101.02331	0.3
103.03905	0.4
108.04504	0.6
108.08141	0.3
109.02878	1.0
124.11247	1.4
126.09161	19.3
127.03940	1.8
136.07578	2.0
145.04932	0.6
148.11197	0.5
153.01787	0.3
154.08636	100.0
155.08989	1.3
175.57622	0.3
194.11768	0.6
270.14938	0.4
287.05450	2.6
288.05893	5.5
288.15958	53.1
289.16373	1.4
303.04840	0.3
304.05215	0.3
328.07190	0.3
330.16949	0.9
432.20184	0.4
435.28415	0.3
450.21252	12.2
451.21448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.399
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
53.03933	3.4
55.05511	24.9
57.07081	21.5
67.05499	18.9
69.06751	3.8
69.07071	34.7
71.08620	13.5
79.05492	8.6
81.07065	20.8
83.04948	2.9
83.08609	27.4
85.10184	4.3
91.05469	8.9
93.07039	11.6
94.22955	3.0
94.87665	2.9
95.04958	4.7
95.08616	26.6
97.06513	3.4
97.10178	29.5
102.52506	3.0
102.95643	3.1
105.07043	6.9
107.08596	8.0
109.06536	6.6
109.10142	20.3
111.04328	3.0
111.08077	13.2
111.11726	5.7
119.08612	18.1
121.06499	5.0
121.10151	11.2
123.04411	9.7
123.08065	9.3
123.11696	10.8
133.10130	8.7
135.11722	7.4
137.05983	3.1
137.09589	23.8
139.07552	36.8
147.11754	3.6
149.09613	3.6
149.13330	4.4
151.07556	3.3
151.11209	9.1
159.07950	3.2
165.09109	13.7
165.12807	8.4
167.10695	3.6
175.14999	3.5
179.14339	11.6
187.07581	10.2
193.15918	6.5
221.19127	3.9
225.09123	19.2
229.79453	3.6
287.05487	35.3
347.29468	10.2
362.19476	3.3
403.39325	35.1
431.38852	100.0
449.34247	9.1
449.39908	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.7
55.89471	0.2
57.00395	0.1
65.03939	0.2
67.05509	0.8
68.05027	0.3
70.26778	0.6
79.05510	0.2
81.05798	0.2
81.07059	0.2
82.06590	2.0
83.07339	0.2
87.69453	0.2
91.05482	0.3
94.06577	0.2
95.08587	0.3
96.08130	2.9
98.09711	0.5
107.04954	0.3
119.08539	0.2
124.11236	100.0
125.11589	1.0
145.06505	0.6
147.08073	2.0
173.06018	0.3
183.86748	0.2
191.07005	0.4
217.85236	0.2
245.23495	0.2
270.14917	0.7
288.15952	1.7
330.06610	0.2
355.00101	0.2
392.26166	0.2
411.19174	0.2
450.21246	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	449.3992
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.05512	21.3
55.33045	2.0
57.07078	18.1
61.71887	2.2
67.05526	10.6
69.07070	21.7
71.08639	15.1
79.05500	6.4
81.07057	12.7
83.01300	2.5
83.04990	4.1
83.08628	20.8
85.10192	6.2
91.05491	5.4
93.07056	7.7
95.04957	3.0
95.08616	15.8
97.10180	22.9
100.86174	2.3
105.07060	3.3
107.08625	7.7
109.06517	4.5
109.10175	11.3
111.08118	6.7
111.11757	5.4
119.08593	16.1
121.06522	4.0
121.10162	4.9
122.17679	2.3
123.04414	5.9
123.08108	4.8
123.11740	5.6
125.09607	2.2
133.10126	4.6
135.11708	9.0
137.05873	2.2
137.09628	22.4
137.13269	3.7
139.07550	35.0
139.11255	2.5
147.08095	3.8
147.11742	4.1
151.11191	10.4
161.13300	4.5
165.09183	8.3
165.12801	6.7
171.11443	2.8
175.14948	2.7
179.14319	5.0
189.16522	2.8
191.66278	2.4
193.15936	3.8
207.17424	2.9
287.05496	17.9
315.50186	2.3
347.29523	4.6
403.39365	26.8
431.38892	100.0
432.39285	2.5
449.39990	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01863	1.4
55.05517	8.2
57.03436	4.3
57.07080	1.0
65.03949	1.2
67.05508	31.4
68.99792	0.6
69.03430	0.6
69.07072	10.6
71.01362	1.1
71.05003	2.6
79.05497	20.5
81.03415	2.2
81.07062	24.6
83.04989	5.1
83.08626	4.8
85.06545	2.2
85.07082	0.4
91.04958	0.8
91.05491	11.7
91.06058	0.7
93.07051	28.4
95.04969	3.7
95.08614	7.5
97.06551	5.2
97.10167	2.9
97.10698	0.5
98.30347	0.5
99.04450	0.6
99.08097	1.2
105.04554	0.8
105.07039	7.2
107.04970	1.6
107.08601	17.5
109.06512	1.6
109.10176	2.5
111.08080	2.2
117.07034	4.1
119.06085	0.7
119.08585	6.2
121.06540	0.9
121.10151	6.8
123.11719	0.7
125.09615	0.8
128.06215	0.7
130.07745	0.7
131.08577	4.0
131.88730	0.5
133.10146	4.4
135.04419	1.7
135.11700	18.0
137.02325	0.7
140.88617	0.5
142.07848	0.6
143.08557	1.9
145.10136	4.6
147.11685	2.3
147.12955	0.4
149.09711	0.7
149.13268	10.0
153.01846	5.6
153.09135	0.6
153.12761	1.7
154.58543	0.5
155.08578	0.9
157.10156	2.1
159.11688	5.3
161.13231	0.9
162.05432	0.5
163.11186	2.1
167.08606	0.6
169.10176	1.5
170.10899	0.7
171.11697	1.2
172.56079	0.5
173.13274	2.1
175.14836	1.8
177.12785	2.5
181.10222	0.9
181.12231	3.6
183.11699	1.1
185.13260	0.8
187.14760	1.1
195.11913	0.9
195.13837	3.5
197.13306	1.6
199.13240	0.7
199.14894	1.0
201.16228	0.6
207.11723	0.9
209.13272	2.3
211.14871	1.2
213.16489	0.8
219.11650	1.0
221.13319	1.0
223.14905	0.7
233.13216	1.0
235.14922	0.9
237.16418	0.7
249.16457	0.7
259.14645	0.7
261.16354	1.0
263.18008	0.9
275.18094	0.5
277.19452	1.0
287.05511	100.0
288.05817	4.0
303.21011	0.8
315.21323	0.6
317.22610	0.9
319.24225	2.1
323.20215	0.6
331.24298	1.0
361.21640	0.5
363.23300	1.2
375.23492	0.9
385.28784	1.2
403.29871	2.3
431.29446	5.3
449.10822	7.0
449.29376	29.2
450.11163	0.6
450.29944	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1785
Annotation	Dichotosin
Peak:m/z	Relative Intensity
59.93667	0.3
61.02865	0.3
67.01823	0.5
68.99757	0.5
69.03384	0.7
69.07001	0.3
70.06557	0.6
71.61353	0.3
79.05440	0.3
81.03356	0.4
84.75150	0.3
85.02877	0.5
97.02876	0.5
107.04900	0.4
124.11177	0.3
127.03868	1.2
130.06456	0.4
134.16736	0.3
135.04443	1.4
137.02316	0.4
153.00725	0.4
153.01837	6.8
158.05978	0.4
161.02306	0.4
169.50224	0.2
179.03343	0.3
185.04300	0.5
206.04291	0.3
213.05374	0.3
223.06059	0.3
223.37903	0.3
241.04869	0.8
243.08821	0.7
244.09572	1.0
259.06012	0.3
269.04358	0.4
287.05515	100.0
287.12466	33.9
288.05859	3.3
288.12762	0.7
349.35678	0.3
379.15997	0.5
449.17975	40.0
450.18054	1.5
454.76328	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	0.8
55.05508	1.3
57.03446	0.5
67.01866	0.5
67.05489	2.2
69.03421	0.5
69.07071	0.8
69.34589	4.3
79.05492	5.7
80.86044	0.4
80.88512	0.4
81.03427	0.7
81.07063	1.9
83.08612	0.6
91.05483	7.1
93.07034	2.1
95.04977	1.4
95.08613	1.6
99.08108	0.4
103.04776	0.8
103.05471	22.0
105.07033	74.2
106.07349	0.5
107.04971	0.6
107.08613	1.2
109.06551	0.5
109.10168	1.5
115.05475	1.0
117.07034	0.9
119.08601	1.2
121.10129	0.9
123.11767	0.6
127.42374	0.4
128.06219	2.1
129.07018	2.7
131.08618	0.7
133.10135	0.7
135.04457	2.2
135.11716	1.3
137.02376	0.6
143.08566	1.5
145.06598	0.6
145.10123	1.1
147.11664	0.6
149.13295	0.5
151.07603	0.4
152.06250	0.5
153.01833	6.2
155.08614	0.8
161.02380	0.6
165.07001	1.3
167.08545	1.0
169.10150	0.7
171.02914	0.6
171.08093	4.7
173.13228	0.6
175.14938	0.5
178.07806	3.4
179.08546	2.6
180.09309	0.6
181.10126	0.9
183.11703	0.6
186.77513	0.5
191.08588	2.7
192.09337	2.4
193.10141	3.4
195.08167	2.1
203.08569	1.3
205.10094	0.5
206.10916	3.7
207.08052	4.6
215.08658	0.9
216.09279	2.1
219.06262	0.6
219.08118	1.9
220.08827	3.7
221.09647	3.2
221.13208	1.5
222.10338	0.8
231.11678	0.8
233.09518	0.6
234.10393	3.8
241.04951	1.0
249.12764	37.6
250.13118	1.1
276.68790	0.4
287.05505	98.7
288.05890	2.2
327.17441	33.9
328.17722	0.9
394.99188	0.7
395.99619	0.5
405.22144	100.0
406.22433	3.5
449.10956	6.1
449.24762	23.1
449.30249	1.5
450.25085	0.9
469.73596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	0.1
67.01864	0.6
67.05505	0.1
68.99785	0.5
69.03413	0.1
70.06544	0.1
71.03563	0.1
71.05000	0.1
74.28332	0.1
79.05486	0.1
81.03405	0.1
81.07040	0.1
85.02898	0.1
89.03923	0.3
91.05463	0.1
95.08597	0.1
97.02878	0.1
97.06544	0.1
107.04948	0.1
109.02874	0.1
111.00821	0.1
111.04486	0.1
117.03377	0.3
119.04929	0.1
121.02837	0.0
121.10116	0.1
123.00787	0.2
125.02384	0.1
127.03922	0.1
128.13992	0.1
129.01854	0.1
130.73303	0.1
132.01250	0.1
135.04422	2.0
137.02350	0.6
137.05984	0.1
139.05414	0.1
140.03461	0.1
143.03328	0.1
153.01828	6.0
154.02190	0.1
157.06526	0.1
161.02344	0.5
164.07031	0.1
169.01302	0.1
171.02893	0.4
171.04147	0.1
179.03407	0.5
181.05016	0.1
185.05901	0.1
189.05492	0.1
199.03889	0.1
201.05405	0.1
203.03349	0.1
213.05461	0.2
219.06511	0.1
227.03523	0.1
231.06557	0.1
241.04927	0.6
245.04436	0.1
246.15016	0.1
259.06012	0.2
263.05386	0.1
264.72330	0.1
269.04413	0.6
286.04547	0.1
287.05493	100.0
288.05820	2.4
332.11783	0.1
341.34143	0.1
449.09988	0.3
449.20117	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	449.108
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01867	0.7
68.99779	0.5
69.03423	0.1
69.57484	0.4
69.57889	0.1
71.88907	0.1
79.05472	0.1
81.03415	0.1
81.09322	0.1
85.02898	0.1
89.03911	0.2
96.05088	0.1
98.20797	0.1
98.81617	0.1
99.86931	0.1
107.04962	0.1
109.02902	0.1
111.00844	0.1
117.03387	0.3
127.03834	0.1
129.01808	0.1
135.04420	2.0
137.02324	0.7
147.04387	0.1
148.10481	0.1
153.01834	6.3
161.02367	0.7
171.02884	0.4
171.04271	0.1
179.03400	0.4
185.05959	0.1
189.05481	0.1
199.03899	0.1
203.03389	0.2
213.05417	0.2
219.06604	0.2
241.04945	0.8
245.04529	0.1
258.36908	0.1
259.06067	0.1
269.04425	0.5
287.05502	100.0
288.05792	1.7
449.10855	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
67.01868	0.6
68.99785	0.3
69.03402	0.3
70.40129	0.4
85.02896	0.3
89.03900	0.2
95.68113	0.1
97.02893	0.1
107.23268	0.1
114.84896	0.1
117.03336	0.2
122.23913	0.1
123.62738	0.1
129.01794	0.1
132.08823	0.1
135.04416	1.6
135.30997	0.1
137.02318	0.4
153.01826	5.2
161.02321	0.5
171.02939	0.3
179.03371	0.2
213.05464	0.2
231.06596	0.1
241.04965	0.4
259.06097	0.1
269.04486	0.5
287.05496	100.0
288.05856	1.6
449.10809	17.2
450.11145	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.108
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
54.61174	0.1
60.43320	0.1
67.01866	0.6
68.99793	0.4
70.39297	0.3
85.02892	0.1
89.03912	0.1
93.09141	0.1
98.21426	0.1
107.04956	0.1
109.02976	0.1
110.75981	0.1
117.03364	0.3
119.04910	0.1
129.01862	0.1
135.04410	2.2
137.01447	0.1
137.02333	0.5
153.01828	5.8
161.02319	0.7
171.02885	0.3
171.04317	0.1
179.03369	0.4
185.05995	0.2
193.58401	0.1
241.04887	0.6
245.04430	0.1
259.05988	0.1
269.04413	0.5
287.05490	100.0
288.05804	1.9
449.10593	0.3
451.00366	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	449.1081
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03936	0.4
55.01860	0.3
55.92565	0.2
57.03424	0.8
61.02939	0.9
66.08123	0.2
68.99787	0.7
69.03426	2.9
70.90884	0.3
70.91230	0.4
71.04985	0.4
73.02906	0.3
76.67208	0.2
79.05482	0.3
81.03434	1.3
84.08129	0.2
84.29446	0.2
85.02416	0.4
85.02911	6.2
87.04466	0.4
91.03931	0.4
91.05473	0.3
93.07026	0.2
97.02901	2.3
97.36745	0.2
98.91668	0.2
99.04462	0.5
103.05460	0.2
105.03366	0.3
107.04933	0.4
108.68674	0.2
109.02907	1.0
111.00803	0.6
119.04939	0.8
120.08083	0.3
121.02853	2.3
123.00772	0.7
127.03942	1.2
133.02858	0.3
135.04410	0.2
137.02324	0.8
143.29213	0.2
145.04929	1.1
147.04420	0.7
153.01840	4.5
154.08620	1.2
161.02391	0.2
165.01865	1.4
169.01340	0.5
171.04413	0.3
183.02919	0.5
185.05971	0.3
213.05531	1.2
231.06564	0.5
241.04984	0.9
258.05264	0.9
259.06030	0.3
269.04465	0.7
271.06030	1.3
287.05502	100.0
288.05795	2.1
288.15991	0.5
373.11160	0.2
449.10776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
55.01860	0.2
55.05504	0.2
60.83394	0.1
61.02908	0.2
67.01875	0.6
68.25244	0.1
68.99797	0.2
69.03423	0.3
69.07082	0.2
69.62873	0.5
70.06580	0.2
72.82741	0.1
74.06054	0.1
79.01842	0.4
79.05472	0.2
81.03414	0.4
81.07034	0.2
84.08153	0.2
85.02900	0.5
86.09698	0.2
89.03897	0.2
91.05447	0.2
93.07077	0.2
96.77014	0.1
97.02888	0.6
105.51735	0.1
107.04959	0.3
109.02895	0.4
109.06516	0.2
112.46262	0.1
117.03342	0.2
124.11226	0.3
125.02329	0.6
127.03920	0.7
129.01819	0.1
130.06529	0.1
135.04416	2.0
137.02371	0.5
143.03400	0.7
153.01830	11.1
153.02922	0.6
161.02335	0.7
171.02885	0.4
179.03430	0.4
181.30045	0.1
203.03349	0.2
213.05559	0.2
238.24344	0.1
241.04970	0.7
245.04324	0.2
255.09857	0.2
269.04431	0.5
287.05484	100.0
288.05801	1.9
449.04782	0.2
449.10526	1.4
449.19696	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01859	1.6
55.05503	2.6
57.03438	8.5
59.79568	1.0
61.02922	1.5
69.03410	3.0
70.06598	1.7
70.65134	3.6
71.04997	64.1
73.02914	1.6
75.04466	5.1
80.00246	1.0
81.03401	1.3
83.04984	7.0
85.02908	100.0
86.09719	1.8
95.04987	1.4
97.02896	5.4
98.97573	1.2
99.04433	2.9
101.06004	1.2
103.03908	1.6
105.07003	3.0
109.02891	1.6
110.06032	1.1
111.04461	5.0
119.04914	1.8
120.08111	1.5
124.11256	1.3
127.03922	8.7
129.05484	36.1
145.04939	7.7
147.04466	2.0
147.06538	20.6
153.01843	4.0
155.03355	1.1
155.95607	1.0
158.11763	1.5
163.06012	1.5
164.09167	6.3
168.93459	1.1
219.01688	1.5
255.08542	1.3
285.03961	1.5
286.04388	1.6
287.05557	23.4
287.10382	1.4
448.16248	1.7
449.10168	1.4
458.53751	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.9
56.96545	0.9
57.07081	9.8
58.06590	1.8
67.05482	1.6
69.07059	1.2
70.04393	0.6
70.06597	18.4
70.20528	2.5
71.08636	3.7
79.05493	1.4
81.07043	1.9
85.10188	0.7
88.07638	22.6
91.05464	3.8
93.07008	1.0
95.04980	0.6
95.08617	0.9
102.08544	1.0
102.09186	16.8
103.05507	0.9
104.02599	2.3
105.07055	3.8
107.08598	0.9
109.06518	0.6
119.04936	2.4
119.05898	0.6
119.08603	0.7
121.10128	0.9
132.02078	8.3
136.01564	7.5
147.04416	28.6
148.05252	3.3
149.02374	1.0
153.01830	2.1
175.03915	50.2
176.04575	2.6
180.04185	10.3
180.13628	0.7
191.06996	3.5
193.04878	1.1
209.11426	0.6
219.06535	93.9
220.06956	1.5
243.54723	0.7
256.26361	53.6
257.26599	1.0
262.88098	0.6
287.05508	36.5
404.21094	1.5
448.30600	100.0
449.11060	3.0
449.30927	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	448.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.55158	0.8
55.05507	1.5
58.97794	0.9
67.05515	2.2
68.05022	3.0
69.03421	2.6
69.58633	6.7
70.06607	4.6
79.05494	3.4
81.03424	2.3
81.07062	5.1
82.06577	1.0
83.01354	7.1
84.08130	1.9
85.02911	3.2
85.25117	0.8
86.09704	0.9
91.05478	6.0
93.07060	3.4
95.04981	1.1
95.08601	2.0
96.08109	2.0
97.02927	1.8
98.09699	3.2
105.07035	2.6
107.04994	2.3
107.08616	2.4
109.02829	1.8
109.10201	1.0
117.07048	1.2
119.04962	1.3
121.06533	3.9
121.10149	1.5
122.07193	3.1
123.04401	2.6
124.07581	1.2
124.11259	4.6
125.02357	1.4
127.03922	3.9
129.07045	1.2
131.08578	8.4
135.04398	4.2
137.06038	1.6
138.05501	1.3
139.03912	30.0
147.04436	1.9
147.08131	1.0
149.05989	2.7
149.09610	11.5
151.03914	22.5
151.05809	1.1
153.01825	7.3
153.05502	2.7
159.08075	2.5
161.05977	2.1
162.06775	1.1
163.03929	9.3
164.07222	0.9
164.10747	1.8
165.05478	3.1
173.05980	1.1
177.05510	21.6
177.09111	64.8
178.09618	1.1
179.03493	3.3
179.07031	3.3
181.04990	2.0
182.08105	1.5
183.04318	0.9
185.06036	1.1
189.05513	3.2
189.09094	1.4
201.09190	2.3
202.08650	2.0
202.10747	1.2
203.07130	1.3
216.10188	4.8
218.11732	9.8
219.10220	1.8
220.09723	1.1
230.75330	1.0
236.12851	6.8
242.11830	2.1
244.13312	12.3
245.11668	1.6
248.12968	1.7
260.02893	1.1
262.14401	12.6
278.03793	1.6
280.15442	27.9
287.05484	9.9
301.07175	1.6
303.01263	1.6
304.01688	1.1
323.64807	0.9
325.11227	1.2
327.08588	4.9
328.14166	1.2
345.09695	1.6
386.15878	3.2
404.17206	3.8
412.17697	2.1
430.18610	20.3
448.19742	100.0
449.20096	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	448.1967
Annotation	Naamidine G
Peak:m/z	Relative Intensity
53.03947	1.1
53.55158	0.8
55.05507	1.5
58.97794	0.9
67.05515	2.2
68.05022	3.0
69.03421	2.6
69.58633	6.7
70.06607	4.6
79.05494	3.4
81.03424	2.3
81.07062	5.1
82.06577	1.0
83.01354	7.1
84.08130	1.9
85.02911	3.2
85.25117	0.8
86.09704	0.9
91.05478	6.0
93.07060	3.4
95.04981	1.1
95.08601	2.0
96.08109	2.0
97.02927	1.8
98.09699	3.2
105.07035	2.6
107.04994	2.3
107.08616	2.4
109.02829	1.8
109.10201	1.0
117.07048	1.2
119.04962	1.3
121.06533	3.9
121.10149	1.5
122.07193	3.1
123.04401	2.6
124.07581	1.2
124.11259	4.6
125.02357	1.4
127.03922	3.9
129.07045	1.2
131.08578	8.4
135.04398	4.2
137.06038	1.6
138.05501	1.3
139.03912	30.0
147.04436	1.9
147.08131	1.0
149.05989	2.7
149.09610	11.5
151.03914	22.5
151.05809	1.1
153.01825	7.3
153.05502	2.7
159.08075	2.5
161.05977	2.1
162.06775	1.1
163.03929	9.3
164.07222	0.9
164.10747	1.8
165.05478	3.1
173.05980	1.1
177.05510	21.6
177.09111	64.8
178.09618	1.1
179.03493	3.3
179.07031	3.3
181.04990	2.0
182.08105	1.5
183.04318	0.9
185.06036	1.1
189.05513	3.2
189.09094	1.4
201.09190	2.3
202.08650	2.0
202.10747	1.2
203.07130	1.3
216.10188	4.8
218.11732	9.8
219.10220	1.8
220.09723	1.1
230.75330	1.0
236.12851	6.8
242.11830	2.1
244.13312	12.3
245.11668	1.6
248.12968	1.7
260.02893	1.1
262.14401	12.6
278.03793	1.6
280.15442	27.9
287.05484	9.9
301.07175	1.6
303.01263	1.6
304.01688	1.1
323.64807	0.9
325.11227	1.2
327.08588	4.9
328.14166	1.2
345.09695	1.6
386.15878	3.2
404.17206	3.8
412.17697	2.1
430.18610	20.3
448.19742	100.0
449.20096	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	447.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	12.4
55.01875	9.8
55.05257	2.7
55.05510	34.9
56.96550	4.5
57.03445	13.6
60.09432	1.6
61.02912	3.2
65.03943	4.5
67.05506	73.9
69.03425	5.3
69.07073	20.1
69.47557	12.3
70.72539	1.6
71.01337	4.8
71.04978	5.7
73.02906	2.5
79.05495	68.0
81.03420	93.2
81.07059	48.0
83.04974	17.9
83.08621	28.6
85.02897	6.9
85.06542	5.5
91.03962	3.3
91.05479	55.8
93.07047	62.2
95.04972	50.4
95.08608	20.8
97.02898	6.6
97.06528	14.5
97.10173	16.6
98.97581	3.4
99.08058	2.1
103.05462	2.3
105.04502	2.6
105.07034	39.0
107.04953	17.1
107.08601	40.7
109.02901	3.1
109.06532	8.5
109.10155	13.0
110.97542	2.1
111.04450	2.0
111.08117	10.8
115.05451	4.7
117.07043	18.4
119.04914	3.3
119.08583	28.1
121.06516	15.3
121.10114	16.7
123.08043	4.2
123.11675	1.8
125.06017	2.7
125.09634	10.3
127.03933	1.8
128.06206	3.9
129.07004	22.3
131.04932	4.1
131.08557	21.7
133.06502	6.5
133.10164	13.6
135.08063	6.1
135.11696	40.7
137.06006	1.8
137.09631	5.2
141.06998	7.1
142.07779	4.1
143.08553	8.2
145.06459	10.2
145.10115	17.0
146.07291	1.8
147.08089	8.5
147.11694	11.7
149.09628	7.6
151.11127	1.7
153.09138	3.2
153.12767	2.2
155.08566	5.9
157.06525	2.0
157.10127	15.8
159.08109	4.0
159.11688	7.3
161.09602	4.1
163.11179	13.2
165.09167	2.5
165.12767	2.6
167.08514	3.4
169.10165	4.0
171.11678	3.9
173.09691	3.1
173.13261	2.9
175.11218	12.1
177.12782	2.2
181.12244	4.8
183.11697	6.5
185.13261	4.7
187.11218	4.5
189.09087	2.3
189.11198	3.4
193.12257	37.0
195.11705	2.7
199.11113	2.3
201.12703	3.6
203.14349	5.6
205.12268	4.1
207.11775	2.9
209.66010	1.7
211.13185	3.5
213.08128	2.4
213.12798	2.2
219.13896	2.3
220.61607	1.5
223.13304	2.7
225.12848	2.3
227.12711	2.6
229.12392	1.9
249.14896	4.6
257.15329	3.7
267.09167	2.7
269.10638	5.9
270.11017	2.0
285.10138	2.9
287.11841	2.3
299.11777	2.2
305.13599	1.9
315.61169	2.4
316.11749	2.1
316.61957	3.9
319.20569	1.9
327.23492	1.9
329.21298	4.2
337.21692	7.5
347.21951	2.3
355.22574	19.9
373.23795	11.5
403.24774	5.2
429.26181	14.6
447.27457	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.375
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	2.3
56.45525	1.3
57.23360	1.2
63.35488	1.3
67.05505	1.8
69.07064	3.5
70.79041	1.9
70.79383	2.7
71.08625	2.1
81.07054	3.0
82.51093	1.2
83.08614	2.6
89.93413	1.5
93.07078	2.0
95.08608	3.6
105.07044	1.5
109.10148	6.3
119.08570	3.5
121.06516	10.9
122.07309	1.5
136.08846	12.3
137.09605	12.3
149.09624	2.4
151.07626	1.4
152.08229	1.8
164.08330	25.2
165.09125	100.0
166.09477	9.5
177.09143	2.0
191.10788	1.6
205.12248	7.8
331.67880	1.4
408.41684	1.6
428.36478	23.0
446.20929	9.3
446.37552	59.3
447.21701	1.5
447.37958	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98069	0.4
51.02370	0.4
53.03953	3.5
55.01869	0.7
55.74407	0.4
57.03425	0.7
63.21204	0.4
69.03426	1.9
70.73477	0.8
71.01369	0.5
71.04973	1.3
73.02916	3.0
81.02973	0.5
81.03421	5.9
84.68021	0.4
85.02892	0.9
87.04456	1.1
91.05465	0.8
97.02899	5.4
99.04433	1.3
103.05455	1.9
109.02882	8.2
119.04972	0.8
127.03914	10.5
129.03377	0.8
131.04900	0.9
140.04156	0.5
145.02809	0.6
147.04401	2.1
153.01842	1.5
157.02864	1.7
159.04393	0.7
163.03871	1.0
171.30136	0.4
173.02353	1.2
175.03911	3.2
185.02286	2.5
187.03911	4.9
191.03439	1.7
201.01881	2.8
203.03391	5.7
213.01817	5.1
215.03369	4.7
219.02882	1.0
229.01331	3.3
230.02014	0.6
231.02885	23.5
231.82977	0.5
232.03204	0.6
241.01299	5.7
247.02307	3.6
257.00809	4.2
259.02383	38.1
260.02771	1.3
261.03949	0.7
275.01859	7.0
276.02667	4.0
277.03442	100.0
278.03775	1.3
279.14197	0.6
285.00302	3.3
303.01355	49.1
304.01517	0.7
321.02386	0.6
385.05438	1.0
444.49344	0.5
447.05481	4.4
447.18152	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.0
60.04522	1.3
64.72321	0.6
69.03423	4.1
69.07072	1.8
70.06593	64.0
71.04992	34.8
71.09126	1.3
81.03414	5.8
85.02890	2.3
86.09197	1.3
86.09706	20.1
88.07635	29.9
91.05860	0.9
91.73016	0.6
97.02898	3.2
98.06049	1.5
99.04458	1.7
109.02879	12.5
110.06038	0.8
112.07600	1.4
114.09151	1.9
116.07097	5.4
117.05532	0.8
120.08159	1.4
127.03922	25.3
130.08644	100.0
131.77141	0.6
132.10199	2.4
134.08154	3.9
138.05519	2.8
147.04398	1.1
153.01842	2.5
158.08148	3.8
164.10692	2.6
176.09178	19.5
178.08716	0.8
190.12250	0.9
218.10222	4.3
222.14856	1.0
247.42038	0.7
248.11317	1.1
248.16312	1.0
258.13522	1.0
259.02444	2.4
277.03384	4.7
278.14014	0.7
284.11404	6.0
284.14313	1.4
284.18536	1.2
302.12357	10.7
303.01321	4.0
320.13495	1.1
346.56326	0.6
428.22876	0.7
446.19257	1.1
446.24118	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	445.3682
Annotation	2alpha,3alpha,19alpha-Trihydroxy-28-norurs-12-ene
Peak:m/z	Relative Intensity
51.53983	1.1
53.03941	4.3
55.01887	2.2
55.05513	26.8
56.96563	2.6
57.03448	2.9
57.07075	2.2
62.89474	1.2
65.03951	2.1
67.05504	35.8
69.07074	18.1
70.99007	1.6
70.99344	1.7
71.04993	3.4
79.05492	28.9
81.03418	3.1
81.07062	40.5
83.04984	3.6
83.08624	21.6
85.06546	3.9
86.51235	1.2
91.05476	42.4
93.06464	1.9
93.07051	41.9
95.04977	6.1
95.08607	45.8
97.06533	5.4
97.10173	4.7
99.08098	19.0
103.05450	3.0
105.07034	48.1
107.04966	3.4
107.07870	2.4
107.08595	40.2
109.06506	6.5
109.10160	25.2
111.08081	6.5
113.09659	4.8
116.06180	1.3
117.07014	21.5
119.08579	41.7
121.06522	4.8
121.10143	28.2
123.08060	9.6
123.11717	10.9
125.09616	1.7
128.06226	2.4
129.07016	13.5
130.07811	2.4
131.08583	32.0
133.06467	1.5
133.10138	28.1
135.08063	11.5
135.11696	22.1
137.09601	6.7
137.13243	1.8
139.11218	2.1
141.07002	3.6
142.07794	1.9
143.08568	16.5
145.10129	23.1
147.08073	3.7
147.11691	14.5
149.09671	10.4
149.13274	7.6
151.11200	4.8
153.12865	1.6
155.08571	7.0
157.10170	10.3
159.08064	2.2
159.11711	14.9
161.09610	3.0
161.13278	9.7
163.11142	8.8
163.14857	6.2
167.08566	3.0
169.10127	7.6
170.10855	1.2
171.11693	7.6
173.09764	1.5
173.13278	6.5
175.11243	3.0
175.14838	5.4
177.12738	4.1
177.16371	4.1
179.14331	2.0
181.10104	3.7
183.11682	4.9
183.53673	1.2
185.13266	5.8
187.11256	1.9
187.14812	10.7
189.16425	4.5
191.14331	10.6
191.17943	19.2
193.15836	1.7
195.11771	3.6
197.13263	4.6
199.14821	3.9
201.16475	7.3
203.14476	1.4
203.17976	14.4
205.15828	4.3
207.17494	5.4
209.13339	2.7
209.15294	2.5
211.14862	2.8
211.96684	1.3
213.16431	3.6
217.15877	2.0
219.17430	20.5
221.15501	1.3
221.19028	1.8
223.14813	3.1
225.16405	1.6
227.18027	2.5
231.17392	1.9
233.15424	1.6
234.78113	1.6
237.18452	7.4
240.77446	1.2
247.16942	3.5
255.17410	2.2
259.17001	1.8
283.24063	2.0
305.84384	1.2
309.25748	2.1
325.25351	3.9
327.27075	1.7
335.23703	4.3
343.26303	4.8
353.24759	12.1
371.25797	16.6
381.27927	1.5
389.26831	17.8
409.34854	9.4
427.28879	2.1
427.35791	43.1
445.29651	68.3
445.36737	100.0
446.30292	1.8
446.36960	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	445.3677
Annotation	Topsentisterol C4
Peak:m/z	Relative Intensity
53.44205	3.0
54.44659	2.9
55.05516	26.0
57.07076	37.6
67.05508	32.0
69.06715	4.3
69.07069	63.2
70.19491	10.4
70.19894	5.2
71.01345	3.4
71.08642	30.5
74.01192	4.3
79.05494	25.2
81.07056	76.6
83.04998	4.3
83.08615	26.9
85.10179	16.1
86.35638	3.1
91.05453	22.6
93.07043	45.8
95.04961	6.2
95.08607	70.5
97.06537	3.1
97.10172	22.0
98.20778	3.4
99.04411	3.8
105.07027	61.6
107.07894	2.7
107.08594	58.4
109.06538	5.8
109.10157	47.2
111.08112	4.9
111.11685	15.1
117.07009	9.7
119.08575	38.4
121.06484	4.0
121.10146	45.3
123.08083	5.1
123.11707	27.2
125.13299	5.8
130.07796	3.0
131.08580	36.6
133.10132	39.7
135.08046	3.6
135.11714	25.4
137.09564	4.3
137.13234	13.3
139.07518	7.7
143.08566	12.3
145.10132	43.5
147.08066	3.5
147.11679	33.5
149.09604	4.7
149.13300	18.1
151.07463	3.8
151.14804	3.7
153.09132	3.8
153.41817	3.1
155.07016	10.9
157.10107	14.8
159.11693	34.2
161.13268	15.1
163.11099	3.5
163.14804	11.8
165.09140	22.6
165.16298	3.6
171.11690	11.6
173.13316	14.6
175.14835	8.0
177.09041	6.5
177.12653	3.1
177.16359	5.9
179.10643	3.2
185.13272	11.8
187.14848	10.2
189.12686	4.6
189.16376	17.4
191.10680	14.0
193.12241	6.9
199.14865	7.2
201.16393	11.4
203.17953	7.4
205.12283	8.9
207.21085	3.1
209.11731	4.5
211.14774	4.6
211.51001	3.4
213.16423	7.3
219.13785	4.5
227.17953	8.4
231.13823	5.0
231.21143	3.9
233.15378	5.4
233.22604	6.4
235.24026	4.8
245.15350	8.6
245.22787	4.8
247.24214	7.2
259.16858	4.4
261.25842	8.1
263.16522	4.9
273.18576	5.6
273.25827	4.2
287.19992	16.2
287.27472	3.8
288.96286	3.1
305.20941	5.8
341.31989	14.2
343.33582	30.1
367.33472	4.8
385.34607	6.9
409.34668	6.6
427.35657	49.3
445.36929	100.0
446.37430	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	60.1
57.07079	57.5
67.05511	29.9
69.07066	92.6
71.08631	37.1
71.47717	12.2
79.05494	21.7
81.07063	66.3
81.68204	5.8
83.04982	8.0
83.08619	47.2
84.62127	5.8
84.77908	5.5
85.10174	19.0
88.90981	5.5
91.05457	30.6
92.15253	5.3
93.07049	28.9
94.37029	5.1
95.08601	41.2
97.06523	7.4
97.10172	37.1
99.90176	5.5
105.07056	23.0
107.08567	32.2
109.06550	9.4
109.10159	24.3
109.86217	5.4
111.08076	8.4
111.11745	16.4
117.07050	13.2
119.08581	29.9
121.06483	10.0
121.10128	14.4
123.08092	11.2
123.11706	18.9
125.13270	10.6
131.08554	12.5
133.10149	12.0
135.08069	24.6
135.11722	6.1
137.05966	10.9
137.09627	13.4
139.07538	49.4
140.88377	6.1
143.08565	6.4
145.10133	13.8
147.08034	13.7
147.11732	9.4
149.09654	21.6
149.13310	10.4
151.07553	26.5
156.09282	6.2
157.10100	12.2
159.07991	8.0
159.11755	11.7
161.09647	12.1
163.07547	18.8
163.11200	13.4
163.14839	9.0
165.05495	9.1
165.09123	100.0
171.11694	17.8
173.09654	9.2
173.13310	7.7
175.07515	18.1
175.11220	19.8
177.09140	22.6
179.07001	7.8
181.08546	6.5
183.91631	6.5
185.09619	5.4
189.09076	9.0
189.12747	14.1
191.10687	15.7
193.08505	7.8
199.11147	13.2
201.12663	6.9
203.10689	25.0
203.14346	9.1
205.12247	9.8
217.12224	6.7
231.13771	12.0
289.29102	10.3
307.29941	12.1
341.32294	7.1
381.35101	8.3
399.36301	21.2
427.35916	26.9
445.36771	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	445.3679
Annotation	Nebrosteroid D
Peak:m/z	Relative Intensity
52.04836	0.8
53.03938	1.0
55.05514	9.5
57.03431	1.4
57.07077	1.9
62.00652	0.7
63.92846	0.9
64.56342	0.7
65.03947	1.2
67.05508	8.3
69.03411	1.3
69.07067	14.4
69.48861	3.1
69.49307	3.1
79.05490	7.8
81.07063	17.0
83.04974	2.2
83.08619	5.2
85.06543	1.4
89.91920	0.9
90.50463	0.8
91.05473	8.7
93.07050	24.4
95.04979	0.9
95.08614	28.4
97.06528	3.0
97.10164	7.7
105.07034	16.4
107.08597	40.2
109.06530	1.1
109.10164	18.5
111.08122	1.0
111.11723	1.5
113.09661	1.2
117.07030	1.9
119.08579	19.1
121.10149	26.2
123.11740	6.0
125.09614	2.2
128.06175	0.8
131.08559	5.5
133.10129	16.0
135.11705	21.0
137.13268	1.8
139.11189	6.4
143.08580	2.2
145.10118	12.7
147.11693	12.0
149.09642	1.4
149.13263	5.9
151.16154	1.0
153.12756	6.1
157.10156	2.8
158.10988	1.0
159.11710	17.8
161.13277	11.0
163.14822	28.3
165.16367	0.8
169.10088	1.4
171.11670	3.2
173.13249	7.2
175.14841	6.4
177.16367	3.6
179.14297	1.9
181.15877	22.0
183.11702	1.3
185.13289	3.8
187.14839	13.5
187.55849	0.7
189.16389	4.0
191.14349	2.4
191.17975	4.9
197.13190	1.3
199.14786	2.6
201.16394	31.2
203.17966	28.3
209.15253	1.1
211.14734	2.4
213.16379	6.0
215.17958	3.8
217.19464	1.6
219.17447	39.2
221.19029	1.9
225.16411	2.6
227.17986	7.4
229.19528	4.0
237.18478	19.7
239.17915	1.4
241.19460	2.5
243.21083	1.4
245.18800	1.5
247.20650	2.7
253.19524	3.6
255.21040	1.0
257.22400	1.0
265.21701	1.7
267.21075	2.9
281.22595	2.7
283.24246	3.5
293.77237	0.8
313.25433	0.9
349.28928	1.1
391.33578	11.7
409.34671	100.0
410.34808	3.3
427.35742	16.7
445.30453	1.6
445.36777	11.0
454.81134	0.8
469.50250	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.05515	7.3
56.54782	1.3
57.07066	3.1
58.72977	1.2
67.05502	7.3
69.07069	17.0
71.04985	1.9
71.31760	3.2
79.05486	8.8
81.07057	16.3
83.08613	8.0
85.06551	1.6
91.05487	8.8
93.07044	23.7
95.08604	30.4
97.06506	2.6
97.10176	7.7
105.07051	14.5
106.38508	1.7
107.07852	1.9
107.08584	38.4
109.06531	1.7
109.10152	19.7
111.54094	1.4
113.09608	1.8
117.06994	2.7
119.08590	21.7
121.10155	27.1
123.08067	1.7
123.11712	6.2
125.09629	3.3
131.08606	6.8
133.10123	17.5
135.11691	27.1
137.13249	2.5
139.11188	6.5
143.08537	3.0
145.10136	11.5
147.11696	13.8
149.13298	6.3
153.12727	4.8
154.62384	1.3
155.08585	1.4
156.09471	1.4
157.10170	3.1
159.11693	18.6
161.13269	10.1
163.14822	27.0
171.11646	3.2
173.13246	7.2
175.14886	7.0
177.16373	2.9
179.14391	2.0
181.12459	1.4
181.14397	2.4
181.15880	19.9
185.13272	3.2
187.14798	12.3
189.16373	3.7
191.14278	1.4
191.17921	5.4
197.13272	2.5
197.68893	1.4
199.14995	1.5
201.16373	33.3
203.17947	30.4
209.49335	1.3
211.14679	1.5
213.16396	5.7
215.18030	3.6
217.19582	1.5
219.17433	39.2
221.18968	1.5
225.16354	3.0
227.18024	6.3
229.19499	3.1
237.18489	16.0
239.18138	1.9
241.19481	2.8
247.20595	3.4
253.19458	3.4
267.21161	2.7
276.29608	1.3
281.22690	2.6
283.24197	2.7
370.52744	1.4
391.33548	10.8
409.34644	100.0
410.34915	1.9
427.35843	18.0
445.30585	1.8
445.36890	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.3
55.05513	20.6
56.96584	3.1
57.03410	3.2
57.07061	4.5
67.05171	3.2
67.05510	50.1
69.03412	3.7
69.07076	18.1
69.07381	3.5
71.04987	5.6
71.19804	6.6
79.05499	40.2
81.03417	7.0
81.07060	51.0
83.04966	4.2
83.08602	6.2
85.06525	3.3
91.05466	55.6
93.07047	42.4
95.04961	9.5
95.08613	31.3
97.06503	3.8
97.10191	4.9
105.06373	4.5
105.07035	59.6
107.04941	4.2
107.08558	18.6
109.06482	6.6
109.10153	10.8
117.07030	24.3
119.08589	31.1
121.06474	4.3
121.10153	16.9
123.11710	3.0
128.06194	5.0
129.06995	20.1
130.07878	3.9
131.08568	43.6
133.10141	19.3
135.11705	8.7
141.06975	5.9
143.08536	23.1
145.10126	25.7
147.08049	5.9
147.11659	9.7
149.09581	5.4
149.13255	3.8
150.30887	3.2
155.08537	9.9
157.10136	15.8
159.11685	10.4
163.11177	4.2
163.14888	2.9
167.08534	4.3
169.10120	7.8
171.11638	11.9
173.09653	4.3
173.13257	5.9
175.14842	3.8
181.10083	4.1
183.11758	3.2
185.13254	8.0
187.14850	5.2
189.16415	6.9
195.11757	6.0
197.13287	7.2
202.52551	2.8
209.13252	3.6
211.14890	5.7
223.14893	3.2
241.15947	3.2
247.17017	4.6
306.27054	2.9
335.23679	4.7
343.26334	6.5
353.24533	15.4
359.02869	3.2
371.25787	18.7
373.70337	3.1
389.26941	15.8
427.32150	6.4
445.29486	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.6
52.47795	1.2
53.03943	3.3
54.08957	1.1
55.01852	4.1
55.05303	1.2
55.05515	15.3
57.03429	3.3
57.07074	2.1
65.03941	2.1
66.81583	1.2
67.05161	2.2
67.05507	43.1
69.03424	2.1
69.07071	12.5
71.04974	1.8
71.61832	1.4
79.05051	1.9
79.05499	35.2
81.03408	2.9
81.06580	2.1
81.07062	38.7
83.04971	2.0
83.08620	6.2
85.06535	2.1
91.05481	47.6
93.07050	32.3
95.04952	5.7
95.08604	28.1
97.02887	1.2
97.06544	2.2
97.10175	3.5
99.08075	1.6
103.05456	2.1
105.07034	46.9
107.04969	3.5
107.08611	17.3
109.06503	4.9
109.10174	11.5
111.08063	2.8
115.05431	1.9
116.06266	1.4
117.07030	19.7
119.07773	2.1
119.08584	27.1
121.06490	3.7
121.10133	11.6
123.08062	3.7
123.11725	2.3
125.09607	1.7
127.57735	1.5
128.06227	3.6
129.07025	15.3
129.87111	1.4
130.07755	1.6
131.08578	32.1
133.06535	2.1
133.10146	15.8
135.08064	3.2
135.11687	6.4
137.09619	2.3
141.06993	4.8
142.07809	1.6
143.08556	16.9
145.06451	1.7
145.10135	18.8
147.08038	3.4
147.11707	7.2
149.09612	2.4
149.13246	2.3
151.11182	2.5
155.08559	8.1
157.10103	10.4
159.11711	11.4
161.09662	1.7
161.13232	2.8
167.08569	3.1
169.10117	6.4
171.11737	7.2
173.13245	5.1
175.14824	1.5
177.12723	1.5
181.10130	4.5
183.11739	4.7
185.13277	5.9
187.14825	2.5
191.14279	1.2
195.11696	3.9
197.13292	4.1
199.14795	2.7
201.16319	2.6
209.13255	3.1
211.14763	4.3
213.12926	1.5
215.14293	2.1
217.15855	2.2
223.14909	2.6
225.16432	2.8
227.14392	2.1
229.15959	1.5
233.15433	2.9
235.16985	1.6
237.16374	1.8
241.15787	2.5
243.17456	2.1
245.15347	2.9
247.16948	3.5
261.18555	1.4
268.35336	1.3
325.25311	3.9
335.23645	5.7
343.26480	3.2
353.24799	16.1
371.25793	16.2
389.26810	16.3
408.15002	1.3
427.28015	2.6
427.36157	1.8
445.29559	100.0
446.29736	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	445.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48807	0.2
53.03937	1.0
55.01880	0.2
55.05511	1.9
65.03922	0.6
65.52284	0.2
65.93836	0.2
67.01858	0.2
67.05489	0.4
67.15417	0.2
67.49104	0.2
69.03430	3.4
70.84679	0.3
73.04761	0.4
81.03417	3.0
81.52288	0.2
83.04984	7.5
85.02922	1.2
86.09698	0.3
91.05778	0.4
93.03407	1.0
97.02901	2.6
99.04459	0.8
109.02888	2.0
111.04454	3.4
121.02855	1.1
127.03920	100.0
128.04239	1.0
139.03909	5.0
145.04990	0.9
153.01834	0.5
157.04985	2.0
255.08669	1.4
283.08154	0.9
301.09250	1.5
319.10242	0.6
359.03546	0.2
454.85577	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63986	3.2
53.03944	10.1
55.05513	11.0
57.03452	20.8
57.07059	5.2
67.05508	47.1
69.03440	23.9
69.07063	8.0
71.04996	100.0
79.05493	15.3
81.03423	51.8
81.07063	63.2
83.04983	11.1
83.08619	10.3
85.02891	9.6
85.06543	10.5
91.05473	38.5
91.10293	3.7
93.07067	21.3
95.08599	23.6
97.02901	32.8
97.06533	9.0
98.20671	5.3
99.04453	5.6
105.07021	24.3
107.04861	3.7
107.08605	23.9
109.02895	9.1
109.06567	4.9
109.10154	19.4
111.04454	6.7
117.07030	7.4
119.08622	7.2
121.10162	11.2
123.11718	18.7
127.03935	7.3
129.05434	3.8
131.08603	5.9
133.10143	26.2
135.11694	7.7
147.11652	7.5
147.31236	3.9
149.09567	3.9
149.13292	4.7
151.11205	17.2
159.11710	10.4
161.39500	3.8
173.04472	28.9
177.12737	8.2
183.13785	7.2
187.13293	24.3
187.14706	4.5
191.17934	4.0
195.13817	8.7
201.14911	15.5
206.88991	3.8
213.14816	3.9
229.61418	4.8
257.17548	51.6
339.17981	4.2
359.02493	4.4
413.21768	9.9
427.35635	6.3
445.24359	58.3
445.30634	6.1
445.33139	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	445.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	2.1
51.26078	1.3
53.03946	4.5
55.01867	4.0
55.05511	18.4
57.03432	3.3
57.07066	1.3
65.03938	3.8
67.05505	40.9
69.03432	2.5
69.07069	12.9
71.04986	4.3
77.03966	1.4
79.05051	2.5
79.05494	39.2
79.65150	1.1
81.03421	2.6
81.07057	42.4
83.04979	5.5
83.08609	10.2
85.06535	2.4
85.11841	1.2
91.05476	48.1
93.07051	33.7
95.04987	7.9
95.08603	24.9
97.06523	5.9
97.10204	5.6
99.04458	1.2
100.61051	1.1
103.05473	3.1
105.04491	2.0
105.07034	50.0
107.04956	4.7
107.08598	17.5
109.06510	4.9
109.10167	12.6
115.05454	2.9
116.06233	1.4
117.07017	25.9
119.08591	35.2
121.06506	5.2
121.10143	12.4
121.55869	1.2
123.08083	5.3
123.11687	2.1
125.09612	3.7
128.06227	4.2
129.07010	20.0
130.07759	1.3
131.07573	2.2
131.08577	44.8
133.06459	4.6
133.10138	19.4
135.08072	4.7
135.11681	6.5
137.09622	2.1
139.11139	1.2
141.06978	7.6
142.07771	1.6
143.08575	15.7
144.09438	1.6
145.06526	2.4
145.10129	24.8
147.08022	4.3
147.11676	7.5
149.09576	2.3
149.13235	2.3
151.11221	1.6
154.07742	2.0
155.08571	8.6
157.10155	11.2
159.08012	2.3
159.11720	10.5
161.09590	2.9
161.13281	4.5
163.11201	3.5
167.08591	1.9
169.10106	10.0
171.11710	9.7
173.09732	1.6
173.13255	4.8
175.11156	2.7
175.14902	2.3
177.12666	3.0
181.10147	4.4
183.11772	6.7
185.13295	6.2
187.11189	2.4
187.14830	3.5
189.16301	1.8
193.12169	2.0
195.11714	3.3
197.13280	5.4
199.11215	1.3
199.14830	3.6
201.16406	1.9
209.13341	3.4
211.14819	4.1
213.16386	1.4
217.15892	2.2
219.04869	1.2
219.13780	1.4
223.14757	3.4
225.16367	2.2
227.14407	2.8
233.15411	3.1
235.16949	2.1
237.16331	1.9
240.68927	1.2
243.17461	2.5
245.15063	1.7
247.17038	4.1
255.17480	1.4
261.18442	2.8
273.18594	1.5
275.20071	1.3
283.15747	1.3
299.19867	1.3
307.24237	1.6
325.25381	3.8
335.23734	6.1
343.26346	5.7
353.24774	18.7
359.03207	1.7
371.25793	18.5
389.26868	20.5
427.28220	2.7
445.29471	100.0
446.29877	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	444.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.7
55.05499	2.0
56.05027	1.0
64.10676	0.9
67.05502	2.0
69.03439	2.8
69.45145	0.8
69.69745	2.2
69.70168	3.3
69.82574	1.0
70.06583	2.4
72.08157	2.6
79.05495	3.5
81.03407	1.5
81.07051	3.2
83.04996	1.1
85.02896	1.2
91.05476	4.1
93.07040	2.1
94.06572	1.8
95.04949	1.3
95.08617	3.0
97.02859	2.5
97.06488	1.4
98.97554	1.4
105.07037	3.6
107.04953	1.3
107.08552	1.0
109.02890	1.4
109.06499	1.2
109.10130	1.8
110.09664	2.5
111.08073	5.1
115.05475	1.1
119.04958	2.2
119.08582	1.0
121.02845	1.4
122.03638	3.2
122.09647	2.7
123.08068	2.7
123.11784	0.9
124.11248	2.2
125.09608	2.1
125.12080	1.1
127.03905	2.6
128.04208	1.1
128.10738	2.9
130.04214	1.2
131.04974	0.9
137.05983	47.4
140.10703	7.1
141.09109	1.3
143.13098	1.4
145.06490	1.1
146.03624	1.1
147.04384	4.2
151.03940	3.5
153.01801	1.2
154.05067	1.3
158.11632	1.0
161.05989	4.8
162.05487	2.1
162.06697	1.9
163.07558	1.6
173.06015	3.0
176.08070	0.9
178.07745	1.5
185.06036	1.2
186.03149	2.6
189.06978	2.5
201.05463	48.1
205.06461	4.6
206.07230	4.8
213.05449	5.8
217.06577	3.0
218.07222	2.3
219.07901	1.4
222.06833	1.1
223.07745	1.3
231.06512	4.2
233.05876	4.2
234.06760	17.1
235.07515	3.7
237.09161	2.1
244.05263	1.2
245.05968	3.8
246.06718	1.8
247.07440	1.3
247.13348	2.1
248.08371	1.7
249.05563	1.0
249.09059	6.9
250.06245	3.4
251.07083	3.0
259.07468	2.0
261.05606	2.5
262.03622	1.5
262.06281	16.2
263.06946	4.0
264.07907	1.7
265.08624	5.1
265.78647	0.9
266.09430	1.1
273.05444	3.9
274.06207	2.3
276.07950	2.1
277.05298	1.5
277.08569	18.1
278.05801	1.9
278.09030	1.4
279.06595	3.0
282.11258	1.1
287.07004	3.3
289.04987	1.4
290.05740	25.1
291.06552	1.3
291.10074	2.3
292.07339	2.8
293.08243	4.3
294.08728	3.0
295.09567	2.6
304.07321	1.8
305.08078	44.6
307.06042	2.3
307.09650	5.2
309.11139	2.4
319.09653	5.9
322.08365	3.8
325.10724	15.5
337.10709	100.0
338.10971	1.9
355.11786	16.7
384.15097	2.1
408.30975	2.4
426.11783	3.5
426.32217	1.8
444.12997	2.3
444.22354	1.4
445.20450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.3
53.61102	1.1
56.96561	2.1
57.03423	4.5
60.30540	1.0
61.02949	6.7
61.03195	1.2
69.03439	22.1
69.92931	5.4
70.06586	2.4
72.08144	1.9
73.02911	3.5
74.20738	1.2
81.03417	9.4
83.01347	1.9
85.02412	2.1
85.02906	40.5
87.04462	4.5
91.03958	2.7
91.05484	1.4
94.60694	1.1
97.02901	20.9
98.20776	1.9
98.97580	4.3
99.04428	3.3
109.02870	5.0
112.99172	2.5
120.08101	5.1
127.03941	9.8
128.98543	1.5
131.00168	1.4
132.08090	1.6
134.93259	1.3
136.06224	1.4
136.11229	3.2
145.04977	4.7
146.09619	2.7
147.10422	1.5
148.11192	5.8
150.07881	1.3
150.09090	1.4
153.01797	4.9
154.02208	1.1
158.09732	1.5
158.99547	1.2
160.11177	2.3
161.08469	2.6
162.09172	1.3
164.10728	36.4
165.11485	7.4
166.08653	1.6
166.12215	1.2
171.05051	1.2
174.09174	7.1
176.10718	22.9
187.09982	1.8
188.10756	1.7
190.12004	1.3
194.11813	5.0
200.10802	1.2
202.08698	2.8
202.12265	9.3
204.10207	100.0
205.10773	1.6
216.10201	14.0
219.01819	1.8
222.11252	12.7
237.02898	3.3
246.11299	18.1
259.06671	1.6
262.07935	1.3
264.12262	10.0
266.13882	68.5
267.14157	1.7
277.03348	1.4
282.13379	13.1
293.05600	1.3
295.61612	1.4
310.10983	1.3
384.16541	1.5
409.25543	1.2
444.18655	71.8
445.11282	2.1
445.19006	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	444.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.3
55.10477	2.2
56.96563	3.0
67.48042	2.7
69.03426	6.2
69.07081	14.0
70.06602	4.6
71.05002	2.9
71.61246	3.2
78.26836	2.2
79.05492	2.9
81.03403	5.5
81.07059	4.3
83.49938	2.3
85.02898	10.8
86.09719	2.1
95.08629	3.5
97.02911	6.1
98.97598	11.7
99.04480	2.5
100.41579	2.2
105.07028	2.6
109.02888	5.7
109.06494	3.2
110.09689	6.0
116.98640	3.5
119.04968	3.3
119.08614	2.6
120.08130	3.0
124.11238	36.6
125.12006	3.5
127.03909	11.9
128.04272	2.9
131.08530	3.2
137.05965	3.0
147.04428	12.7
150.09091	3.7
151.07567	12.9
152.10715	83.7
153.01839	52.3
154.02165	20.1
158.99730	2.7
164.10735	26.9
166.08717	4.3
173.13240	4.4
177.00787	3.5
181.10960	2.7
182.11766	22.0
190.08611	2.5
210.11203	3.2
214.08559	3.3
219.01878	2.6
223.09027	3.9
236.12958	2.4
244.99915	2.1
247.13435	3.7
264.12296	14.4
266.25751	2.5
273.59854	2.7
282.13385	100.0
282.16550	5.6
290.09070	3.9
301.13309	2.7
315.01270	4.2
347.13632	4.1
347.68335	2.4
380.12231	7.3
384.15302	2.7
400.72183	2.2
426.11356	7.1
427.16336	3.0
444.12363	5.3
444.17670	5.5
444.23346	4.5
445.18307	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	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	5.6
59.66346	2.4
61.59943	2.2
67.05493	8.9
69.07056	8.9
71.61624	3.5
79.05492	6.2
81.07071	21.0
83.08627	6.8
91.05463	8.3
93.06503	2.5
93.07056	13.6
95.08612	36.6
97.10208	3.2
103.08099	2.6
105.07026	13.1
107.08601	25.3
109.10146	20.3
119.08569	15.3
121.10157	19.7
123.11684	7.5
125.09611	3.0
131.08557	4.7
133.10150	11.6
135.11707	12.8
137.13254	4.0
145.10101	8.5
147.11684	11.7
149.13219	10.4
159.11726	4.8
161.13239	7.0
163.14807	8.9
173.13275	5.7
175.14764	6.1
177.16418	8.6
187.14870	4.1
189.16362	6.8
191.17953	14.0
201.16414	4.4
203.14317	2.7
203.17996	10.6
207.17480	4.8
217.19527	8.3
235.20558	3.9
413.37814	3.1
425.33789	7.5
425.38641	3.7
443.33609	100.0
444.33798	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	444.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.3
55.10477	2.2
56.96563	3.0
67.48042	2.7
69.03426	6.2
69.07081	14.0
70.06602	4.6
71.05002	2.9
71.61246	3.2
78.26836	2.2
79.05492	2.9
81.03403	5.5
81.07059	4.3
83.49938	2.3
85.02898	10.8
86.09719	2.1
95.08629	3.5
97.02911	6.1
98.97598	11.7
99.04480	2.5
100.41579	2.2
105.07028	2.6
109.02888	5.7
109.06494	3.2
110.09689	6.0
116.98640	3.5
119.04968	3.3
119.08614	2.6
120.08130	3.0
124.11238	36.6
125.12006	3.5
127.03909	11.9
128.04272	2.9
131.08530	3.2
137.05965	3.0
147.04428	12.7
150.09091	3.7
151.07567	12.9
152.10715	83.7
153.01839	52.3
154.02165	20.1
158.99730	2.7
164.10735	26.9
166.08717	4.3
173.13240	4.4
177.00787	3.5
181.10960	2.7
182.11766	22.0
190.08611	2.5
210.11203	3.2
214.08559	3.3
219.01878	2.6
223.09027	3.9
236.12958	2.4
244.99915	2.1
247.13435	3.7
264.12296	14.4
266.25751	2.5
273.59854	2.7
282.13385	100.0
282.16550	5.6
290.09070	3.9
301.13309	2.7
315.01270	4.2
347.13632	4.1
347.68335	2.4
380.12231	7.3
384.15302	2.7
400.72183	2.2
426.11356	7.1
427.16336	3.0
444.12363	5.3
444.17670	5.5
444.23346	4.5
445.18307	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	443.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	12.9
56.74682	2.2
57.07064	4.4
57.32738	2.2
67.05505	22.5
69.07069	21.6
69.59869	15.5
79.05485	15.1
81.07059	55.8
83.04971	2.2
83.08614	10.5
85.06538	3.5
91.04980	2.6
91.05463	14.3
93.07044	37.6
93.83559	1.9
95.04970	2.6
95.08613	100.0
97.06561	2.6
97.10150	6.3
105.07037	28.2
107.08604	60.9
109.06519	2.2
109.09439	3.9
109.10155	61.5
111.08091	4.7
111.11703	2.4
117.06986	2.4
119.08598	38.4
121.09296	3.7
121.10146	53.6
123.08090	3.8
123.11727	22.5
125.09631	2.9
129.06966	2.3
131.08585	11.0
133.10136	27.3
135.11697	38.1
137.13251	14.8
138.69534	1.9
139.11162	4.4
143.08549	4.3
145.10126	21.8
147.11713	31.1
149.13249	32.6
151.11189	2.5
157.10143	5.6
159.11717	17.6
161.13292	21.4
163.11182	2.7
163.14816	33.3
165.16429	3.1
171.11658	3.7
173.13274	9.8
175.14864	14.9
177.12665	2.8
177.16396	27.8
179.14246	5.8
182.20503	2.2
185.13266	4.3
187.14816	30.3
189.16379	13.2
191.17950	39.8
201.16396	10.8
203.17949	24.5
205.15869	51.5
205.19530	9.1
207.17380	5.6
213.16425	5.2
215.18018	8.2
217.19514	32.8
219.17404	2.7
221.19000	9.1
223.16901	4.9
223.53806	1.9
227.18021	3.5
229.19556	6.5
233.18893	4.5
235.20564	14.9
241.19270	2.0
243.20869	2.9
245.22585	2.2
247.20547	2.7
247.24191	2.2
255.21021	2.7
269.22336	2.7
271.24072	3.1
312.08752	2.2
350.03326	2.1
387.40781	2.2
395.36551	5.3
407.37396	3.9
413.37744	7.6
425.38654	20.2
443.35110	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	443.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	14.3
57.03458	2.4
57.07064	4.3
67.05508	27.1
69.07068	17.9
69.58763	13.1
69.59193	5.0
72.33913	2.4
79.05492	15.0
81.07061	47.3
82.78506	2.8
83.08636	8.9
91.05478	16.3
93.07051	41.9
95.08612	100.0
97.06494	5.5
97.10184	9.6
105.07032	32.4
107.08603	64.3
109.10166	59.4
111.08089	4.7
111.11775	3.5
117.07049	4.2
119.08589	50.9
121.10146	59.8
123.08120	4.1
123.11703	26.1
125.09641	5.0
131.08577	6.8
133.10129	42.7
135.11703	31.9
137.13232	7.6
143.08556	3.6
145.10107	17.4
147.11674	28.3
149.13264	24.1
151.11180	3.0
157.10074	3.5
158.04173	2.8
159.11725	14.8
161.13289	23.9
163.14825	39.3
165.09174	4.6
169.66858	3.0
171.11708	4.0
173.13303	8.7
175.14842	20.6
177.16415	28.3
179.14377	5.7
185.13268	3.1
187.14833	16.1
189.16405	24.7
191.14273	4.2
191.17961	51.8
199.14803	4.2
201.16423	6.7
203.17966	27.1
205.15875	10.3
205.19505	7.3
207.17462	8.2
215.17944	7.2
217.16089	2.7
217.19553	39.1
219.17422	3.4
219.21121	2.7
221.19020	11.0
227.17946	2.9
229.19499	5.7
231.21159	4.6
233.19078	4.5
235.20564	24.2
241.99022	2.4
243.21172	3.6
245.22862	4.7
254.27654	2.6
263.23853	3.2
395.36765	6.4
413.37784	11.2
425.32980	4.3
425.38538	19.2
443.29813	3.3
443.35294	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	443.3884
Annotation	alpha-Onocerin
Peak:m/z	Relative Intensity
55.05509	11.8
57.07045	3.9
67.05515	17.9
69.07058	16.1
70.93724	6.1
79.05499	10.2
81.07060	49.7
83.08604	8.3
85.06546	4.3
91.05474	11.8
92.11078	3.3
93.07044	33.5
95.08612	100.0
97.10159	6.6
105.07043	22.8
107.08598	50.6
109.10163	56.9
119.08576	31.4
121.10146	54.5
123.11735	23.5
133.10135	24.1
135.11702	40.8
137.13243	8.6
139.11162	4.8
140.15820	2.8
145.10144	4.9
147.11702	17.4
149.13251	20.2
159.11707	9.0
161.13210	21.3
162.20395	3.5
163.14819	34.3
165.12677	4.0
173.13254	5.9
175.14841	10.4
177.16447	20.7
179.14285	5.4
182.39146	3.2
187.14836	4.7
189.16350	15.3
191.17955	82.1
193.16153	3.1
203.17990	23.6
205.19556	7.3
207.17433	7.0
215.18010	5.7
217.19528	30.4
219.17589	3.5
221.19066	14.5
231.21140	3.7
235.20598	30.9
243.21210	3.2
329.28372	3.7
407.32999	13.0
413.38184	6.9
425.38150	24.4
443.33539	23.7
443.39017	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	443.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	12.8
57.07043	3.9
67.05508	24.0
69.03416	3.0
69.07070	19.9
69.59881	16.9
71.04983	2.7
77.03838	2.7
79.05500	20.8
81.07059	54.3
83.04958	3.4
83.08609	10.1
91.05477	25.2
93.07042	44.1
95.04962	4.0
95.08607	100.0
97.06544	5.4
97.10129	4.7
105.07032	70.2
107.08604	67.9
109.06525	5.2
109.10159	56.0
111.08054	4.7
117.07028	8.3
119.08590	70.8
121.06491	11.6
121.09290	4.5
121.10143	53.4
123.08090	4.7
123.11709	15.6
125.09595	3.9
127.03923	15.9
129.07007	4.3
131.08577	29.1
133.10127	54.9
135.08040	8.5
135.11714	23.9
137.09601	10.0
137.13269	5.5
142.07784	4.9
143.08556	8.1
143.10721	3.4
145.10127	48.4
147.08006	4.2
147.11694	43.8
149.09583	4.1
149.13278	21.9
157.10144	17.3
158.10907	4.1
159.11691	33.5
161.09616	6.0
161.13277	30.5
163.11198	5.6
163.14824	33.6
165.09116	60.5
166.49956	2.7
167.07005	2.7
169.10162	2.8
170.10899	3.3
171.11687	9.9
173.13277	34.0
175.11191	6.6
175.14836	36.3
177.12740	7.4
177.16397	26.4
180.14688	2.5
183.11745	3.2
185.13223	9.1
187.14838	32.6
189.12778	6.4
189.16394	33.6
191.14297	31.2
191.17973	23.6
192.14676	8.6
197.13287	5.0
199.14854	16.3
201.16336	14.3
203.14348	9.9
203.17964	92.2
204.18250	4.3
205.15884	20.1
205.19476	3.3
209.15332	25.7
211.14818	4.5
213.16306	5.0
215.14352	3.6
215.18027	3.4
217.15918	12.1
217.19493	5.9
219.13797	5.0
220.10481	2.6
221.15331	3.9
225.16418	3.4
227.17949	5.1
229.15886	2.5
229.19441	4.2
231.21101	9.2
235.16919	2.8
247.16966	2.8
298.92908	2.4
311.23550	2.9
339.12222	2.7
365.94296	2.5
389.32022	4.2
395.33334	3.8
397.33722	3.2
407.33142	17.9
425.34036	7.2
443.25955	9.2
443.35355	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	443.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77412	3.9
50.89163	3.0
54.05087	3.8
55.05524	18.4
55.32418	3.0
56.16215	3.2
57.07067	5.5
67.05505	31.0
69.07061	18.5
69.71803	19.9
70.69151	2.8
74.72868	3.1
79.05507	23.9
80.48647	3.1
81.07061	58.3
83.04962	5.0
83.08615	10.7
91.05479	34.4
93.07058	50.0
95.04977	8.8
95.08613	100.0
95.09577	3.8
97.06551	5.9
97.10172	7.6
105.07033	74.5
107.08598	88.7
109.06525	4.7
109.10159	58.3
111.08067	6.7
114.71258	3.2
115.48540	3.3
115.72811	3.4
117.07048	13.1
119.08583	87.7
121.06512	10.1
121.10152	54.7
123.08093	4.7
123.11700	15.6
125.09602	4.0
129.07027	8.1
131.08568	32.4
133.10136	61.1
135.08046	10.0
135.11702	30.4
137.13272	4.7
142.07851	5.5
143.08572	11.1
145.10132	42.0
147.08009	4.4
147.11696	52.3
149.09772	6.0
149.13271	30.1
155.08562	5.1
157.10139	19.5
159.11697	37.2
161.09631	9.7
161.13274	39.7
163.11234	7.2
163.14821	38.3
165.09146	14.7
170.10880	4.9
171.11647	15.6
173.13269	30.0
175.11232	7.0
175.14830	54.9
177.12724	11.1
177.16409	25.6
185.13289	15.8
187.14813	36.4
189.12817	10.1
189.16368	37.1
191.14310	29.9
191.17992	27.8
192.14694	5.5
199.14847	18.4
201.16397	15.4
203.14375	17.0
203.17970	98.3
204.18288	5.2
205.15878	24.3
205.19481	4.5
207.17603	4.1
209.15382	24.5
211.14899	5.1
213.16425	8.6
215.14322	4.6
215.17973	10.0
217.15929	17.6
221.15343	4.9
227.17982	4.9
229.15790	4.0
229.19405	5.1
231.21074	5.3
235.17055	4.5
241.19502	5.3
243.17403	4.3
243.21202	4.0
281.22516	3.7
311.23676	7.8
389.32132	5.1
395.32877	4.4
397.33997	4.4
407.33145	13.9
425.34003	12.9
443.35446	18.4
453.93912	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3525
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.01862	3.1
55.05506	10.1
57.07081	2.8
67.05508	13.8
69.03415	2.2
69.07072	13.5
69.64095	8.1
79.05489	11.1
81.07062	30.6
83.04972	4.6
83.08604	5.8
91.05493	10.5
93.07048	26.0
95.04958	4.2
95.08609	39.0
97.06516	2.4
97.10167	3.3
105.07040	23.2
107.08604	37.9
109.06526	7.3
109.10168	21.8
111.08081	3.8
117.07034	4.5
119.08591	40.7
121.09406	2.8
121.10166	29.7
123.08058	8.6
123.11691	8.3
125.09653	2.3
131.08540	8.8
133.09203	2.9
133.10132	26.8
135.08043	3.6
135.11717	26.6
137.09618	4.3
137.13257	2.3
139.11162	8.5
143.08549	6.4
145.10141	15.4
147.08003	2.5
147.11691	19.4
149.13269	9.4
151.11169	10.3
152.22209	1.9
157.10136	7.2
159.11684	20.5
161.09615	2.7
161.13264	20.0
163.14850	17.6
171.11659	4.4
173.13251	10.8
175.14821	8.5
177.12756	3.4
177.16380	6.1
179.14334	30.6
181.15871	3.3
183.11748	2.4
185.13243	6.8
187.14839	11.7
189.12723	4.1
189.16417	11.8
191.14247	2.1
191.17929	6.9
193.15887	2.0
199.14824	10.3
201.16389	23.1
203.14287	7.7
203.17989	19.1
205.15912	6.3
207.13777	2.8
207.17435	8.7
211.14825	3.1
213.16426	4.5
215.17953	6.1
217.15897	25.7
217.19374	2.8
219.17377	4.4
227.17899	11.4
229.19435	4.2
235.16954	38.8
239.18013	2.4
241.19431	2.8
255.21057	3.0
263.20093	2.6
269.12576	2.0
269.22659	3.7
389.31982	6.9
407.33115	100.0
408.33630	3.4
425.34256	35.5
426.33878	2.3
443.35229	42.8
444.35712	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3522
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
51.05093	0.5
55.05495	1.4
57.07080	0.7
67.05514	2.8
69.07072	4.6
69.64372	3.8
69.64768	1.3
71.04987	0.6
76.09674	0.6
79.05483	2.2
81.07059	6.4
83.04990	1.3
83.08608	1.7
89.85687	0.5
91.05482	2.4
93.07043	6.5
95.04951	1.6
95.08606	12.3
97.06534	1.5
97.10152	0.9
105.07024	9.6
107.08598	10.0
107.46387	0.5
109.06543	1.0
109.10162	6.7
111.08082	1.0
119.08580	9.0
121.06505	1.4
121.10152	7.6
123.08069	1.4
123.11717	2.7
131.08553	2.2
133.06494	0.8
133.10130	5.8
135.08090	1.9
135.11691	6.5
137.13284	0.9
143.08556	2.2
145.10130	3.5
147.08051	1.6
147.11690	4.6
149.09627	2.2
149.13220	2.7
150.31601	0.6
155.08507	0.7
157.10124	2.7
159.08076	0.8
159.11673	2.7
161.09592	3.4
161.13210	3.0
163.11206	0.7
163.14900	2.9
169.10052	1.1
171.11653	1.6
173.09601	1.2
173.13258	2.6
175.11169	1.9
175.14810	8.8
177.16391	6.3
179.14510	0.7
183.11758	1.2
185.13286	1.5
187.11165	1.1
187.14838	2.3
189.12776	1.3
189.16347	5.9
191.18034	1.0
197.13165	1.1
199.14848	2.0
201.12785	1.1
201.16328	1.5
207.17456	1.6
211.14848	1.0
213.16380	1.7
215.14330	2.0
217.15872	6.7
219.17447	1.2
227.18010	1.3
229.15932	0.6
231.17430	16.4
235.16978	2.3
243.21056	2.3
245.19038	1.7
253.19461	1.2
255.20976	0.7
267.21069	0.7
271.20566	6.0
273.22284	1.3
285.22195	1.1
311.23853	1.0
350.41718	0.6
389.31989	1.0
407.33096	4.3
425.34103	12.0
443.35220	100.0
444.35504	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.4
55.05487	0.5
57.03429	0.5
57.07076	0.4
69.03430	3.1
69.73427	1.9
70.06580	0.5
71.04993	0.8
73.02917	1.0
79.05490	1.5
81.03429	2.4
81.07065	7.1
82.07359	0.3
83.01349	0.4
83.04994	0.5
85.02912	1.2
85.06547	5.4
86.09702	0.3
87.04482	0.4
89.06032	0.5
91.05474	1.2
93.07032	0.5
95.04961	1.5
97.02897	12.2
98.20690	0.4
99.04447	1.2
105.06998	0.5
109.02876	5.0
109.06525	7.8
113.06023	0.4
119.08637	0.4
121.10155	0.3
123.08144	0.5
125.85065	0.4
127.03921	100.0
127.07553	14.8
128.04263	0.8
137.05991	2.3
145.04965	9.4
147.04396	0.8
151.07466	0.4
153.01845	1.4
155.07031	10.0
173.08115	5.7
177.91899	0.3
181.89270	0.3
227.09151	0.4
245.10214	0.9
281.10214	1.7
281.13342	0.5
281.28006	0.4
299.11313	2.2
342.10275	0.4
383.14795	1.0
443.09818	1.7
443.17059	1.1
443.23370	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	443.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55411	0.6
54.03468	3.3
55.04243	3.3
69.03420	2.5
71.30233	1.2
81.03429	1.1
81.04549	19.9
82.05323	8.2
82.77259	0.6
85.02906	3.1
97.02899	1.5
98.97585	1.3
109.02900	1.4
122.07161	100.0
123.07944	92.4
127.03891	3.1
128.04245	1.1
153.01839	1.4
160.04283	2.8
165.07774	3.2
277.03418	1.3
281.10684	64.1
282.10956	0.8
303.01517	1.5
323.11646	0.9
443.16022	74.0
444.16394	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3519
Annotation	CHEBI:67908
Peak:m/z	Relative Intensity
55.05506	2.8
57.07068	1.9
67.05507	4.2
69.03423	1.4
69.07082	3.8
69.42608	3.0
69.43040	2.8
71.02740	0.6
79.05493	2.8
81.07059	10.1
83.04982	2.6
83.08625	2.0
87.04475	1.3
87.78745	0.6
91.05482	2.6
93.07050	6.4
95.08614	12.6
97.06525	0.8
97.10175	1.7
98.21465	0.9
99.08109	0.7
105.07043	7.7
107.08595	10.7
109.06509	1.6
109.10164	7.9
111.08122	1.6
117.07082	0.8
119.08583	10.5
121.06461	0.9
121.10146	11.6
123.08069	3.0
123.11707	3.9
125.09669	1.1
131.08582	3.3
133.10141	9.7
135.08073	3.4
135.11705	6.8
137.09660	1.2
137.13278	0.9
139.11247	0.8
143.08563	1.4
145.10133	4.6
147.11723	4.1
149.09612	9.7
149.13275	3.3
151.11148	1.3
151.89497	0.7
155.08635	0.7
157.10126	1.9
159.11697	3.8
161.09665	1.0
161.13313	3.2
163.11212	1.7
163.14864	2.6
171.11726	1.8
173.13271	3.1
175.11417	0.8
175.14833	6.2
177.12881	0.7
177.16397	4.6
185.13301	0.8
187.14893	1.7
189.16386	3.4
191.14359	1.6
191.17966	2.0
193.15858	1.1
199.14801	1.0
201.16388	3.6
203.14369	1.2
203.18004	1.3
205.15968	2.8
215.14441	1.2
215.17935	1.7
215.83130	0.8
217.19626	0.9
219.17453	2.3
233.18993	1.3
273.22195	2.7
283.20538	0.9
407.32867	3.3
425.33838	4.2
443.35181	100.0
444.36026	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.1
55.05507	5.8
55.99593	2.8
57.03444	21.7
60.35133	3.5
61.02924	5.0
69.03064	5.2
69.03428	76.9
69.72076	5.4
69.72488	13.5
69.99217	3.0
71.08621	7.1
79.50888	2.9
81.03412	6.9
81.07072	4.8
85.02908	100.0
87.04472	51.2
91.05525	3.3
95.08630	4.3
97.02270	4.3
97.02895	69.4
100.07626	4.4
100.11264	8.7
105.07024	3.4
107.08562	3.6
109.02867	7.4
110.05981	3.3
111.04409	5.8
111.17752	2.7
115.03944	72.4
123.04435	2.9
127.03925	18.8
127.07486	3.3
133.04980	81.0
145.04959	40.4
150.07600	9.8
163.06024	16.9
170.15414	16.9
182.15419	9.9
198.14896	13.0
210.14845	13.8
228.16011	4.8
245.18539	6.0
337.21240	4.2
355.22565	3.0
424.31699	11.9
442.25320	7.5
442.33063	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.2
55.05509	4.5
57.03439	15.8
59.04990	6.0
60.04537	4.7
61.02922	4.6
61.32391	3.0
67.05500	7.4
69.03431	76.6
69.07066	11.6
69.53489	12.8
69.53904	8.9
76.38074	2.9
79.05494	8.6
81.03407	6.6
81.07050	12.5
85.02909	100.0
87.04469	51.9
90.35709	3.2
91.03967	4.5
91.05499	6.6
93.07028	8.9
95.04958	3.6
95.08594	9.2
97.02898	73.2
98.97585	6.9
99.04485	5.0
103.03909	4.3
105.07027	8.7
106.03046	3.6
107.08578	9.0
109.02873	7.6
109.10137	3.9
112.03879	3.6
115.03933	84.7
119.08595	7.5
121.10120	3.7
122.10513	4.7
127.03932	28.3
131.04961	3.4
133.03981	5.8
133.04971	83.4
133.05954	5.6
135.11800	3.0
145.04959	34.5
145.86537	2.8
147.11722	3.5
149.09575	2.8
150.07663	12.2
153.01756	3.1
158.99677	5.0
163.06036	9.9
165.09114	3.0
171.33591	3.2
181.20422	3.5
187.06000	2.8
191.14392	3.4
197.13493	3.6
217.15941	3.6
259.07855	4.1
260.14725	3.5
284.64847	3.5
424.10349	4.9
442.11212	6.3
442.25507	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	442.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
57.03430	4.0
61.02926	9.4
62.39611	1.6
66.83032	1.4
69.03429	15.1
71.04989	5.7
71.60580	1.5
72.08108	1.8
73.02919	2.6
81.03427	11.8
82.06596	2.1
83.08602	5.7
85.02907	100.0
86.09694	4.4
87.04472	1.9
91.03964	5.8
91.05486	2.4
93.07016	1.8
94.32847	1.8
97.02896	25.4
99.04459	5.9
101.09687	2.6
101.83936	1.6
102.73440	1.8
103.03940	1.5
105.07014	2.6
109.02903	9.9
109.06519	1.8
124.11263	3.9
127.03921	52.3
128.04254	4.0
137.02316	3.3
139.07530	3.6
145.04959	54.8
147.04411	6.8
153.01823	10.6
154.02257	3.0
154.04994	2.2
163.03917	2.1
163.06036	15.7
174.05482	2.9
175.03915	20.6
180.02933	7.2
181.03694	4.0
193.04984	8.3
202.05051	3.2
209.11838	2.0
210.94666	1.6
217.44614	1.6
220.06052	76.2
221.06320	2.0
227.12759	2.2
234.08650	1.6
245.13808	2.3
262.10757	19.7
262.13751	1.7
262.14459	1.4
271.08414	1.7
280.11856	19.2
295.37643	1.9
306.13275	1.9
313.67245	2.0
315.01218	2.5
353.02744	2.5
382.11264	6.9
398.08658	4.5
424.10349	5.2
424.16058	5.0
442.11346	11.4
442.17151	31.9
443.18677	5.4
455.96851	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
53.37141	1.0
56.96563	1.1
61.02921	1.8
69.03436	5.8
70.04147	5.7
70.06598	10.2
72.08134	1.4
73.02912	1.5
74.90354	1.1
81.03405	3.4
81.04521	2.6
85.02907	9.9
85.45403	1.1
87.75875	1.1
95.08603	2.9
96.08143	7.2
97.02879	5.5
98.97594	9.5
99.04449	1.8
101.00842	1.7
109.02862	1.7
112.11243	2.6
116.07084	4.3
116.98624	3.8
118.08653	2.1
119.01913	3.0
122.07137	6.9
123.07893	7.4
124.11224	3.6
127.03922	36.5
127.84769	1.2
128.04276	1.9
143.00217	2.1
151.03944	1.4
153.01859	5.7
154.02144	2.0
154.12274	100.0
157.03484	2.2
158.99713	2.5
161.03004	1.3
173.73862	1.3
177.00674	1.6
179.02269	2.7
182.99750	2.0
185.02959	1.2
191.03754	1.6
191.05783	1.2
192.04626	3.7
198.98441	1.9
199.98621	1.2
201.00711	1.7
202.05945	1.4
221.03203	1.5
223.06606	3.9
231.02702	1.1
237.02873	1.6
239.04375	4.3
253.13376	1.7
259.02341	3.1
262.02469	2.2
265.07895	1.4
272.06583	4.4
277.03421	6.4
280.15640	1.5
281.05231	1.8
281.10730	4.7
299.14053	1.7
303.01346	6.2
305.22540	1.2
352.05399	2.9
424.18506	1.5
442.16391	5.7
442.21063	2.1
443.16748	6.2
446.63962	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1135
Annotation	Aristolactam IIIa N-beta-glucoside
Peak:m/z	Relative Intensity
52.49354	1.0
53.03928	1.7
55.05504	2.6
56.05036	6.2
56.96566	2.0
62.56864	1.2
65.02649	1.1
67.05472	2.4
69.07051	1.3
70.06570	4.8
71.04951	1.3
71.61076	1.5
78.33163	1.1
79.01852	2.5
79.05481	8.6
81.03413	3.0
81.07054	20.6
82.06584	2.6
84.08145	23.9
85.02893	1.5
86.09709	1.1
88.07630	12.8
94.06567	1.1
97.02910	1.8
98.09718	1.6
108.08133	1.1
110.09666	1.3
113.08375	2.6
114.09164	4.8
127.03915	2.3
127.11195	1.3
128.04341	1.5
143.03358	2.8
153.01830	27.8
153.02933	1.6
154.02139	2.6
158.48965	1.2
175.03929	1.8
193.04984	1.4
215.03464	1.4
220.06049	12.9
237.05455	1.2
262.10730	4.0
263.00681	2.3
265.00909	1.3
271.02521	1.3
279.02759	1.9
280.06091	3.2
280.11716	3.0
280.19101	2.6
283.02258	6.1
291.02890	1.3
299.01794	9.6
307.02130	1.4
308.05554	2.5
309.03961	2.8
311.01883	3.5
315.01315	5.2
323.01920	6.4
325.03244	1.3
326.02838	3.1
327.01273	3.4
329.02878	7.7
335.05032	1.5
336.01349	2.6
336.05029	18.6
337.03366	6.8
338.02945	16.0
339.01208	7.6
353.02798	5.3
360.98526	1.1
361.03406	1.4
363.05084	6.8
364.04501	75.4
366.05917	3.7
376.04340	1.3
378.05936	2.2
380.07605	1.3
382.05557	9.2
398.08350	1.3
406.09247	13.6
407.07715	3.4
424.10272	85.7
425.10376	2.3
431.11783	1.1
442.10748	100.0
443.11295	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
52.06971	2.3
53.03961	3.2
55.05513	11.6
57.03433	2.9
57.07069	5.4
58.61368	2.5
67.05502	24.1
69.03424	2.4
69.07063	16.9
69.09359	1.9
79.05499	12.0
81.07059	61.9
83.08624	9.0
87.04459	2.7
91.05482	10.7
93.07034	27.9
95.08605	100.0
96.08925	3.1
97.06517	2.4
97.10181	5.9
105.07045	25.1
107.08595	41.6
109.06521	2.4
109.10162	40.5
111.08089	4.5
117.07031	2.4
119.08589	31.1
121.06490	2.8
121.10149	33.9
123.08069	5.2
123.11705	20.8
124.52828	2.2
125.09619	3.8
131.08568	8.2
133.10124	21.6
135.08052	2.4
135.11685	24.4
137.09685	3.5
137.13258	37.6
145.10120	11.0
147.11696	18.3
149.09598	3.2
149.13260	22.1
157.10141	4.0
159.11676	15.2
161.09605	3.8
161.13245	15.1
163.11183	2.7
163.14835	17.6
171.11671	4.5
173.13263	15.2
175.14824	19.7
177.16417	6.7
179.14374	5.1
179.17931	6.2
183.11562	2.8
185.13269	2.5
187.14832	11.4
189.16391	15.3
191.17989	13.4
193.15939	4.8
199.14845	4.6
201.16344	15.0
203.17966	11.5
205.15819	4.0
205.19615	4.3
207.17424	5.5
211.14783	3.3
213.16364	4.8
215.14301	2.7
215.17979	11.1
217.19516	7.0
219.17381	4.7
229.19518	5.1
229.38904	2.9
233.19026	7.3
241.19469	2.8
243.17412	2.8
243.21146	3.8
245.18936	3.0
245.22733	3.6
255.21185	2.5
257.22699	2.8
261.18506	4.7
261.21942	2.7
271.24194	2.7
328.22214	2.2
395.36719	6.5
405.31458	8.0
423.31427	23.7
423.36490	15.4
436.72147	2.5
441.32581	33.8
441.37906	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.05515	13.4
57.03438	2.8
66.11448	2.5
67.05506	27.9
69.03436	2.7
69.07066	23.6
70.94307	3.6
71.04987	2.9
75.20337	2.7
79.05491	18.8
81.07068	45.1
83.05000	4.8
83.08627	10.8
88.91612	2.6
91.05482	22.7
93.07053	46.3
95.08614	100.0
97.10165	7.5
105.07037	41.7
107.04990	2.5
107.08601	76.4
109.06513	7.2
109.10159	49.7
111.08118	6.4
117.07024	9.5
119.08587	62.2
120.08963	3.1
121.06521	5.5
121.10160	55.3
123.08076	4.3
123.11732	20.0
125.09679	4.6
127.11172	2.6
129.07042	6.2
131.08572	20.7
133.10129	37.4
135.08023	3.1
135.11703	36.6
137.09634	2.6
137.13289	6.1
139.11174	3.5
143.08588	11.2
144.09373	3.8
144.13503	2.3
145.10118	33.2
147.08115	7.4
147.11671	29.6
149.09622	3.3
149.13239	20.8
151.11140	4.9
153.12756	3.2
157.10152	8.9
159.11719	35.9
161.13278	24.5
161.89549	3.0
163.11227	3.3
163.14851	24.0
165.12714	3.4
171.11690	14.0
173.13286	20.1
175.11194	2.7
175.14844	25.4
177.12785	5.2
177.16420	12.5
179.14333	6.4
185.13243	9.2
187.14848	20.0
189.12823	3.8
189.16393	23.6
191.14220	3.3
191.18005	15.8
193.15887	4.9
196.12477	3.3
197.13272	3.9
198.13945	3.1
199.14851	9.7
201.16397	16.3
203.14334	7.8
203.17953	17.0
205.15892	11.5
207.17456	10.4
211.14969	5.8
213.16399	6.3
215.14534	4.9
215.17931	20.8
217.15869	5.6
217.19518	9.0
219.17468	4.1
221.18971	3.2
225.16299	3.2
227.17996	4.9
229.19534	15.3
233.18988	14.9
241.19572	7.7
243.21054	10.3
247.20598	7.2
251.17986	3.9
253.19629	4.0
255.21089	8.5
257.22784	4.0
261.22278	3.8
267.69189	2.9
269.19363	2.8
269.22635	7.1
273.22076	9.0
283.24133	2.8
287.23666	4.1
371.25763	6.3
394.04907	3.2
405.35239	8.8
411.36108	3.5
423.31479	5.5
423.37061	23.0
441.32816	72.0
442.33472	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	441.3729
Annotation	12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoic acid
Peak:m/z	Relative Intensity
55.05509	11.1
57.07066	4.9
61.02980	1.9
62.35860	2.0
67.05503	22.7
69.07077	18.5
71.11063	5.8
77.93391	2.1
78.88361	2.3
79.05489	12.9
81.07061	60.2
83.08610	9.0
84.03924	2.2
85.06536	7.1
91.05496	13.2
93.07047	34.6
95.04938	2.3
95.08611	100.0
97.10162	3.6
101.10067	1.9
105.07044	28.9
107.08591	50.8
109.06510	3.3
109.10160	43.9
111.08093	6.6
111.11678	2.8
113.09612	3.7
117.07006	6.7
119.08579	45.3
121.10146	45.9
123.11697	27.8
125.09632	5.0
131.08545	9.6
133.10139	29.3
135.11705	39.8
137.13263	26.0
143.08568	4.9
145.10121	18.2
147.11694	25.0
149.09610	3.3
149.13275	29.2
151.14857	2.3
156.19986	2.3
157.10109	7.3
159.11685	22.7
161.09549	2.9
161.13278	26.5
163.11197	3.4
163.14810	20.2
165.12793	3.4
171.11670	4.3
173.13286	19.9
175.14833	26.4
177.12756	2.8
177.16431	14.2
179.17941	7.0
185.13184	3.1
186.71881	2.4
187.14841	15.5
189.16383	21.3
191.14294	6.4
191.17938	38.0
193.15877	4.1
199.14809	5.2
201.16403	18.4
203.14320	4.8
203.17958	15.9
204.97173	2.3
205.15895	6.5
205.19495	8.3
207.17445	8.1
213.16310	5.7
215.17961	25.5
217.15800	2.8
217.19456	12.6
219.17371	8.3
221.18954	2.5
227.17993	5.4
229.19574	5.7
231.17468	3.3
231.21024	3.6
233.19029	17.1
241.19542	5.0
243.17461	8.5
243.21193	4.3
253.19446	2.3
255.21132	3.0
257.22672	2.6
259.24271	2.1
261.22107	4.0
271.24173	3.8
273.22006	2.5
285.21896	2.9
287.23306	2.2
311.27222	2.2
395.32828	1.7
395.36771	15.6
397.34415	2.3
405.35437	4.1
423.36575	53.9
441.38193	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	441.3728
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
53.03937	3.4
55.05503	13.2
57.07067	4.4
67.05501	21.3
69.07077	20.9
79.05488	20.5
81.07056	56.3
83.08613	8.3
85.06545	10.2
89.06026	3.8
91.05471	16.7
93.07052	45.1
95.04990	3.6
95.08611	100.0
97.06537	5.1
97.10161	6.0
99.08096	3.0
105.07035	45.1
107.08601	72.1
109.10158	67.1
111.08092	5.5
113.09666	5.5
119.08575	64.0
121.06517	4.3
121.10148	65.3
123.11691	26.4
125.09609	7.3
131.08582	15.5
133.08615	3.3
133.10126	38.0
135.11694	54.7
137.09566	3.1
137.13271	6.3
145.10139	33.9
147.11674	36.6
149.13269	34.1
151.11189	4.6
157.10213	7.6
159.11710	34.0
161.13254	38.3
163.11147	3.6
163.14825	33.2
165.12785	4.8
171.11685	7.1
173.13297	20.2
175.14807	30.4
177.12743	4.3
177.16435	15.2
185.13248	6.1
187.14742	21.5
189.16350	28.8
191.14279	6.6
191.17957	66.0
193.15929	6.7
199.14799	5.8
201.16409	25.3
203.14287	5.0
203.17950	33.0
205.15851	7.5
205.19511	11.0
207.17462	5.2
213.16330	7.0
215.17967	26.1
217.19524	11.1
219.17455	11.3
227.17955	5.4
229.19475	7.4
231.17470	4.5
233.19052	23.3
243.21220	5.6
247.20572	5.3
257.22610	7.0
261.22162	3.5
271.24243	4.4
297.25626	4.7
361.83615	3.1
395.36899	3.7
405.35114	10.8
423.36414	73.7
441.38028	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	441.3728
Annotation	21alpha-Hydroxyonocera-8(26),14-dien-3-one
Peak:m/z	Relative Intensity
50.74630	0.9
51.64566	0.9
53.03942	1.0
55.05515	6.3
57.03439	1.3
57.07065	2.9
67.05506	14.4
69.03415	1.7
69.07071	10.1
76.16775	1.0
79.05499	8.9
81.06568	1.4
81.07059	27.8
83.04974	1.7
83.08614	4.2
85.06529	1.7
87.75092	0.9
91.05470	8.4
93.07050	21.4
95.04971	2.0
95.08605	45.2
97.06544	1.5
97.10172	2.7
98.20769	2.6
105.06370	1.7
105.07028	24.1
107.08598	30.0
109.06497	2.3
109.10152	29.4
110.28008	1.2
111.08080	2.7
117.07014	3.7
119.07775	1.9
119.08585	30.2
121.06534	1.2
121.10143	23.6
123.08066	3.8
123.11699	13.4
125.09610	4.6
129.07007	1.9
131.08578	9.0
133.10123	20.7
135.08057	3.2
135.11700	19.3
137.09627	1.5
137.13284	7.2
139.11191	1.3
143.08536	2.7
145.10121	13.3
147.08040	0.9
147.11691	15.4
149.09634	2.2
149.13249	9.1
151.11201	2.9
151.14777	1.5
153.01817	1.3
157.10167	5.2
158.10985	1.7
159.11668	13.6
161.09573	1.3
161.13278	12.0
163.11172	2.4
163.14838	8.1
165.09108	1.0
165.12729	1.6
171.11662	5.6
173.09671	1.5
173.13269	9.7
174.76697	1.0
175.11133	1.5
175.14839	15.1
177.02414	0.9
177.16388	8.3
183.11682	1.5
185.13303	5.0
187.11160	1.2
187.14847	10.6
189.16344	15.1
191.14320	3.0
191.17970	5.6
193.15797	1.5
197.13194	1.2
199.14769	5.0
201.12721	1.6
201.16362	11.3
203.14328	2.2
203.17935	7.7
205.15828	3.7
205.19223	1.0
207.17462	12.7
211.14793	2.3
213.16351	3.8
215.14291	1.3
215.17990	8.9
217.15984	1.9
217.19516	2.4
219.17419	8.2
221.19048	1.3
227.17957	3.9
229.19417	4.9
233.19028	3.1
239.17981	3.4
241.19527	3.3
243.21123	2.8
247.20712	1.2
249.18547	1.3
253.19574	1.6
255.20988	2.6
269.22629	2.2
271.20642	1.2
281.79507	1.1
297.25778	2.8
315.26678	1.6
319.22662	2.1
377.32306	1.3
385.36029	1.4
395.32877	1.8
405.30841	1.4
405.35519	2.3
423.32358	7.8
423.36386	6.6
424.32483	1.2
441.32697	13.6
441.38095	100.0
442.37570	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	441.3729
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
52.97971	3.5
53.02674	2.9
55.05512	11.7
57.07086	3.6
67.05506	23.9
69.07069	17.4
69.89751	15.5
79.05495	15.2
81.07062	54.5
83.08631	5.6
85.06541	12.1
91.05483	17.0
93.07056	47.3
95.08037	6.9
95.08614	100.0
95.09225	5.6
97.10164	9.0
105.07039	41.1
107.08602	71.8
109.06543	4.3
109.10159	62.6
111.08084	7.5
113.09657	8.7
117.07052	5.3
119.08585	53.3
121.10150	58.9
123.11702	22.0
125.09677	6.0
131.08530	11.9
133.10150	38.6
135.11708	59.0
137.13229	6.4
145.10115	25.6
147.11713	29.9
149.13290	31.5
157.10182	3.8
159.11707	31.9
161.13268	32.3
163.14819	37.7
171.11800	4.8
173.13278	21.6
175.14828	32.6
177.16411	19.3
179.14294	4.0
187.14793	16.6
189.16385	30.3
191.14310	8.5
191.17950	68.5
193.15897	7.2
199.14697	3.5
201.16425	26.3
203.17969	33.7
205.15874	7.6
205.19485	15.9
207.17453	9.5
213.16422	3.9
215.17961	26.0
217.19505	19.3
219.17503	11.0
221.18974	5.8
227.17950	4.9
229.19502	6.8
231.21031	4.8
233.19049	27.7
243.21042	8.3
247.20634	5.2
261.22159	5.7
269.22525	4.4
348.04214	3.8
360.71005	3.2
395.36719	7.6
405.35184	8.8
423.36249	95.6
424.36636	4.1
441.37338	87.8
452.21747	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	441.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.0
55.05511	4.2
57.03418	0.6
57.07078	0.7
61.61539	0.5
67.05502	8.9
69.03425	1.0
69.07065	6.6
70.77303	1.0
70.77650	0.8
71.04982	0.9
73.13882	0.6
79.05486	5.9
81.07055	12.2
83.08619	3.1
85.06541	0.7
90.46656	0.5
91.05471	5.7
93.07043	15.8
95.04962	1.6
95.08604	31.5
97.06530	4.0
97.10159	1.9
105.07030	13.2
107.07859	1.4
107.08592	26.2
109.06511	1.7
109.10159	13.5
111.08101	4.6
117.06977	1.4
119.08578	23.0
121.06524	6.1
121.10149	16.7
123.08071	19.0
123.11709	3.6
125.05962	0.7
125.09644	0.9
127.03935	0.9
129.06995	0.8
131.08556	6.9
133.10132	14.7
135.08060	3.3
135.11700	8.9
137.09608	4.9
137.13243	0.7
142.07681	0.7
143.08517	1.6
145.10127	5.9
147.08087	3.3
147.11681	14.9
149.09651	4.4
149.13263	14.5
151.07582	0.8
151.11108	0.8
153.01790	1.1
153.09123	1.8
157.10129	2.4
158.10867	0.9
159.11665	4.7
161.09630	7.5
161.13261	6.1
163.11160	3.3
163.14825	8.0
165.09137	3.7
165.12723	0.8
171.11697	1.7
173.13271	11.8
175.11198	2.0
175.14845	9.2
177.12775	1.1
177.16383	9.2
179.10669	0.9
185.13289	1.1
187.14839	8.6
189.12762	7.7
189.16377	14.7
189.38216	0.7
191.14307	100.0
191.17839	4.8
192.14610	2.2
193.15948	1.3
199.14801	1.8
201.16388	3.2
203.10640	0.6
203.14299	2.1
203.17969	14.1
205.12291	0.7
205.15913	3.5
205.19528	2.1
207.17447	0.8
209.44002	0.6
213.16281	1.5
215.14348	1.1
215.17998	1.3
217.15837	1.9
217.19490	1.7
219.17439	1.6
221.18938	0.8
229.15868	0.7
229.19591	1.4
231.17369	1.8
231.21094	1.1
235.16898	1.0
239.18008	1.0
241.19383	0.7
245.18971	0.7
247.20457	1.0
249.18513	1.2
281.22672	2.0
283.20844	0.5
299.23666	5.9
301.21506	0.7
325.25128	1.4
367.22900	0.7
377.32004	6.5
395.33109	32.2
396.33527	0.7
405.31982	0.8
423.32498	3.7
441.24777	3.0
441.33737	6.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3364
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
52.04736	4.0
54.11105	4.1
55.05514	12.9
57.07082	5.2
62.47512	4.3
67.05516	25.9
69.07059	27.8
70.78472	5.2
70.78806	10.8
79.05491	30.7
81.07056	65.7
83.08609	13.4
91.05470	25.7
93.07053	55.7
95.08614	73.7
96.06453	4.3
97.10148	6.0
105.07028	68.4
107.08594	100.0
107.53926	5.2
109.06534	8.8
109.10162	43.0
117.07018	11.9
119.08588	94.3
121.10139	58.4
123.08122	10.6
123.11713	13.7
129.06990	8.2
130.07767	5.7
131.08571	45.8
133.10130	54.1
135.11705	20.9
137.09666	7.4
142.07791	9.6
143.08574	25.3
145.10143	69.0
147.11711	35.7
149.09508	5.4
149.13252	66.5
155.08568	11.0
156.09363	7.8
157.10098	31.5
159.11720	32.9
161.09657	9.4
161.13284	27.6
163.14822	72.6
167.08684	6.6
169.10065	7.7
170.10840	12.7
171.11716	19.1
172.12500	4.5
173.13286	30.3
175.11281	8.8
175.14833	58.6
177.16382	80.6
183.11681	6.5
185.13292	25.5
187.14825	86.0
189.12781	5.4
189.16383	48.9
191.14275	21.9
191.17944	24.7
193.15901	16.9
197.13335	10.6
199.14819	11.4
201.16382	26.6
203.14342	23.6
203.17989	31.0
205.15877	13.6
207.17511	5.0
209.13437	5.3
211.14824	8.5
213.16449	20.7
215.14339	12.9
215.17999	15.2
217.15817	5.0
217.19511	4.6
219.17500	7.2
221.15370	5.3
227.17900	5.4
231.17506	15.5
241.19394	5.5
245.15527	9.1
247.16959	8.3
249.18584	23.2
251.16428	10.7
263.16284	8.2
267.19580	12.3
347.27350	5.9
377.31995	6.9
387.30106	5.5
395.33154	17.7
405.31485	25.4
423.32455	36.7
441.33618	83.8
465.66815	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	441.3364
Annotation	Larreagenin A
Peak:m/z	Relative Intensity
51.01336	1.1
52.08873	1.0
55.05506	5.2
57.07084	2.2
59.05004	1.4
66.48042	1.0
67.05513	7.1
69.07057	6.4
69.54736	1.0
71.62566	1.7
76.26500	1.2
79.05494	9.0
81.06631	1.5
81.07056	17.2
83.04986	1.7
83.08591	2.1
85.06528	2.0
87.17521	1.1
91.05476	7.7
91.19781	1.0
93.07041	16.3
93.74580	1.0
95.04937	1.4
95.08607	22.7
97.02870	1.8
97.06496	3.2
97.10167	1.4
105.07032	17.5
107.08591	24.0
109.06573	2.1
109.10159	11.4
111.11738	1.4
113.09602	1.3
117.06959	1.6
119.08585	28.1
121.06516	2.8
121.09380	1.6
121.10129	11.4
123.08075	2.6
123.11702	6.2
125.06001	8.9
125.09629	2.5
129.06987	1.5
131.08556	12.4
133.10132	28.1
135.08022	2.7
135.11699	27.9
137.09549	1.3
143.08549	3.3
145.06462	1.3
145.10106	10.0
147.08035	3.9
147.11674	15.7
149.13258	8.5
151.07602	1.1
153.01868	1.3
153.09093	3.2
155.08626	1.1
157.10135	4.6
157.25110	1.3
158.10916	1.1
159.08046	4.7
159.11671	8.7
161.09625	14.5
161.13275	8.1
163.14796	6.8
165.09192	1.3
167.10703	2.5
169.10118	2.1
171.11664	5.2
173.09619	4.2
173.13266	15.6
175.11185	1.4
175.14827	5.9
177.09108	2.0
177.12759	2.0
177.16409	2.3
179.14409	1.3
183.11713	2.7
185.13225	4.0
187.11160	2.3
187.14824	4.8
189.16379	41.3
191.14288	4.6
191.17940	4.0
197.13248	4.8
199.11064	1.4
199.14865	2.1
201.12746	23.6
201.16226	1.2
203.14203	2.0
203.17892	2.4
205.15953	1.2
205.19601	1.3
207.17435	82.2
209.13292	1.3
209.15263	2.2
213.16408	1.4
215.14316	57.8
217.15935	9.2
219.13792	35.7
219.17200	1.6
223.14859	1.1
226.42940	1.3
229.15829	2.6
231.17400	1.4
233.15370	27.3
235.16945	1.3
236.36116	1.2
243.17410	2.2
269.18994	3.6
283.20673	2.0
357.66437	1.2
371.20392	1.2
405.31363	3.4
423.32507	27.3
441.33566	100.0
442.33945	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	441.137
Annotation	Ginkgolide C
Peak:m/z	Relative Intensity
51.28040	0.5
61.85825	0.5
63.97220	0.5
69.03419	0.6
69.07105	0.7
71.60854	0.7
71.61301	0.6
79.01855	1.0
79.44246	0.5
81.03422	1.3
81.07027	1.2
84.08133	1.0
85.02921	0.6
88.07619	0.7
96.01845	0.6
97.02900	0.8
109.02907	0.6
113.02115	0.7
124.11258	0.5
127.03921	6.7
133.38181	0.5
153.01826	9.2
153.02963	1.0
185.04167	0.9
217.08658	0.8
220.06226	0.7
220.74428	0.5
233.00922	0.5
243.34064	0.5
255.70087	0.5
259.08133	0.5
266.08154	0.5
279.08383	0.8
299.01865	0.7
338.02982	0.6
364.04529	3.6
382.05511	0.9
424.10495	2.4
441.13660	100.0
442.10675	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	441.3365
Annotation	Pfaffic acid
Peak:m/z	Relative Intensity
55.05501	9.8
55.09599	2.5
56.03651	2.1
57.07059	2.4
65.04577	2.1
67.05474	7.5
69.07079	14.5
69.42558	3.8
69.42951	18.2
71.66092	2.6
79.05486	10.4
81.07065	22.6
83.08630	5.7
91.05458	15.1
93.07049	27.4
95.08606	46.5
97.10168	4.3
105.07031	31.6
107.08596	46.3
109.10155	19.5
111.08067	4.1
117.07017	4.7
119.08585	53.9
121.10128	31.0
123.11699	5.0
131.08553	13.4
133.10132	43.8
135.08051	3.4
135.11699	17.3
137.13206	2.6
138.58522	2.3
143.08549	4.5
145.10114	24.7
147.11688	26.0
149.13263	14.1
153.09132	3.9
155.08466	3.9
157.10132	8.5
159.11696	24.7
161.13219	13.3
163.14775	22.8
169.10081	3.2
171.11659	5.8
173.13264	17.2
175.14809	28.5
177.09109	5.3
177.12701	5.5
177.16405	9.6
179.14319	5.2
183.11723	3.5
185.13246	8.3
187.14824	20.4
189.16415	47.8
191.14276	3.1
191.17915	4.2
193.15866	2.9
199.14790	7.0
201.12712	7.9
201.16370	28.0
203.14354	7.2
203.17950	11.1
207.17451	8.1
213.16478	3.0
215.17995	15.5
217.15968	4.3
217.19556	2.7
219.13789	8.7
227.17917	7.0
229.15903	4.7
229.19606	20.5
241.19514	5.4
247.16969	20.5
250.17380	2.3
257.18942	3.0
261.18539	10.9
275.20071	5.7
287.20087	5.5
299.19894	2.9
327.23087	3.4
371.25757	7.8
377.31958	8.8
395.33206	11.5
405.31454	8.9
408.30154	5.8
423.32474	36.5
441.33582	100.0
442.34235	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	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40259	1.0
65.91557	0.9
69.03424	1.9
71.04991	31.7
71.61763	1.5
73.00514	0.9
79.05497	1.1
81.03422	1.5
85.02892	4.0
89.06028	29.1
97.02908	6.1
98.06062	1.4
99.04440	1.5
107.05013	1.1
109.02843	2.5
121.02854	1.8
124.27333	1.2
127.03905	3.1
127.11195	100.0
135.06541	4.7
145.04970	2.1
145.12238	33.7
158.11784	8.1
163.07584	2.0
167.07024	10.3
193.08507	1.7
355.15311	1.8
405.18832	1.3
440.18991	2.1
441.21149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75453	4.4
55.01855	5.6
55.05491	18.9
57.03434	26.8
67.05494	16.3
69.03432	89.7
69.06754	5.9
69.07067	63.2
69.35161	11.0
69.35577	35.8
70.06571	5.0
81.03417	11.3
81.07059	11.1
81.49572	5.2
85.02901	100.0
87.04465	56.3
87.32094	5.7
91.05476	7.8
92.81358	4.9
93.07021	13.4
94.06566	5.8
95.08615	8.0
97.02890	83.8
98.97569	9.2
99.04472	5.7
105.07060	5.3
109.02842	7.9
109.10137	7.2
111.11703	30.8
115.03938	95.4
124.11244	6.6
127.03930	25.3
133.04968	96.8
140.10716	9.1
145.04927	26.9
150.07611	17.9
160.74048	6.0
163.05989	16.2
167.07077	6.2
178.01584	5.2
185.13240	4.8
211.25714	6.0
223.05678	5.6
305.67310	5.3
309.84985	4.9
367.10672	6.4
376.54211	5.6
403.23404	5.8
413.38391	4.8
440.23672	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03933	0.9
69.03420	2.0
71.09565	1.0
78.94784	0.5
79.01839	3.0
81.03416	6.6
85.02896	1.2
97.02905	3.4
99.04485	0.6
102.59164	0.5
107.01294	1.0
109.02889	4.0
125.02364	2.1
127.03920	100.0
143.03419	4.4
143.45660	0.5
145.04977	0.6
153.01836	63.1
153.02911	4.0
154.02194	0.9
157.47224	0.5
171.02872	5.3
175.14323	0.5
297.06067	6.1
315.07034	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.36594	1.2
60.08828	1.1
68.68016	1.2
69.03426	4.5
69.07064	1.4
69.39697	2.8
69.40096	10.4
71.40310	1.1
76.82819	1.2
79.01864	2.2
81.03426	6.0
85.02888	5.4
91.05483	10.2
92.23651	1.2
95.01331	1.4
97.02895	3.8
98.97581	1.6
100.11240	2.0
107.01315	1.8
109.02888	6.3
124.11233	4.6
125.02386	3.8
127.03938	8.7
143.03395	4.1
145.04933	1.6
151.88019	1.3
153.01837	100.0
153.02908	4.4
171.02887	9.5
241.92905	1.3
280.87180	1.3
297.06168	8.1
315.07138	13.7
440.30469	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3574
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05512	5.6
57.03439	14.6
57.07070	5.2
67.05511	15.6
69.07075	21.5
69.60835	20.9
77.29607	3.1
79.05497	12.8
81.07059	43.9
83.04971	3.4
83.08603	8.7
87.04456	6.9
91.05469	17.4
93.07048	41.5
95.04995	4.9
95.08610	56.1
97.10162	7.0
105.07034	31.5
107.08601	55.7
109.10164	35.1
111.08140	3.3
117.07047	7.4
119.08581	41.1
121.10148	59.9
123.08100	4.3
123.11705	13.6
125.09624	3.3
131.08542	17.8
133.10129	29.8
135.08063	3.7
135.11717	17.9
137.09625	3.3
137.13292	5.1
143.08553	10.8
145.10106	17.4
147.11693	22.7
149.09564	4.7
149.13269	58.6
151.11131	3.3
151.14857	4.4
156.09428	3.2
157.10175	9.7
158.10973	3.2
159.11719	16.5
161.09746	4.9
161.13316	15.8
163.14821	26.9
165.12769	68.1
169.10223	4.6
170.01880	3.0
171.11678	9.2
173.13264	23.4
175.14847	22.7
177.16400	51.6
179.14442	3.0
183.11687	4.7
185.13258	12.8
187.14854	20.2
189.16405	22.0
191.17950	7.6
199.14841	12.1
201.16354	13.5
203.17995	8.8
211.14778	3.7
212.58647	3.4
213.16406	9.0
215.17957	8.3
217.15979	4.2
217.19427	7.5
225.16443	8.8
227.17946	7.9
235.16875	6.8
239.17874	4.4
241.19560	7.3
243.17473	7.3
243.21141	3.4
259.20560	5.8
261.18472	14.7
263.20029	7.4
271.24130	3.8
275.20078	4.1
277.21579	8.1
279.21234	5.9
287.23843	4.1
301.21555	3.3
311.27402	10.6
353.32184	6.0
363.30423	3.8
403.33621	16.6
421.34973	34.1
430.95615	3.0
439.36072	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	9.8
57.07070	4.0
62.37348	1.7
65.03924	1.6
66.09853	1.6
67.05513	11.7
68.71726	1.5
69.07069	14.8
70.75875	1.6
79.05490	9.6
81.07063	22.6
83.08606	7.4
86.64588	1.6
88.09000	1.6
91.05479	9.5
93.07050	22.5
95.08608	56.0
96.02892	1.6
97.10159	4.3
98.21554	2.5
102.10077	1.6
105.07040	22.2
107.08601	38.2
109.10152	35.8
111.08080	2.3
117.68609	1.8
119.08580	45.3
121.10143	39.0
123.11698	14.2
131.08580	3.1
133.10136	36.3
135.11697	26.4
137.13243	6.4
139.07484	1.9
144.51602	1.9
145.10112	6.4
147.11696	30.9
149.13257	16.9
153.09099	8.2
157.10118	2.2
159.11676	6.0
161.13281	18.3
163.14847	18.0
167.10739	3.8
173.13194	2.9
174.14058	1.6
175.14810	15.3
177.16396	10.5
187.14745	2.1
188.82919	1.6
189.16380	48.3
191.17950	75.2
192.18379	3.2
192.90999	1.6
201.16360	10.1
203.17961	100.0
205.19545	18.4
215.18001	4.8
217.19504	13.6
221.19019	7.1
229.19414	2.8
231.17427	4.3
231.21091	4.8
235.16907	4.8
245.22676	2.1
247.16960	3.1
249.18570	19.4
257.22614	2.1
261.18393	1.9
321.38602	1.8
393.35101	7.5
421.34726	2.1
439.35751	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61320	1.1
55.05507	7.9
57.07081	7.4
67.05505	21.8
69.07065	14.8
70.18905	4.9
71.08636	1.8
79.05502	5.8
81.07057	72.9
82.92926	1.3
83.08622	8.0
91.05499	3.9
93.07044	11.4
93.17667	1.7
95.08607	100.0
96.10299	1.2
97.10158	4.4
105.07036	10.9
107.08591	12.2
109.10157	37.7
111.11709	2.5
117.07036	2.0
119.08577	11.4
121.10168	9.6
123.11703	37.9
129.06961	1.6
129.54497	1.1
131.08569	7.8
133.10136	6.5
135.11720	6.8
137.13252	58.9
138.13625	1.2
139.39311	1.3
143.08543	4.0
145.10129	8.1
147.11673	5.1
149.13290	5.7
151.14827	5.4
157.10187	5.7
159.11713	4.3
161.13222	2.2
163.14870	2.3
171.11740	8.5
173.13275	7.1
175.14812	6.1
177.16519	2.4
179.17967	11.6
185.13248	6.9
187.14798	5.8
189.16389	4.6
191.17966	1.8
193.19215	1.2
199.14854	7.3
201.16425	6.0
203.18001	2.7
213.16362	13.0
215.17946	8.9
217.12277	1.7
219.13885	1.4
227.17914	4.7
229.19547	1.6
241.19536	7.4
243.21109	7.0
245.15440	2.4
248.79942	1.1
254.70683	1.3
255.05164	1.3
255.21045	6.0
257.22803	1.3
259.16937	9.4
261.18588	1.4
269.22574	6.9
287.20074	3.9
289.21515	1.9
301.21692	1.3
315.23187	1.6
393.35193	21.7
421.34900	1.4
439.35797	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	439.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	16.0
57.07069	8.4
67.05505	20.4
69.07073	20.6
70.19360	4.3
70.19754	4.0
77.24705	1.9
79.05486	11.5
81.07062	47.4
83.08634	14.5
89.06083	2.6
91.05461	10.2
93.07045	29.7
95.08610	79.3
96.45062	2.1
97.10159	6.6
98.21529	2.3
105.07034	28.5
107.08595	52.7
109.10157	48.4
110.11023	1.9
111.11665	2.8
112.83773	1.8
113.25518	1.9
116.10885	2.0
117.07006	3.4
119.08585	61.8
121.10149	40.1
123.11710	32.0
131.08583	5.9
133.10143	37.9
135.11691	33.8
137.13263	23.7
139.07587	3.1
143.08553	2.0
145.10130	15.2
147.11691	36.7
149.13269	27.2
153.09085	5.5
157.10133	3.9
159.11731	7.8
160.12532	3.6
161.13275	25.1
163.14822	17.4
167.10724	2.7
171.11754	2.3
173.13292	8.0
175.14870	17.7
177.16393	10.0
179.17970	5.1
185.13341	2.7
187.14844	7.6
189.16383	77.4
191.17963	72.0
199.14973	3.1
201.16365	32.0
203.17969	100.0
205.19539	33.3
207.17462	4.9
213.16431	4.0
215.18068	14.8
217.16008	2.6
217.19505	18.8
221.19008	2.8
229.19588	2.4
231.21133	4.3
235.16966	10.9
243.21170	2.8
245.22723	3.6
247.16925	8.9
249.18495	10.2
253.31030	1.8
255.21124	3.4
257.22672	3.8
259.16983	5.0
261.18597	9.8
319.68869	2.4
330.09213	1.9
393.35132	16.4
439.35867	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	439.3572
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
55.05507	11.5
57.03442	2.5
57.07070	2.8
57.44434	1.9
65.03947	3.0
67.05213	2.3
67.05507	24.9
69.03410	2.9
69.07079	28.5
70.73159	4.6
77.15176	1.8
79.05493	18.0
81.07061	56.4
83.08620	12.6
91.05483	24.8
92.87581	1.8
93.07048	48.5
95.04948	4.5
95.08611	67.2
97.10169	6.2
97.69445	2.1
103.05481	2.2
105.07031	37.7
107.08598	70.8
109.06525	4.4
109.10157	34.5
111.08059	3.7
117.07039	4.3
119.08583	47.2
121.06512	2.1
121.10146	62.8
123.08028	5.0
123.11703	17.8
125.09589	2.9
128.06259	2.2
129.06934	4.9
131.08575	18.9
133.10124	38.0
135.08075	3.1
135.11685	24.4
137.09654	3.9
137.13260	5.1
139.11209	2.7
142.07794	3.1
143.08557	9.6
145.10127	33.8
147.10838	2.1
147.11710	25.9
149.09619	4.5
149.13260	39.6
151.11208	2.6
155.08545	6.1
156.09346	4.1
157.10117	21.1
158.10809	2.2
159.11696	30.0
161.09590	2.3
161.13254	25.7
163.11134	3.8
163.14833	28.3
165.12759	6.5
169.10144	7.8
171.11707	22.7
172.12399	2.6
173.13268	23.7
175.11229	2.7
175.14822	20.4
177.12833	3.4
177.16368	31.4
179.14301	2.7
183.11633	11.2
185.13232	15.7
186.13654	2.1
187.14845	23.0
189.12721	5.9
189.16348	17.8
191.14243	3.8
191.17970	7.3
195.11649	4.8
197.13264	11.5
199.14809	12.3
199.17874	2.1
201.12691	2.7
201.16403	17.6
203.14304	7.0
203.17999	7.8
205.15945	4.9
209.13266	4.9
211.14787	5.1
213.16356	11.0
214.16812	2.5
215.17944	15.9
217.15822	4.4
217.19460	3.3
219.17416	2.7
223.14804	5.2
225.16379	7.1
227.17952	16.5
229.15892	2.6
229.19510	8.0
231.17477	5.0
233.18988	2.8
239.18024	10.8
241.19550	16.9
243.17480	2.7
243.20926	4.5
245.19093	4.4
253.19513	6.0
255.21077	5.3
257.19019	2.9
259.20496	13.4
263.20142	3.2
265.19501	7.5
267.21054	7.3
269.19003	2.1
269.22647	8.8
275.20108	3.9
277.21686	19.0
281.22577	5.0
283.20447	7.0
283.24054	2.9
285.22266	3.2
285.25702	3.9
293.22479	4.2
295.24237	3.1
301.21576	9.9
307.24365	3.0
311.27124	2.9
329.24591	2.7
333.25610	4.3
347.27332	3.8
354.04950	2.3
375.30432	3.2
383.29288	4.2
393.31454	6.3
403.33725	29.0
421.34811	75.9
439.36276	100.0
440.36221	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
53.07274	1.8
55.01854	2.3
55.05505	8.4
57.07081	2.9
67.05505	21.6
69.03411	7.0
69.07080	13.6
69.69630	11.9
73.19791	2.2
79.05495	21.6
81.03452	10.9
81.07059	49.1
83.04975	2.6
83.08611	5.5
91.05479	25.9
93.07050	46.6
95.04968	5.7
95.08608	71.6
97.06540	2.6
97.10170	3.6
100.73647	2.0
103.05466	2.2
105.07037	47.9
107.08600	61.8
109.06510	5.7
109.10165	35.2
111.08073	7.3
117.06986	9.7
119.08588	78.5
121.06474	3.4
121.09296	3.1
121.10146	40.5
123.08080	5.7
123.11717	9.3
125.09583	2.6
129.07002	5.0
130.07829	3.2
131.08569	31.2
131.14484	2.1
133.10129	39.5
135.08057	5.2
135.11700	23.0
137.09608	5.9
142.07779	3.6
143.08592	12.0
144.09268	3.1
145.10132	46.3
147.08012	3.1
147.11700	22.9
149.09604	3.4
149.13283	14.7
155.08586	2.3
156.09357	4.5
157.10146	14.1
158.10902	3.2
159.11722	36.9
161.09596	3.5
161.13257	24.6
163.07564	2.9
163.11153	2.3
163.14839	13.8
165.12819	3.1
169.10104	3.3
171.11664	11.0
172.12488	4.5
173.13248	20.1
175.11186	3.7
175.14868	17.9
177.12810	2.4
177.16389	21.4
179.10838	2.1
179.14291	3.2
183.11710	2.6
185.13228	17.2
187.14844	42.8
189.12753	9.0
189.16382	29.3
191.14322	20.0
191.17979	8.5
195.11702	2.9
197.13228	3.4
199.14803	11.5
201.12775	3.8
201.16402	27.2
203.14349	12.0
203.17932	24.9
205.15884	14.1
207.17514	2.1
211.14903	2.7
213.16386	10.4
215.17967	16.1
217.15877	6.6
219.17403	2.4
223.14871	3.1
225.16483	3.2
227.17952	5.5
229.15962	3.8
229.19441	5.0
231.17430	6.0
235.16954	5.2
237.16338	2.2
241.19597	4.1
247.16913	13.4
249.18521	4.3
255.20987	2.2
259.16916	2.8
261.18542	6.2
269.22604	2.5
279.21252	3.5
293.22348	2.0
297.22153	9.2
357.27908	2.8
375.30438	10.9
393.31552	42.6
403.29883	2.5
421.31067	16.5
439.32065	100.0
440.32251	6.0
460.39474	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.9
53.80696	1.7
55.05515	13.1
56.96555	1.8
57.03418	1.9
57.07066	2.4
61.02934	2.5
65.03942	2.2
67.05171	2.3
67.05508	34.3
69.03419	8.3
69.07073	18.2
70.39561	7.0
71.04974	1.9
79.05492	27.0
81.03405	3.6
81.07063	62.0
83.04979	3.1
83.08629	10.2
85.02911	3.3
85.06536	3.3
91.05477	37.0
93.06453	3.2
93.07048	53.0
95.04951	6.6
95.08611	77.3
95.09228	3.7
97.06520	4.2
97.10155	4.8
105.07034	75.4
107.08600	79.9
109.06515	4.7
109.10161	49.9
111.08060	7.3
117.07022	19.2
119.08585	100.0
121.06499	4.2
121.10150	53.3
123.08070	5.2
123.11703	12.3
125.09660	3.5
128.06241	3.4
129.07001	8.9
130.07768	3.3
131.08572	44.7
133.10129	55.1
135.08052	10.0
135.11714	24.8
137.09613	5.4
137.13275	2.8
139.07568	2.1
142.07762	2.2
143.08562	20.3
144.09341	5.2
145.10127	79.0
146.10666	1.8
147.08041	6.0
147.11707	31.3
149.02385	2.3
149.09625	8.0
149.13271	19.4
153.09123	4.7
155.08571	7.3
156.09364	2.4
157.10141	19.6
158.10925	6.7
159.08139	2.9
159.11699	47.7
161.09590	12.0
161.13255	35.3
163.07559	2.3
163.11198	4.3
163.14813	17.1
169.10158	5.0
171.11685	11.5
172.12454	6.4
173.09656	2.4
173.13249	27.3
175.11163	4.0
175.14835	26.4
177.09111	5.4
177.12794	10.8
177.16425	22.7
179.14372	2.2
183.11667	7.0
185.13272	16.6
186.29773	2.1
187.14827	93.5
187.55045	2.1
189.12794	12.5
189.16386	48.1
191.14311	28.5
191.17981	16.8
193.05002	3.0
193.12274	2.6
193.15820	2.7
195.11600	3.1
197.13182	4.0
199.14828	16.9
201.12848	4.8
201.16406	39.9
203.14322	17.7
203.17976	21.8
205.15875	42.5
205.19333	2.0
207.17479	2.7
213.16376	18.4
215.14360	7.3
215.17937	19.0
217.15860	8.6
217.19485	4.9
219.17366	7.4
221.18924	2.1
225.16331	3.4
227.17937	7.7
229.15933	4.7
229.19611	3.7
231.17450	6.3
235.16907	20.1
237.16493	2.6
239.17857	3.3
241.19543	8.7
243.21062	2.8
246.05717	2.0
247.16925	17.3
249.18471	2.8
255.17305	2.7
255.21049	5.7
257.22928	2.5
261.18539	5.1
265.17755	3.1
267.21002	4.3
269.10617	3.6
279.21017	2.5
297.22147	8.2
305.22623	2.2
316.62167	2.9
375.30417	9.7
393.31509	70.0
394.31592	2.8
395.33340	3.6
421.30475	16.4
439.26376	4.0
439.31937	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.0
55.01881	3.1
55.05518	25.1
56.96556	8.6
57.03442	3.3
57.07071	5.2
61.02921	7.0
65.03937	5.2
67.05508	62.1
67.22462	2.4
68.20258	2.8
69.03440	18.0
69.07071	27.3
71.04983	3.4
71.61134	3.5
78.00197	2.9
79.05502	34.6
81.03423	25.9
81.07058	73.2
82.07394	3.6
83.04965	11.4
83.08631	20.7
84.95994	2.6
85.02911	16.5
85.06529	3.6
85.34224	2.5
87.47475	2.6
91.03927	4.6
91.05486	46.3
93.07050	71.4
93.51068	3.3
95.04994	14.4
95.05483	2.7
95.08610	100.0
97.02900	8.7
97.06551	5.0
97.10164	6.7
98.97606	5.0
103.05465	3.9
105.07034	70.0
106.07384	2.9
106.98602	2.9
107.04993	4.3
107.08602	76.7
109.02873	3.2
109.06515	11.7
109.10160	68.8
110.09657	3.1
111.04440	3.2
111.08098	13.4
115.05482	4.7
116.98618	3.3
117.07017	14.5
119.08591	99.7
121.06495	8.0
121.10142	50.9
123.08057	8.8
123.11667	14.3
125.05982	3.6
127.03897	3.6
129.07018	8.2
130.07843	3.9
131.08563	44.5
133.10138	61.7
135.08064	10.0
135.11700	25.2
137.06026	6.5
137.09633	7.3
137.13228	4.3
141.07005	4.2
143.08562	16.0
144.09383	4.1
145.10138	61.9
147.08072	6.7
147.11694	45.1
149.02281	4.7
149.09697	7.3
149.13237	20.7
151.07579	4.9
151.11188	5.3
153.09151	5.6
156.09355	3.9
157.10133	24.6
158.10887	3.4
159.08078	3.8
159.11700	44.9
161.09665	8.7
161.13290	33.6
163.11224	6.5
163.14801	16.9
165.09140	4.4
167.10646	3.9
169.10114	5.4
170.10902	4.2
171.11728	13.7
172.12555	3.2
173.11841	4.5
173.13242	25.8
175.11226	10.0
175.14832	22.0
175.95671	2.9
177.09143	3.7
177.12827	7.0
177.16353	16.2
183.06636	2.9
183.11737	6.8
185.13234	21.4
187.11234	3.8
187.13316	5.0
187.14842	49.5
187.16414	5.0
189.12733	20.0
189.16396	40.3
190.13605	3.8
191.14322	34.9
191.17981	9.9
193.12244	13.5
195.11639	2.7
196.12494	3.1
197.13322	7.7
199.14841	12.2
201.12744	5.5
201.16417	26.4
203.14268	17.0
203.17946	49.8
205.15947	15.3
205.19582	5.9
211.13289	10.5
211.15015	4.2
213.16418	8.6
215.14348	4.3
215.17996	20.3
217.15907	11.2
217.19522	3.0
219.17548	3.3
227.17868	3.8
229.15900	4.5
229.19513	7.3
235.16925	7.4
239.17969	3.7
241.19478	5.5
243.09048	3.7
245.19116	3.4
247.16978	15.3
249.18559	10.3
253.06569	2.7
255.09073	11.8
255.21121	3.7
256.09607	3.3
261.18576	6.1
267.09045	12.9
267.16031	3.3
269.10428	3.4
273.09995	4.4
277.21582	3.9
278.83533	2.7
279.21039	3.4
285.10248	17.4
297.22205	10.7
309.11084	11.0
315.10947	6.0
324.11450	10.8
375.30688	13.9
393.31516	59.9
414.17395	6.0
414.67346	4.4
421.30991	20.9
439.22250	5.3
439.26932	11.1
439.32153	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
55.05496	1.3
57.03433	0.7
59.04976	0.6
59.88391	0.5
64.09943	0.9
67.05511	1.2
69.03434	1.8
69.07081	0.9
69.32757	5.0
69.33170	1.3
70.06590	1.0
71.04996	1.3
79.05507	1.4
81.03428	0.9
81.07056	2.6
83.04999	0.9
84.04507	1.0
85.02903	1.3
85.06555	0.9
91.05476	4.0
93.07058	3.3
95.08589	3.5
97.02856	1.2
98.20762	1.3
98.97604	0.7
99.04476	0.6
99.94122	0.6
103.05463	1.6
103.07603	1.2
105.07028	3.9
107.04992	2.2
107.08591	3.0
109.02892	1.3
109.10158	1.3
110.07187	1.1
113.02126	0.7
115.05456	0.9
117.07043	0.9
118.06564	3.8
119.04969	0.8
119.08565	3.8
120.08118	4.2
121.06490	1.0
121.10161	2.2
127.03908	1.9
127.11166	0.8
130.04999	0.7
131.04933	1.0
131.08569	2.1
133.10159	3.3
135.11653	0.7
141.50999	0.6
142.06577	0.8
143.08574	1.4
145.10167	2.3
146.06085	0.7
147.04414	2.2
147.11659	0.9
149.13242	0.9
157.09967	0.7
159.11766	1.2
160.07582	0.8
161.09612	1.5
161.13301	0.9
163.07587	0.8
165.09026	0.9
173.13312	1.5
175.14813	1.0
185.13177	1.0
187.14914	2.2
189.12758	1.0
189.16348	1.9
191.14278	0.7
199.14848	1.6
201.12886	0.7
201.16414	1.4
203.05264	1.7
203.14220	0.9
220.11153	3.6
232.09750	0.8
241.69081	0.7
259.16791	2.4
261.18198	1.5
263.16391	0.8
265.13480	1.5
277.14160	2.3
277.17542	1.2
287.05612	0.7
292.13062	1.5
336.39191	0.7
369.18842	5.7
377.15009	1.6
393.31635	2.1
394.17746	3.0
439.23154	100.0
440.23352	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	439.2305
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
55.05511	0.9
56.07101	0.4
61.69334	0.4
67.05508	1.7
69.03436	1.0
69.07068	0.9
72.17211	0.4
75.00033	0.4
79.05489	1.2
81.03403	0.5
81.07066	2.9
83.08607	0.4
85.02926	0.6
91.05495	2.1
93.07060	2.5
95.01106	0.5
95.08608	3.3
96.01883	0.7
99.08117	0.9
105.07042	3.3
107.08598	4.3
109.02857	0.6
109.06526	0.8
109.10171	1.6
113.02106	0.6
117.07073	0.8
119.04934	0.4
119.08592	5.6
121.06528	1.2
121.10135	2.7
123.08060	1.3
125.02092	0.5
127.03806	0.5
131.08525	3.0
133.10143	6.4
135.08083	0.5
135.11700	1.3
137.09624	1.6
143.08589	0.8
145.10127	5.2
147.04417	0.5
147.08072	0.6
147.11705	2.0
149.09596	0.7
149.13281	1.1
157.10133	1.1
159.11708	3.4
161.09680	1.4
161.13348	0.9
162.54453	0.5
163.14810	0.7
168.60616	0.4
169.04765	0.7
171.11765	0.8
173.13286	3.6
175.14882	2.0
177.16386	0.7
185.13280	0.8
187.14828	5.5
189.12793	1.0
189.16391	2.3
191.14378	2.9
199.14885	1.8
201.03752	0.5
201.16385	2.5
202.50810	0.4
203.05264	3.3
203.14418	0.8
203.17862	0.7
205.15982	0.7
219.17429	0.7
229.19638	0.5
233.15396	0.5
251.17870	0.4
259.16650	2.6
277.14304	0.9
277.17807	2.2
369.18832	6.0
393.31525	2.8
439.23096	100.0
439.31567	3.5
440.23389	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	439.1579
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
53.03947	0.7
67.05531	0.7
70.06602	0.8
71.52611	0.9
85.02895	0.8
86.09705	0.8
91.05478	1.4
93.07047	0.6
95.04980	5.4
95.08620	0.7
97.02868	0.6
119.08602	0.6
120.08123	0.7
123.04440	6.0
127.03941	1.4
134.80852	0.5
140.04712	1.5
151.03946	2.1
153.01782	1.1
155.07051	3.9
167.07103	1.7
183.06543	8.9
192.49911	0.6
225.07681	1.2
231.03030	0.8
258.20966	0.7
259.02451	1.3
277.03458	6.4
277.19147	0.6
293.10144	2.3
344.78433	0.6
439.16010	100.0
440.16238	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	439.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55865	0.7
53.88905	0.7
55.01855	0.8
56.96539	1.6
58.78406	0.7
58.93349	0.6
61.02886	0.9
68.20870	0.7
69.03373	2.5
69.76226	3.8
69.76624	1.2
70.06548	0.9
73.02879	0.8
81.03362	1.4
84.08104	0.9
85.02916	7.4
86.09672	0.9
87.04436	0.8
94.06583	3.6
97.02832	2.4
98.23100	0.8
98.97593	6.0
107.07291	0.8
110.97550	0.9
112.99129	0.8
116.98547	1.9
117.07002	0.8
119.01891	1.5
120.08089	1.1
122.06002	1.7
124.11201	1.1
127.03896	1.6
128.98625	0.7
129.06941	1.6
130.06483	1.3
132.08023	2.1
134.05928	1.1
138.05502	10.0
140.07028	2.1
144.08066	1.7
145.04962	1.6
146.09589	2.3
147.04964	1.5
151.06320	5.4
152.07036	1.7
153.01819	1.7
156.08119	3.8
157.07588	1.0
158.09557	3.6
158.99664	1.5
160.11172	0.9
164.05847	1.0
164.07086	13.6
170.99608	1.0
172.07578	1.8
174.09119	2.1
177.00650	0.7
177.04269	0.9
178.04999	8.9
178.08589	2.5
184.07585	1.8
185.10796	0.8
186.04382	1.3
186.09166	1.7
187.12309	5.4
188.07050	1.2
189.06305	1.0
189.13892	4.0
190.08626	1.3
200.09508	1.1
201.06096	0.9
202.08615	5.5
204.08896	2.5
205.09572	1.0
211.56390	0.7
213.10228	2.9
215.11792	11.0
216.06586	2.2
216.08826	0.7
218.08093	4.3
219.01736	1.7
228.06496	1.5
230.08168	1.0
231.11278	9.3
233.12811	4.0
237.02768	2.1
239.04327	0.9
241.09561	1.1
244.08389	1.3
245.05049	1.3
245.09187	0.9
248.09409	0.9
259.10788	33.6
269.65988	0.7
277.03534	2.6
277.11838	100.0
278.12042	1.6
291.09366	1.9
303.01315	1.5
304.48477	0.9
305.10956	2.2
306.54440	0.8
309.65314	0.7
321.08594	0.7
321.10364	0.9
439.12433	1.5
439.17191	34.8
439.36676	0.8
440.17468	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18518	0.2
55.05499	0.3
57.03428	0.3
61.83709	0.2
66.26742	0.2
66.33901	0.3
70.06576	0.2
70.96550	0.6
70.96902	0.3
81.03413	0.4
81.07053	0.5
82.06554	0.5
85.02898	0.8
91.05482	0.5
93.07043	0.3
97.02899	0.4
98.06068	0.4
109.02912	0.2
109.10189	0.4
119.04932	0.3
127.03921	0.6
131.08545	0.3
133.10156	0.3
139.03882	0.4
143.02585	0.6
143.50069	0.3
147.04381	0.4
149.06001	0.4
153.17363	0.2
163.11211	0.4
173.06039	0.2
177.05516	0.6
185.03648	1.6
191.07034	2.0
202.12230	0.2
203.09387	0.8
205.12308	0.5
206.04509	0.8
214.12340	0.7
215.10756	0.4
219.05212	0.2
227.28314	0.2
230.11772	6.0
232.05923	0.4
232.13478	0.3
233.11642	0.5
234.07664	0.4
246.07738	1.1
247.08424	11.0
248.09120	0.7
248.12907	0.3
258.11237	4.0
276.12317	100.0
277.12650	2.5
387.91287	0.4
391.94730	0.5
414.96063	0.4
438.17532	6.7
438.23032	0.4
439.23068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1578
Annotation	BRUCEOLIDE
Peak:m/z	Relative Intensity
52.01618	0.7
53.98219	0.6
71.29825	1.8
85.02914	1.0
94.06585	0.7
97.02867	1.1
98.97572	3.4
120.08160	0.9
126.98030	0.6
138.05481	1.9
164.07076	2.1
169.01637	0.8
178.05066	0.9
179.02264	1.0
185.02975	0.7
186.03183	0.9
187.02733	5.1
187.12352	0.8
215.11900	1.1
218.08299	0.7
231.11342	1.1
239.04404	1.7
259.10724	3.7
277.03888	1.5
277.11868	12.2
295.05054	2.4
313.05917	4.3
340.98865	2.2
403.11090	1.8
439.15851	100.0
440.16248	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.26038	0.2
56.41109	0.2
61.02912	0.3
67.05493	0.3
70.09658	0.8
73.18053	0.2
79.05508	0.2
81.03416	0.4
82.06570	0.6
84.30511	0.2
85.02881	0.6
91.05485	0.3
98.06055	0.4
98.20813	0.3
107.08551	0.2
107.95478	0.2
109.10094	0.3
134.86888	0.3
139.03864	0.5
145.06514	0.3
149.05991	0.4
177.05493	0.7
187.07535	0.3
191.07011	2.4
202.08582	0.3
202.12282	0.3
203.09471	1.3
206.04532	1.2
214.12236	0.8
219.05367	0.5
230.08208	0.5
230.11768	6.2
232.06090	0.5
233.11771	0.4
234.07649	0.6
246.07474	1.2
247.08411	11.6
248.08937	0.4
258.08725	0.4
258.11276	4.8
259.11874	0.5
274.10672	0.5
275.11136	0.4
276.12308	100.0
277.12573	2.5
391.94693	0.6
438.12378	0.8
438.17572	18.5
439.18173	0.8
463.21075	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.176
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05029	0.7
61.69779	0.3
69.07047	0.7
69.58257	2.6
70.06563	0.5
72.15864	0.3
74.00662	2.0
76.55451	0.3
78.42159	0.4
81.07053	0.7
84.04481	0.6
84.08089	0.4
85.02940	0.5
88.15219	0.3
100.02210	0.5
123.08060	0.4
123.44118	0.4
124.11198	2.0
130.05013	0.8
153.01820	0.9
159.04324	0.4
161.05962	0.6
163.09886	0.8
177.03317	0.4
177.05464	0.5
180.02888	0.8
187.10011	0.4
189.33215	0.4
190.08549	0.4
191.57687	0.4
206.04561	0.7
206.06558	0.3
212.16568	0.3
220.06134	1.3
231.06561	0.4
234.07675	1.8
235.08432	1.9
243.09007	0.7
246.27429	0.4
247.08432	9.6
248.08911	0.8
258.11111	1.9
258.18817	0.4
259.12122	0.9
261.10025	0.4
270.58548	0.3
276.12326	100.0
277.12732	2.3
291.08237	2.5
363.10370	0.7
387.91754	0.5
391.94736	0.8
414.96121	0.7
438.17648	18.9
439.18124	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.6
55.01865	1.3
55.05514	16.3
57.03431	2.2
57.07073	3.7
59.04984	1.6
65.03952	3.0
67.05508	55.0
69.07068	17.2
71.04998	8.0
71.08620	1.6
71.50843	1.3
71.53193	0.8
79.05502	28.0
81.03447	1.5
81.07060	100.0
83.04987	3.6
83.08624	11.3
85.06545	9.7
91.05483	25.0
91.06059	1.3
91.85958	0.9
93.07048	44.1
95.04974	4.2
95.08612	42.4
96.08978	1.3
96.76122	1.0
97.06538	5.7
97.10180	4.1
99.08063	1.1
105.07040	31.8
107.04979	1.3
107.08601	39.7
109.06525	3.0
109.10167	26.7
111.08103	2.7
111.11710	1.3
115.05460	1.4
117.07042	8.3
119.08590	47.9
120.08919	1.9
121.10152	27.0
123.08074	1.3
123.11698	16.6
125.06059	1.8
125.09666	1.9
127.07587	1.3
128.06244	1.5
129.06972	2.1
130.07841	1.2
131.08583	18.6
133.10139	33.8
135.08052	1.9
135.11707	19.8
137.09657	1.1
137.13284	3.2
142.07809	1.0
143.08592	4.6
144.09344	2.1
145.06488	1.1
145.10127	26.9
146.10463	1.3
147.11685	18.5
149.09691	1.1
149.13269	21.0
151.11217	5.5
153.09149	1.8
155.08597	1.9
156.09311	1.8
156.75333	1.0
157.10133	7.2
158.10944	2.2
159.11700	26.1
160.12270	1.0
161.09709	1.6
161.13281	14.4
163.07549	1.8
163.11342	1.1
163.14821	10.2
164.15262	1.4
169.10173	2.8
169.12260	2.2
171.11694	5.4
173.13261	11.4
175.11205	1.6
175.14848	16.4
175.16258	1.7
177.09140	2.4
177.12808	2.0
177.16396	8.0
183.11761	2.6
185.13341	4.1
187.11703	1.6
187.13324	5.7
187.14876	12.2
189.16388	19.4
189.17850	1.5
191.07027	1.6
191.17973	21.0
193.10066	1.3
193.15866	1.2
195.11946	1.1
195.13872	4.3
197.13335	2.8
199.14882	4.4
201.16399	44.0
202.16873	1.7
203.14363	2.9
203.17984	21.1
205.15910	1.1
205.19620	2.0
207.11746	1.1
207.13969	1.3
209.13396	1.5
211.14899	2.0
213.16406	6.9
215.14395	1.6
215.17969	7.8
217.12077	1.6
217.19583	4.6
219.17520	2.5
221.15395	2.4
225.16431	1.5
227.17976	2.4
228.18214	1.1
229.16075	2.4
229.19469	5.8
231.21211	1.8
233.15363	1.7
239.18045	1.2
241.19499	2.4
243.21173	3.2
245.15388	1.3
247.16942	12.4
253.19662	1.9
255.21184	4.0
259.17126	1.0
269.22391	1.7
273.18604	1.0
287.93713	1.1
295.24304	1.4
299.20148	1.7
387.91467	1.1
391.33817	7.5
407.86823	1.0
414.95688	1.0
419.29233	1.8
437.19525	45.8
437.29276	30.2
437.34344	29.3
438.20026	3.9
438.34549	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3416
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
53.39428	2.3
53.57636	2.6
55.01856	2.9
55.05515	19.6
56.96550	5.9
57.03424	4.1
57.07066	7.1
65.03948	3.1
67.05162	3.9
67.05511	54.1
69.03420	6.0
69.07074	29.6
75.65540	2.5
79.05486	26.4
81.03421	4.7
81.07062	85.2
83.05000	4.0
83.08611	12.5
85.02892	5.1
85.06534	6.8
91.05492	29.2
93.07043	48.2
95.04969	6.9
95.08040	5.1
95.08613	76.3
97.02932	4.6
97.06515	6.2
97.10177	5.8
99.04461	3.5
105.07039	58.4
107.08603	71.2
109.06521	5.1
109.10169	49.0
111.08060	5.0
117.07038	14.3
119.08585	86.2
121.06518	3.9
121.09313	2.8
121.10160	46.2
121.22665	2.4
123.08112	3.2
123.11708	21.8
127.07555	4.3
128.06226	3.4
129.06981	5.4
130.07777	3.0
131.08578	35.4
133.10138	55.6
135.08034	4.8
135.11705	27.0
137.09627	3.9
137.13260	4.1
141.06952	3.2
142.07829	4.8
143.08553	16.9
145.10138	60.8
146.10527	3.6
147.08054	2.9
147.11703	34.1
149.02359	45.2
149.13255	22.7
151.07588	3.0
151.11197	4.2
155.08522	5.1
156.09319	3.5
157.10115	17.1
159.08055	4.7
159.11705	45.6
161.09624	2.7
161.13297	24.6
163.07544	3.3
163.11151	4.2
163.14755	14.5
169.10089	7.0
170.10843	3.0
171.11697	14.1
172.12476	4.0
173.09660	3.4
173.13263	25.6
174.14064	2.6
175.11162	3.3
175.14832	25.2
175.88998	2.7
177.12720	2.6
177.16414	18.4
179.10623	3.2
183.11668	8.2
185.09662	2.8
185.13280	18.2
187.11250	3.8
187.13327	4.8
187.14824	31.0
189.12692	4.3
189.16423	35.2
191.14297	3.8
191.17957	37.9
193.04980	71.1
195.11830	3.9
197.13289	8.6
199.14810	14.6
201.16402	100.0
203.14626	2.4
203.17935	26.4
205.15849	6.2
207.11751	2.7
209.13336	3.2
211.14835	5.4
213.16425	18.0
215.14307	6.7
215.17953	12.2
217.15895	4.5
217.19525	5.5
219.13765	4.0
219.17458	5.2
221.15437	4.2
223.14851	3.4
225.16397	7.1
227.17961	5.2
229.15944	5.1
229.19519	8.7
233.15277	3.9
237.16238	3.9
239.17984	5.5
241.19495	5.3
245.15288	5.1
247.16986	27.2
253.19514	6.4
255.21114	3.9
259.17065	5.9
269.10629	9.2
287.11923	3.4
299.19891	3.7
301.13208	3.8
316.11697	5.2
373.28891	3.7
387.91348	7.8
391.29303	14.5
391.33713	10.1
391.94595	9.7
396.95224	4.2
408.97104	4.2
414.96362	6.9
419.29398	8.3
437.29019	38.0
437.34299	29.8
438.28619	10.6
447.97592	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3418
Annotation	Alertenone
Peak:m/z	Relative Intensity
55.05502	9.9
55.08222	2.8
57.07071	7.0
67.05521	17.9
69.07072	26.0
69.39722	12.7
69.40150	16.3
71.04954	3.3
79.05500	13.3
81.07064	41.9
83.08616	9.4
87.13361	3.0
89.06034	10.5
90.28900	3.6
91.05481	18.9
93.07045	29.8
94.83994	4.0
95.04975	5.6
95.08617	56.5
97.10158	7.4
105.07042	31.3
107.08607	39.9
109.06516	5.7
109.10153	30.2
111.08067	8.1
117.07024	7.8
119.08592	44.8
121.06467	3.8
121.10138	29.4
123.08042	6.0
123.11718	11.0
129.07011	7.1
131.08611	18.8
133.08603	5.0
133.10138	23.7
135.11714	16.3
139.11140	3.5
143.08534	15.8
144.09232	3.6
145.10110	28.3
147.08086	3.9
147.11687	21.3
149.09583	5.1
149.13260	18.1
151.11172	4.6
153.05470	5.3
157.10135	21.4
158.10896	4.1
159.11708	28.8
161.13290	16.2
163.11124	5.3
163.14781	12.9
165.12756	18.7
168.09392	4.4
169.10115	5.5
171.11690	13.5
173.13269	18.8
175.14821	14.9
177.12791	6.9
177.16397	19.0
179.99312	3.4
183.11699	9.6
185.13278	11.6
187.14873	21.4
189.12785	4.2
189.16415	17.2
191.14297	8.7
191.17984	6.1
193.15817	6.8
197.13290	8.9
199.14833	16.1
201.16353	25.6
203.14334	5.1
203.17978	10.0
205.15860	12.0
211.14824	5.9
213.16437	18.0
215.17961	20.0
217.15887	3.9
217.19569	14.8
219.17560	3.9
225.16348	3.6
227.17947	14.8
231.17424	9.3
233.19118	7.1
237.16133	4.4
239.14873	4.2
239.17915	4.1
241.19382	5.6
243.17400	6.7
245.18965	15.4
253.19534	3.5
255.21156	3.9
261.18469	4.3
267.21005	4.1
391.33463	7.5
401.32141	4.9
419.33173	54.2
437.34338	100.0
438.34650	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	437.3414
Annotation	Alertenone
Peak:m/z	Relative Intensity
50.55277	2.5
55.05502	9.3
57.07081	4.1
67.05505	14.9
69.07062	16.3
79.05498	10.9
81.07059	24.0
82.86458	2.7
83.08605	4.9
84.22735	3.4
89.06027	5.4
91.05506	8.6
93.07043	21.3
95.05029	2.7
95.08611	31.2
97.10152	3.6
99.40829	2.9
105.07015	22.2
107.08595	33.2
109.06525	3.4
109.10148	21.9
117.07040	8.2
119.08569	27.1
121.10141	27.1
123.08051	2.6
123.11721	8.3
131.08578	12.0
133.10130	20.1
135.11723	9.2
137.09615	6.1
143.08604	8.0
144.09355	3.0
145.10164	20.0
147.11678	18.6
149.09656	3.1
149.13289	15.6
157.10155	15.2
159.11674	16.2
161.13257	5.1
163.14844	18.4
165.12790	5.5
169.10205	7.9
171.11668	13.4
173.13318	11.3
175.14796	15.6
177.16386	18.7
183.11775	9.0
185.13336	8.6
185.73994	2.8
187.14853	11.9
189.16447	11.1
191.17871	3.0
195.11694	4.2
197.13344	8.6
197.91454	3.0
199.14876	10.2
199.38129	3.2
201.16449	9.6
203.17958	5.0
205.15865	2.9
209.13333	5.1
211.14909	6.6
213.16425	6.6
215.17999	9.1
225.16469	4.8
225.98883	3.1
227.18013	8.0
229.19507	2.8
237.16547	2.8
239.15021	4.8
239.18030	9.9
257.19067	7.7
261.18585	7.7
267.21210	5.0
269.22760	9.8
273.18652	6.9
275.20050	15.5
299.20132	7.7
309.25833	3.9
361.28891	3.0
381.28061	4.5
401.32220	7.2
419.33218	25.9
437.34320	100.0
438.34644	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.55383	1.3
55.05506	11.6
57.07065	5.8
64.95388	1.4
65.03925	2.0
67.05501	17.1
69.07066	21.6
69.82076	6.7
79.05497	13.1
81.07056	35.6
83.08637	9.9
91.05482	16.7
93.07043	30.6
95.05012	1.7
95.08607	61.3
97.10156	3.1
97.54495	1.4
105.07030	47.7
107.08593	53.4
109.06520	2.8
109.09445	2.0
109.10160	26.5
111.08019	2.1
113.60298	1.5
117.07042	6.7
119.08585	72.2
121.10139	40.6
123.08039	2.3
123.11703	16.4
129.07004	3.1
130.07707	2.5
131.08566	19.3
132.86198	1.5
133.10123	50.5
135.11700	25.1
137.05945	3.8
137.13269	6.1
143.08545	7.8
144.09340	3.6
145.10124	43.4
146.10751	1.4
147.11691	42.8
149.13277	15.1
151.07526	2.7
152.86629	1.4
153.09102	6.4
155.05847	1.3
157.10143	7.4
157.13339	1.4
158.10892	2.4
159.11684	40.8
161.13255	21.7
163.07489	1.7
163.14816	10.3
165.09079	2.6
167.10599	1.6
169.10149	3.3
171.11732	7.1
172.12482	2.0
173.09575	2.1
173.13251	18.2
174.14095	2.2
175.11223	2.0
175.14813	35.3
177.09093	1.7
177.16417	18.8
179.10655	2.0
183.11743	1.9
185.13292	6.0
187.14813	14.7
189.16379	57.6
191.17978	11.3
197.13174	2.7
199.14857	4.4
201.16391	58.1
203.17963	57.4
205.19537	3.5
207.17505	2.6
211.14897	3.1
213.16371	4.8
215.14409	1.8
215.17934	23.5
217.15953	3.1
217.19568	5.3
219.74536	1.5
221.15355	2.6
225.16605	1.7
227.17957	3.2
229.19539	6.6
231.17491	2.0
235.16917	3.9
239.17978	1.8
241.19644	2.0
243.21115	6.1
247.16852	9.9
249.18297	3.1
253.19591	4.2
255.21072	4.0
257.22845	1.8
261.18521	10.9
267.21118	3.9
269.22672	3.8
273.18362	1.6
287.20090	1.9
289.21710	2.9
295.24243	3.9
299.20029	3.3
301.21500	3.3
313.21646	2.1
315.23206	2.6
333.25833	1.8
349.29019	1.8
391.33606	20.0
394.28561	3.3
401.34238	1.9
419.35025	6.0
437.34195	100.0
438.34564	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	437.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16405	1.7
51.29404	1.4
55.05511	7.9
57.07066	4.4
67.05505	15.2
67.16792	1.8
69.07066	12.2
69.91792	1.5
79.05483	4.6
81.07058	32.4
83.08601	5.9
91.05460	7.2
93.07059	15.5
95.08609	59.0
97.10168	1.8
105.07043	19.1
107.08598	23.2
109.10168	28.7
117.07018	4.3
118.22455	1.5
119.08582	33.5
121.10145	19.2
123.11712	16.6
131.08571	9.4
133.10144	19.2
135.11673	8.2
137.13254	7.7
143.08559	7.6
145.10132	29.3
147.11691	14.9
149.13301	10.4
151.14824	5.6
153.27626	1.6
157.10176	7.9
159.11713	18.0
160.77107	1.6
161.13274	11.7
163.14804	9.7
169.10164	3.5
171.11694	11.4
173.13240	13.1
175.14825	20.4
177.16405	7.5
183.11693	4.7
185.13245	4.8
187.14795	10.2
189.16405	18.2
191.17940	12.1
197.13402	3.5
199.14824	6.4
201.16408	21.1
203.17935	16.4
211.14772	3.1
213.16441	5.7
215.17987	13.0
217.19496	8.2
221.15315	4.4
225.16397	3.0
227.17938	3.3
227.79716	1.6
229.19498	3.9
233.15338	2.9
235.16937	2.1
239.17932	6.6
241.19516	16.6
243.21123	6.8
245.15482	1.6
247.16983	6.7
253.19527	6.4
255.21074	3.6
259.17032	3.8
259.20502	2.8
267.21115	4.9
269.22430	2.2
271.16925	2.5
281.22766	3.4
285.18454	9.0
287.19989	4.7
295.24194	4.4
299.20071	4.6
307.24237	2.3
313.21622	6.2
335.27264	5.3
353.24814	4.4
391.33603	23.0
437.34189	100.0
438.34323	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	437.3413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
54.20570	1.8
55.05513	8.7
57.07080	4.1
63.86271	1.7
67.05505	14.4
69.07065	13.6
69.91013	1.6
69.91315	8.8
74.57262	1.5
79.05485	10.9
81.07059	27.9
83.08631	8.2
91.05488	14.1
93.07039	22.6
95.08606	48.0
97.10175	4.3
98.20821	3.3
105.07026	35.8
107.08594	34.9
109.10155	23.6
117.07006	7.4
119.08583	60.2
119.09446	3.1
121.10132	28.4
123.11700	13.4
131.08563	14.6
133.10124	37.0
135.11667	19.8
137.06047	1.9
137.13275	5.8
143.08568	6.1
145.10123	29.0
147.11688	35.7
148.36545	1.7
149.13243	12.4
151.28609	1.6
153.09105	3.4
157.10159	6.3
158.10944	2.3
159.11678	33.0
161.13272	20.6
163.14801	7.0
171.11713	4.1
173.13284	13.7
174.14079	1.6
175.14810	28.9
177.16425	14.7
183.11728	2.3
185.13280	4.1
187.14810	9.2
189.16374	60.6
191.17944	9.5
199.14841	6.2
201.16380	47.4
201.18211	2.5
203.17949	57.7
211.14764	1.9
213.16368	12.0
215.17963	26.9
217.19550	6.2
221.15411	2.7
225.16452	3.1
227.17915	5.3
229.19548	5.6
233.15392	2.2
235.16960	4.3
239.17894	4.1
241.19510	6.0
243.21144	6.1
247.17006	4.5
249.18503	2.4
253.19466	3.0
255.21051	4.1
259.16959	4.7
261.18576	4.4
267.21011	2.8
269.22552	3.2
273.18610	2.3
299.20016	3.6
299.91727	1.9
313.21643	2.4
391.33484	14.8
394.28683	2.3
419.35123	5.3
437.34213	100.0
438.34851	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	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50514	1.1
53.03941	1.4
55.05513	13.3
57.07076	6.2
65.03925	1.7
67.05152	2.2
67.05502	21.1
69.07073	24.0
70.01498	5.0
71.08626	1.4
79.05495	10.9
81.07058	57.7
83.08630	10.6
85.10139	1.0
91.05471	11.2
93.07043	27.7
95.04971	1.4
95.08608	93.9
96.08964	1.2
97.10163	4.1
99.49275	1.0
105.06405	0.6
105.07030	31.4
107.08599	42.0
109.10162	37.9
111.11695	1.2
117.07003	5.1
119.08583	48.2
121.10143	28.7
123.11712	21.6
129.06975	3.2
130.93958	1.1
131.08580	16.1
133.10132	25.8
135.08105	1.2
135.11696	17.7
137.13261	13.9
142.07771	1.5
143.08557	7.1
144.09363	2.1
145.10123	34.9
147.11693	21.3
149.13266	19.2
151.14827	8.7
153.09135	1.4
155.08566	2.8
156.09364	2.5
157.10127	12.0
158.10904	2.0
159.11699	20.1
161.09598	1.5
161.13272	16.2
163.14804	14.5
169.10158	6.7
170.10947	1.5
171.11697	17.1
173.13263	19.6
175.14818	30.8
177.09068	2.2
177.16367	9.8
181.10049	1.2
183.11670	8.1
184.12442	1.8
185.13263	9.8
187.14865	11.0
189.16382	22.6
191.14348	1.3
191.17975	12.1
193.16014	1.3
195.11609	1.8
197.13234	6.5
199.14792	10.1
200.15546	1.2
201.16374	28.0
203.17940	20.9
207.17227	1.1
209.13351	1.3
210.14076	1.6
211.14890	4.3
212.15680	2.1
213.16385	10.5
215.17972	13.0
217.12305	2.2
217.19513	6.8
221.15407	3.3
223.14885	2.4
225.16376	5.6
227.17874	6.5
229.19490	6.1
231.17413	2.0
235.17050	1.5
237.16490	1.6
239.17909	11.8
241.19499	26.7
243.21068	7.7
245.15424	3.6
247.17017	5.5
253.19518	9.6
255.21103	7.7
259.16919	5.2
259.20572	2.7
261.18558	1.5
265.19479	2.7
267.21078	6.8
269.22610	2.9
271.16803	2.2
273.18646	3.2
275.20084	1.2
279.21030	1.8
281.22644	3.2
285.18524	12.4
287.20108	8.5
289.21762	1.7
293.22549	1.7
293.88239	1.1
295.24304	3.5
299.20190	7.1
301.21686	4.1
307.24219	1.7
313.21609	4.2
321.25696	2.2
327.23001	1.3
335.27386	4.1
349.28790	2.2
353.24899	2.9
381.27734	1.5
391.33600	27.2
419.32874	1.2
437.34183	100.0
438.34555	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	437.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.4
57.07073	4.8
58.75448	1.5
63.57521	1.6
65.03957	2.4
66.95387	1.9
67.05505	17.4
69.07070	21.3
78.37411	1.6
79.05505	9.6
81.07060	55.3
83.08622	7.7
91.05473	12.7
93.07059	23.3
95.04993	1.8
95.08612	85.2
97.10178	4.2
98.20744	5.6
105.07025	27.5
107.08592	33.5
107.45241	1.6
109.10164	35.3
117.07044	4.2
119.08585	49.3
121.10139	25.3
123.11720	20.4
129.07037	2.6
131.08563	14.2
133.10135	22.8
135.11702	14.2
137.13255	15.5
142.07809	1.6
143.08539	8.2
145.10135	32.7
146.10922	1.9
147.11710	21.3
149.13246	14.5
151.14850	10.6
153.09157	1.9
155.08569	3.3
157.10139	8.2
159.11678	19.7
161.13271	14.6
163.07573	2.6
163.14824	13.5
169.10164	4.6
171.11696	15.8
172.09975	1.7
173.13240	18.4
175.14848	30.6
177.09137	2.4
177.16386	9.7
179.14246	1.7
183.11739	6.0
185.13298	7.7
187.14856	10.1
189.16362	19.3
190.00131	1.8
191.17975	15.1
197.13293	5.4
199.14796	10.1
201.16400	28.5
203.17995	24.3
205.56703	1.8
209.13445	2.2
211.14824	4.3
212.15652	2.5
213.16364	11.9
215.17934	15.7
217.19536	6.5
221.15433	2.9
223.10680	1.8
223.14862	2.1
225.16463	5.4
227.17935	8.3
229.19511	8.7
231.14018	1.9
231.17337	2.5
237.16345	3.4
239.17929	13.5
241.19519	23.9
243.21042	9.3
245.15515	2.7
246.51024	1.6
247.17039	5.4
249.18585	1.8
253.19543	6.4
255.21133	4.9
259.17075	3.8
259.20358	2.3
265.19791	1.9
267.21002	5.8
270.20218	2.0
271.16949	3.2
273.18469	2.2
279.21091	3.5
281.22733	4.2
285.18420	12.9
287.20114	6.5
295.24265	6.8
299.20200	8.1
307.24097	2.9
313.21765	5.0
321.25833	3.4
325.21768	3.5
335.27414	5.8
353.24606	2.4
391.33621	32.3
437.34213	100.0
438.34570	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	437.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.7
53.25650	2.7
55.05518	20.3
55.93523	4.4
56.96570	9.1
57.07062	5.3
61.02909	4.1
61.46786	2.5
65.03951	3.7
67.05509	50.4
69.03431	6.5
69.07072	27.8
69.50298	13.3
69.50713	7.3
71.04996	5.9
72.10315	2.5
73.02963	3.7
79.05498	32.1
81.03431	6.8
81.07059	88.9
83.04987	6.3
83.08634	15.4
85.02917	7.9
85.06540	5.8
90.78468	2.7
91.05479	41.3
93.07043	56.4
95.04964	6.1
95.08611	68.6
97.02869	3.5
97.06553	6.9
98.97569	3.8
105.07033	63.9
107.08602	71.7
109.06527	8.8
109.10157	40.8
111.08075	4.4
115.43913	2.9
117.07005	15.6
119.08585	100.0
121.06532	6.2
121.10142	48.1
123.08039	4.7
123.11700	17.5
127.07552	5.5
128.06253	3.8
129.06972	6.7
130.07854	3.8
131.08568	45.0
133.10149	45.8
135.08096	6.9
135.11699	25.8
137.09650	6.1
137.13231	7.1
142.07782	5.3
143.08575	22.4
144.09349	4.3
145.10123	69.0
147.11702	25.7
149.02356	27.7
149.09735	3.4
149.13251	24.7
151.11172	3.7
151.14856	3.4
155.08569	6.3
156.09360	4.5
157.10161	25.8
159.11699	51.3
161.13289	27.4
163.11206	7.0
163.14893	13.3
169.10141	7.3
170.10872	3.9
171.11732	19.4
173.09683	4.0
173.13278	26.3
175.11160	3.8
175.14838	28.6
177.12726	7.7
177.16415	11.9
181.10268	3.4
183.11693	16.7
184.12445	3.6
185.13275	26.7
187.11252	3.9
187.13303	2.9
187.14824	45.4
189.12843	4.4
189.16418	23.4
191.14343	5.3
191.17963	23.2
193.04979	33.7
195.11583	7.5
195.13853	4.1
196.12538	3.4
197.13268	7.7
199.14822	24.6
201.12743	4.6
201.16400	67.4
203.10741	3.7
203.14302	10.1
203.17928	18.6
205.15804	16.7
209.13235	4.8
211.14934	9.0
213.12796	2.9
213.16386	30.2
215.14362	10.0
215.17928	11.7
217.15904	4.5
217.19559	4.1
219.17587	3.8
223.14960	3.4
225.16467	5.7
227.18065	8.5
229.15834	4.6
229.19516	10.2
237.16687	3.1
239.17931	6.6
241.19598	9.7
245.15373	7.4
247.16927	10.2
251.17789	3.2
253.19432	6.5
259.16983	8.0
267.21130	5.2
269.10651	8.8
275.20270	3.2
285.10062	3.7
287.11551	4.7
316.11768	9.7
357.15878	3.7
373.29092	5.7
387.91367	6.1
390.96536	3.5
391.29776	34.9
391.94617	10.1
393.31451	3.6
401.28015	3.9
408.97214	4.1
414.96140	10.2
419.29086	14.0
437.29428	52.6
437.34723	20.2
438.29288	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	437.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67059	1.5
51.75706	1.8
55.05504	7.5
57.07071	4.2
65.03951	2.1
65.31178	1.5
67.01199	1.5
67.05498	12.6
69.07066	16.8
71.06042	4.3
71.08640	2.2
79.05486	10.1
80.56064	1.6
81.06626	3.0
81.07060	31.2
83.08616	9.6
88.97617	1.7
91.05482	12.7
93.07047	22.4
95.08608	52.1
97.10197	2.7
105.07035	36.1
107.07938	3.4
107.08601	37.6
109.10149	26.8
111.11729	1.9
115.05589	1.7
117.07024	4.1
119.08589	59.7
121.10146	33.9
123.11710	9.5
128.96523	1.5
129.07048	4.4
131.08578	17.1
133.10136	45.8
135.11703	16.6
137.13275	5.6
139.07616	2.5
143.08549	5.6
144.09373	4.0
145.10120	38.4
147.11691	39.6
147.12776	3.1
149.13293	10.8
151.59111	1.8
153.09140	4.6
157.10141	5.9
158.10896	4.5
159.11703	44.0
161.13283	23.7
163.14803	9.1
171.11732	7.6
173.13295	18.5
174.14053	3.1
175.14844	23.0
177.16402	24.6
183.11737	2.1
185.13295	5.3
187.14812	16.5
189.16380	98.1
190.16879	2.5
191.17953	9.1
199.14819	7.2
201.16391	60.0
203.17960	60.0
211.14877	2.3
213.16292	9.4
215.17946	29.3
217.19508	3.7
227.18031	2.6
229.19586	5.1
235.16998	4.2
241.19598	6.3
243.21060	2.4
247.17014	4.9
249.18491	4.9
255.21167	5.1
259.17108	4.5
261.18546	6.2
313.76373	2.0
349.28842	2.1
391.33707	11.8
395.29562	2.9
419.33142	2.7
437.34232	100.0
438.34692	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	437.2359
Annotation	HC Toxin
Peak:m/z	Relative Intensity
53.79953	0.3
60.97438	0.3
63.75172	0.3
69.07053	0.4
70.06601	0.8
81.03414	0.3
85.02941	0.5
88.58782	0.3
91.05480	0.4
94.23394	0.3
95.08645	0.3
98.20602	0.6
110.06044	0.3
119.08604	0.3
120.08087	0.3
121.10143	0.3
127.03937	0.9
137.06036	0.3
153.01816	0.9
163.03876	0.3
167.07039	0.3
173.55971	0.3
181.04919	0.3
191.03508	0.3
193.94339	0.3
219.02943	0.4
229.01361	0.3
247.02443	0.8
257.00812	0.3
275.01901	2.7
275.17682	0.3
437.23630	100.0
438.23941	1.9
450.07162	0.3
462.18213	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01848	3.0
55.05295	2.1
55.05511	19.1
56.96550	4.4
57.03423	4.0
57.07077	3.5
61.02927	3.6
65.03932	3.8
67.05159	4.1
67.05506	64.7
69.03428	8.8
69.07069	19.8
70.06596	2.9
71.04985	6.1
71.62198	3.0
79.05502	31.9
81.03401	5.8
81.07059	100.0
83.04984	5.3
83.08603	10.8
85.06540	8.2
91.05487	41.9
93.07046	59.2
95.04976	6.4
95.08608	68.2
97.02903	2.7
97.06536	5.5
97.10173	5.1
99.08102	3.3
105.07039	72.8
106.07380	2.7
107.04919	5.3
107.08595	76.0
109.06499	11.2
109.10160	51.1
111.08062	5.6
117.07012	16.0
119.07780	5.3
119.08589	84.4
121.06513	5.7
121.10143	43.0
123.08088	5.0
123.11707	15.7
127.07533	5.6
128.06223	3.4
129.06995	7.8
130.07755	3.1
131.08571	40.0
133.06549	2.8
133.10133	42.1
135.08051	4.9
135.11705	24.7
135.26326	3.1
137.09570	8.2
137.13235	4.7
142.07742	5.7
143.08597	21.9
144.09337	3.4
145.10127	67.9
145.11275	4.9
147.11708	29.8
149.09692	4.2
149.13283	18.0
151.11227	3.1
153.06955	2.7
155.08553	7.7
156.09354	3.4
157.10133	18.5
158.10953	3.5
159.08134	3.0
159.11720	43.9
161.09695	3.2
161.13278	24.8
163.07587	2.9
163.11214	7.5
163.14821	8.7
169.10149	13.5
170.10941	3.0
171.11685	22.5
173.09610	3.3
173.11827	5.0
173.13208	25.7
175.14854	20.7
177.12674	5.4
177.16386	16.3
183.11725	10.4
184.12305	2.7
185.13268	32.7
187.11224	3.3
187.13370	2.7
187.14828	49.1
189.12790	3.1
189.16409	21.8
191.14326	5.2
195.11821	4.3
195.13614	4.3
197.13263	13.3
199.14833	22.4
201.12798	4.4
201.16432	26.8
203.14322	6.8
203.18015	13.3
205.15953	11.8
209.13281	5.6
211.14807	9.3
213.16382	19.0
215.14313	7.6
215.17918	14.4
217.15784	3.9
224.61934	3.0
225.16490	3.9
227.17981	6.9
229.19540	4.9
231.13763	4.0
231.17595	2.9
237.16357	4.1
239.17979	5.9
241.15639	2.9
241.19481	5.4
245.15359	5.4
251.17894	3.3
253.19463	7.7
267.21179	2.9
269.10498	3.2
291.65616	3.3
295.23999	4.0
316.11945	4.0
321.25751	3.5
373.28531	3.3
387.91370	4.5
391.29590	32.8
391.33792	7.8
391.94553	4.3
408.97095	3.7
414.96021	3.8
419.29330	15.3
437.29337	41.3
437.34476	24.4
445.47226	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	436.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80364	1.1
53.03940	1.3
57.03437	9.1
69.03422	3.7
69.54677	5.4
69.55106	3.6
75.04455	5.2
75.56615	1.2
79.05508	9.0
79.27748	1.2
85.02903	10.2
95.04969	1.4
97.02866	3.7
99.04371	1.3
107.04962	22.8
109.02876	3.5
115.18062	1.4
124.05212	18.0
127.03902	2.9
137.02336	6.3
139.07487	2.1
140.03481	1.5
140.55710	1.2
147.04317	1.2
151.03918	51.8
158.11734	4.2
165.12727	1.3
168.04179	14.8
183.06535	100.0
189.05467	3.2
196.04460	1.2
207.06499	3.1
209.08205	1.7
225.07628	1.7
230.10022	2.3
239.09149	6.6
257.10211	55.1
257.12915	2.9
274.10956	1.8
304.01556	2.2
332.63126	1.4
436.22028	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	436.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20803	1.8
52.10085	1.8
57.03434	7.1
57.34753	2.1
69.03407	4.4
69.53663	14.4
70.06590	4.5
74.10645	2.0
75.04502	3.7
79.05506	2.6
85.02901	6.7
90.32624	1.9
97.02892	4.0
98.09702	2.0
98.97633	1.9
99.63331	1.8
103.05440	1.9
105.07037	29.3
107.04974	2.4
110.09655	3.7
111.25786	1.8
124.11211	3.2
125.11965	2.2
127.03912	13.1
128.04277	2.8
131.04932	2.7
133.06491	65.1
137.05983	100.0
138.25157	1.9
140.92413	2.1
153.01826	6.1
163.07556	7.1
165.09140	38.5
175.07565	3.0
181.15378	2.1
183.10187	29.5
190.04993	3.0
192.04944	2.0
203.10677	3.4
208.06134	5.3
221.11693	2.4
234.58473	2.2
239.12857	4.5
257.13849	60.7
274.08182	2.3
274.10739	55.1
393.11725	2.0
436.15738	9.9
436.24997	2.5
457.45496	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18714	0.3
50.89790	0.3
58.97570	0.4
63.12499	0.3
69.03411	0.7
71.31059	0.6
81.03424	0.4
84.08183	0.3
85.02902	0.5
97.02876	0.9
109.02809	0.4
127.03882	0.5
145.03531	0.3
149.00745	3.3
158.69975	0.3
167.01892	18.1
168.02179	0.5
184.02127	0.3
184.20425	0.3
185.02954	100.0
186.03119	1.9
190.03461	0.4
203.03993	11.9
204.04132	0.5
208.04616	0.9
209.02951	12.2
211.04494	1.3
221.03049	1.8
223.04504	2.5
225.02531	0.4
227.04005	12.5
228.04118	0.4
233.02908	3.7
235.04491	1.4
237.06108	2.2
239.03981	2.8
241.05574	1.0
245.02939	4.8
247.04523	1.1
250.05725	0.4
251.04012	6.1
253.05527	2.1
263.04019	8.6
264.04218	0.4
265.05585	1.0
269.05042	1.1
275.03986	27.6
276.04233	0.8
281.05035	1.1
293.05051	41.2
294.05246	1.0
302.62006	0.4
311.06104	79.9
312.06317	1.8
316.06726	1.2
329.07175	0.8
437.09271	1.4
437.15146	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3258
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03938	2.0
55.05513	6.9
55.49348	1.2
57.07060	3.7
65.03935	1.5
65.80235	1.2
66.40397	1.2
67.05504	11.1
69.07070	8.1
71.13096	2.4
79.05486	8.5
81.07053	19.1
83.08617	3.0
91.05472	10.4
93.07046	20.3
95.04930	1.9
95.08608	35.1
97.10148	2.2
105.07037	29.2
105.17961	1.3
107.08598	36.6
109.06541	2.0
109.10162	21.3
109.52305	1.2
110.26748	1.2
115.05477	1.2
117.07023	5.6
119.08582	43.6
121.10145	21.5
123.11714	4.3
128.06212	3.0
129.06998	3.5
130.07808	2.3
131.08574	16.1
133.10135	33.7
135.11707	8.8
137.09657	1.5
142.07742	3.2
143.08566	9.0
144.09354	4.5
145.10124	32.0
147.11682	18.0
149.13274	5.9
153.09091	2.0
155.08585	3.5
156.09344	5.3
157.10129	17.7
158.10904	1.6
159.11697	39.5
161.13301	10.8
163.07538	1.6
163.14842	5.7
169.10153	4.7
170.10947	2.9
171.11707	20.3
173.13269	23.8
175.14830	28.0
177.09158	1.4
177.16415	8.0
183.11790	5.6
184.12369	2.9
185.13272	9.8
187.14825	25.7
189.16380	16.3
189.80746	1.2
191.17958	3.2
195.11823	1.8
197.13333	5.9
198.14049	2.0
199.14828	20.3
201.16393	49.7
203.17926	8.2
205.19540	1.5
209.13287	3.2
211.14854	6.0
213.16393	23.7
215.17958	17.0
217.15851	1.2
217.19536	2.5
223.14873	3.0
225.16473	3.4
227.18028	3.6
229.15948	2.3
229.19432	1.7
231.17584	2.3
233.15491	1.3
233.18968	2.2
237.16362	2.8
241.19449	5.9
247.17020	3.9
249.16302	1.5
251.18002	3.6
253.19499	2.4
259.17010	3.4
261.18808	2.8
263.17865	1.5
265.19498	2.8
267.21185	2.9
279.20984	1.9
281.22723	2.4
293.22604	3.5
311.23764	2.3
319.24283	2.8
327.23233	4.1
339.23019	1.8
341.24774	3.4
365.24841	1.7
389.32065	19.7
407.33221	9.5
417.31430	2.2
435.32623	100.0
436.32828	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	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
55.05512	4.8
55.35772	0.7
57.07064	1.4
61.92802	0.6
67.05500	4.5
69.03416	0.8
69.07075	16.2
70.85940	2.1
79.05495	3.6
81.07063	9.3
81.87505	0.7
83.08614	2.9
91.05497	6.0
93.07041	9.2
95.04969	1.1
95.08610	11.3
97.10165	0.8
105.07033	16.8
107.08599	13.3
109.06506	1.9
109.10152	6.3
117.06998	1.9
118.12849	0.7
119.08584	22.5
121.06501	1.7
121.10140	10.3
123.08092	0.8
123.11702	2.0
128.06288	1.5
129.07019	2.2
131.08588	6.6
133.10123	11.6
135.11710	3.1
139.07520	0.7
139.61876	0.8
140.38924	0.7
141.06999	1.4
142.07802	2.0
143.08569	6.5
144.09290	0.9
145.10121	14.9
147.08105	0.9
147.11700	7.9
149.13300	3.2
153.09129	0.7
155.08592	2.3
156.09366	2.6
157.10132	12.8
158.10933	2.0
159.11700	16.4
161.13287	4.6
163.14819	3.5
169.10143	4.3
170.10904	2.5
171.11696	10.8
172.12476	1.3
173.13269	11.0
173.30164	0.7
175.14835	23.0
177.16409	4.2
181.10147	2.0
181.79578	0.7
182.10995	1.0
183.11693	5.2
184.12503	1.3
185.13307	5.0
187.14809	7.3
189.16368	6.9
193.10199	1.3
193.15852	1.9
195.11713	3.0
196.12383	0.8
197.13269	5.5
198.14023	2.1
199.14824	9.6
201.16389	12.7
201.36264	0.8
203.14455	1.1
203.18013	3.9
207.11719	1.2
209.13269	3.8
211.14836	4.0
212.15567	1.2
213.16393	16.4
213.18361	1.3
215.17943	8.3
215.19582	0.8
221.13297	1.6
221.15398	1.3
223.14911	3.1
225.16418	3.0
227.18002	4.7
229.19475	1.7
231.17435	0.9
235.14877	1.9
237.16483	3.6
239.17932	1.4
241.19571	3.3
249.16458	2.1
251.17993	1.7
253.19481	1.8
262.17249	0.8
263.18002	2.2
265.19495	1.5
267.21024	1.0
277.19733	0.9
278.20386	0.9
279.20993	1.5
281.22644	0.9
291.21011	0.9
293.22696	2.3
305.22659	1.9
317.22592	0.8
318.23557	1.0
319.24249	2.3
321.25830	2.8
333.25839	3.2
343.22781	2.1
346.26602	1.6
347.27289	2.1
351.23273	2.8
353.25244	1.3
359.27335	0.8
365.24738	3.5
366.25537	3.1
367.26337	3.0
377.24866	1.8
379.26434	8.1
389.32086	9.3
392.27173	2.7
417.26602	1.3
417.31955	1.1
435.32648	100.0
436.33026	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	435.3259
Annotation	Plagiospirolide E
Peak:m/z	Relative Intensity
53.03932	2.2
55.05511	9.8
57.07067	3.6
63.55700	0.9
65.03943	2.1
66.11089	1.1
66.28831	1.2
67.05508	16.6
69.07069	16.3
70.81776	2.7
70.82111	1.9
71.08660	1.6
79.05499	12.4
81.07056	26.1
83.04995	1.5
83.08625	7.1
85.06547	1.3
91.05475	16.2
93.07035	23.5
95.04967	3.0
95.08611	37.2
97.10197	3.1
105.07030	38.0
107.04895	1.1
107.08603	36.0
109.06525	3.7
109.10150	20.4
111.08117	1.2
115.05473	1.1
117.07023	8.4
117.21552	1.0
119.08586	54.2
121.06477	1.9
121.10148	27.1
123.08075	2.2
123.11701	8.1
125.06026	1.4
125.09660	2.1
129.07001	5.8
130.07782	1.8
131.08574	21.5
133.10139	35.0
133.22325	1.1
135.08020	1.7
135.11694	13.4
137.13240	1.7
142.07797	4.9
143.08565	12.9
144.09343	3.9
145.06496	1.5
145.10123	45.2
147.08038	1.2
147.11697	17.4
149.09683	1.5
149.13280	9.0
150.10204	1.2
151.07576	1.7
151.14783	1.2
153.09088	2.4
155.08560	3.8
156.09358	4.2
157.10130	17.3
157.11314	2.1
158.10933	3.4
159.11697	35.5
159.13020	2.1
161.09659	2.0
161.13228	10.8
163.06407	1.2
163.07536	6.1
163.14857	5.1
167.08609	1.7
169.10114	6.1
170.10910	2.3
171.11710	16.6
173.09531	1.5
173.13260	18.4
175.14839	25.4
177.09132	2.4
177.16389	6.7
179.08609	1.2
181.10149	3.2
183.11646	6.4
184.12512	2.2
185.13268	10.8
187.14830	20.5
189.16367	17.8
191.10892	1.2
191.17992	2.7
195.11710	4.0
197.13281	6.6
198.14012	1.6
199.14819	16.6
199.16525	1.3
201.12679	1.9
201.16376	40.1
201.18217	2.2
203.14510	1.7
203.17995	5.9
207.11723	1.4
207.13770	1.3
209.13306	4.3
211.14854	6.7
213.13120	1.3
213.16356	15.9
215.14377	2.3
215.17957	9.7
217.12303	1.5
219.13879	2.0
221.15419	2.2
223.14857	3.8
225.16382	4.0
227.17976	5.0
229.15858	2.8
229.19556	2.3
231.17439	1.4
233.15445	2.6
235.14796	1.6
237.16374	4.2
239.17978	2.8
241.19498	6.4
243.13927	1.4
243.21150	2.0
245.15392	1.6
247.16985	4.8
251.17848	3.0
253.19629	3.1
259.16916	2.0
261.18759	1.5
265.19547	1.4
267.21136	3.8
271.16949	1.3
273.06735	2.2
277.19580	1.3
279.20966	1.7
281.22540	1.2
285.18744	1.6
293.22687	5.2
297.18637	1.5
299.20099	2.4
305.22684	1.2
313.21658	1.9
319.24164	2.7
325.21753	1.4
333.25894	3.6
343.22919	1.7
347.27338	4.4
351.23215	2.2
353.24722	1.9
361.23618	1.4
365.24615	2.1
379.26364	2.2
389.32043	16.2
390.11096	1.4
392.27328	1.9
393.27924	2.0
407.33273	3.1
417.31531	2.6
435.32681	100.0
436.32950	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	435.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.7
55.01861	3.8
55.05506	4.5
57.03430	1.8
64.38049	1.3
64.93509	1.6
65.03945	9.8
66.47803	1.5
67.05517	6.7
69.03433	6.4
69.07061	2.2
70.06618	1.5
75.04478	2.1
78.04713	4.0
79.05495	10.1
81.03418	4.5
81.07058	1.7
82.04180	2.6
83.08630	1.9
85.02903	9.9
91.05482	17.3
93.03391	10.8
93.07040	4.7
95.04990	7.0
97.02889	1.6
97.06526	4.6
100.11257	4.9
100.27733	1.4
103.05466	6.0
105.07033	3.4
106.04178	17.4
107.04960	19.8
110.03654	3.7
111.04440	3.1
115.05473	4.8
117.03381	1.6
117.05474	2.2
117.07013	4.3
119.04932	8.7
119.08649	1.3
121.02856	14.5
121.06504	19.8
123.04427	6.3
124.05212	2.3
125.06011	9.0
127.03920	15.8
129.06982	3.0
131.04906	2.3
131.08537	3.2
133.02824	3.2
133.06491	3.7
134.03604	3.5
137.05957	5.8
138.03127	2.0
138.06767	2.0
141.11511	1.9
142.02594	2.3
144.05690	2.4
145.06494	9.4
147.04414	24.4
147.05486	2.2
148.05153	1.6
149.05984	27.6
151.07559	3.1
153.01833	37.8
153.05453	4.2
153.09119	8.7
155.07031	3.4
157.06494	3.1
159.04451	1.5
159.08043	4.2
160.05141	2.1
161.05969	5.5
163.03915	1.5
163.07475	2.4
165.05502	4.7
167.07047	46.6
171.06592	4.1
172.05180	7.6
173.05995	5.3
174.06891	1.4
175.07524	3.8
177.05487	16.0
177.09033	1.5
181.04967	100.0
181.08531	17.2
182.15413	3.8
187.07535	8.7
189.05466	3.1
191.07024	4.3
191.10646	1.6
193.08493	1.4
195.02904	1.5
200.04735	3.9
201.05475	5.5
205.08603	4.8
206.05714	1.7
208.07353	3.5
209.08090	43.3
210.14876	6.8
218.05766	7.4
219.10123	4.1
221.08040	6.1
225.07657	2.2
226.08266	2.8
233.08076	49.8
245.08133	4.5
251.09068	2.2
252.39795	1.4
263.09149	10.1
271.06018	9.1
272.06268	7.5
273.07568	38.7
287.05441	4.3
291.06451	1.7
295.09720	2.7
297.28842	1.3
307.09579	1.4
314.60962	1.9
331.74768	2.0
335.09277	1.8
339.12003	1.6
341.24615	1.5
343.77002	1.5
355.11737	3.8
367.11761	3.0
370.93060	1.5
372.11722	1.8
381.13248	2.8
387.14426	7.3
399.14194	4.6
417.15445	25.9
425.13831	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
65.03953	2.0
69.03423	2.9
71.05874	1.0
79.05502	0.9
81.03396	1.4
81.80274	0.4
85.02901	1.0
85.43913	0.5
91.05479	13.0
98.06007	0.4
107.04959	1.6
108.53348	0.4
109.02879	1.1
119.04948	26.3
127.03916	54.6
145.06519	0.7
147.04411	100.0
148.04750	1.4
153.05373	0.4
165.05473	1.4
167.07037	4.3
172.05209	1.0
173.06067	0.8
176.85486	0.4
181.04950	8.2
187.07492	0.9
188.04836	0.4
195.06451	0.5
201.05453	1.2
218.05701	0.8
221.08067	0.6
233.08081	5.2
233.36653	0.5
259.06143	0.6
263.09189	1.2
271.06177	0.8
272.06381	0.9
273.06601	1.4
287.05420	0.7
291.08588	2.3
309.09720	0.9
375.16864	0.7
387.14349	1.3
417.15494	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	435.1654
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03951	2.0
55.05520	1.2
65.03935	7.7
67.05488	3.4
69.03412	5.4
75.04452	1.8
78.04702	2.0
79.05492	8.0
81.03426	5.1
81.07050	2.2
82.04192	2.6
83.08569	1.1
85.02909	7.2
88.76917	1.0
91.05476	9.3
93.03398	7.0
93.07043	1.6
95.04964	6.8
97.02876	1.7
97.06508	3.2
98.20750	4.3
100.11215	2.0
103.05391	1.9
105.04530	1.2
105.07048	1.8
106.04177	11.6
107.04272	1.8
107.04959	19.8
108.02108	1.8
109.06472	2.1
110.03658	3.7
110.07185	1.2
111.04433	3.2
111.62127	1.0
115.05441	4.6
117.03286	1.0
117.06976	4.5
119.04942	6.7
121.02850	6.0
121.06510	10.2
122.03576	1.1
123.04421	4.1
124.05199	3.8
125.06011	5.9
127.03942	7.9
128.06215	1.4
129.06999	2.0
131.04941	3.1
131.08566	1.8
133.02826	1.6
133.06418	2.4
133.84813	1.3
134.03621	1.9
135.04427	1.3
137.05965	4.2
138.03156	1.3
139.03934	1.2
139.07491	1.3
141.06970	2.2
142.02631	3.1
142.04201	1.2
144.05702	4.8
145.02838	1.4
145.06512	9.6
147.04408	18.3
149.05986	16.1
151.03932	1.4
153.01833	41.7
153.05463	4.3
153.09047	5.0
153.65643	1.0
155.04964	2.3
157.06503	2.9
159.07997	3.1
161.05991	6.0
163.07475	1.3
165.05460	1.7
167.07050	44.8
168.07407	1.4
171.06488	3.9
172.05217	8.3
173.05957	4.2
175.07607	1.7
177.05472	11.5
181.04959	100.0
182.15381	2.4
183.04550	1.0
187.07568	8.0
189.05508	2.6
190.06215	1.4
191.06935	2.9
191.10768	2.0
193.04932	1.3
195.06587	2.6
200.04648	3.3
201.05441	6.8
205.08626	3.0
206.05696	2.0
209.08101	28.4
210.14888	2.7
217.08530	1.9
218.05617	6.5
219.06467	1.4
219.10051	6.8
221.08058	5.7
225.07664	2.0
229.46490	1.2
233.08084	50.1
235.07501	1.3
235.09624	2.4
245.08084	3.0
251.09175	4.4
263.09250	11.2
271.06055	5.7
272.06302	4.7
273.07578	41.2
274.08002	2.0
275.51004	1.1
287.05481	3.0
292.07602	1.0
309.10916	1.3
323.09286	1.5
339.12479	1.4
355.11728	3.3
367.11804	2.8
371.14908	2.1
372.11896	1.6
381.13531	1.4
384.12009	1.6
387.14410	8.0
399.14459	6.5
417.15469	27.6
435.19736	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.81240	0.5
53.03941	0.9
58.10189	0.4
65.03931	0.5
69.03422	2.0
69.53144	3.5
69.53474	0.5
73.89517	0.4
81.03435	3.1
85.02909	0.8
91.05484	8.8
91.55149	0.5
97.02846	0.5
97.73347	0.4
98.61161	0.5
100.92649	0.4
109.02868	1.5
119.04946	20.4
126.43267	0.4
127.03922	34.0
147.04414	100.0
148.04771	0.8
165.05405	2.8
181.28027	0.4
201.72363	0.5
230.38472	0.5
252.51161	0.5
271.05984	1.0
272.06357	1.3
273.06638	2.2
291.08591	5.4
291.11606	0.6
294.08194	0.5
309.09732	1.7
400.44699	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1287
Annotation	Isoinnovanoside
Peak:m/z	Relative Intensity
53.03944	1.0
53.32523	0.5
65.03934	1.8
69.03425	3.0
69.92952	1.1
69.93346	1.3
81.03418	4.0
85.02894	1.3
85.06558	0.7
85.22587	0.5
86.09704	0.8
91.05483	8.5
95.04935	0.8
97.02871	1.0
99.04434	0.7
107.04931	0.9
109.02876	1.4
119.04945	21.9
121.02878	9.6
123.04417	0.5
127.03919	37.2
133.10034	0.5
137.05960	0.9
142.52579	0.5
147.04411	100.0
148.04767	1.3
151.08669	0.7
153.01845	5.0
156.10229	0.6
162.18385	0.5
163.07585	0.8
165.05510	2.6
167.07016	0.6
179.06987	0.5
181.05042	0.9
183.06444	0.7
186.59003	0.6
206.08585	0.7
215.08592	1.4
217.01309	0.6
229.09671	2.8
273.12482	0.8
273.16290	0.6
275.10349	2.0
291.08603	4.6
303.01428	4.1
304.12598	0.6
309.09641	1.8
377.13818	1.8
417.16360	1.0
435.21939	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0925
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
53.03947	0.6
55.01861	0.7
56.66133	0.6
57.03445	4.3
58.93180	0.5
61.02911	1.7
67.11308	0.6
68.99798	0.5
69.03420	0.9
71.41048	1.1
71.57718	0.6
73.02920	11.2
79.01846	0.7
81.03428	0.6
85.02890	0.6
91.05470	1.1
95.04951	0.7
98.06093	0.5
106.04138	0.6
109.02872	0.9
111.00761	0.7
115.03963	0.6
119.29228	0.5
121.02869	9.9
121.06476	0.9
123.00785	1.1
127.03925	0.6
135.04410	0.7
137.02342	3.7
137.05948	0.8
147.04411	0.6
149.06003	1.9
153.01828	12.7
153.02953	0.7
165.01860	2.2
167.07053	0.7
177.05553	0.7
179.00745	0.6
181.04945	2.1
181.08582	0.7
191.03384	0.6
201.05437	2.3
209.08102	1.6
229.04988	3.9
233.08087	1.2
247.05927	0.8
257.04373	2.9
273.06656	0.7
274.04752	0.9
285.03897	1.8
303.04993	100.0
304.05310	2.4
417.15408	0.6
435.09283	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.8
57.03440	22.1
59.04996	6.3
60.04526	3.3
60.50609	1.5
61.02941	5.2
65.03960	1.6
69.03437	80.9
70.05458	6.2
71.04977	1.8
73.02921	4.3
75.04491	2.0
79.05515	1.8
81.03412	6.8
81.07104	1.6
83.01381	2.5
85.02910	100.0
87.04475	57.3
87.05010	2.6
95.04990	2.4
97.02899	70.9
97.43279	1.5
99.04457	4.7
103.03911	2.4
103.37155	1.5
105.07056	7.4
107.05021	1.8
109.02902	5.9
115.03934	96.4
117.73464	1.4
120.05644	1.8
126.05547	7.4
127.03902	16.7
129.07028	1.8
133.04971	99.1
139.03940	1.6
145.04968	31.6
145.06203	2.4
147.04382	1.7
147.08058	1.8
150.07622	14.8
153.01805	4.0
163.06012	13.3
167.07072	6.0
169.05070	2.1
171.08182	1.9
181.04958	9.7
187.07591	2.4
189.09123	3.3
201.09123	2.8
231.10106	2.1
233.08058	7.5
241.07065	3.5
259.08218	4.3
277.09116	2.4
295.10242	3.2
417.15173	2.1
435.21918	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03180	2.0
57.03441	28.6
59.04987	4.7
61.02914	4.9
69.03434	84.8
69.61592	6.6
69.62003	3.5
71.05004	2.0
73.02904	3.5
73.65947	1.7
75.04466	2.7
79.05476	2.0
81.03405	6.3
83.50959	1.6
85.02909	96.8
87.04469	54.2
91.03964	2.5
97.02895	69.7
98.20719	2.2
98.97547	1.7
99.04465	2.6
105.07043	10.0
109.02926	3.6
115.03936	96.3
120.05593	2.4
125.02318	1.6
126.05512	5.6
127.03922	17.4
133.04971	100.0
134.48616	1.6
145.04967	35.1
147.08098	2.9
150.07620	16.0
153.01872	2.9
163.06017	11.6
167.07022	3.5
169.05003	1.8
171.15926	1.8
173.09700	1.8
181.04956	10.5
189.09120	3.4
201.08925	2.5
233.08102	5.8
237.11128	2.1
241.07002	2.7
259.08072	4.4
277.09128	2.6
285.13245	2.9
295.10272	2.8
345.65027	1.8
375.94217	1.4
376.00409	1.7
393.33829	1.9
435.21790	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	435.0925
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
55.01860	2.5
55.66301	0.9
56.00358	0.7
56.47103	0.7
57.03434	3.0
61.02935	0.8
65.03953	1.1
67.05505	0.8
68.99792	0.8
69.03420	2.3
69.65597	1.7
69.66000	3.6
71.01325	0.8
73.02921	2.1
79.05514	1.0
80.20466	0.8
81.03413	1.0
83.37221	0.8
85.02902	3.4
90.81654	0.7
91.05496	3.4
95.04964	0.9
97.02876	1.2
98.21372	1.4
103.05459	1.0
105.07029	1.2
107.04967	1.7
115.03927	1.5
119.04904	0.7
121.02910	4.8
121.06519	1.8
127.03954	1.1
129.07030	1.3
130.77296	0.8
131.08571	1.5
133.04987	1.7
133.06558	0.8
137.02345	4.1
137.05936	1.1
151.07500	1.1
153.01839	7.9
157.06479	2.6
161.05997	3.4
163.07536	1.1
165.01836	2.6
165.06998	1.0
167.07051	7.3
181.04976	3.1
181.08609	7.0
182.07191	0.7
189.09113	5.8
201.05534	2.8
207.10190	1.6
213.09196	1.1
219.08008	1.0
223.07561	0.9
225.09068	1.2
229.04955	5.3
233.08072	2.5
235.07300	1.0
236.08560	0.9
240.40819	0.9
247.06044	1.0
257.04456	2.4
274.04532	0.9
279.10089	0.9
285.04065	1.8
285.11203	2.6
303.05008	100.0
304.05286	1.6
315.12207	1.6
317.13797	2.3
343.15350	1.2
346.14349	1.4
359.14694	1.0
360.15720	3.2
361.16620	3.2
435.19888	1.4
435.24948	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.2
55.05511	31.7
59.05005	54.5
65.03936	3.0
67.05511	16.9
69.03432	4.2
69.07076	9.3
69.28651	24.1
70.32890	2.5
75.23794	2.4
79.05508	14.6
81.07073	14.1
83.04977	2.7
83.08633	3.3
85.06548	100.0
91.05483	45.0
93.07051	33.7
95.04974	5.3
95.08617	24.0
97.06571	2.8
99.08080	7.0
101.06059	3.1
103.05477	4.1
105.04546	2.7
105.07040	38.3
107.08604	26.0
109.06531	11.5
109.10169	14.3
111.08080	11.6
115.05445	6.6
117.07012	13.1
119.07774	5.2
119.08585	61.7
121.10149	20.9
122.07269	5.0
123.08063	7.2
123.11715	5.0
125.09634	23.6
128.06227	7.1
129.07018	7.5
130.07776	4.3
131.08574	21.6
132.09351	2.7
133.10147	21.0
135.08040	4.0
135.11703	8.1
137.09627	23.6
140.49817	2.4
141.07036	3.6
142.07784	11.2
143.08575	17.9
144.09312	3.3
145.10129	31.2
147.08118	3.1
147.11684	11.8
149.09662	7.4
151.11203	30.6
153.07074	3.1
155.08562	8.7
156.09337	9.5
157.10165	22.3
158.10983	2.9
159.11697	16.2
161.09624	4.8
161.13231	2.8
163.11201	4.7
165.06940	3.2
168.09395	5.0
169.10104	11.9
170.10884	6.2
171.11690	17.3
173.13286	6.9
175.11201	5.7
177.12863	2.8
179.08551	6.1
180.09239	3.3
181.10123	6.9
182.10980	3.3
183.11739	12.2
185.13266	9.2
187.11235	3.8
189.12764	4.4
193.10143	7.9
194.10887	4.6
195.11707	9.4
197.13293	5.8
200.73486	2.4
203.14362	6.6
207.11682	4.9
208.12540	2.9
209.13297	12.5
211.14844	5.4
214.78941	2.3
215.14362	5.0
218.07578	2.8
219.11578	2.8
220.12262	2.6
221.13269	6.9
222.14073	2.9
223.14882	7.4
225.16399	3.8
227.14494	3.0
235.14836	6.1
237.16278	3.9
247.15038	2.6
249.16505	4.4
263.18121	4.0
271.06082	19.2
277.19745	3.1
309.22040	2.7
376.08011	2.5
416.80560	2.5
433.31418	9.9
433.37009	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	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14377	2.1
53.03944	3.1
55.05290	2.6
55.05514	27.3
59.05005	58.6
60.08006	2.2
67.05502	13.8
69.03417	4.1
69.07050	5.5
71.05000	3.5
71.47688	4.5
73.06557	2.0
79.05495	16.2
79.78043	2.0
81.07061	21.4
83.04955	4.9
83.08615	4.6
85.06547	100.0
91.04964	2.8
91.05495	44.5
93.07044	30.4
95.04960	7.1
95.08611	29.6
97.06494	2.2
99.08099	3.9
103.05429	3.5
105.06361	4.0
105.07028	44.0
107.08588	19.1
109.06494	8.4
109.10163	16.9
111.08083	10.4
115.05414	2.8
117.07034	14.3
118.09179	2.1
119.08585	64.5
121.06480	2.8
121.10152	23.7
122.07275	6.5
123.08095	10.7
125.09646	27.4
125.62469	2.1
128.06247	6.4
129.07001	11.1
129.74106	2.5
130.07805	4.1
131.08577	22.1
133.10152	24.6
135.08066	6.1
135.11742	10.9
137.09608	23.8
141.06975	6.9
142.07762	10.0
143.08543	23.0
144.09329	5.1
145.10143	32.0
147.07986	4.1
147.11685	11.7
149.09596	11.2
151.11183	29.3
153.07001	2.5
153.26199	2.1
155.08557	7.4
155.15204	2.3
156.09328	9.5
157.10141	30.1
159.11711	13.7
161.09546	3.2
161.13231	2.8
163.11209	6.0
165.07051	5.7
167.08524	5.0
168.09341	5.5
169.10101	12.7
170.10895	4.4
171.11667	17.7
173.09555	3.0
173.13255	8.0
175.11263	3.6
175.14856	4.4
179.08545	4.6
180.09319	3.4
181.10147	6.4
182.10887	6.0
183.11676	12.5
185.13208	8.5
189.12747	7.3
191.14005	2.5
193.10135	7.7
194.10901	5.1
195.11694	9.6
196.12447	4.1
197.13260	9.6
199.14824	4.1
203.14252	7.4
205.10069	2.3
206.10957	5.3
207.11763	7.5
208.12485	3.9
209.13210	13.6
211.14824	4.5
213.12738	4.0
215.14304	6.7
219.11623	3.6
221.13266	8.4
223.14877	7.7
225.16441	3.5
232.12502	2.9
235.14772	6.2
237.16438	3.0
247.14615	3.2
249.16275	3.0
261.16296	2.8
263.18002	2.8
271.06021	12.4
341.24820	3.0
433.31119	8.6
433.36911	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	434.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.05499	2.5
57.03435	10.3
61.02926	0.9
69.03413	2.0
71.04993	73.6
73.02921	2.5
75.04476	4.6
81.03423	2.4
82.18238	0.9
83.04975	8.3
85.02903	100.0
87.04452	1.6
91.04957	1.6
91.05483	21.9
97.02895	7.7
99.04436	1.9
101.06004	1.2
103.03951	1.4
105.07017	1.5
109.02892	1.2
111.04442	4.1
120.08075	0.8
124.11269	1.4
125.02384	1.6
127.03923	7.2
129.05482	45.0
133.06500	1.9
138.34703	0.9
142.12331	1.1
145.04933	2.3
145.06490	1.4
146.08102	0.9
147.06523	21.7
153.01817	9.3
164.09195	7.9
171.02914	1.0
175.07588	2.3
225.07672	0.8
252.35690	0.8
253.10846	1.5
255.08640	1.1
269.06711	1.3
273.09534	1.5
393.08609	1.0
396.16068	0.9
434.14304	1.0
435.08917	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	433.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	5.1
67.05497	6.1
69.07072	23.5
69.31332	15.0
76.54608	1.8
79.05490	4.9
79.44772	2.1
81.07044	11.8
83.08644	2.8
91.05500	6.4
93.07045	8.7
95.05006	1.8
95.08632	8.2
98.98492	3.0
105.07037	17.6
107.08607	9.4
109.10184	7.5
115.05507	1.9
117.07047	4.5
119.08576	23.0
121.10172	5.9
129.07050	4.4
131.08591	10.3
133.10117	9.7
135.11745	2.1
142.07773	2.6
143.08603	7.6
145.10152	10.4
147.11674	8.7
151.07552	4.6
153.01826	2.9
157.10173	13.8
159.11729	10.2
161.13263	4.3
165.09109	2.0
167.08598	2.8
169.10190	5.9
171.08189	2.1
171.11708	7.5
173.13309	10.7
175.14867	11.5
179.08716	1.8
181.10207	5.8
182.10956	3.0
183.11739	6.4
185.13315	4.9
187.14848	7.6
189.16403	4.1
193.10088	3.3
195.11798	6.9
197.13289	7.1
198.66560	1.9
199.14818	12.1
201.16409	1.9
207.11760	7.0
209.13304	6.2
211.14857	7.3
213.16426	7.6
219.11794	3.0
221.13353	5.4
222.14056	2.0
223.14861	7.7
225.16443	5.0
227.18106	2.6
233.13275	5.0
235.14815	5.3
237.16382	3.1
247.14890	4.4
249.16544	4.0
251.17995	2.1
255.43723	1.7
259.14920	2.9
261.16425	4.4
263.18039	5.7
271.06018	85.0
272.06381	4.3
275.18079	5.8
277.19577	5.0
279.21225	2.5
288.18604	2.5
291.21100	2.2
293.15451	2.3
295.17239	2.6
303.21228	7.4
304.21960	2.2
305.22772	3.9
317.19312	2.1
317.22873	6.4
319.24176	20.6
329.22714	2.6
331.24289	14.0
332.24924	2.1
345.26038	6.6
349.21732	6.7
363.23294	4.3
364.23953	8.7
365.24716	5.5
377.24734	24.1
387.30508	14.3
390.25638	3.3
433.11246	3.5
433.31158	100.0
433.36743	8.7
434.32095	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3102
Annotation	4,4'-Diaponeurosporenic acid
Peak:m/z	Relative Intensity
53.03946	1.3
55.05502	4.6
56.38092	1.1
57.07070	2.0
67.05500	5.9
69.07071	21.6
70.09280	5.4
70.95264	1.1
79.05498	5.9
81.07057	11.4
83.08620	4.0
86.34860	1.4
87.72638	1.2
91.05479	6.2
93.07057	8.0
95.04958	2.0
95.08622	11.5
97.50813	1.1
98.98465	4.4
105.07035	17.4
107.08591	9.1
109.10165	5.7
117.06979	2.1
119.04877	1.3
119.08576	18.2
121.10172	7.5
123.11782	1.7
129.07019	2.4
131.08562	10.4
133.10147	10.3
135.11676	3.5
142.07774	3.0
143.08562	5.0
144.09338	1.5
145.10143	12.5
147.11682	6.1
149.05942	1.7
149.13280	2.2
155.08578	4.3
156.09346	2.2
157.10152	11.5
159.11726	10.6
161.13254	3.0
163.14839	1.9
169.10162	6.4
170.10889	2.2
171.11729	9.4
173.13243	14.7
175.14792	8.6
177.16444	1.5
181.10136	3.1
182.10934	1.4
183.11722	5.6
185.13258	4.8
187.11105	1.4
187.14830	5.4
189.16412	5.3
193.10034	3.2
195.11664	7.3
196.12497	1.4
197.13292	8.0
199.14806	7.6
201.16400	2.8
205.10146	1.4
207.11745	5.9
209.13280	5.6
211.14862	5.5
211.41611	1.4
213.16373	10.1
215.18030	1.5
217.10320	1.3
219.11711	3.8
219.13785	1.4
220.12398	1.6
221.13229	6.2
223.14813	5.9
225.16409	3.5
227.18031	2.1
232.12733	2.2
233.13293	5.1
234.14064	1.6
235.14803	6.0
236.15523	1.3
237.16437	3.5
247.14781	6.9
248.15746	1.6
249.16431	4.1
251.17934	2.0
261.16522	4.5
261.22156	1.4
263.17944	5.8
264.18677	1.4
265.19635	1.6
271.06036	32.0
275.17963	6.0
277.19400	6.6
279.21158	1.7
287.17825	1.6
289.19510	4.2
291.21149	4.3
293.15219	1.9
295.16885	2.6
301.19476	2.5
303.20828	6.9
304.21957	1.9
305.22736	1.9
316.21973	1.8
317.22620	8.7
318.23331	2.3
319.24222	25.5
321.18622	1.8
323.20248	3.4
325.21631	1.9
329.22699	1.7
331.24161	16.1
332.24976	2.8
333.25571	1.4
345.25861	7.9
349.21680	7.9
351.23026	2.1
363.23294	5.5
364.24005	10.2
365.24701	4.4
377.24738	23.3
387.30450	12.6
389.32114	1.8
390.25418	2.2
433.31052	100.0
434.31271	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	3.1
55.01873	5.2
55.05514	22.9
56.96556	1.1
57.03438	5.6
57.07077	0.9
58.76810	0.8
59.04980	1.0
62.44325	0.8
63.87346	0.7
65.03922	2.2
66.54004	0.8
67.05508	27.7
69.03423	5.2
69.07065	9.4
71.04993	4.1
71.22100	1.6
79.05497	34.6
81.03416	5.9
81.07058	24.6
83.04971	4.6
83.08626	10.4
85.02901	1.5
85.06532	2.5
91.05485	27.7
93.07050	25.5
95.04970	21.9
95.05437	0.5
95.08607	13.8
97.02866	1.1
97.06539	2.9
97.10172	12.0
98.97596	1.3
100.03156	0.8
103.05466	2.9
105.03405	1.2
105.04531	0.9
105.07036	24.4
107.04958	11.8
107.08601	16.8
108.27303	0.9
109.02884	1.6
109.06519	4.6
109.10177	8.9
111.04483	0.9
111.08078	1.8
112.51326	0.8
115.05470	3.2
116.98612	1.0
117.07027	14.7
119.04958	6.4
119.08581	12.4
121.06524	11.3
121.10157	14.4
123.04436	1.5
123.08064	4.5
123.11755	1.7
125.06001	1.6
125.09634	13.5
128.06223	5.5
129.05536	1.7
129.07007	14.8
130.07788	1.0
131.04935	10.4
131.08569	20.3
131.09488	1.5
132.00908	0.8
133.06529	7.1
133.10104	8.0
135.04416	2.4
135.08052	7.4
135.11699	3.4
137.05978	2.8
137.09621	1.8
141.06992	7.7
142.07797	2.7
143.08571	10.3
145.06488	16.5
145.10153	10.6
147.04443	1.7
147.08055	7.1
147.11708	2.6
149.05937	1.4
149.09618	16.1
149.13228	1.2
151.11212	1.8
153.01826	6.3
153.07014	1.0
153.09105	1.7
154.07729	1.8
155.08536	7.4
157.06528	1.6
157.10144	6.5
159.08095	5.6
159.11707	9.1
161.05991	1.5
161.09590	3.8
161.13281	3.5
163.03889	1.2
163.11218	4.6
165.07034	1.7
166.07793	1.1
167.07063	2.2
167.08589	3.9
169.06451	1.1
169.10149	9.4
170.07239	0.9
171.08090	4.0
171.10281	1.5
171.11687	13.1
173.09653	5.7
173.13316	2.0
175.11185	3.0
175.14828	1.6
177.12708	2.5
179.08582	1.6
181.04955	6.4
181.08653	1.0
181.10184	2.5
183.08113	2.0
183.11729	3.7
185.09648	3.4
185.13272	3.0
187.11168	8.6
187.14856	1.6
189.09142	2.4
189.11215	7.0
189.12788	9.3
191.10759	1.4
193.12314	2.0
195.11711	2.2
197.09689	3.7
197.13341	3.1
199.11215	3.5
199.14903	1.1
201.12779	2.8
201.16437	1.5
203.10622	2.1
205.12155	4.4
207.06558	1.6
207.11760	2.1
209.13312	2.4
211.11153	5.4
211.14848	1.7
212.12035	1.4
213.12796	3.0
213.16492	1.4
215.10707	2.9
215.14401	1.2
217.12134	1.3
221.13376	1.2
222.80382	0.9
223.11273	1.5
223.13324	4.6
225.12721	1.9
227.10812	1.2
227.12823	3.3
229.12286	3.4
229.15799	1.1
231.13838	1.8
233.08180	1.1
233.11560	1.4
239.14418	1.6
243.13864	3.5
249.14983	1.4
257.15445	2.3
261.14890	1.6
267.15988	2.3
271.06021	100.0
272.06372	2.9
273.14890	2.5
275.16580	1.3
295.20605	2.6
305.19214	2.2
313.21536	4.0
314.10770	0.9
317.03305	0.9
323.20047	17.2
335.18530	0.9
341.21124	67.8
342.21793	1.4
359.22220	4.7
377.23309	1.5
379.22800	1.5
387.30884	0.8
397.23959	2.8
415.24829	24.4
433.11142	2.4
433.25909	45.4
433.30991	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	433.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15535	2.9
55.05499	5.4
65.59800	3.4
69.03426	6.4
70.06599	4.3
71.61205	5.6
81.03436	6.7
83.76537	2.9
85.02901	11.1
97.02892	6.1
109.02880	7.1
114.80431	3.6
124.11171	4.0
126.82829	3.1
127.03928	26.9
143.03383	5.3
153.01839	100.0
153.02898	4.9
171.02913	12.4
195.02869	3.7
205.04851	5.3
271.05957	46.9
271.08307	4.0
271.14133	4.5
297.06030	5.0
315.07098	12.0
381.05518	3.7
384.80392	3.4
433.15878	18.0
433.24194	6.7
450.24225	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	433.1836
Annotation	CHEBI:67630
Peak:m/z	Relative Intensity
55.05508	0.5
56.75301	0.5
56.96553	0.4
67.01859	0.6
69.03436	1.0
69.07078	0.6
70.53283	1.0
70.53646	1.0
71.04989	0.7
79.05466	0.5
81.03413	0.6
81.07070	1.4
82.33977	0.4
85.02961	0.8
91.05498	0.8
93.07045	1.0
99.04442	0.5
105.07027	0.5
109.02875	0.6
109.06516	0.6
109.10157	0.5
117.07030	0.6
119.04925	2.2
119.08582	0.5
121.02894	0.8
131.08560	0.6
133.06491	0.6
135.04543	0.6
140.91310	0.5
142.12619	0.5
145.02820	0.5
145.10176	0.5
153.01820	8.1
163.03961	0.6
170.42052	0.4
181.04942	1.0
182.46529	0.5
183.08015	0.9
185.04254	1.3
210.06259	0.5
258.05295	0.7
271.06015	100.0
271.13013	60.9
272.06339	3.5
272.13330	0.8
286.04590	1.1
287.05481	35.0
288.05692	1.3
290.05627	0.5
290.88062	0.5
301.07053	3.3
433.11459	6.0
433.18304	72.2
434.18683	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1134
Annotation	Kaempferol-7-O-alpha-L-rhamnoside
Peak:m/z	Relative Intensity
54.58136	0.1
57.03403	0.2
66.20934	0.1
67.01873	0.5
67.05496	0.2
68.99780	0.4
71.04967	0.4
79.05479	0.2
81.07030	0.4
81.24104	0.1
83.08595	0.2
85.02910	0.6
86.41866	0.1
87.36397	0.1
89.03930	0.1
91.05447	0.1
93.07017	0.2
95.08588	0.3
100.37668	0.1
105.07017	0.2
107.08578	0.2
109.02861	0.3
117.03375	0.2
119.04956	0.2
119.08548	0.4
127.03955	0.1
133.10085	0.1
135.04428	1.7
137.02367	0.6
139.91270	0.1
147.11609	0.1
153.01834	6.3
161.02341	0.6
161.13266	0.2
165.84283	0.1
167.06969	0.1
171.02899	0.3
179.03380	0.3
181.04958	0.3
197.13432	0.1
199.14700	0.1
213.05450	0.1
241.04941	0.5
245.04579	0.1
263.05515	0.1
269.04425	0.5
271.06015	9.7
271.19064	0.2
283.60648	0.1
285.07559	0.2
286.04730	0.2
287.05499	100.0
288.05872	1.4
330.46759	0.1
433.11316	17.2
434.11795	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1133
Annotation	Isovitexin
Peak:m/z	Relative Intensity
55.01886	1.1
56.60370	1.1
57.03437	1.3
59.52513	1.0
62.40173	1.0
68.99809	1.2
69.03427	1.9
69.30686	3.3
69.31107	6.6
72.04519	1.1
77.16452	1.0
81.03419	2.3
85.02901	2.7
91.05478	1.3
97.02872	1.9
97.38506	1.0
109.02901	1.7
119.04959	3.2
121.02880	19.3
145.02817	1.7
149.02370	1.6
149.07455	2.4
151.07043	3.1
153.01810	2.1
163.03883	4.4
165.01846	15.2
167.03365	2.6
177.01924	1.8
181.04942	2.0
183.02859	3.8
187.03905	2.5
191.03448	1.4
192.06531	1.4
195.02881	1.3
213.05562	1.8
217.04909	2.1
229.05020	1.4
233.04422	1.3
255.06299	1.8
256.07288	3.7
267.06570	7.3
271.06015	7.7
271.09149	2.8
279.06647	1.9
281.08151	6.4
283.06027	100.0
284.06796	19.2
295.06012	12.7
295.09323	2.6
297.04413	1.6
297.07574	7.8
305.08035	2.7
307.05893	2.3
309.04141	2.0
309.07590	20.1
311.05545	1.8
313.07080	78.3
314.07373	2.2
321.07492	2.4
323.05493	1.9
323.09164	16.6
325.07010	2.0
327.08621	1.7
333.07684	2.7
337.07095	38.9
343.08377	2.3
349.07104	10.2
351.08633	3.4
358.11237	1.0
361.06979	8.7
367.08112	23.2
379.08099	19.8
397.09235	26.5
412.80969	1.1
415.10236	19.8
433.11383	24.6
433.20462	12.4
434.11798	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
50.32764	0.1
50.64363	0.1
59.73595	0.2
65.03970	0.2
65.91808	0.1
67.01885	0.8
68.99783	0.5
70.14680	0.8
87.56257	0.2
91.05465	0.4
119.04942	2.3
121.02866	0.6
129.01831	0.2
145.02856	0.7
153.01828	5.6
160.12492	0.2
163.03909	0.4
171.02914	0.3
203.06993	0.2
225.05460	0.4
229.04961	0.4
232.68347	0.2
243.06639	0.3
271.06015	100.0
272.06363	1.8
390.35272	0.2
404.34427	0.2
433.11261	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2018
Annotation	Oxymaistemonine
Peak:m/z	Relative Intensity
53.03940	0.9
55.01866	1.2
57.07048	0.8
64.97016	0.8
67.05497	1.7
67.78975	0.9
68.05020	4.4
68.99767	1.2
69.03416	1.6
70.06596	3.1
70.75037	1.7
79.05479	4.7
81.03429	1.5
81.07050	5.1
82.06582	1.0
83.01348	4.8
84.08138	1.2
85.02891	2.7
91.05480	2.9
93.07011	2.2
95.04984	1.7
95.08607	1.9
96.08125	1.3
97.02879	2.0
98.09695	3.6
104.62103	1.0
105.07016	2.4
107.04948	1.4
107.08548	2.3
109.02869	1.0
109.10144	1.0
109.28681	0.8
119.04916	2.0
120.08106	0.9
121.06502	3.1
121.10144	1.9
123.04430	31.8
124.07581	1.3
124.11237	7.6
127.03918	3.1
131.04974	1.0
131.08574	7.2
135.04408	3.9
137.05962	1.3
139.03909	2.8
143.87813	0.8
147.04428	7.4
147.08073	0.9
149.06009	2.5
149.09631	9.9
151.03914	19.9
159.08052	2.6
160.91130	0.9
161.05978	2.6
162.06799	1.2
163.03857	5.3
164.10728	1.6
165.05544	5.2
165.06746	0.9
173.06020	1.9
175.07559	1.8
177.05507	23.0
177.09109	63.7
178.19377	0.8
179.07089	4.2
185.89369	0.9
189.05450	3.6
191.07001	1.3
201.09070	2.3
202.08578	1.3
203.06985	1.4
216.10202	4.2
218.11807	8.4
219.10104	1.5
236.12791	6.0
242.11765	2.5
242.74515	0.9
244.13382	10.4
245.11632	2.4
248.12770	3.0
262.14383	15.7
270.17175	1.0
271.06036	1.1
280.15427	29.1
285.07593	2.1
309.11423	1.4
311.09064	5.7
370.16602	3.8
388.17535	2.7
396.17978	2.1
414.19168	18.1
432.20163	100.0
433.20468	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	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	4.0
58.21383	2.3
61.43206	2.5
66.63021	2.2
67.05504	11.8
69.03432	2.9
69.83856	13.8
70.06570	2.5
79.05505	3.1
81.03425	3.2
81.07054	4.1
82.06583	2.8
82.36659	3.0
84.08139	4.5
84.12641	2.2
85.02902	9.3
85.06549	10.9
86.09695	2.7
89.06033	3.0
90.04656	2.6
91.05464	5.1
93.07043	6.3
95.08040	4.1
95.08617	64.3
97.02866	4.0
98.09682	5.9
98.20783	3.5
101.05975	2.6
105.07035	6.9
107.08598	8.1
109.06521	2.8
109.10173	3.4
110.09704	2.6
112.78677	2.5
113.06007	12.1
119.08566	15.5
121.10162	7.5
123.04443	3.7
123.08080	25.1
123.11763	3.9
124.04708	2.8
124.11229	33.2
124.12051	4.8
127.03893	8.3
135.11705	11.1
135.73972	2.6
137.09499	2.9
147.04459	4.3
147.11693	7.6
148.12074	3.6
149.09619	24.9
151.07579	3.4
151.14818	2.6
153.01767	2.9
161.13293	13.6
163.11221	5.6
165.05486	4.9
165.12775	5.9
179.14333	3.0
180.10133	4.2
185.46576	2.5
189.12744	18.4
207.13815	100.0
208.14182	4.6
219.12572	2.8
225.14911	5.0
235.09598	3.2
270.13492	5.0
271.06042	7.6
280.14557	3.2
414.11942	2.8
422.14389	2.6
432.19061	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	433.1134
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
61.02922	0.4
61.05796	0.2
67.01852	0.6
68.99794	0.4
69.03429	1.2
69.07090	0.4
70.06595	2.2
71.61153	0.2
81.03402	0.5
84.08138	0.3
85.02904	2.7
86.09703	0.7
87.60002	0.2
91.05473	0.6
97.02896	0.9
98.09663	0.3
99.04478	0.2
109.02925	0.4
112.66768	0.2
119.04952	2.3
120.08083	0.6
121.02876	0.9
124.11230	0.5
127.03946	1.1
130.06509	0.3
145.02840	0.6
145.04869	0.4
147.11586	0.3
153.01840	6.0
163.03960	0.5
168.00511	0.3
171.02852	0.7
172.42784	0.2
223.10747	0.3
225.05443	0.4
271.06018	100.0
272.06439	1.7
314.82697	0.3
320.15955	0.7
351.64627	0.2
423.27054	0.3
432.29413	0.6
433.10001	0.4
433.15134	0.5
433.29968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.71271	0.2
56.96572	0.5
58.99590	0.5
67.05494	0.5
69.03416	0.5
69.95403	1.0
76.02226	3.1
76.03992	0.2
79.05484	0.2
81.03428	0.2
81.07009	0.3
82.06573	2.0
84.04507	2.1
85.01121	0.9
85.02894	0.6
86.09691	0.3
92.21638	0.2
96.08128	2.1
97.02918	0.4
98.97580	1.4
102.03754	0.7
102.05524	0.6
110.97607	0.4
112.99146	0.3
116.01697	0.6
116.98637	0.5
119.01947	0.2
124.11231	100.0
125.11612	1.1
127.03883	0.2
128.98636	0.3
130.05014	0.3
142.03168	0.2
143.00125	0.2
143.01865	0.3
144.01167	0.4
153.01793	0.3
155.01974	0.3
158.09967	0.8
158.99617	0.3
162.02213	1.1
171.04970	0.3
179.04848	2.5
201.00726	0.2
219.01797	0.8
221.05070	0.4
233.05887	0.5
237.02800	0.6
244.99657	0.3
279.03781	0.3
279.09320	0.3
302.15344	0.6
303.01422	0.3
308.09103	2.8
364.13174	0.2
371.02771	0.3
431.10077	0.3
431.15222	0.3
431.19846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.05022	0.4
58.99582	0.4
60.75814	0.2
67.05497	0.5
68.05041	0.3
69.03422	0.3
69.38316	0.2
69.59794	0.8
69.60226	0.6
70.06592	0.4
70.25960	0.2
76.02226	2.8
76.03977	0.2
82.06580	2.1
84.04506	2.3
84.08124	0.2
85.01122	0.9
95.07326	0.2
95.08619	0.3
96.08134	2.2
98.09690	0.4
98.20721	0.3
99.05583	0.3
102.03762	0.9
102.05545	0.6
113.88782	0.2
116.01670	0.9
124.11234	100.0
125.11573	1.2
127.03939	0.3
130.04987	0.5
142.03203	0.3
144.01180	0.6
153.06570	0.2
157.34274	0.2
158.10033	1.0
162.02238	1.7
179.04839	2.1
208.63303	0.2
222.08388	0.2
233.05922	0.7
262.95123	0.2
272.21445	0.3
302.15256	0.5
308.09134	2.5
431.04456	0.3
431.10257	0.3
431.19711	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	431.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01862	0.5
56.73225	0.3
59.34388	0.3
67.05508	0.4
69.03426	1.1
69.06713	0.5
69.07072	7.9
71.04996	0.6
71.34500	0.7
73.06548	0.7
79.05510	1.5
81.03415	4.1
81.07070	0.4
85.02901	1.0
86.09698	0.3
96.09026	0.3
97.02860	1.7
97.06534	2.7
98.97586	0.6
99.04440	0.5
109.02882	2.9
115.07582	1.0
120.58414	0.4
123.64486	0.3
123.65411	0.3
124.11259	0.3
125.05989	3.1
127.03922	100.0
128.04250	1.2
137.05873	0.3
143.07030	7.1
145.04956	0.4
150.95183	0.4
150.96495	0.3
161.08102	3.4
251.09114	0.4
269.10260	0.6
287.11459	1.7
431.17163	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	430.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96576	1.7
69.03423	5.9
70.06597	3.5
70.17094	4.1
76.59399	1.4
79.07770	1.4
81.03421	1.9
82.06596	3.6
84.04494	1.8
84.08163	6.0
85.02917	3.7
94.06564	1.9
96.08130	3.8
97.02908	2.0
98.09705	4.4
98.20780	1.6
98.97587	8.3
109.02927	1.8
110.97596	2.7
112.99176	1.6
116.98659	3.0
119.87676	1.7
120.08140	1.9
124.11237	100.0
125.09674	3.4
126.12791	1.7
127.03918	13.2
128.98619	2.0
136.06203	25.6
136.07237	2.7
139.03964	2.1
142.12279	45.3
145.04823	2.0
154.05002	6.9
158.09987	2.0
159.47739	1.4
165.05478	4.2
182.99721	4.8
201.00719	5.4
202.01141	1.7
219.01756	4.1
237.02765	2.2
250.14494	2.2
268.15475	8.1
280.08279	1.8
368.16479	2.2
371.02744	3.1
389.03870	4.5
412.19949	3.6
430.20459	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	430.3529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03973	4.2
55.05510	6.6
56.05022	5.5
60.04536	3.7
61.02887	4.3
65.03960	5.1
67.05505	11.6
67.14260	4.2
69.07033	5.2
71.04982	6.5
71.62113	4.6
71.75396	4.1
79.05474	13.9
80.04977	5.3
81.07054	18.7
82.06557	4.9
91.05469	8.1
93.07056	26.8
94.06564	20.8
95.08606	28.2
97.06544	4.5
103.41003	3.8
104.42426	4.1
105.07013	12.2
107.07386	5.7
107.08591	5.9
109.10117	4.6
110.09649	8.6
111.08068	12.0
122.09683	33.7
123.08055	26.3
128.10762	36.2
137.21938	4.2
140.10709	100.0
141.09076	11.1
158.11810	7.6
237.43744	4.6
261.21652	3.9
272.25928	5.9
382.33035	5.2
394.33112	8.3
412.33850	14.0
430.33829	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	430.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47144	4.3
57.07076	17.0
61.93076	4.6
67.05502	8.0
67.13242	4.3
71.08624	13.0
71.52819	6.4
74.94221	4.0
81.07054	13.2
85.10168	7.0
87.66125	4.3
95.08607	11.2
97.10146	4.5
103.22253	5.0
107.08629	7.6
109.10187	8.1
121.06499	6.2
130.18211	4.4
134.64946	5.7
135.08069	5.4
137.09630	13.2
145.91522	4.5
149.09602	8.2
149.71628	5.3
163.11197	19.0
164.08328	8.9
164.11534	9.3
165.09131	100.0
166.09456	32.8
177.09120	4.9
191.10616	9.6
201.21445	4.9
205.12233	10.3
220.14148	5.0
286.34311	5.4
287.72504	5.5
306.95325	5.0
350.53571	5.6
361.33118	5.1
425.66849	5.5
430.32208	9.0
430.37646	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.6
55.01859	0.9
57.03432	1.5
59.31288	0.5
60.04520	0.5
61.01142	3.0
61.02925	1.8
62.72595	0.5
65.03932	2.5
69.03423	5.1
70.06579	0.5
70.75089	0.7
70.75437	1.0
71.04980	1.1
72.04519	6.9
72.08145	0.6
73.02911	1.0
78.03797	12.2
81.03416	3.1
85.02909	11.5
86.06072	1.1
97.02888	5.1
99.04469	0.8
102.03764	20.2
103.02161	1.3
108.04470	0.8
109.02880	1.5
111.04427	0.7
114.03756	1.5
120.04825	2.7
121.02866	100.0
124.11219	0.5
127.03905	3.1
129.04239	0.5
131.06386	13.9
132.04787	10.4
136.07602	0.8
138.05527	1.1
145.04961	1.9
149.07439	90.2
150.05492	6.8
158.78641	0.4
164.07089	0.8
167.68654	0.5
173.73227	0.5
191.08508	5.2
192.06560	26.3
198.05811	0.8
227.08398	2.5
251.08507	0.9
257.09558	0.6
269.09549	81.4
270.10162	0.6
275.10645	1.4
311.10617	5.1
347.10608	3.4
395.12543	2.1
431.14722	1.7
431.22083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	1.1
55.01844	0.7
55.05464	0.9
56.04977	3.4
56.96519	1.1
60.70828	0.7
64.41119	0.7
65.03912	0.9
69.03370	3.6
70.06540	2.3
71.04935	1.2
71.61422	0.8
72.45887	0.7
77.89555	0.7
79.05426	1.1
81.03352	2.7
81.06984	3.0
82.06536	1.6
83.01308	1.0
84.08157	3.5
85.02911	4.9
93.03339	1.3
97.02895	3.7
98.09697	4.4
101.02325	2.4
109.02814	2.0
116.07021	2.3
119.04926	1.1
124.10390	0.7
124.11219	8.9
126.12745	2.0
127.03097	0.7
127.03928	10.4
133.10043	1.0
137.05988	1.0
139.03842	1.9
142.12305	5.7
147.04318	2.1
151.09879	0.8
153.01761	2.9
153.05495	4.6
153.06496	1.1
157.04921	2.3
162.09296	1.0
163.07452	1.6
165.05490	17.9
165.09129	4.2
167.07011	1.1
180.06488	1.6
190.08566	2.1
190.12247	0.9
191.06960	2.2
201.50250	0.7
207.10162	2.8
208.09689	18.0
222.11168	1.3
232.13333	0.9
233.11734	4.8
247.02252	1.0
250.14380	7.1
259.02524	1.0
268.15454	100.0
269.15823	1.6
277.03479	1.1
303.01358	3.1
304.01688	2.4
360.03036	0.8
412.19522	1.0
430.20895	48.6
431.20828	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
56.68328	0.8
62.79944	0.9
67.05508	1.0
68.95759	0.8
69.03429	10.1
70.06600	4.7
71.11885	0.8
81.03428	1.2
81.07047	1.2
82.06579	2.1
84.08150	2.0
85.02906	1.4
95.04931	1.1
96.08113	2.2
98.09693	84.9
98.20710	2.3
107.04967	0.8
108.55056	0.7
119.04930	0.9
120.37325	0.7
121.02878	1.7
123.04436	3.5
124.11231	100.0
126.12801	1.3
127.03938	1.3
135.04468	2.8
137.05885	1.0
139.03903	27.6
141.05496	2.7
149.07457	2.0
151.03925	0.9
153.05475	3.9
159.04463	0.8
163.03899	9.0
165.05479	75.4
177.05499	4.9
181.04984	4.2
195.06523	2.8
198.58151	0.8
223.06017	1.6
250.14459	1.2
262.14398	2.8
268.15509	1.7
269.09576	1.2
333.09689	26.9
348.46173	0.8
430.18277	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	430.1859
Annotation	Periglaucine D
Peak:m/z	Relative Intensity
55.05508	2.9
56.05040	16.9
56.59555	1.7
62.16485	1.5
69.03436	4.1
70.06599	15.3
71.61040	2.5
79.05493	4.3
81.07038	4.6
82.06570	5.7
83.01329	3.6
84.08156	3.3
85.02885	2.8
86.09714	13.6
91.05473	3.8
93.07049	2.2
95.04908	2.3
95.08627	2.9
96.08136	3.3
97.06513	1.7
98.09683	11.5
100.07619	4.0
105.02728	2.0
106.25948	1.9
107.08588	2.4
108.08120	1.8
109.10211	2.1
115.35947	2.0
116.07154	1.9
117.07021	1.7
119.08574	2.8
121.06503	5.1
123.04433	54.8
124.11239	16.4
127.03970	4.3
129.07028	2.1
131.08571	5.4
135.04463	3.3
138.05493	3.1
139.03934	4.7
142.12296	14.0
147.04424	11.2
149.05971	3.3
149.09627	8.8
151.03899	7.2
159.04407	2.9
161.06030	5.1
163.03902	5.7
164.10718	3.3
165.05478	42.8
166.08571	2.2
173.06006	3.9
174.05467	7.3
175.07603	2.6
176.10677	2.2
177.05479	53.1
177.09084	33.1
189.05516	9.1
201.09123	8.1
202.08611	6.9
207.13837	2.6
218.11749	9.5
219.10155	3.1
220.09685	37.9
229.05035	2.8
229.15456	2.5
232.09737	1.9
242.11874	9.3
243.10220	5.8
248.12816	2.3
250.14308	2.9
260.12845	20.6
268.15533	5.9
278.13882	95.0
279.14407	1.9
290.13895	10.1
311.09116	9.2
329.10025	3.0
370.16550	3.5
372.14383	9.1
412.17426	21.4
430.18588	100.0
431.18866	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	430.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74032	0.6
53.03946	1.4
55.05521	0.7
69.03425	2.3
69.07080	1.6
69.86884	3.0
70.06590	1.2
71.04993	1.0
73.70235	0.5
75.39780	0.5
79.05496	1.1
79.16876	0.7
81.03417	3.7
83.04978	0.6
84.08147	0.9
85.02905	2.6
86.09692	0.7
91.05482	1.2
94.02911	0.9
95.08589	1.0
97.02893	12.6
98.97579	1.5
99.04459	1.8
105.07040	0.9
109.02888	5.3
109.10162	0.8
112.03976	34.9
119.08625	0.8
122.02409	2.3
127.03923	14.4
134.06012	0.9
137.05861	0.6
140.03438	100.0
141.03859	0.5
161.61238	0.7
182.04503	2.2
210.09206	2.0
212.70865	0.6
218.91219	0.7
230.04723	0.7
236.05579	0.7
248.05580	3.2
253.15553	0.7
266.06616	21.8
268.16968	8.6
269.04367	0.8
279.24704	0.6
284.07813	3.0
287.05524	1.5
289.03589	0.8
307.02551	1.5
325.03604	1.5
342.06216	0.9
352.04602	1.7
370.05594	4.8
412.10431	2.6
430.11130	3.3
430.21527	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3729
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05519	3.4
56.70402	0.7
57.07079	16.3
61.56686	0.6
67.05497	3.8
69.07074	4.0
71.08636	13.0
73.74030	0.8
79.05481	2.0
81.07067	6.2
83.08622	3.0
85.10187	6.4
91.05461	2.2
93.07063	2.1
95.08620	7.6
97.10178	2.5
98.20694	1.7
105.07037	2.0
107.08588	6.6
109.10169	5.7
111.04443	1.1
111.11724	1.6
114.94947	0.7
117.06994	0.8
119.08577	3.2
121.10138	2.4
122.07294	1.4
123.08057	1.1
123.11720	1.0
131.08554	2.4
133.10141	1.6
135.08052	4.5
135.11703	1.9
136.08881	1.0
137.09605	8.9
139.07541	2.3
142.71980	0.7
145.10115	1.5
149.09615	14.6
159.08078	1.7
159.11697	3.0
162.06760	0.9
163.11192	20.6
165.09123	100.0
173.09618	1.7
173.13240	2.1
175.07683	1.1
175.11177	7.0
176.08423	1.7
177.09113	13.9
177.12706	1.0
179.10689	1.8
186.10368	0.9
187.11186	2.8
189.09073	1.0
189.12697	1.3
190.09920	1.1
191.10687	10.5
193.12439	0.9
201.12680	4.0
203.10686	2.1
203.14302	1.3
204.11504	1.0
205.12265	11.5
215.14148	1.6
219.13834	6.6
233.15379	3.9
247.16843	1.3
261.18399	1.1
275.19907	1.2
289.21652	2.0
298.57745	0.8
303.23087	2.2
317.24600	1.7
327.00415	0.7
331.26205	1.3
338.56827	0.7
345.27802	0.9
373.31055	1.6
387.36093	0.9
401.34082	3.1
411.36075	2.3
429.32092	3.0
429.37286	43.5
430.37875	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.373
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05507	2.8
57.07083	18.9
59.35229	0.7
67.05507	4.7
69.07059	3.3
71.08633	11.1
71.39143	1.0
73.04736	0.7
79.05486	2.4
79.51636	0.7
81.07072	7.4
83.08625	2.6
85.10194	5.1
91.05479	2.8
93.07050	1.9
93.16055	0.7
95.08611	7.7
97.10168	2.1
105.07013	1.7
107.08606	5.3
109.06512	1.2
109.10159	6.3
111.04414	1.1
111.11723	1.3
117.07004	1.3
119.08587	4.1
121.10150	3.8
122.07271	1.5
123.08083	1.2
123.11678	1.0
123.76434	0.7
131.08569	2.4
133.10081	1.7
135.08086	6.8
135.11694	2.2
137.09628	9.1
139.07547	1.8
145.10112	2.0
149.09641	14.4
149.13229	0.8
151.07545	1.8
155.08444	0.7
157.10178	1.0
159.08087	0.8
159.11713	3.1
161.09538	1.3
163.07513	0.9
163.11197	22.1
165.09128	100.0
166.09464	1.0
172.08922	0.8
173.09576	2.3
173.13298	2.2
175.11206	4.2
176.08374	1.8
177.09106	13.8
177.12791	1.9
179.10728	1.6
182.73409	0.9
186.10403	1.6
187.11194	3.0
187.14871	1.8
189.12686	1.7
190.10017	1.3
191.10683	11.6
199.11076	1.0
201.12814	2.9
203.10703	1.8
203.14299	1.4
204.11461	1.2
205.12257	10.4
215.14377	2.6
219.13788	5.3
229.15668	0.8
233.15384	3.4
247.16991	2.0
261.18384	1.2
275.20163	1.1
289.21707	2.2
303.23227	1.8
317.25003	1.6
331.26254	0.8
359.02890	0.9
359.29599	1.0
373.31171	1.2
401.34045	2.4
411.36118	2.5
429.32532	1.3
429.37280	37.9
430.37686	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	429.3731
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05509	1.2
57.07079	4.3
67.05493	3.4
69.07069	1.9
70.80857	1.3
70.81224	1.7
71.08626	3.4
74.43666	0.7
81.07069	4.9
83.08594	2.2
85.10155	1.7
93.07044	1.1
95.08591	3.2
95.40106	0.7
97.10146	1.0
107.08591	1.3
109.10177	5.3
119.08561	2.4
123.11741	1.0
131.08578	1.1
133.10118	1.2
135.08054	1.8
137.09619	9.9
145.10097	1.0
149.09616	4.6
151.07561	1.0
159.11694	2.9
160.95001	0.7
163.11234	4.4
163.12347	0.8
164.08383	1.0
165.09131	100.0
166.09425	1.3
176.08279	1.6
177.09151	4.2
177.12749	1.1
179.10568	1.4
187.11270	2.0
190.09895	2.1
191.10632	3.7
201.16478	0.9
205.12270	23.2
315.70718	0.8
333.62466	0.9
429.31796	3.1
429.37292	15.6
430.38098	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	429.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	8.9
55.01865	2.8
55.05502	13.3
57.03441	16.6
61.02922	2.9
67.05501	16.3
69.03430	37.4
69.07066	4.3
71.01373	1.6
71.04978	7.2
79.05495	15.2
81.03418	78.0
81.07060	19.0
83.04981	25.4
83.08623	18.7
85.02908	21.8
85.06551	1.5
87.04491	2.5
90.98749	1.4
91.05481	16.3
93.07050	12.9
95.04967	17.2
95.08603	10.3
97.02892	50.5
97.06533	3.2
97.10165	4.3
99.04443	7.5
99.95015	1.5
105.07044	16.6
107.04968	3.6
107.08591	10.0
109.02869	14.3
109.06545	2.5
109.10164	6.3
111.04459	9.9
111.08094	8.5
113.06008	1.4
119.08569	17.5
121.06564	2.5
121.10139	6.5
123.08059	1.8
123.11691	2.2
123.67570	1.4
125.09604	2.4
127.03897	12.2
129.05490	6.1
129.07019	6.8
131.08595	9.1
133.06499	2.9
133.10123	7.2
135.11736	3.5
145.05060	2.0
145.10103	2.4
147.08055	2.7
147.11684	13.5
149.09630	4.3
149.13266	1.8
153.12840	1.6
157.10106	10.4
163.11147	3.2
165.12730	2.9
175.11195	11.3
175.14684	2.4
177.16386	2.6
181.12263	3.4
183.06509	2.6
183.69048	1.5
191.10649	3.9
193.12241	60.7
200.86327	1.5
203.17958	1.7
206.16193	1.7
208.60970	1.8
209.11734	1.7
211.13287	100.0
227.12859	4.8
229.14383	4.2
249.14914	6.0
265.14429	2.4
269.34128	1.7
285.17102	5.4
337.16556	2.3
355.17670	4.0
411.20639	1.8
429.21228	55.2
429.32355	8.2
430.21451	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2101
Annotation	Unknow
Peak:m/z	Relative Intensity
64.94349	0.5
69.03426	0.6
69.07069	0.7
71.61249	0.7
79.05464	0.6
81.03413	0.5
81.07042	2.2
85.02899	1.3
86.09700	0.6
90.95638	0.5
91.05437	0.9
93.07053	1.0
95.04951	0.6
95.08621	1.0
97.02898	0.6
97.06531	0.5
99.08095	1.2
105.07004	0.7
109.02798	0.7
109.06492	0.7
109.10146	0.6
121.02857	1.8
121.10190	0.8
127.03957	2.6
133.10094	0.6
137.05933	0.7
145.19292	0.4
147.04362	0.5
147.11574	0.5
178.34441	0.5
311.14166	0.5
329.15533	0.6
429.20901	100.0
430.21304	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	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	7.8
55.01873	3.8
55.05507	13.0
57.03434	16.5
61.02912	1.9
61.99743	1.4
66.87270	1.5
67.05515	13.2
69.03435	36.7
69.07072	5.9
70.72422	3.9
71.04998	7.0
73.02906	2.9
75.99715	1.7
77.03967	2.0
79.05493	12.5
81.03419	86.5
81.07059	14.1
83.04982	21.7
83.08623	19.1
85.02909	25.9
87.04462	3.6
90.98189	1.4
91.03873	1.6
91.05470	19.4
93.07047	14.1
95.04977	20.0
95.08590	10.6
97.02901	50.5
97.06561	3.6
97.10178	4.1
99.04448	6.9
105.07034	13.9
107.04957	3.5
107.08616	5.6
109.02887	13.1
109.06503	4.6
109.10167	3.5
111.04437	9.9
111.08081	7.0
117.07074	2.6
119.04970	1.9
119.08598	14.3
121.06482	1.6
121.10149	8.9
122.10517	1.7
123.11727	1.8
125.09647	2.5
127.03920	12.7
129.05487	6.4
129.07024	6.5
131.08548	7.9
133.06519	2.7
133.10144	8.3
135.11641	2.6
137.09584	1.9
137.66595	2.0
145.10132	2.7
147.08034	1.7
147.11707	14.4
149.09642	6.4
152.64111	1.4
153.12747	2.0
157.10138	10.7
159.08073	1.7
159.11723	2.2
163.11165	4.1
163.14803	1.8
165.12772	4.0
175.11211	13.0
175.14781	1.7
181.12222	2.6
191.10678	2.5
193.12234	57.5
211.13303	100.0
227.12811	4.4
229.14375	5.3
249.14923	5.8
257.52655	1.7
257.72000	1.7
258.82013	1.5
273.43054	1.5
285.17032	8.9
355.17587	5.4
391.42322	1.6
411.20288	2.9
411.35797	2.1
429.21255	64.0
429.31598	10.5
430.21417	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	429.2096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.01870	0.6
67.05497	1.5
69.03434	1.6
69.07056	1.2
69.91489	2.3
70.06599	0.6
71.04993	2.8
81.03432	2.5
85.02903	3.2
86.09703	0.7
95.04963	1.7
97.02898	3.5
98.20821	1.0
98.97621	0.6
99.04443	3.2
100.35207	0.5
105.06998	0.6
109.02879	6.4
109.08440	0.6
113.06013	2.2
123.04446	1.5
127.03921	88.0
128.04277	1.1
141.05466	4.3
145.04979	3.6
152.07123	1.0
153.01854	0.9
159.06532	3.4
213.07480	0.7
249.14714	1.6
259.07919	1.3
267.11786	0.6
267.13110	0.5
267.15710	3.2
285.09836	1.3
303.01303	3.3
401.01956	0.5
411.20062	6.1
429.21039	100.0
430.21478	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	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01865	1.0
55.05510	0.8
62.71833	0.4
67.05515	2.7
69.03419	1.3
69.07048	0.5
71.61871	0.8
74.10767	0.4
79.05485	1.6
81.03410	2.9
81.07059	4.2
83.08609	0.9
85.02888	1.5
93.07019	0.8
95.08111	0.6
95.08615	6.4
97.02901	1.3
97.06535	6.0
98.97563	0.7
99.04491	0.5
105.07038	0.8
109.02873	1.7
109.10191	0.5
111.08059	1.3
123.08070	4.4
127.03920	100.0
128.04254	0.9
141.09096	4.3
148.00600	0.5
202.50424	0.5
232.07076	7.7
239.56743	0.5
267.11682	0.8
267.15799	0.9
268.36957	0.5
271.06125	1.2
285.13950	0.5
429.15131	10.3
429.20313	13.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	16.2
55.01856	3.8
57.03411	1.2
62.02529	1.1
62.93955	1.2
69.03422	5.6
69.53367	7.7
71.04971	1.9
81.03417	53.8
85.02911	1.2
88.04375	1.1
97.02900	6.6
98.20685	2.0
99.04474	1.3
109.02880	100.0
127.03915	22.7
127.19118	1.4
131.04948	1.6
147.04433	1.7
147.11601	1.0
153.01804	1.6
153.06963	2.6
157.36896	1.2
163.96793	1.4
165.05539	1.5
171.96007	1.2
173.02420	4.1
181.06479	3.8
187.03934	1.9
189.01912	1.4
191.03384	2.9
201.01823	7.6
203.03429	2.6
205.04964	1.5
209.06010	3.6
211.03934	1.2
215.03282	1.6
217.01410	2.5
219.02779	1.6
225.05464	1.3
229.01315	6.1
231.02901	4.7
237.05528	4.1
243.02829	2.0
247.02434	4.8
253.04987	2.0
255.02998	1.3
257.00775	12.5
257.04593	1.3
259.02487	6.2
261.03918	2.1
262.67645	1.1
265.05014	4.7
273.00351	1.2
275.01816	11.1
276.02646	7.4
281.04401	3.1
283.06009	2.3
285.00323	10.0
285.03500	1.9
287.01920	4.0
289.03400	13.9
293.04437	4.2
297.03928	2.8
299.01901	2.9
303.01340	71.2
304.01947	2.2
309.03833	1.4
311.05408	2.3
312.99866	3.2
313.03375	2.8
315.01422	13.9
315.04840	2.3
319.21695	1.2
321.03955	4.4
325.03564	1.9
327.01678	1.5
328.99298	15.1
331.00867	26.3
337.03387	3.7
339.01260	2.8
339.05035	8.4
340.99158	1.9
341.02911	4.7
349.03336	2.0
353.02875	2.4
355.04480	4.1
357.06015	3.4
365.02859	6.4
367.04633	8.7
381.02200	2.0
383.04007	4.4
385.05389	2.7
393.02411	3.8
411.03583	9.4
429.04669	8.8
429.12512	2.2
429.21750	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	428.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
56.51362	0.7
57.03429	1.5
59.94178	0.8
61.02916	2.5
69.03439	6.7
70.06596	1.9
71.04953	1.0
71.18898	0.6
71.60934	1.1
71.61314	0.9
73.02913	1.4
81.03425	4.3
81.07056	1.1
82.06559	1.3
84.08140	0.8
85.01139	2.2
85.02906	7.6
87.04470	2.5
91.05493	1.3
91.61682	0.8
92.18523	0.7
93.07049	0.8
94.06579	1.4
97.02901	3.4
98.09699	0.9
99.04472	1.1
99.99466	0.7
105.07032	2.2
107.08611	2.1
108.08131	0.7
109.02881	3.0
119.08571	0.7
121.10114	1.1
124.11224	2.3
125.04171	1.0
126.03748	14.4
127.03917	3.2
128.05307	2.3
128.06210	0.8
131.08611	1.6
136.07585	1.3
141.37784	0.7
145.04950	1.2
145.10106	0.8
147.11703	1.1
149.13316	1.2
151.05775	2.4
156.09338	0.8
157.10133	1.2
159.10451	1.8
160.11198	0.9
164.07111	1.1
166.06850	1.3
171.11667	1.0
172.06168	0.8
172.12482	1.1
174.12749	1.5
177.05690	2.3
186.60960	0.7
188.14394	1.5
192.08438	5.6
192.10036	1.0
200.14388	1.8
205.10474	1.7
222.13145	1.6
248.12735	1.0
248.14761	10.2
266.15927	16.5
303.01230	3.5
313.65619	0.8
316.90005	0.8
411.03949	0.7
428.21014	100.0
429.21490	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	428.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50066	0.7
51.98010	0.6
53.03934	2.1
55.01873	1.6
55.05511	5.3
56.05047	4.1
56.96572	1.4
57.03440	1.6
58.72342	0.7
60.04539	1.6
61.70613	0.7
67.05160	1.3
67.05502	17.8
69.03423	4.6
69.07069	4.5
70.06604	1.1
71.05000	3.7
71.62134	1.1
73.69221	0.7
74.16395	0.7
79.05498	14.2
80.05013	2.7
81.03423	2.9
81.05795	2.7
81.07055	17.0
82.06577	4.2
83.04964	1.5
83.08612	2.8
85.02910	0.8
85.06544	2.1
87.04462	2.2
91.05475	7.1
93.07047	23.9
94.06566	17.2
95.04970	4.3
95.08608	31.0
96.08128	3.3
97.06529	6.7
97.10175	1.3
99.04478	0.7
103.05482	1.3
105.07034	12.9
107.07346	3.4
107.08537	0.9
109.10159	4.8
110.09681	10.4
111.08086	14.1
111.11678	1.1
121.10153	1.4
122.09671	31.0
123.08073	27.4
123.11672	2.0
124.11243	0.8
128.10721	31.5
133.10146	0.9
134.86826	0.7
135.11726	0.9
137.13246	1.2
140.10703	100.0
141.09100	14.6
141.10973	1.3
150.88937	0.8
158.11763	7.4
165.09132	4.3
166.09464	1.5
173.16809	0.7
191.10666	1.0
205.12218	0.9
207.21075	1.6
225.22150	3.4
252.23059	1.2
270.24332	5.0
283.55804	0.9
312.25165	0.9
323.10867	1.4
362.30585	1.5
374.30603	1.1
380.31613	7.8
392.31561	16.5
410.32632	30.7
411.20074	0.8
411.33432	0.7
428.32910	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3938
Annotation	(13E,17E)-Polypoda-7,13,17,21-tetraen-3beta-ol
Peak:m/z	Relative Intensity
52.91829	4.8
55.05502	8.1
56.61037	4.7
57.07074	13.2
61.57119	4.3
67.05503	20.2
69.07071	18.6
71.08646	4.8
71.22428	4.6
75.04384	4.1
79.05473	6.9
80.67229	4.2
81.07062	71.9
81.10727	4.5
83.08638	10.2
87.20296	4.5
91.05491	4.6
92.65457	4.4
93.07041	24.7
95.08616	100.0
97.10200	7.0
105.07014	12.5
107.08599	21.3
109.10156	57.5
119.08609	12.6
121.10139	19.8
123.11706	27.0
133.10139	11.7
135.11685	17.3
137.13280	47.4
145.29898	4.5
149.13275	15.3
150.61246	4.2
161.13255	13.0
163.14827	12.9
175.14827	14.3
177.16397	12.7
189.16330	8.5
191.17938	5.8
196.30016	4.6
217.19479	4.6
229.10385	4.9
271.24347	8.0
285.25870	6.2
409.38321	17.8
427.39920	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38351	0.5
53.03941	0.9
53.40060	0.4
57.03445	0.5
58.63802	0.4
69.03415	1.3
71.04995	2.1
71.61041	0.5
78.97117	0.5
80.19814	0.4
81.03414	3.8
82.02788	0.4
85.02902	1.8
94.02923	0.7
97.02895	12.9
99.04435	1.7
100.45313	0.4
100.48260	0.4
109.02889	3.4
110.09699	0.6
111.08073	0.4
112.03972	34.0
122.02366	2.4
127.03928	10.4
127.11221	1.3
140.03432	100.0
146.06068	0.7
180.15594	0.4
182.04527	0.8
218.83690	0.4
231.13756	0.5
248.05638	1.9
265.14478	0.5
266.06607	23.1
267.07010	0.5
273.97638	0.6
281.54276	0.4
284.07709	2.6
335.98660	0.4
359.11017	0.4
428.19174	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.8
55.05503	10.0
57.03418	3.3
57.07076	2.8
64.97117	2.2
67.05505	20.0
69.07073	22.7
69.60603	7.0
69.61028	10.2
74.43108	2.2
79.05501	24.3
81.07056	51.5
83.04972	3.3
83.08623	10.4
91.05489	17.6
93.07047	55.3
95.04967	4.3
95.08609	67.8
97.06525	2.7
97.10196	4.5
105.07034	28.8
107.04907	2.7
107.08596	74.6
109.06560	3.5
109.10149	31.8
110.09663	2.7
111.08106	2.9
117.07003	3.3
119.08585	36.2
121.10144	59.2
123.08088	2.7
123.11725	12.4
125.09613	7.8
131.08582	12.8
133.10123	33.5
135.08029	2.6
135.11671	18.6
137.09651	2.3
137.13246	3.6
143.08562	4.1
144.09358	2.8
145.10132	17.9
147.11705	13.5
149.13254	100.0
151.07501	2.9
151.11185	3.8
157.10127	6.6
159.11729	17.8
161.09575	3.9
161.13245	10.6
163.14828	72.6
165.12752	4.6
171.11691	7.0
173.13254	14.0
175.14871	13.2
177.12900	2.5
177.16389	87.9
179.14317	2.9
185.13249	2.9
187.14828	23.7
189.16399	31.1
191.17970	13.8
199.14825	3.1
201.12685	3.4
201.16400	8.7
203.17946	11.9
205.15875	3.5
207.17429	3.4
213.16399	5.3
215.17969	18.0
217.19449	3.5
219.17433	6.3
227.17993	2.7
229.19556	5.4
231.17447	4.9
233.19016	12.9
251.20064	10.7
391.33478	11.5
409.34592	10.5
427.12115	6.7
427.35980	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	427.3572
Annotation	HMDB12167
Peak:m/z	Relative Intensity
51.43396	1.0
55.05494	3.5
57.07055	1.2
61.41775	1.0
67.05519	5.3
69.07064	5.3
69.52119	7.1
79.05488	3.2
81.07067	13.4
83.04373	0.9
83.08611	1.6
85.06516	1.1
88.58211	0.9
90.64755	1.0
91.05476	4.7
93.07057	12.6
93.28182	0.9
95.04922	1.0
95.08609	21.2
97.06524	1.0
97.10143	1.5
98.20739	2.1
100.75741	0.9
105.07037	10.7
107.07862	1.2
107.08598	20.5
109.06530	2.2
109.10177	10.3
111.08075	2.3
119.08582	15.0
121.10158	14.9
123.08047	4.9
123.11720	4.7
131.08571	7.1
133.10127	11.9
135.08025	1.4
135.11702	18.5
145.10109	7.0
147.11682	13.2
149.09535	1.1
149.13261	7.9
151.11139	1.7
157.10130	1.7
159.11688	7.4
161.13261	5.4
163.14839	9.3
173.13338	3.2
175.14809	4.6
177.12808	1.4
177.16414	7.2
185.13315	1.7
187.14812	8.9
189.16397	17.7
191.18015	3.7
201.16394	5.0
201.17999	0.9
203.17944	3.0
205.15889	38.6
207.17464	22.4
209.01523	1.1
213.16393	1.3
215.17958	5.0
217.19579	1.7
219.17490	3.4
229.19493	2.3
255.21178	3.3
269.22574	1.5
331.26230	5.0
357.27988	1.6
391.33591	1.8
409.34698	10.0
409.39590	1.4
427.35757	100.0
428.36292	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	HMDB12167
Peak:m/z	Relative Intensity
50.35778	0.5
53.03942	1.3
55.05508	4.2
56.96543	0.6
57.03431	0.9
57.07066	1.9
59.05014	0.6
64.89227	0.5
65.03947	0.7
67.05512	6.4
67.42782	0.5
67.49400	0.6
67.49726	0.5
68.94839	0.5
69.07068	6.3
70.05176	0.6
70.06593	0.6
71.04998	1.0
71.08597	0.5
73.58115	0.5
79.05494	6.7
81.07058	17.1
83.04974	1.3
83.08616	3.6
85.06534	0.6
91.05475	5.9
93.07047	15.2
93.07618	1.1
95.04961	1.5
95.08606	27.6
96.08941	0.9
97.06542	1.6
97.10181	1.3
98.20657	1.1
98.63817	0.6
99.08039	0.8
105.07030	13.1
107.08598	25.1
109.06522	2.3
109.10159	13.2
111.08085	1.9
115.08615	0.6
117.07011	2.8
119.08585	20.3
121.10147	17.1
123.08061	3.2
123.11708	5.3
129.07011	0.9
130.07875	0.6
131.08565	6.9
131.09570	0.6
131.09889	0.4
133.10135	14.5
135.08046	2.3
135.11696	17.2
136.12006	0.6
137.09653	1.7
137.13206	2.5
139.11176	1.4
143.08536	2.5
144.09409	0.6
145.10127	10.0
147.08087	0.7
147.11684	17.1
149.09645	1.3
149.13266	11.7
151.11215	1.5
157.10069	3.2
159.11674	7.7
161.09544	0.8
161.13272	7.3
163.11157	1.0
163.14825	10.4
164.07593	0.5
165.12820	1.2
171.11722	2.9
173.13280	4.6
175.14839	4.8
177.12793	1.4
177.16393	7.9
179.14320	2.3
183.11681	0.7
185.13220	2.5
187.14835	15.4
189.12811	0.8
189.16371	20.5
191.14301	1.5
191.17903	3.2
195.13696	0.7
197.13467	1.0
199.14850	2.2
201.13002	0.6
201.16360	6.5
203.17923	3.9
205.15878	41.8
207.17438	24.0
207.19368	1.1
211.14807	0.8
213.16425	2.5
215.17929	5.7
217.15952	1.1
217.19490	2.8
219.17429	4.0
227.17967	1.8
229.19548	3.4
231.21028	0.8
241.19545	1.8
243.21089	1.0
255.21075	5.2
257.22684	1.2
259.20544	1.1
269.22766	2.3
273.22113	0.8
275.23557	0.6
287.23727	0.9
291.23114	1.2
313.25452	0.9
331.26309	1.1
357.27664	0.6
380.37781	0.5
391.33627	2.9
397.31155	0.7
409.34808	11.2
427.35782	100.0
428.36169	4.3
432.31625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
51.91063	0.3
53.03942	0.3
55.05507	2.3
57.03439	0.3
57.07063	0.6
57.10944	0.2
63.14481	0.2
65.03944	0.5
67.05504	4.0
69.03442	0.3
69.07073	4.3
70.55232	0.5
79.05497	3.5
81.07061	8.3
83.08624	2.6
85.06562	0.3
91.05481	3.6
93.06455	0.5
93.07045	9.0
95.04966	0.7
95.08611	14.6
97.06516	0.9
97.10162	0.8
99.70586	0.2
105.07030	7.9
107.08597	16.3
109.06530	1.7
109.10164	6.7
111.08076	0.8
111.11730	0.4
117.07009	1.3
119.08581	9.9
119.09431	0.5
121.06494	1.3
121.10146	8.9
123.08070	7.8
123.11706	2.8
125.09626	0.7
129.07008	0.6
131.08574	5.4
133.10133	7.6
135.08041	1.5
135.11694	11.0
136.12106	0.3
137.09634	0.7
137.13226	0.9
139.11203	0.4
139.17203	0.3
143.08566	1.1
144.09317	0.4
145.10132	7.9
147.11685	8.8
148.12097	0.4
149.09612	1.2
149.13258	4.5
151.11183	1.3
153.12823	0.3
157.10129	2.1
159.11693	6.0
161.09669	0.3
161.13271	3.9
163.11192	0.6
163.14821	5.4
165.12692	0.4
169.10110	0.3
171.11678	2.2
173.13261	3.1
175.11177	0.7
175.14844	2.7
177.12801	1.3
177.16388	2.3
179.14293	0.5
183.11617	0.3
185.13240	1.5
187.14833	6.5
189.12752	0.5
189.16393	10.2
189.18103	0.6
191.14281	0.7
191.17935	1.4
193.15843	0.3
197.13309	0.6
199.14830	1.8
201.16393	5.5
203.14374	0.5
203.17957	5.0
203.19693	0.5
205.15878	8.7
207.17445	7.2
213.16364	1.7
215.17970	2.6
217.19518	0.7
219.17451	2.3
225.16382	0.5
227.18053	0.9
229.19507	1.2
231.17613	0.3
231.21107	0.6
233.19058	0.3
239.17986	0.4
241.19521	0.7
243.21075	0.6
253.19609	0.3
255.21114	2.4
257.22729	0.7
267.21182	0.4
269.22650	1.4
281.44571	0.3
287.23837	0.3
295.24164	0.4
313.25089	0.5
331.22305	0.5
331.26318	9.4
357.27887	7.8
391.33484	1.2
409.34744	2.8
427.35730	100.0
428.36166	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3571
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
55.05504	2.3
57.03434	0.8
57.07071	1.4
66.33067	0.7
67.05510	3.7
69.03411	1.1
69.07078	5.1
70.78224	1.3
79.05489	2.7
81.07059	10.9
83.04992	3.2
83.08611	2.6
90.23118	0.8
91.05455	3.2
93.07044	8.6
95.04947	1.5
95.08605	15.6
97.06520	0.9
97.10169	1.5
105.07030	6.7
107.08593	16.4
109.06516	1.4
109.10159	7.9
111.08080	1.4
111.11761	0.6
117.07024	1.2
119.08588	8.3
121.06510	0.8
121.10152	13.0
123.08047	2.2
123.11708	3.9
125.09628	0.8
131.08560	1.8
133.10138	6.5
135.08057	4.3
135.11699	9.6
137.09637	0.9
139.11145	0.8
145.10098	3.6
147.11644	3.7
149.09618	14.6
149.13266	3.6
151.11249	1.0
157.10153	0.6
159.11658	4.9
161.13240	4.6
163.11255	1.1
163.14853	2.5
165.09142	2.1
171.11679	1.2
173.13274	2.5
175.14841	5.3
177.12834	1.0
177.16376	12.9
177.17795	1.2
179.14339	0.9
185.13213	0.9
187.14839	2.3
189.16371	3.2
191.17992	1.9
199.14789	1.2
201.16481	3.1
201.17979	0.7
205.15959	1.0
215.17857	1.1
217.15948	1.2
219.17455	6.0
229.19586	1.5
233.19000	2.3
235.16953	1.0
245.19141	0.7
247.20636	0.9
267.97778	0.6
273.22134	7.5
273.40201	0.6
409.34634	2.5
427.35724	100.0
428.36133	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	427.3574
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
50.22486	2.0
55.05505	10.7
56.71916	2.1
57.07059	4.8
61.60324	2.3
67.05502	18.8
69.07070	21.9
69.48032	17.2
79.05496	13.8
81.07057	48.9
83.04993	3.1
83.08619	14.2
91.05490	13.8
93.07050	32.1
95.04972	4.0
95.08612	77.3
97.10168	5.9
99.08035	3.2
105.07047	22.3
105.98959	2.2
107.08596	43.6
109.06547	3.2
109.10155	41.4
110.11797	2.4
111.08128	2.7
117.31287	2.4
119.08577	35.1
121.06513	9.3
121.10149	45.9
123.08064	3.5
123.11709	18.3
125.09618	3.5
131.08553	7.2
133.10138	29.8
135.08081	6.8
135.11688	24.9
137.09653	3.6
137.13251	6.0
143.08519	4.4
145.10078	15.0
147.11679	22.3
149.09616	5.5
149.13260	30.6
151.11261	2.5
157.10091	4.3
159.11705	16.8
161.09656	2.8
161.13234	12.0
163.11201	2.9
163.14835	30.3
165.09140	7.2
165.16318	2.8
167.10689	4.4
171.11667	4.9
173.13318	12.5
175.14830	16.2
177.12856	3.2
177.16370	37.2
179.17987	2.8
183.11729	3.0
185.13344	2.8
187.14839	12.9
189.16402	20.3
191.17897	13.1
193.12254	6.8
193.15834	3.7
199.14793	4.1
201.16400	7.5
203.17960	13.2
205.15884	29.1
207.17438	13.3
213.16457	5.5
215.18010	6.7
217.15878	2.5
217.19519	8.5
219.17473	5.8
227.17950	5.2
229.19748	4.5
231.17471	7.0
231.21021	14.9
233.19131	2.7
235.17049	4.4
235.20438	2.5
241.19485	5.8
243.21132	2.8
245.22847	4.4
249.18637	3.4
255.21053	3.9
257.22733	7.5
263.20038	3.6
269.16061	2.7
269.22449	3.4
271.24374	2.6
277.21652	4.4
380.18594	2.6
391.33514	15.4
409.34702	34.8
427.35739	100.0
428.36649	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Oxidosenexone
Peak:m/z	Relative Intensity
52.24406	0.9
53.03938	1.1
55.05509	4.0
57.07063	2.1
67.05505	4.8
69.03417	1.2
69.07066	4.0
71.08619	1.5
79.05504	3.0
81.07066	13.5
83.08622	1.8
91.05477	5.0
93.07050	10.8
95.08608	20.2
97.06513	1.8
97.10183	1.3
98.20652	1.6
105.04505	0.8
105.07042	9.2
107.08597	15.7
109.10166	10.5
111.08060	1.2
111.11734	1.0
117.07006	1.7
119.08589	34.3
121.06549	2.5
121.10151	12.3
123.08087	4.0
123.11719	4.2
128.09410	1.0
131.08583	4.3
133.10124	7.9
135.08066	7.8
135.11693	12.3
137.09616	1.2
137.13257	2.6
140.12643	0.9
145.10152	8.4
147.11700	6.8
149.09665	1.1
149.13271	4.1
157.10127	2.0
159.11693	11.2
161.13263	4.6
163.11215	1.7
163.14815	5.5
171.11758	2.8
173.13249	4.5
173.95326	1.1
175.14882	2.9
177.16444	3.8
179.14267	1.6
185.13315	2.3
187.14812	7.4
189.16402	5.3
191.14452	1.5
191.17995	6.2
201.16374	4.7
203.17987	2.2
205.15906	3.9
207.17430	1.9
213.16351	1.1
215.18092	1.8
219.17418	1.9
229.19492	1.1
231.21214	1.7
257.22479	1.1
269.22665	1.0
391.33829	1.2
409.35001	5.2
427.35791	100.0
428.36151	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.05507	14.9
57.07075	5.2
60.69229	2.3
64.97459	2.4
67.05502	26.2
69.03423	3.8
69.07063	22.1
69.64561	15.2
71.05001	3.5
79.05486	15.4
81.03430	6.5
81.07058	62.8
83.08609	11.5
85.06521	2.9
91.05503	18.9
93.07037	39.4
95.04962	2.4
95.08605	100.0
97.10182	8.4
99.04440	2.5
99.40717	2.5
105.07025	33.9
107.08590	64.0
109.06536	4.7
109.10155	52.0
111.08069	4.7
111.11750	2.6
117.07061	4.3
119.08589	52.0
121.10145	60.7
123.08073	4.2
123.11706	20.5
129.07019	3.6
129.71822	2.6
131.08546	17.4
133.10121	29.7
135.08107	6.1
135.11699	59.2
137.13245	13.5
139.11203	3.2
143.08546	6.5
145.10112	20.8
147.11676	25.4
149.09587	2.9
149.13268	28.3
153.12788	3.0
157.10143	8.5
158.44940	2.7
159.11737	14.6
161.13287	21.0
163.11188	2.7
163.14798	22.3
167.10382	4.0
171.11705	4.7
173.13324	12.8
175.14810	19.1
177.16393	26.3
179.14270	4.5
185.13205	5.7
187.14861	34.2
189.16379	33.8
191.10619	2.5
191.17940	44.0
199.14832	5.1
201.16364	12.5
203.10709	3.1
203.17941	8.3
205.15869	34.8
205.19409	2.8
207.17470	30.0
215.18086	7.2
217.15804	2.4
217.19543	5.2
219.17482	3.9
227.17972	4.3
229.19615	7.6
231.21101	11.9
241.19524	3.9
243.21118	9.3
245.22664	37.2
255.21072	4.9
257.22644	12.4
259.24261	8.7
261.22208	3.0
269.22772	3.3
275.23734	3.0
285.25668	5.3
381.35172	45.7
391.33737	9.0
399.36212	19.0
409.34680	35.1
427.19382	4.2
427.24603	46.4
427.35742	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3573
Annotation	HMDB12167
Peak:m/z	Relative Intensity
51.15807	0.7
53.63609	0.8
55.05515	3.4
57.07069	1.3
63.21961	0.8
67.05520	5.2
69.07075	5.7
69.50768	5.3
69.51177	1.4
71.04950	1.2
74.21973	0.8
79.05492	4.4
81.07055	12.8
83.04977	1.5
83.08616	3.3
91.05505	5.6
93.07047	13.9
95.04996	1.4
95.08619	20.1
98.20763	2.0
105.07024	9.7
107.08601	20.8
109.06498	2.3
109.10153	10.8
111.08115	1.5
119.08572	16.4
121.06508	1.2
121.10159	13.1
123.08063	3.7
123.11720	3.1
131.08586	6.8
133.10129	12.6
135.08078	1.7
135.11700	17.6
137.09610	2.2
143.08543	1.1
145.10106	8.5
147.11688	14.8
149.13258	8.1
151.11179	1.7
157.10126	2.7
159.11700	6.5
161.13248	5.0
163.14819	9.6
165.12735	1.7
171.11652	1.8
173.13274	3.2
175.14842	3.6
177.16367	8.5
179.14305	1.1
185.13235	2.1
187.14821	12.9
189.16409	20.2
191.14357	1.0
191.18004	3.3
199.14827	1.4
201.16370	5.4
203.17967	3.4
205.15892	39.7
207.17445	24.3
213.16402	2.1
215.18039	4.4
217.19638	1.2
219.17441	4.3
227.17819	1.7
229.19539	2.9
241.19617	2.0
246.85881	1.2
255.21123	3.8
269.22693	3.6
287.23697	1.1
331.26389	5.8
357.27908	2.2
391.33710	3.2
409.34686	10.4
427.35760	100.0
428.36166	4.1
442.01498	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.7
55.05521	12.4
57.03427	2.6
57.07069	2.9
65.03920	3.5
67.05499	30.4
69.03423	4.2
69.07068	23.6
71.04951	2.2
71.36581	2.6
79.05498	18.1
81.03399	7.1
81.07056	55.9
83.04971	5.3
83.08646	10.7
87.04473	2.6
91.05489	16.0
93.07048	53.5
95.04967	4.5
95.08609	76.3
96.08961	2.7
97.02894	3.9
97.10155	3.4
99.04455	2.4
105.07032	34.0
107.08595	66.8
108.09002	2.7
109.02908	2.5
109.06492	5.7
109.10154	41.5
111.08100	5.8
119.08582	43.3
120.08890	2.5
121.06519	4.6
121.10143	59.1
123.08087	5.2
123.11700	14.0
125.09579	3.3
131.08578	11.1
133.10126	41.5
135.08057	2.6
135.11696	35.3
136.12032	2.7
137.09636	3.2
137.13260	4.9
143.08582	5.1
145.10141	20.8
147.11688	25.3
149.13264	69.0
157.10115	4.0
159.11688	21.2
160.12292	3.0
161.13245	23.3
163.11162	2.2
163.14827	49.2
165.12813	3.8
171.07820	2.3
171.11650	2.9
173.13272	11.6
175.11137	2.4
175.14825	26.7
177.16405	54.2
181.12276	2.7
187.14842	26.1
189.16397	35.2
191.17958	16.1
193.15852	3.1
199.14845	5.4
201.16359	16.5
203.14270	2.5
203.17964	20.5
205.15881	27.4
207.17496	16.7
213.09775	3.9
213.16403	5.5
215.17949	16.7
217.19563	4.7
219.17465	4.8
223.16966	2.6
227.17966	4.6
229.19588	4.8
231.10754	2.6
231.17578	2.2
231.21144	2.7
233.19048	6.5
235.16951	2.5
241.19514	3.0
245.19118	3.0
251.20062	4.6
257.22815	2.2
277.21979	2.5
313.25345	6.8
325.77280	2.5
331.26288	2.8
381.35373	2.6
391.33521	8.9
409.34711	17.6
427.19864	5.6
427.35727	100.0
428.35977	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	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13020	2.8
55.05500	10.7
57.03458	2.9
57.07066	4.3
67.05506	25.0
69.07062	24.9
70.86034	4.5
70.86383	6.1
79.05494	24.4
81.07053	47.7
83.04978	3.9
83.08617	13.2
91.05479	18.9
93.07047	44.5
95.08607	100.0
97.06504	3.2
97.10173	4.2
105.07042	38.6
107.08592	75.8
109.06525	5.2
109.10162	60.9
117.07029	5.2
119.08584	52.6
121.06446	5.0
121.10144	58.3
123.08073	6.1
123.11748	21.2
131.08574	13.0
133.10141	42.3
135.08069	5.6
135.11693	35.6
137.13283	3.3
143.08606	4.0
145.10135	21.3
147.11685	33.3
149.09619	4.1
149.13260	30.0
151.11201	3.6
157.10143	7.0
159.11667	30.3
161.13283	33.9
163.11102	5.6
163.14799	28.8
165.12779	8.0
171.11655	7.5
173.13239	13.2
175.11208	3.3
175.14801	43.2
177.12755	5.0
177.16356	23.7
179.14406	3.7
185.13266	3.3
187.14786	22.7
189.16382	32.0
191.14384	3.3
191.17973	13.6
193.15871	3.5
194.29070	3.4
199.14844	3.9
201.16411	14.0
203.16183	5.2
203.17961	45.4
205.15860	38.0
207.15749	3.2
207.17465	14.0
213.16371	9.7
215.17923	9.2
217.19505	6.6
223.16922	9.8
227.17896	5.5
229.19525	8.1
233.19162	3.5
241.19522	6.2
245.19218	4.0
247.20580	8.9
259.20621	5.7
295.24243	7.2
313.25134	9.9
331.26318	18.8
357.27960	5.3
391.33557	7.6
409.34625	22.9
427.35779	74.6
428.35968	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	427.3575
Annotation	Koelpinin A
Peak:m/z	Relative Intensity
53.03945	3.2
55.05500	11.6
57.07056	5.6
67.05521	20.9
69.07070	23.2
70.72961	7.6
70.73317	9.0
72.15269	3.6
74.65648	3.2
76.66896	3.2
77.93723	2.9
79.05486	11.9
81.07063	49.1
83.08593	15.9
84.98017	3.4
91.05480	11.2
93.07057	40.6
95.08612	93.0
97.06517	3.5
97.10129	6.8
98.01324	3.3
99.08012	3.8
103.27225	3.8
105.07018	35.0
107.08598	79.5
109.06528	6.1
109.09461	3.9
109.10172	50.2
111.08027	5.3
117.06993	6.3
119.08581	53.0
121.10149	51.0
121.56013	3.2
123.08043	7.0
123.11736	21.2
125.09636	4.2
131.07713	4.1
131.08574	20.3
133.10153	41.1
134.29707	3.7
135.08113	4.0
135.11714	40.6
137.09641	6.4
137.13271	7.4
139.11156	3.8
143.08615	4.0
145.10100	25.3
147.08015	4.0
147.11684	49.6
149.09605	8.9
149.13261	29.2
151.11226	8.6
152.43768	3.6
157.10126	4.6
159.11711	22.2
161.09541	3.4
161.13293	22.4
163.11116	5.0
163.14842	37.0
165.12779	5.0
171.11702	10.9
173.13258	13.0
175.14799	22.1
177.12744	5.0
177.16396	25.6
179.14349	5.2
185.13287	9.2
187.14812	34.7
189.16371	41.3
191.17921	17.7
193.12231	5.9
197.13313	5.1
199.14932	7.3
201.16396	18.6
203.17966	19.6
205.15886	37.0
205.30063	3.8
207.17450	28.4
209.19406	3.6
210.91423	3.5
213.16475	7.0
215.17935	11.9
217.19540	6.5
219.17430	9.5
229.19525	8.6
231.21016	7.4
241.19475	5.9
243.20973	4.5
255.21106	7.4
257.22589	5.2
269.22800	5.1
381.34988	3.9
388.51279	3.8
391.33441	11.0
409.34726	40.4
415.62057	4.1
427.35767	100.0
428.36374	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	16.5
57.07056	3.7
63.97619	3.2
67.05511	37.1
69.07064	35.0
69.31621	21.5
69.32047	12.0
79.05486	18.6
81.07059	62.8
83.08601	17.3
86.09702	4.7
91.05487	26.0
93.07053	57.1
95.08609	100.0
97.06488	5.6
97.10148	8.2
99.08105	4.0
105.07035	62.2
107.08598	85.7
108.19615	4.1
108.60732	3.2
109.06498	4.4
109.10161	52.8
111.08067	8.7
111.11734	3.5
117.06965	6.9
119.08589	62.6
121.10142	75.8
123.08072	6.4
123.11694	20.3
131.08537	15.8
133.10117	49.4
135.11699	45.1
137.09608	6.7
137.13217	7.9
143.08508	5.1
145.10149	25.8
147.11682	48.6
149.09624	9.1
149.13257	41.5
151.11168	4.1
157.10144	5.5
159.11702	19.2
161.13213	31.1
163.11215	5.6
163.14835	44.5
163.77744	3.3
165.12770	5.1
165.16364	4.7
169.10152	4.3
171.11627	8.4
173.13292	16.8
175.14830	31.7
177.12859	4.2
177.16411	36.3
183.11676	4.0
185.13191	6.8
187.14832	26.9
189.16359	53.3
191.14297	4.3
191.17938	22.7
199.14828	8.0
201.16415	22.5
203.17966	74.2
205.15887	49.6
205.19556	6.4
207.17430	16.0
213.16354	12.2
215.17902	10.3
217.19356	6.3
219.17398	11.6
223.16969	9.2
229.19437	5.9
231.17436	7.8
231.21074	9.3
241.19612	6.6
255.20981	4.3
259.20752	3.8
391.33527	9.9
391.75754	3.8
409.35013	30.1
427.27277	3.9
427.36154	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	427.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
56.96564	0.8
64.48795	0.8
65.03928	1.0
69.03429	1.2
70.06575	1.1
71.04964	1.1
81.03408	1.4
84.08134	0.9
85.02888	1.2
91.05447	2.8
95.04971	1.3
97.02849	1.5
98.97585	2.3
99.37616	0.8
109.02882	0.9
121.02833	3.0
125.09669	0.9
127.03916	23.8
150.07713	1.4
153.01801	2.0
205.05290	1.7
265.07330	3.7
283.08496	2.8
307.08511	3.1
427.12061	100.0
427.19101	6.4
428.12430	1.8
443.31125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05099	0.4
57.04547	0.6
59.22663	0.3
66.61308	0.4
69.03434	0.6
69.70149	2.3
77.16919	0.4
85.02902	0.6
93.27937	0.4
94.04063	1.7
98.97597	0.7
121.02866	0.5
123.06653	0.9
127.03917	4.3
135.05348	0.5
137.13005	0.3
149.02139	0.4
150.07755	100.0
151.08141	0.4
153.01808	0.9
205.05246	0.6
265.07370	1.1
265.12747	0.4
266.13983	0.4
283.08490	0.8
295.11520	16.9
307.08511	0.8
427.12231	13.3
427.19174	2.4
428.12677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1942
Annotation	Phe Phe Asn
Peak:m/z	Relative Intensity
50.33337	0.4
55.98836	0.4
58.53091	0.4
67.05482	0.6
69.03448	0.7
69.61751	2.0
69.62160	1.0
70.06586	1.7
71.04977	1.3
79.05497	0.4
81.03415	1.2
83.04983	0.7
85.02904	1.0
88.07609	0.4
91.05483	0.7
93.00895	0.4
93.07000	0.5
95.52739	0.5
97.02900	1.3
99.04462	1.9
105.07054	0.8
107.08605	1.4
109.02891	0.7
109.06537	0.8
111.08090	0.5
111.09786	0.4
113.05994	0.5
121.02844	0.6
121.10194	0.6
122.23580	0.4
124.11206	0.4
127.03912	5.4
130.08641	0.9
131.35797	0.4
135.08083	0.5
139.03935	1.2
142.31471	0.4
153.01822	3.6
154.02214	0.5
159.08046	0.5
167.10695	1.1
173.13199	0.6
176.50969	0.4
183.13791	0.5
203.05334	0.7
207.09909	1.5
211.00908	0.7
215.48615	0.5
247.13019	5.5
265.07162	0.7
265.10718	0.7
265.14154	1.8
287.16428	0.4
289.61896	0.4
427.19440	100.0
428.19748	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	426.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.8
57.03439	9.5
60.92473	1.0
61.02918	1.8
64.06714	1.0
65.26436	1.0
69.03413	4.2
70.06577	2.9
70.81981	3.2
71.04993	64.6
73.02903	2.5
75.04462	5.1
79.05494	1.9
79.68543	1.2
81.03427	1.5
81.07034	2.7
83.04992	8.0
84.08120	1.0
85.02905	100.0
87.04461	2.5
97.02900	5.8
98.09081	1.7
98.09690	24.7
98.97560	1.6
99.04428	3.0
101.06024	1.2
102.29084	0.9
111.04430	6.2
124.11228	10.7
124.39736	0.9
127.03912	6.0
129.05479	41.8
145.04941	5.7
146.08069	1.1
147.06502	18.1
155.97061	0.9
163.05959	2.3
164.09174	4.6
176.30481	1.0
207.06526	1.3
227.03366	2.1
246.14842	1.3
246.88651	1.2
255.02890	1.7
255.08679	2.4
264.12204	1.3
269.20502	1.0
273.03909	4.8
283.02417	6.1
301.03381	4.4
311.01843	2.1
329.02945	33.3
329.06613	3.4
358.04791	1.1
366.05753	1.2
426.11795	43.2
426.17450	1.6
427.12357	3.1
427.19205	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	427.1218
Annotation	Asn-Trp-OH
Peak:m/z	Relative Intensity
56.96570	1.2
65.98248	0.6
69.03418	0.9
69.82288	0.6
70.06600	0.6
71.61112	1.0
72.78976	0.6
75.60812	0.5
85.02908	1.2
91.05452	1.4
98.97572	1.2
108.18172	0.6
109.02875	0.9
120.07961	0.6
121.02859	2.9
124.11226	0.9
127.03925	22.4
150.07799	1.2
153.01860	1.6
205.05301	1.1
205.50485	0.6
223.06375	1.4
265.07437	3.3
273.12219	0.6
283.08594	2.8
307.08548	2.9
427.12112	100.0
427.18951	4.1
428.12646	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	426.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42536	0.4
55.01867	0.7
55.05512	0.6
56.96540	0.7
67.05504	0.4
69.03431	28.7
69.67516	3.0
70.06586	0.5
71.04968	0.5
73.02894	0.5
81.03414	1.0
85.02914	3.2
86.99050	0.5
97.02874	1.1
98.97585	1.0
109.10107	0.4
113.72511	0.4
116.65582	0.4
116.98605	0.5
122.02735	2.8
125.09632	100.0
126.09919	0.8
127.03899	0.5
128.10718	0.7
130.46510	0.5
143.00066	0.5
143.10677	10.4
145.04955	0.6
153.01839	0.8
160.77240	0.4
194.28371	0.4
230.99585	0.4
237.02966	0.5
246.11549	2.0
277.03494	0.8
305.15457	0.5
426.17673	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
63.25138	0.3
70.06586	0.6
77.10094	0.3
82.06544	0.3
85.02908	0.6
87.32912	0.2
92.04991	1.1
94.06564	2.9
96.04476	0.4
97.02901	0.4
98.97534	0.3
100.39982	0.3
110.06052	2.4
120.08130	0.4
125.74652	0.3
127.03958	0.4
136.11230	3.8
138.05504	100.0
139.03705	0.3
139.05855	1.2
147.04402	0.3
153.01814	0.5
211.13245	0.5
243.10199	0.6
246.11328	0.7
263.07132	0.3
264.12427	0.9
274.14777	0.3
382.09369	0.4
395.14926	0.4
418.65405	0.3
421.57764	0.3
426.21332	35.1
427.21155	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.05492	0.9
57.03429	0.5
65.03932	1.7
67.05493	1.2
69.03432	1.4
70.02959	4.4
70.22405	1.5
71.04996	0.6
72.54206	0.5
73.49625	0.4
74.00676	1.1
79.05479	1.4
81.03428	2.9
81.07062	2.1
82.06571	0.8
83.08657	0.7
85.02902	1.6
87.04418	0.5
91.05488	10.8
93.07050	2.1
94.06550	1.0
95.04952	0.6
95.08620	2.4
97.02886	0.9
97.08923	0.6
98.09708	0.7
100.02184	1.7
105.07036	1.7
107.08591	1.8
109.02863	1.4
109.10153	1.0
110.09685	10.2
111.08087	0.9
118.03242	11.6
118.04060	0.9
119.04950	20.3
119.08592	1.9
121.10118	0.7
121.16872	0.5
122.09704	1.0
123.08063	1.4
123.11723	0.5
124.07623	0.7
125.12009	4.3
127.03948	0.5
127.11208	1.2
128.10661	0.6
133.10158	0.9
135.11664	0.8
138.05511	0.5
140.10719	2.6
145.10109	0.6
147.04413	100.0
147.11694	0.7
148.04774	2.1
159.11681	0.5
161.13263	0.4
165.05476	3.2
173.13278	0.7
177.16472	0.6
187.14941	0.7
203.17989	0.8
236.10680	0.4
246.14975	0.8
291.08627	2.8
309.09766	1.8
329.03201	0.5
426.11783	5.6
426.21191	2.8
426.34195	1.4
427.23303	0.7
434.67856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1189
Annotation	Cepharanone A N-beta-D-glucoside
Peak:m/z	Relative Intensity
55.05509	1.4
55.06015	0.7
56.05017	1.3
56.62461	0.6
56.96552	0.8
57.03448	1.0
64.74957	0.8
67.05505	1.2
68.05022	1.4
69.03419	1.0
69.07065	1.2
69.24639	3.8
69.25074	2.4
70.06580	2.3
71.05001	0.7
73.19073	0.5
79.01867	0.8
79.05479	0.7
80.05029	0.7
81.03427	0.9
81.07045	1.8
82.06588	8.3
83.07364	3.7
84.04493	0.7
84.08137	2.2
85.02890	2.5
88.09332	0.6
91.05460	0.9
93.07018	0.8
95.08586	1.3
96.08099	2.1
97.02892	1.4
97.08912	4.6
98.09692	6.5
105.07047	0.8
109.10134	1.0
110.09686	52.8
110.97572	0.7
115.03870	0.8
120.08121	0.9
120.96529	0.7
121.02851	1.3
124.11230	7.2
125.12015	5.8
127.03890	2.3
133.04967	0.6
137.02327	0.8
140.03456	0.9
145.04984	0.9
147.04404	0.8
153.01830	4.4
154.02222	0.9
195.03316	0.6
231.02968	1.3
246.11061	0.7
255.03003	0.8
259.02527	0.7
264.12320	1.8
273.03949	1.1
283.02402	2.6
299.01938	1.6
301.03339	1.0
311.01593	0.8
313.03531	0.7
315.01367	9.5
315.04865	0.9
329.02942	9.2
329.06451	1.1
339.01297	2.1
367.04617	3.4
379.06799	0.8
380.07690	11.5
397.08221	0.9
408.11044	0.7
408.16281	1.0
409.09369	1.6
426.11850	100.0
427.12045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
54.16743	2.4
55.05512	20.2
57.07064	8.3
63.61022	2.6
67.05508	45.0
69.07074	36.6
71.04980	4.2
71.61736	4.5
79.05493	27.0
81.07063	82.7
83.08622	10.3
87.96070	3.3
91.05476	23.3
93.07048	59.2
95.04925	3.7
95.08611	97.0
97.06532	5.0
97.10159	6.0
99.08110	3.1
105.07033	61.3
106.79501	2.3
107.08604	78.3
108.84498	2.6
109.06569	3.4
109.10162	100.0
110.09645	2.8
111.08081	5.5
117.07016	6.9
119.08585	73.6
121.10145	57.2
121.11015	4.0
123.08060	5.9
123.11708	34.3
129.06961	3.5
131.08548	14.2
133.10150	49.3
135.11711	51.4
137.13235	12.1
142.07819	2.6
143.08578	11.7
145.10101	26.7
147.11708	47.6
149.13251	44.8
151.11172	4.8
151.14830	3.6
155.08414	2.7
157.10147	10.0
159.11690	28.5
161.13261	43.8
163.14839	32.3
165.12782	4.3
169.10194	3.6
171.11700	10.4
173.13231	20.2
175.14836	30.6
177.16412	13.5
179.14301	7.9
183.11711	3.5
185.13344	14.7
186.14151	2.5
187.14822	21.1
189.16397	32.0
191.17966	24.5
199.14862	9.0
201.16306	15.8
203.14262	14.6
203.17964	34.6
205.15915	8.1
205.19574	11.5
207.17389	14.8
213.16402	8.6
215.18016	21.1
217.15897	7.0
217.19530	31.4
221.19041	3.9
225.16441	4.7
227.17941	5.5
229.19426	5.9
231.21121	3.2
233.19142	3.6
239.17941	3.4
241.19452	6.6
243.21060	6.0
245.18987	4.3
245.22621	4.7
253.19669	4.5
255.21167	4.1
257.22610	3.4
267.21115	3.9
269.22656	3.1
271.24179	4.3
389.31845	5.4
407.32135	15.7
407.36823	14.7
425.33328	66.5
425.38409	21.4
426.11792	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.7
55.05512	14.8
57.07059	6.9
62.27427	1.7
63.40250	1.7
64.80381	1.8
65.03919	1.9
67.05505	35.8
69.03393	1.6
69.07075	24.2
69.91290	8.6
78.41243	1.5
79.05489	19.6
81.07056	72.6
83.08601	9.4
91.05482	17.5
93.07046	50.6
95.05011	2.0
95.08607	100.0
97.06514	4.6
97.10191	9.0
97.10731	2.2
98.20820	3.7
105.07034	42.3
106.80418	2.0
107.07856	2.5
107.08594	71.4
109.10154	83.5
109.10918	4.0
111.08113	4.3
111.11713	2.1
117.06992	4.9
119.06036	2.1
119.08584	50.2
121.10144	59.1
123.08061	3.4
123.11707	31.3
125.09643	4.5
127.11191	2.1
131.08553	11.5
133.10127	37.8
135.08073	2.8
135.11693	45.9
137.09647	2.6
137.13266	18.2
143.08528	5.1
145.10117	21.1
147.11688	32.5
149.13246	35.5
149.95595	2.1
151.11143	2.9
151.14816	3.6
155.37764	1.8
157.10115	5.8
159.11703	19.4
161.13254	28.9
163.14825	23.7
165.09004	2.3
165.12802	2.2
171.11682	5.7
173.13258	13.9
175.14815	21.2
177.16397	14.2
179.14262	6.8
183.11740	3.0
185.13280	5.5
187.14842	11.2
189.16373	24.7
191.14232	2.3
191.17963	36.1
199.14775	4.2
201.12538	2.0
201.16402	17.0
203.14293	5.4
203.17961	26.4
205.15866	4.2
205.19577	9.6
207.17491	9.7
213.16412	4.2
215.18033	9.4
217.15939	4.7
217.19531	29.8
219.17422	2.5
219.21051	3.8
227.17891	2.7
229.19551	4.9
235.20560	4.5
239.17891	2.6
241.19485	3.9
243.21204	2.9
257.22754	4.8
269.22601	2.4
285.25726	2.7
297.25467	2.0
311.23654	2.5
346.26169	2.0
369.31287	2.4
407.32297	3.7
407.37411	15.5
425.33801	33.7
425.37857	35.6
426.11826	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42206	2.8
55.05513	15.7
57.07083	4.4
63.76826	2.8
67.05515	28.2
69.07082	24.2
71.12355	6.8
79.05496	22.8
80.17094	2.9
81.07059	66.8
83.08603	8.3
85.43429	2.6
91.05479	17.3
93.07056	48.7
95.04950	3.2
95.08611	100.0
97.06516	3.4
97.10165	8.2
105.07042	37.4
107.08604	76.7
109.10160	69.6
111.08092	3.9
111.11698	5.0
117.07008	4.4
119.08593	48.1
121.10158	54.6
123.08107	3.7
123.11713	25.1
131.08578	6.3
133.10124	30.7
135.11700	36.9
137.13232	13.4
139.11165	3.5
145.10141	12.1
147.11676	31.2
149.13269	46.4
151.14830	4.9
157.10060	3.7
159.11694	12.7
159.33058	2.6
161.13274	30.4
163.14807	23.7
165.12715	4.5
173.13257	10.3
175.14870	19.8
177.16389	19.9
179.14296	8.0
187.14812	11.8
189.16371	20.8
191.17958	52.9
201.16438	7.9
203.17967	23.8
205.19511	16.1
207.17538	4.1
213.16335	2.6
215.17949	9.5
217.19539	33.6
219.21091	3.2
221.18951	3.4
229.19466	7.9
231.21130	8.5
233.18953	13.5
235.20567	7.4
243.21190	3.5
245.22748	7.7
247.20654	6.1
257.22720	3.0
313.29233	2.9
407.32779	12.0
407.36896	9.9
425.21216	2.9
425.38174	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.4
54.43965	2.3
55.05522	20.3
57.07087	6.1
65.03916	2.4
67.05220	2.4
67.05511	32.5
69.07071	27.9
71.30952	4.2
71.31280	3.3
72.52834	2.5
77.03922	2.9
79.05511	20.7
80.27329	2.4
81.07061	63.0
82.07416	2.5
83.08607	10.4
91.05479	17.7
93.07048	49.1
95.08614	86.6
95.09225	4.6
97.06544	4.1
97.10162	9.6
105.07043	54.6
107.08604	72.1
109.06458	4.1
109.10162	100.0
111.08089	4.6
111.11726	3.5
117.07007	4.0
119.07765	4.4
119.08586	57.9
121.10152	60.5
123.08039	3.8
123.11716	32.9
125.09638	3.2
126.31417	2.2
131.08553	11.8
133.10150	47.6
135.11696	45.5
137.13226	14.1
142.07838	2.2
143.08566	10.3
145.10109	21.6
147.11690	44.4
149.13249	28.6
151.11081	4.1
151.14850	4.1
155.08551	3.4
157.10109	14.0
159.11699	17.7
161.13248	36.3
163.14836	27.5
165.12787	4.2
169.10138	3.6
171.11728	5.4
173.13284	15.4
175.11099	3.0
175.14833	24.3
177.16389	14.9
179.14334	6.6
179.18063	2.3
183.11697	3.3
185.13303	11.4
187.14801	20.3
189.16412	35.5
191.14365	4.6
191.17984	24.7
197.13252	3.3
199.14841	7.4
201.16393	17.4
203.14340	17.7
203.17967	41.1
205.15929	5.1
205.19580	12.6
207.17488	15.1
213.16389	8.0
215.17969	19.8
217.15930	3.1
217.19521	28.2
219.21188	2.4
227.17912	8.1
229.19643	4.3
231.21088	3.1
233.19023	4.2
239.17793	4.9
241.19522	5.5
245.22632	5.5
255.21049	7.9
257.22720	3.7
271.24149	5.0
273.22141	3.3
297.25616	2.9
314.34518	2.7
322.93082	2.7
389.31644	3.8
407.32233	13.4
407.36832	12.5
425.33191	56.6
425.38132	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	425.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77883	2.6
53.03940	5.0
54.96809	2.7
55.05514	31.8
57.07047	4.7
61.37447	2.8
66.68120	2.9
66.68481	3.0
67.05510	31.0
69.07067	38.7
71.08623	4.5
75.37556	3.0
79.05508	24.1
81.06580	3.5
81.07056	59.8
83.08633	18.4
91.05499	22.5
93.07043	52.5
95.08608	100.0
97.10168	20.8
105.07026	52.9
107.08589	85.0
109.06517	3.7
109.10152	67.8
111.08085	3.3
111.11727	4.6
117.06983	5.1
119.08580	72.4
121.10135	61.2
123.08092	5.1
123.11726	36.4
131.08568	17.4
133.10138	55.6
133.86078	3.2
135.08075	3.3
135.11687	57.2
137.13252	16.0
143.08543	10.6
144.09320	3.6
145.10112	27.5
147.11685	49.2
149.13242	30.2
151.11177	5.8
151.14844	4.1
157.10107	9.4
159.11678	25.8
161.13252	38.2
163.14836	31.8
165.12770	4.3
169.10110	2.7
171.11659	8.7
173.13234	19.2
175.14815	29.9
177.16408	31.6
179.14294	7.4
185.13251	15.4
187.14838	22.7
189.16377	37.0
191.17891	14.5
196.65709	3.7
197.13155	6.0
199.14830	7.6
201.16428	23.9
203.14310	13.4
203.17944	32.1
205.15919	4.4
205.19492	10.1
207.17419	33.4
213.16415	8.7
215.17937	21.7
217.19519	17.5
219.17520	3.5
219.20924	3.2
227.17819	8.5
229.19482	9.5
231.20940	6.0
233.18997	6.5
241.19475	5.5
243.21043	6.1
245.22655	10.4
255.21071	10.8
257.22604	11.2
259.24149	3.8
269.22665	15.1
271.24133	8.4
281.22543	3.4
283.24280	6.4
285.25653	5.4
287.16461	3.3
288.77231	3.3
297.25931	3.7
327.23203	5.0
367.30078	3.5
407.32230	6.7
407.37238	26.0
425.21436	10.7
425.33197	62.3
425.38303	25.1
447.60303	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3418
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.01871	2.6
55.05518	12.6
57.07078	6.0
67.05501	21.4
69.03436	4.7
69.07069	20.0
71.61938	2.6
74.13142	2.0
79.05503	20.7
81.07061	41.8
83.04984	2.7
83.08614	9.3
91.05474	21.5
93.07050	42.3
95.04964	4.3
95.08612	69.1
97.06561	4.2
97.10169	2.9
105.07031	53.1
107.05009	3.2
107.08598	66.5
109.06530	6.1
109.10159	33.6
110.09705	8.5
111.08085	2.6
116.39904	1.8
117.07034	9.0
119.08585	68.0
121.06485	4.7
121.10152	52.1
123.08080	4.8
123.11720	12.8
125.09668	4.0
125.12052	3.5
129.07013	6.3
130.07784	2.1
130.75504	2.5
131.08577	31.0
131.09509	3.3
133.10133	46.6
135.08080	7.7
135.11711	26.2
137.09656	6.2
137.13268	4.1
142.07872	2.6
143.08585	12.7
144.09358	2.4
145.10123	52.6
147.11694	31.8
149.09630	3.5
149.13297	21.3
151.11192	3.7
155.08585	4.7
156.09314	2.5
157.10127	14.4
159.11711	33.2
160.12257	3.1
161.13287	24.7
163.11214	10.6
163.14830	20.9
165.09142	3.4
165.12807	3.2
169.10162	7.1
171.11752	9.4
173.13258	20.8
175.14836	26.1
177.12781	6.2
177.16386	24.7
183.11731	5.4
185.13246	14.4
187.14832	42.5
189.12801	3.5
189.16394	28.4
191.14313	11.4
191.17981	7.1
195.11816	2.9
197.13268	5.9
198.14040	2.9
199.14894	10.1
201.16408	50.1
203.14369	5.7
203.17926	14.7
205.15886	46.9
207.17494	4.1
212.15642	4.4
213.16470	10.4
215.17973	14.1
217.15968	6.4
217.19505	5.0
219.17459	23.6
221.18993	6.4
225.16333	4.4
227.18047	5.3
229.19539	4.3
231.17540	3.9
233.19138	5.2
239.18018	3.8
241.19475	39.6
243.21074	2.7
253.19550	2.3
255.21214	3.2
389.32257	8.3
395.33170	5.1
407.33221	32.1
425.34265	100.0
426.12000	4.7
426.34634	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
53.03946	1.3
55.01863	1.6
55.05516	10.2
57.07080	8.7
65.28426	1.0
67.05154	1.5
67.05505	18.3
68.57971	0.9
69.07072	22.1
69.23519	4.3
69.23947	6.3
71.08633	1.2
72.52263	0.9
77.64438	0.8
79.05489	12.9
81.07059	73.3
82.07381	1.2
83.05006	1.8
83.08621	11.8
85.10216	0.9
91.05476	9.4
93.07052	27.4
95.04954	1.7
95.08610	100.0
96.08947	1.6
97.06548	1.1
97.10164	6.8
105.07045	25.0
107.07865	1.2
107.08595	29.0
109.10159	38.3
109.10910	1.8
111.08118	1.6
111.11710	3.4
117.07034	5.6
119.08584	22.4
121.06490	1.2
121.10142	23.4
123.11709	20.1
129.07007	1.8
131.08568	9.7
133.06499	1.4
133.10138	20.6
135.08109	1.0
135.11678	17.8
137.13263	42.9
139.07500	1.9
142.07837	1.3
143.08554	4.4
145.10138	15.1
147.08009	1.3
147.11693	14.5
149.13261	14.6
151.14851	4.8
151.90569	1.1
153.12804	1.1
157.10173	5.4
159.11714	10.2
161.13255	11.7
163.11195	1.2
163.14833	4.8
171.11710	6.3
173.13278	8.0
175.11121	1.2
175.14793	7.7
177.12738	1.0
177.16382	5.3
179.17938	2.2
179.93613	0.9
183.11717	1.9
185.13278	6.7
187.14799	8.7
189.16382	9.9
191.17937	9.0
197.13136	1.3
199.14824	6.4
201.16418	9.3
203.14330	4.1
203.18008	7.5
205.15845	3.6
205.19487	4.0
207.17471	1.2
213.16351	5.3
215.17937	8.6
217.16061	1.9
217.19556	6.4
219.17462	3.3
219.21051	1.1
227.17952	6.5
229.19519	5.9
231.17438	3.2
233.19151	2.1
235.16910	1.1
241.19444	1.8
243.20961	1.0
245.19060	4.8
245.22708	1.4
250.47762	1.0
253.19394	1.0
255.21123	3.4
257.22684	4.2
269.22690	4.4
271.24191	1.5
273.22238	1.8
275.23599	1.1
283.24136	2.6
287.23581	1.7
346.47394	1.2
351.30374	1.1
395.36874	1.6
397.38000	1.2
407.37186	11.4
425.21494	2.8
425.32748	13.6
425.37836	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
50.88049	1.1
53.03930	1.4
55.05508	8.9
57.07063	4.0
59.05011	1.4
60.57224	1.0
61.80758	1.0
63.33564	1.0
63.79758	1.1
67.05157	1.5
67.05501	16.8
69.03438	1.5
69.07072	12.0
79.05502	11.9
81.07059	38.4
82.07388	1.4
83.04969	3.1
83.08625	6.8
91.05463	14.6
93.07046	31.5
95.04959	2.0
95.08607	59.3
97.06498	1.4
97.10170	2.9
99.08092	1.4
105.07029	26.3
107.08594	46.6
109.06504	3.7
109.10165	35.2
110.09678	2.2
111.08064	2.4
111.11739	2.0
116.06288	1.5
117.07005	4.5
119.08586	38.6
120.08874	1.4
121.10139	35.8
123.08080	2.4
123.11716	18.2
125.09621	2.6
129.06992	2.7
131.08569	14.7
133.10132	36.6
135.08070	3.1
135.11687	22.2
137.09586	2.7
137.13235	7.0
139.11209	1.4
142.07726	1.8
143.08553	8.7
145.10132	20.4
147.11678	23.3
149.09584	2.7
149.13258	27.8
151.11240	2.1
155.08589	1.8
157.10146	7.3
158.10896	1.3
159.11696	15.8
160.12415	1.4
161.09639	2.4
161.13263	17.9
163.11197	1.7
163.14824	29.0
165.12718	2.0
169.10100	2.9
170.10915	1.3
171.11690	8.6
173.09584	1.5
173.13275	13.5
175.11230	1.3
175.14824	13.3
177.12769	3.3
177.16383	11.9
183.11696	3.2
185.13292	6.4
187.14822	17.3
188.15186	1.1
189.12830	1.6
189.16393	16.0
191.14320	3.7
191.17944	11.3
193.15898	1.2
195.11758	1.4
195.60480	1.2
197.13257	2.9
199.14857	7.1
200.15579	1.4
201.12688	1.7
201.16385	12.6
203.14331	2.7
203.17940	11.1
205.15936	5.3
205.19611	1.5
207.17381	2.6
209.13310	1.5
211.14713	2.7
213.16386	11.0
215.14354	2.3
215.17947	12.4
217.15916	2.9
217.19443	6.7
219.13861	3.8
219.17494	2.5
221.15358	2.3
225.16325	3.1
227.17949	6.2
229.15968	1.8
229.19461	7.6
231.17500	3.0
231.21156	1.5
233.18987	1.4
235.17061	1.7
235.20796	2.2
239.17978	2.0
241.19475	6.0
243.21143	4.0
247.16920	1.3
253.19498	3.2
255.21045	10.1
257.19000	2.8
257.22647	2.1
259.20740	1.5
265.19644	1.2
267.21173	2.8
269.22595	4.5
271.20477	2.8
275.20065	1.9
281.22684	2.3
283.20776	1.5
283.24072	2.2
285.22028	1.4
293.22632	1.5
301.21594	6.7
311.23770	3.9
319.23911	1.9
337.25330	1.2
355.26331	1.8
389.31992	5.7
395.32919	2.4
396.79861	1.3
407.33115	31.0
425.34164	100.0
426.12030	2.2
426.34421	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48669	1.1
53.03941	1.2
54.55887	1.1
55.05509	12.0
57.07078	3.3
58.45486	1.2
65.03932	2.3
66.77107	1.1
67.05503	24.5
69.03422	2.6
69.07069	17.0
77.34717	1.3
79.05499	23.8
81.07058	52.9
83.04973	2.1
83.08613	9.2
85.06566	1.3
91.04918	1.0
91.05479	24.7
93.07041	48.9
93.07613	2.5
95.04970	2.2
95.08610	100.0
96.08956	2.2
97.06539	4.9
97.10184	4.1
98.21490	2.8
105.07030	64.6
106.07340	1.8
107.04969	1.8
107.08595	81.1
109.06546	2.7
109.10159	47.2
110.09697	3.9
111.04457	2.5
111.08044	1.8
115.05446	1.8
117.07024	15.9
119.08582	64.2
121.06515	5.1
121.10147	53.1
123.08093	3.5
123.11716	13.4
125.09664	3.6
125.12011	1.8
128.06238	1.6
129.07040	2.9
129.28122	1.2
131.08574	18.8
133.06590	1.3
133.07858	1.2
133.10130	42.0
135.08072	5.1
135.11694	21.1
135.99675	1.1
136.10608	1.3
137.09631	3.1
137.13304	4.8
142.07826	2.9
143.08539	7.4
144.09341	2.4
145.10121	25.8
147.08110	2.5
147.11690	35.9
148.12143	1.2
149.13263	38.6
151.07500	1.5
151.14874	1.6
155.08615	2.0
156.09335	2.0
157.10129	12.1
158.10847	2.7
159.08089	1.9
159.11700	35.5
161.09619	7.6
161.13266	27.7
163.11192	5.8
163.14836	28.8
165.09151	5.0
165.16443	1.9
169.10191	3.1
171.11705	7.6
173.13277	19.8
175.11253	6.3
175.14827	43.5
177.12764	5.1
177.16397	30.8
183.11629	2.7
185.13225	6.9
187.14822	23.2
188.15276	1.6
189.12779	3.6
189.16397	33.2
189.18102	2.1
190.16760	1.6
191.14297	21.4
191.17918	11.2
193.12296	3.6
193.15883	3.7
197.13377	2.1
199.14803	7.0
201.12759	1.7
201.16382	15.3
203.14340	40.0
203.17964	59.4
205.15851	6.3
205.19559	4.8
209.13409	1.4
211.14880	2.7
213.16443	5.5
215.14226	2.1
215.17966	8.2
217.15941	5.2
217.19510	5.8
219.13824	6.1
219.17445	1.5
221.15364	21.7
225.16464	2.2
227.17912	3.4
229.15900	1.2
229.19611	3.4
231.17458	2.7
231.21089	3.4
233.15413	1.5
235.16908	5.7
241.19562	2.4
243.17563	2.1
243.21034	1.7
245.19077	1.3
247.17029	2.6
249.18529	2.3
253.19695	1.5
255.21181	2.8
257.22766	1.7
265.19604	1.5
267.21054	1.7
268.89972	1.4
279.21265	1.7
281.22617	1.5
283.24234	3.7
299.23917	1.3
301.21680	1.2
311.23801	4.1
311.27194	1.6
315.23035	1.3
329.24750	7.2
355.26306	1.7
369.27975	1.6
379.33600	8.2
389.32123	5.4
395.33051	2.1
407.33084	18.3
408.34027	1.9
425.10419	1.8
425.34229	56.0
426.12109	2.0
426.34491	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	425.3414
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
55.05508	11.6
57.03452	1.7
57.07076	2.5
58.05694	1.3
59.04985	1.3
64.60039	1.5
65.03927	1.9
65.60664	1.5
67.05505	26.8
67.28389	1.6
69.06753	1.9
69.07073	18.8
70.82325	2.8
70.82637	1.7
79.05489	20.7
81.07058	55.7
83.08615	8.1
91.05479	22.7
93.07050	48.8
95.04977	3.7
95.08608	100.0
96.08935	1.8
97.06503	3.6
97.10158	5.2
105.07033	55.1
107.08597	66.7
109.06532	2.1
109.10159	53.7
110.09686	25.2
110.10397	3.0
111.08028	2.2
111.11708	1.9
117.07010	7.5
119.08582	61.7
120.08927	3.2
121.06490	3.4
121.09291	3.1
121.10146	49.8
123.08101	3.3
123.11720	11.8
125.09599	2.2
125.12006	15.6
126.03561	1.5
129.07043	2.3
130.07774	1.7
131.08577	19.0
133.10138	43.0
135.08055	4.2
135.11696	25.3
137.09595	4.3
137.13254	3.5
139.07530	1.7
142.07788	1.6
143.08585	6.9
145.10121	28.8
146.10457	2.6
147.08115	2.5
147.10617	2.6
147.11697	30.4
149.09604	2.9
149.12167	2.4
149.13277	29.9
153.09146	2.5
155.08589	1.6
156.09323	2.6
157.10136	10.7
159.11703	23.8
161.09711	7.1
161.13281	29.6
163.11220	3.8
163.14828	30.2
165.09125	39.8
165.16328	2.6
169.10179	3.6
170.10857	2.3
171.11734	6.7
173.09698	1.5
173.13271	24.9
174.13669	2.0
175.11215	4.6
175.14835	31.7
176.15256	2.5
177.16391	31.0
183.11685	1.8
185.13249	5.0
187.14804	22.4
188.15126	1.9
189.12744	5.0
189.16414	31.7
190.16748	2.8
191.14302	14.8
191.17973	14.0
193.12228	2.9
197.13310	1.9
199.14816	7.3
199.62337	1.7
201.12706	1.8
201.16385	13.1
203.14322	16.7
203.17955	53.5
205.12216	3.1
205.15910	3.8
205.19562	3.1
213.16380	5.8
215.14336	2.9
215.17917	7.5
217.15959	4.6
217.19574	5.1
217.81473	1.5
219.13786	10.9
221.15376	14.5
225.05858	1.9
225.16371	2.0
227.17982	4.0
229.15932	1.6
229.19547	3.9
231.17564	2.8
231.21111	3.3
235.16980	3.2
239.17770	2.4
241.19470	2.5
243.17393	2.2
247.16920	3.6
255.21085	3.6
261.18527	2.2
267.21112	1.7
281.22546	1.6
283.24112	3.1
311.23615	4.3
329.24808	5.6
355.26199	2.6
379.33289	8.2
389.32172	4.3
395.33029	3.8
407.33087	19.2
425.34128	72.1
426.11789	7.6
426.34677	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	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.70116	0.7
55.05520	4.6
57.07073	1.3
63.07785	0.8
64.49162	0.8
67.05511	6.6
69.07076	7.3
77.71719	0.7
79.05476	4.5
81.07060	18.0
83.04936	1.0
83.08614	2.7
85.06518	0.8
89.19704	0.8
91.05473	6.6
93.07037	11.9
95.04949	2.1
95.08607	23.9
97.10171	1.8
98.21452	1.4
105.07040	15.3
107.04980	0.9
107.08595	20.7
109.06532	2.3
109.10157	12.4
110.09681	1.2
111.08110	1.0
111.11720	1.2
117.07041	2.2
119.08579	19.2
121.06496	1.8
121.10156	13.9
123.08054	1.7
123.11716	8.3
129.07011	2.9
131.08575	6.3
133.10144	13.2
135.08075	1.6
135.11702	10.9
137.13274	1.1
143.08594	4.4
145.10130	11.2
147.08073	2.5
147.11688	8.9
149.09604	2.0
149.13254	11.3
153.12723	0.8
155.08578	1.6
156.09262	1.2
157.10123	5.8
159.11691	7.3
161.09647	1.7
161.13242	6.4
163.11198	2.0
163.14809	8.7
165.09143	1.3
169.10184	1.9
171.11714	4.7
172.12482	1.0
173.13277	6.5
175.11230	1.8
175.14862	8.5
177.16386	6.1
179.14386	1.2
183.11754	1.8
185.09641	0.8
185.13246	5.2
187.11171	1.6
187.14853	7.6
189.12923	1.1
189.16426	8.8
191.14348	1.5
191.17946	2.5
195.11641	0.9
197.13277	2.0
199.11266	0.8
199.14832	3.5
201.12732	1.4
201.16469	4.2
203.14264	5.0
203.17873	3.8
205.15901	2.4
207.17484	2.4
209.13269	1.4
211.14821	1.6
213.16409	2.4
215.14302	1.4
215.17929	3.9
217.15868	7.1
217.19379	1.0
219.17651	1.1
223.14857	1.0
225.16388	2.3
227.17888	1.3
229.19531	2.8
231.17459	1.0
235.14723	1.1
235.16940	1.0
237.16336	1.2
239.17880	1.2
241.19580	2.4
243.17551	1.5
243.21002	1.6
251.18002	1.7
253.19592	2.1
255.21172	1.7
257.19022	1.6
261.18484	1.1
265.19379	1.2
267.21161	0.9
271.20490	1.6
275.20337	1.0
281.22586	1.2
283.20535	1.1
285.22272	1.7
293.22800	1.8
311.23749	2.3
347.27466	1.0
355.26614	1.0
379.33719	1.9
389.31921	6.1
407.33133	22.3
408.33411	1.4
412.18130	1.0
425.34192	100.0
426.11969	1.4
426.34634	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.46969	2.0
53.03928	2.6
55.05513	17.1
55.21677	2.4
57.07071	3.9
63.24401	2.1
67.05502	30.9
69.07066	23.3
79.05499	23.2
79.50262	2.3
79.99318	2.1
81.07059	100.0
83.08611	14.1
84.07613	2.5
91.05472	19.2
93.07045	51.2
95.08608	93.1
95.09228	4.4
97.10143	6.5
104.65602	1.9
105.07036	46.2
107.08599	74.4
109.06533	2.5
109.10158	67.2
110.09680	2.4
111.08105	3.2
114.23950	2.2
117.07002	4.3
119.07796	3.5
119.08594	63.7
119.09437	3.5
121.10149	63.9
123.08081	4.3
123.11712	55.8
125.09592	2.7
129.06984	3.5
131.08586	14.9
133.10141	47.9
135.11693	71.7
137.13286	14.0
143.08516	9.7
144.09343	2.4
145.10132	25.7
147.11700	38.3
149.13281	20.8
151.14842	2.8
153.09088	4.8
157.10114	7.4
159.11707	17.3
161.13274	22.8
163.14806	26.3
165.16368	5.5
171.11630	5.0
173.13252	18.8
175.14841	25.8
177.16386	47.2
178.16757	2.9
179.14282	2.6
185.13301	15.5
187.14783	14.5
189.00133	2.4
189.16385	66.9
191.17966	30.0
199.14792	8.1
201.16399	14.8
203.14355	22.4
203.17966	41.0
205.15887	5.5
205.19440	8.3
207.17448	11.6
213.16383	9.4
215.17966	34.0
217.15900	3.9
217.19554	16.6
227.17885	5.5
229.19466	8.3
231.17488	3.0
231.21152	7.5
241.19502	6.1
243.21120	16.6
245.22844	2.4
247.16866	4.2
249.18417	6.0
255.21198	4.8
257.22644	6.2
261.18500	28.5
269.22751	6.7
271.24319	3.4
285.21725	2.9
289.21634	13.2
301.21588	7.5
315.22961	5.1
337.29013	4.2
379.33740	23.3
389.32007	2.8
407.32803	6.3
425.34048	89.8
426.34256	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
55.05505	11.4
57.07079	3.8
58.41355	1.9
65.10322	2.4
67.05506	27.2
67.57199	1.9
69.07067	19.0
69.93449	1.9
70.86009	2.2
70.86343	4.7
79.05493	20.0
81.07059	51.2
83.08620	8.5
91.05483	18.3
93.07045	54.3
95.04954	2.3
95.08607	100.0
97.06512	2.7
97.10146	5.1
97.11946	1.9
102.25368	2.0
105.07033	55.8
107.08596	66.4
107.49260	2.1
108.08963	2.1
109.06528	2.6
109.10155	51.5
111.08079	3.7
117.07022	8.6
119.08578	56.8
120.08958	2.3
120.11803	2.1
121.06512	3.1
121.10152	47.6
122.10475	2.6
123.11691	16.6
125.09641	3.5
126.52135	2.1
129.06900	3.0
130.07791	2.7
131.08569	24.8
133.10143	37.5
135.08067	2.6
135.11697	23.8
137.09618	4.4
137.13274	5.1
143.08588	10.7
145.10132	30.3
147.11681	31.3
149.09665	2.5
149.13242	33.0
155.08510	2.6
157.10153	12.1
158.10829	2.9
159.11703	27.6
159.16023	2.4
161.09656	5.0
161.13258	23.5
163.11169	2.1
163.14828	33.6
163.16087	3.2
165.16396	2.3
169.10110	2.8
171.11716	12.2
173.13289	21.9
175.14818	32.3
177.12804	3.8
177.16393	26.8
183.11665	3.8
185.13226	12.8
187.14844	27.3
189.16402	19.9
191.14395	5.8
191.17984	12.4
193.15958	2.2
197.13289	3.5
199.14897	9.4
201.16385	16.7
203.14308	15.2
203.17972	27.5
205.15866	6.1
211.14836	3.4
213.16388	10.7
215.14345	3.7
215.17949	16.2
217.15831	2.0
217.19537	3.2
219.13847	9.4
221.15388	8.3
225.16362	2.6
227.17964	5.8
229.15894	2.9
229.19460	11.8
231.17430	3.5
231.21129	3.3
233.15393	2.8
235.16925	4.0
239.18161	3.1
241.19557	4.8
243.21097	5.1
255.21130	11.5
261.18433	2.8
267.21185	5.2
269.22687	5.5
271.74112	2.8
275.19864	2.4
281.22458	4.3
301.21609	3.6
311.23749	4.1
329.24701	6.7
355.26175	3.8
379.33585	5.4
389.31940	5.2
407.33154	28.8
425.34167	91.6
426.34299	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3417
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
51.02373	1.3
53.03946	1.4
55.05510	11.5
56.17274	1.3
57.03431	1.7
57.07070	4.0
57.10648	1.3
58.13578	1.3
67.05506	22.2
69.03437	1.2
69.07069	15.8
70.89424	2.7
71.04990	1.7
74.93166	1.3
79.05496	15.6
81.07057	45.9
83.04977	7.9
83.08609	6.4
85.10146	1.3
91.05482	19.9
93.07050	44.4
94.07300	1.4
95.04969	3.9
95.08611	66.9
97.06541	2.2
97.10173	4.0
103.05455	2.2
105.07029	48.2
107.08593	61.0
109.06548	2.6
109.10162	37.8
110.09697	4.5
111.08066	3.6
117.07029	7.9
119.08578	54.0
121.06525	2.1
121.10147	40.0
123.08109	3.5
123.11715	15.5
124.11285	1.7
125.09647	4.1
125.12021	2.0
129.07033	5.0
131.08568	24.5
133.10127	36.4
135.08078	4.0
135.11693	19.9
137.09647	3.4
137.13284	5.5
139.11169	1.6
141.06950	1.7
142.07816	2.9
143.08549	12.5
144.09348	1.8
145.10126	40.7
147.08089	1.9
147.11691	25.5
149.09634	2.1
149.13268	34.6
151.07465	1.4
151.11201	3.6
153.12837	1.5
155.08551	3.6
155.99815	1.3
156.09415	2.1
157.10130	15.3
158.10861	2.4
159.11688	31.6
159.49684	1.3
161.09595	2.0
161.13249	18.0
161.67923	1.5
163.11156	2.5
163.14833	28.2
165.09033	1.5
165.12764	1.9
165.16478	2.2
169.10124	3.6
170.10973	1.7
171.11713	13.3
172.12462	2.4
173.13260	25.0
174.13632	1.8
175.11307	2.5
175.14824	16.0
177.12799	2.7
177.16411	10.9
181.10179	1.9
183.11748	7.9
185.09641	1.4
185.13290	13.2
187.14818	36.7
187.16396	2.3
189.16371	21.3
191.14337	10.2
191.18010	5.9
195.11713	2.8
197.13324	4.5
198.13814	1.5
199.14874	11.7
201.12668	1.4
201.16388	27.1
203.14339	6.0
203.17993	15.2
205.15965	6.9
205.19565	2.5
207.17378	1.7
209.13403	2.1
211.14838	4.2
213.16356	19.6
215.14563	2.8
215.17949	19.6
217.16026	3.8
217.19597	4.6
219.13857	5.6
219.17482	3.3
221.15419	2.8
223.14856	2.9
223.16940	2.0
225.16463	3.8
227.17966	7.7
229.15979	1.6
229.19589	7.7
231.21164	1.5
233.19055	2.9
237.16528	1.6
239.17970	3.9
241.19560	10.2
243.17528	1.8
243.21086	7.9
245.19058	1.7
253.19585	3.6
255.21095	15.2
257.22812	3.7
265.19611	1.9
267.21057	7.0
268.99625	2.5
269.19260	2.4
269.22717	5.6
269.99841	5.1
270.99429	1.5
272.86951	1.4
281.22687	2.6
283.20737	2.3
283.24243	2.2
285.22046	1.7
293.22498	1.7
301.21576	3.0
309.25449	1.4
311.23737	3.1
311.27057	1.5
329.24579	2.3
333.25986	1.6
379.33981	1.9
389.32092	9.4
407.33167	38.6
425.34250	100.0
426.11737	3.1
426.34744	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	425.3414
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
52.07717	2.3
55.05492	8.2
57.07079	5.0
58.32817	2.4
67.05502	13.9
68.22558	2.2
69.07076	16.5
69.81240	14.7
71.04995	4.9
71.41165	2.7
72.65165	2.3
79.05488	12.7
81.07059	39.4
83.08620	7.2
86.68037	2.3
91.05477	8.3
93.07043	25.7
95.08038	3.7
95.08612	53.0
96.09052	2.4
97.10195	5.5
105.07042	24.5
107.08603	37.7
109.10165	26.1
111.08052	3.1
117.07033	3.2
119.08582	48.1
121.10152	30.5
123.08095	3.3
123.11716	10.3
125.09582	3.0
129.06984	3.0
131.08557	10.0
133.10126	28.5
135.11696	19.0
137.09642	2.9
137.13232	3.0
142.07785	2.9
143.08556	6.5
145.10130	15.5
147.11691	9.6
149.09560	2.5
149.13258	13.8
157.10109	7.8
159.11691	18.2
161.09644	4.9
161.13376	11.4
163.14856	17.3
165.12726	3.9
171.11702	9.0
173.13275	16.7
175.14832	19.0
177.16409	30.8
183.11794	2.6
185.13274	7.0
187.14879	12.5
189.12766	2.7
189.16417	17.1
191.17996	5.6
193.15840	3.9
197.13306	2.7
199.14870	8.9
201.16301	6.0
203.14330	12.3
203.17969	9.8
205.15976	3.9
207.17531	3.3
209.13277	2.8
211.14810	3.0
213.16402	3.2
215.17917	8.0
217.15855	5.8
217.19525	2.8
225.16428	4.9
231.17624	2.9
235.16930	16.7
307.68863	2.4
327.26776	3.1
355.30139	4.1
389.32062	6.9
407.32886	14.0
425.21503	9.6
425.34103	100.0
426.34500	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	425.3416
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.03937	3.2
55.05518	19.7
57.07064	5.9
65.03944	2.5
67.05508	26.0
67.63203	2.0
68.48196	1.9
69.03429	2.1
69.07070	31.2
69.52382	10.7
69.52807	5.1
71.04996	2.8
71.08639	2.5
72.04002	2.0
76.01489	2.1
76.30849	2.1
79.05491	20.2
79.62192	1.7
81.07058	51.5
83.04959	2.3
83.08617	12.3
85.06569	2.5
87.04476	2.9
87.26960	1.9
91.05482	22.2
91.50058	1.9
92.29108	1.9
93.07045	51.7
95.04974	4.0
95.08610	80.6
96.08967	2.5
97.06539	3.4
97.10165	7.7
105.06369	4.2
105.07031	61.4
105.25996	1.9
107.08597	69.9
108.08921	3.0
109.06532	4.3
109.10159	44.9
111.08089	7.8
111.11715	2.6
117.07019	5.9
119.08575	92.5
121.10139	56.8
123.08045	5.1
123.11718	18.7
125.09607	5.2
129.07005	4.5
131.08571	30.0
133.10130	71.7
135.08066	2.4
135.11671	30.6
137.09621	7.2
137.13278	4.9
142.07800	4.2
143.08554	15.1
144.09332	3.3
145.10120	36.1
147.08064	2.7
147.11696	32.6
148.11964	2.2
149.09564	2.2
149.13255	49.7
151.07494	2.2
151.11119	1.9
155.08588	2.6
156.09373	4.1
157.10141	17.1
158.10904	4.3
159.11696	45.1
161.09602	5.6
161.13260	29.2
163.11176	4.3
163.14809	44.8
165.09053	2.4
165.12785	4.9
169.10150	6.0
171.11658	17.5
173.13284	33.2
175.11205	3.2
175.14828	57.5
177.12785	4.1
177.16393	57.1
183.11676	5.4
185.13293	13.7
187.14816	54.5
189.12711	3.6
189.16382	50.8
191.14299	4.0
191.17979	11.4
193.15846	9.6
197.13286	4.0
199.14822	13.1
201.16383	19.9
203.14301	7.2
203.17950	23.3
205.15926	4.0
207.17455	5.9
211.14883	3.8
213.16373	15.1
215.17928	23.9
217.15901	9.7
217.19539	5.4
219.13713	3.1
219.17288	3.7
225.16447	4.2
227.17937	7.4
229.15964	4.0
229.19609	2.6
231.17485	8.3
231.21024	3.0
233.19014	5.1
235.16898	18.5
239.18034	3.9
241.19490	4.3
245.19023	3.3
247.16936	12.0
249.18590	4.1
251.20039	20.5
253.19542	3.4
255.21074	5.1
257.19113	2.3
266.31900	2.0
267.21185	3.9
269.22729	2.6
271.20361	2.2
279.20947	2.8
281.22519	2.5
297.25867	4.1
339.30441	2.4
379.33664	5.0
389.32098	14.0
407.33044	31.2
425.05643	2.6
425.34167	100.0
426.34518	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	425.3415
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
53.45276	1.5
54.96267	1.7
55.05515	11.9
57.07072	4.4
61.40154	1.7
65.03919	1.8
67.05505	28.4
69.07073	16.7
69.70391	10.9
69.95566	1.6
79.05489	19.7
81.07061	53.5
83.04967	1.8
83.08625	7.2
91.05483	19.0
93.07047	44.2
95.04964	5.4
95.08610	100.0
97.06547	3.7
97.10184	5.1
98.20805	2.1
105.07040	45.6
105.07757	2.5
107.08598	65.9
108.08958	2.5
109.06532	2.7
109.10162	52.0
110.10500	3.2
111.08079	2.1
117.07036	6.9
119.08591	52.5
120.08907	2.5
121.06531	3.8
121.10152	46.1
123.08113	3.2
123.11711	14.8
127.07555	2.0
129.07048	3.0
131.08603	12.7
133.10144	39.6
135.08109	4.2
135.11696	25.9
137.09641	3.6
137.13277	4.7
143.08562	5.3
145.10141	23.7
146.10602	1.8
147.11713	25.8
147.12776	2.6
149.13271	29.1
157.10190	8.4
159.11725	19.8
161.09645	2.9
161.13269	28.4
163.11224	3.1
163.14815	20.7
165.09186	1.9
165.16437	2.0
171.11719	6.4
173.13301	18.8
175.14842	31.6
177.12753	2.2
177.16380	25.5
183.11752	3.2
185.13307	8.2
187.14856	24.1
188.15187	2.0
189.16391	29.3
191.14317	9.2
191.17952	10.3
192.40750	1.7
193.12279	3.4
195.46022	2.4
197.13310	3.2
199.14859	5.6
201.16377	11.6
203.14326	11.7
203.17969	35.7
205.12241	1.8
205.15970	5.6
205.19608	3.6
211.14929	2.3
213.16425	5.8
215.14342	3.7
215.17950	8.8
217.15935	4.3
217.19574	4.2
219.13866	12.7
221.15378	14.6
225.16396	2.9
227.17972	3.3
229.15936	4.5
229.19577	5.7
231.17709	2.3
231.21089	2.1
235.16867	3.6
239.18004	1.8
243.17586	3.0
243.20995	2.2
247.16968	3.7
249.18433	2.3
255.21100	3.7
257.18994	2.1
257.22714	1.7
261.18570	2.4
283.24268	3.1
311.23703	3.5
329.24802	5.7
355.26260	2.3
379.33722	5.1
389.32410	3.1
407.33221	15.7
425.34204	65.0
426.12531	2.0
426.34229	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	425.108
Annotation	Hypericophenonoside
Peak:m/z	Relative Intensity
53.03922	1.3
69.03410	2.1
70.75306	1.8
70.75646	0.8
81.03416	7.9
85.02885	2.6
93.03403	1.9
97.02885	4.0
99.04440	1.1
109.02864	4.7
111.04439	3.6
127.03914	100.0
137.02345	81.4
137.03401	5.3
155.03383	7.5
223.93480	0.7
281.06613	9.2
299.07648	1.9
382.99933	0.8
410.94687	0.8
425.10468	1.3
425.17694	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2147
Annotation	Ser Tyr Arg
Peak:m/z	Relative Intensity
50.83135	0.3
51.93869	0.3
53.33525	0.3
54.82420	0.3
55.05511	0.4
67.05483	1.1
69.07072	0.5
70.78513	0.9
73.44019	0.3
79.05492	0.5
81.07053	0.9
87.09525	0.3
91.05469	0.7
93.07052	0.8
95.04972	0.6
95.08598	1.3
105.07030	1.1
107.08598	1.1
109.10144	0.9
110.09682	0.8
111.08121	0.4
119.08588	1.0
121.10155	0.3
131.08582	0.5
133.10109	0.5
135.18413	0.3
145.10112	0.5
159.11696	0.4
163.11134	0.4
165.09137	1.0
187.14784	0.4
213.16287	0.4
312.46155	0.3
354.45187	0.3
425.21469	100.0
426.04886	0.5
426.11469	0.6
426.21780	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78765	4.3
55.05506	5.6
55.05779	4.5
69.03429	8.1
69.07082	37.1
69.51049	37.2
70.90344	5.0
71.04981	10.9
79.05511	4.5
81.03407	8.1
85.02917	10.0
89.06034	100.0
97.02888	13.3
110.09712	4.6
111.11699	14.8
127.03891	8.7
127.11145	11.1
129.12753	27.4
135.06522	18.6
153.01794	6.2
153.67480	4.7
167.80333	4.1
203.10645	5.5
263.12582	43.6
279.79492	4.9
381.84631	5.6
425.17599	62.7
426.11557	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1054
Annotation	HPF
Peak:m/z	Relative Intensity
51.93420	0.5
52.36509	0.4
53.15249	0.4
67.88845	0.5
71.04546	0.5
71.61336	0.5
72.08125	0.5
84.08156	0.6
85.02914	1.1
106.06574	0.6
108.08096	0.6
124.07550	0.7
134.06024	0.5
136.07660	0.5
148.51158	0.4
152.07094	0.9
161.42435	0.5
180.08179	0.5
186.09064	0.5
201.11107	0.6
214.08728	0.4
215.08995	1.0
237.04909	0.5
244.05893	0.6
245.06439	1.6
245.10136	0.5
250.83235	0.5
262.07193	0.8
262.10553	0.9
263.01917	0.6
263.07367	0.9
263.11148	1.4
315.84305	0.5
365.05371	0.5
425.10590	100.0
425.17499	12.2
426.11026	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16766	0.8
56.05000	0.8
62.70807	0.7
63.47889	0.9
69.03400	1.1
70.09302	0.7
71.61105	1.0
74.31185	0.7
80.86707	0.7
83.25220	0.6
89.57545	0.6
97.02852	0.9
102.91293	0.6
105.40952	0.6
124.11259	0.7
142.50374	0.7
143.72685	0.7
152.07040	1.0
167.07030	0.7
245.06355	1.7
262.06970	1.1
263.07513	2.3
263.10965	2.7
309.21906	0.7
369.76880	0.8
425.10480	100.0
425.17499	21.5
426.10812	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0119
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	0.8
58.65885	0.3
71.32929	0.3
71.59836	0.4
71.60192	0.4
98.97584	10.4
116.97802	0.4
116.98616	5.3
119.01873	0.5
134.99690	2.9
172.95100	0.4
177.00960	0.7
180.96861	0.3
188.51271	0.3
190.87386	0.4
192.98892	1.0
195.69087	0.4
195.70724	0.3
198.97858	0.8
204.35092	0.3
208.57175	0.4
208.88417	0.6
216.97073	0.5
216.98949	5.7
217.99156	0.5
219.01964	0.5
221.65764	0.4
222.98001	1.2
223.98764	0.4
226.89395	0.5
232.96838	0.5
235.00002	14.3
236.00018	0.6
240.98918	8.3
241.98929	0.6
245.05138	0.5
249.98654	0.5
253.01103	2.3
256.96677	0.7
258.99988	51.1
260.00012	6.4
261.00110	0.8
261.03085	1.3
263.02881	0.5
264.98819	3.4
265.98947	0.5
273.98764	1.6
274.97757	1.4
277.01025	30.7
278.01050	4.3
279.00891	0.8
282.01553	0.7
282.99991	93.0
284.00104	6.0
284.99936	0.9
291.99734	1.2
292.99042	0.4
298.97809	1.1
301.01056	100.0
302.01166	6.9
303.01093	1.2
315.02625	0.6
316.98849	1.3
317.98907	0.5
318.98901	0.6
319.02112	3.5
322.98172	0.4
324.02603	2.5
359.00064	1.4
364.99176	0.9
383.00012	1.6
384.00098	0.7
401.01245	5.1
402.01224	3.1
407.00003	5.4
408.00372	0.6
418.94269	0.5
425.01157	49.3
426.01294	4.5
427.01816	0.4
440.99179	0.4
441.45609	0.4
443.02264	85.9
443.96228	0.5
444.02420	7.7
445.02255	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	51.9
60.04513	9.3
61.54083	2.6
69.03413	3.8
69.60913	16.8
71.95265	3.0
84.08137	2.9
84.96033	17.6
85.02895	4.9
86.06076	4.5
97.02867	3.7
98.97588	100.0
101.09120	2.4
104.20761	2.5
110.97565	23.6
112.99110	4.9
115.05047	5.1
116.98637	45.4
119.19699	2.2
120.08100	21.0
124.99080	3.4
127.03941	2.7
127.04955	3.2
128.98615	26.5
131.00179	8.0
134.99655	11.6
140.98529	3.4
143.00174	15.9
144.98039	4.3
146.99654	18.7
147.04457	2.6
149.01277	4.6
152.98599	3.4
153.01846	6.9
157.06079	5.9
158.99673	8.6
161.01224	27.9
162.99136	3.8
166.08620	10.9
168.03711	2.8
170.99608	7.3
175.07158	5.4
177.00754	11.2
177.10260	3.5
179.02309	2.9
182.99614	3.3
188.94803	2.5
189.00720	6.6
195.03310	3.3
201.00749	10.1
203.06642	6.0
211.02774	2.5
213.04317	4.5
219.01732	46.9
221.01199	8.1
223.10791	9.7
229.48526	2.3
235.02304	5.5
237.02820	49.1
239.02271	41.4
245.12843	2.8
257.03329	28.6
260.08810	2.7
262.07095	5.1
263.01941	12.7
263.07349	16.3
281.03333	7.4
293.03354	2.8
299.02081	3.4
303.01328	4.2
304.01849	3.3
305.03012	4.2
307.04962	4.9
317.03275	8.5
318.09280	3.7
323.04385	3.4
325.06259	2.8
335.04272	2.4
339.70898	2.4
347.04410	5.6
350.18167	2.5
365.05374	22.8
379.07028	4.3
383.06494	27.6
387.62427	2.5
401.07339	5.4
421.47629	2.5
425.07208	49.7
425.19211	16.6
443.08936	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	424.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
55.05517	17.8
57.07066	1.2
61.02913	1.6
67.05492	1.9
69.03428	6.7
69.07055	1.6
69.58860	7.5
71.04990	22.5
73.06551	6.7
79.05486	2.0
80.47763	1.0
81.03403	3.7
81.07056	2.7
85.02420	1.2
85.02908	13.1
91.05470	2.1
93.07047	3.3
95.08595	4.5
96.08952	1.7
96.42304	1.1
97.02893	12.6
98.97614	1.5
99.04449	2.1
101.06012	13.8
105.07005	3.9
106.07343	1.8
107.08586	4.9
108.08865	1.3
109.02862	3.3
109.10148	2.3
119.07057	4.8
119.08592	5.2
120.08878	1.5
121.10159	2.1
125.09752	1.2
127.03896	7.9
127.11190	100.0
131.08568	2.0
132.08923	1.5
133.10091	2.0
135.08107	1.1
145.04959	6.2
145.10071	3.1
145.12227	29.0
146.10561	1.3
147.11726	1.7
159.11646	2.2
160.12094	2.1
172.12029	2.1
173.13260	2.5
176.15176	1.3
185.13141	1.5
187.14813	1.9
188.15096	2.1
195.69980	1.2
201.16422	1.9
202.16782	2.2
205.15840	1.8
245.10294	2.3
263.11276	3.6
406.31940	2.7
424.10376	2.6
424.33142	6.1
425.21310	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3621
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.2
55.05507	23.0
57.03439	3.0
57.07074	7.0
65.03940	3.0
67.05508	56.1
69.07071	28.3
69.54781	17.7
71.04989	4.5
78.09147	2.3
79.05505	22.1
81.03451	3.5
81.07059	73.8
83.04981	3.0
83.08618	15.7
91.05489	26.8
93.07046	49.3
95.04954	3.8
95.08606	100.0
97.06539	5.0
97.10156	7.1
105.07032	60.9
107.08596	79.4
109.06522	4.5
109.10162	62.5
111.08069	6.7
111.11686	3.2
117.07014	13.6
119.08583	82.7
120.14955	2.6
121.06479	4.6
121.10146	63.2
123.08059	4.3
123.11713	28.7
129.07007	6.7
130.07788	3.6
131.08578	27.9
133.10115	52.6
135.08022	3.5
135.11700	44.7
137.13249	11.7
139.11191	3.0
142.07756	3.6
143.08572	14.6
144.09300	3.4
145.10117	50.2
147.11685	44.1
149.13272	28.8
151.07437	2.5
155.08511	4.9
156.09366	6.4
157.10143	17.4
158.10966	3.5
159.11703	36.4
160.12514	2.5
161.13232	30.2
163.11162	2.7
163.14839	20.5
169.10155	6.0
171.11647	17.2
173.11819	4.3
173.13234	30.8
175.11247	4.5
175.14824	28.2
177.12720	3.8
177.16411	22.2
183.11662	8.9
185.13255	16.8
187.11240	4.1
187.14828	32.8
189.12709	3.4
189.16379	35.6
191.17911	13.3
197.13283	8.7
199.14809	14.5
201.12901	3.0
201.16440	27.0
203.14316	5.4
203.17964	34.4
205.15855	5.8
207.17412	5.0
211.14838	6.5
213.16362	8.9
214.83614	3.0
215.14304	3.4
215.17964	22.0
217.15938	3.0
217.19521	11.6
219.17570	4.6
225.16360	8.0
227.17911	11.2
229.15956	4.1
229.19577	16.6
231.17323	5.4
231.20946	2.7
237.16333	3.1
239.17952	3.2
241.19595	8.6
243.21173	9.7
251.17923	3.9
253.19543	5.2
255.21037	9.7
257.19205	2.5
257.22552	3.2
259.20605	4.5
267.21124	5.8
269.19940	2.6
269.22577	18.4
271.20731	3.0
273.22168	3.2
281.22668	3.7
283.24225	4.5
285.22202	5.9
295.24283	3.6
303.01563	3.0
309.25732	3.4
313.25311	9.9
335.27206	2.7
376.98169	3.7
377.31906	3.4
381.31534	4.5
394.99231	14.1
405.30893	7.3
405.35721	22.9
423.21121	2.7
423.27219	11.2
423.31946	23.8
423.37027	87.5
424.10263	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	423.3619
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
53.10836	1.5
55.05502	9.1
57.07064	5.4
67.05510	14.2
69.07084	15.5
71.46120	2.6
72.92178	1.6
79.05492	8.1
79.99925	1.7
81.07056	28.2
82.13306	1.9
83.08611	7.1
85.06566	1.6
91.05473	9.3
93.07038	19.7
95.08028	3.4
95.08608	41.5
97.10162	6.6
101.60174	1.6
105.07028	17.0
107.08598	41.6
107.09280	3.0
107.67001	1.5
109.06510	1.8
109.10153	25.4
109.98785	1.5
111.08075	2.4
111.11695	2.8
113.09543	1.8
117.07009	1.7
119.08588	19.6
121.10143	35.0
123.11699	16.8
129.06996	2.3
129.87027	1.8
131.08560	7.1
133.10121	22.5
135.11702	21.5
136.86499	2.1
137.13246	5.4
143.08592	3.7
145.10127	21.8
147.11691	27.5
149.13242	29.8
151.14786	2.8
157.10147	6.9
158.31731	1.7
159.11684	23.8
161.13274	11.3
163.11098	2.1
163.14792	13.3
167.41074	2.1
171.11722	8.3
173.13246	23.6
175.14810	11.4
177.16396	14.1
179.14273	1.8
183.11665	3.2
185.13271	10.8
187.14861	9.3
189.16432	7.5
191.18004	3.3
197.13347	5.4
199.14813	7.6
201.16417	7.2
203.18030	4.2
210.13255	1.7
211.14891	2.5
213.16368	8.1
215.18042	6.8
217.19626	3.4
224.55748	1.8
225.16408	3.6
227.18019	5.9
229.19437	8.3
239.17880	2.2
241.19551	7.2
243.21098	18.6
245.22914	2.5
247.20692	2.7
253.19507	2.0
255.21164	6.9
257.22647	5.1
261.22092	10.7
267.21149	6.6
269.22647	26.0
271.21310	2.0
271.24243	8.6
283.24121	14.5
285.22122	18.6
309.25922	3.5
311.27286	10.2
337.28918	3.4
349.28928	1.7
351.97003	2.2
367.30081	1.8
368.19827	1.6
382.38074	2.3
405.30368	3.4
405.35236	34.3
406.35147	2.1
423.36301	100.0
424.36569	3.3
439.13745	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3623
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
51.54932	2.1
53.03953	3.0
55.05505	13.3
57.07078	6.8
67.05502	25.0
69.07079	27.4
70.15457	6.8
70.15864	4.4
71.08648	2.2
79.05503	16.1
80.32330	1.9
81.03358	1.9
81.07064	48.4
83.08150	1.8
83.08612	11.7
91.05496	18.5
93.07051	37.7
95.05003	3.5
95.08614	69.5
97.06583	2.4
97.10168	9.3
98.21402	2.9
105.07043	36.7
107.08600	75.7
109.06516	3.5
109.10167	46.3
111.08102	5.9
111.11704	3.2
112.81189	1.9
117.07029	6.1
119.08592	37.2
121.10156	52.2
123.11711	13.4
129.07024	4.0
131.08583	13.7
133.10138	41.4
133.11026	1.2
135.08119	2.2
135.11707	32.8
137.13255	6.4
143.08586	8.2
145.10147	34.7
147.11693	36.2
149.13269	41.6
151.14848	5.0
155.08577	3.9
157.10117	13.5
158.10999	2.8
159.11725	37.6
161.13278	18.9
163.14853	22.4
169.10106	5.4
170.10968	3.3
171.11667	15.2
173.13274	35.5
175.14822	18.5
177.16386	23.6
183.11728	5.6
185.13344	11.4
187.14848	19.7
189.16373	12.2
191.17941	6.0
197.13246	7.2
199.14825	15.1
201.16443	12.6
203.17978	8.4
211.14830	4.3
213.16373	10.5
215.17993	11.5
217.19623	3.8
225.16422	5.7
227.17950	11.6
229.19533	12.2
237.16611	2.1
239.18059	3.2
241.19513	8.4
243.21056	22.3
245.22711	3.4
247.20625	3.0
251.97887	2.4
253.19504	6.4
255.21022	3.8
257.22592	5.8
259.20554	3.8
261.22263	11.4
267.20978	10.3
269.22672	37.5
271.24179	6.2
281.22665	5.9
283.24277	15.9
285.22171	29.4
295.24216	4.2
299.23761	2.8
309.25833	5.6
311.27335	10.0
337.28970	7.3
349.28946	2.4
352.81177	2.1
377.32086	4.1
405.30441	3.8
405.35254	41.5
423.36618	100.0
424.36609	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	423.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.6
57.07072	4.1
59.89009	2.1
67.05508	27.1
69.07065	18.9
70.30264	9.1
79.05495	15.1
81.07063	41.7
83.08619	12.9
85.06581	3.4
91.05484	19.9
93.07048	45.1
95.04958	3.1
95.08607	100.0
97.10168	7.0
105.06356	4.5
105.07032	45.3
107.08592	66.2
109.06537	4.2
109.10164	45.9
111.08084	4.7
117.07034	6.5
118.02272	2.8
119.07776	3.8
119.08588	59.0
121.10138	38.9
123.08078	3.9
123.11706	19.9
125.09618	3.5
129.06995	3.7
129.95404	1.9
131.08578	19.9
133.10138	41.1
135.08142	2.4
135.11690	33.6
137.13254	8.2
143.08543	7.3
145.10132	32.7
147.11707	28.4
149.13280	22.5
155.08546	2.6
156.09369	3.1
157.10147	13.4
159.11678	34.5
161.13281	27.3
163.14810	15.6
169.10172	2.5
171.11763	12.2
173.13246	25.0
175.14836	19.5
177.16389	14.8
179.14339	10.7
183.11702	2.7
185.13281	9.7
187.14836	22.7
189.16344	20.2
189.17754	2.4
191.17966	25.1
197.13152	2.3
199.14874	7.9
201.16400	29.2
203.14252	3.1
203.17984	24.0
205.15799	3.4
205.19461	5.1
207.17488	8.3
211.14799	3.6
213.16391	8.9
215.17955	27.4
217.19550	13.5
219.17479	2.8
224.15620	2.5
227.17926	6.2
229.19502	6.9
231.17496	2.4
231.21126	2.9
233.19020	4.8
239.18068	2.4
241.19298	5.0
243.21155	8.1
257.22604	4.9
267.21042	3.9
269.22681	9.0
281.22638	3.9
283.24081	6.6
297.25793	4.3
311.27292	2.5
321.25842	2.5
331.26007	2.6
374.72699	2.2
405.31149	5.4
405.35577	19.7
423.36646	75.9
424.36707	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	423.3621
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05511	10.4
57.07081	5.0
65.03953	2.2
66.80859	1.7
67.05502	20.7
69.07066	14.2
69.63444	11.5
79.05493	15.0
81.07059	32.8
81.33730	1.8
83.08636	8.2
87.65866	1.8
91.05481	13.4
93.07053	25.4
95.08604	44.6
97.10178	6.8
105.07035	23.7
107.08596	47.8
107.09269	3.2
109.10164	29.1
111.08110	4.5
111.11705	3.7
117.07057	5.1
119.08591	24.7
121.10148	36.6
123.11713	10.8
126.40569	1.8
129.07025	2.8
131.08618	8.0
133.10127	25.4
135.11707	25.2
137.13188	4.5
143.08621	3.9
144.09441	1.9
145.10135	20.8
147.11685	34.3
149.13254	31.7
149.14325	2.7
157.10130	9.2
159.11693	26.6
159.12839	2.3
161.13283	11.2
163.14842	18.5
163.15858	1.7
169.10136	3.2
170.10930	1.9
171.11726	10.6
173.13260	27.6
175.14844	13.9
177.16362	17.9
183.11755	3.2
185.13374	5.6
187.14821	13.6
189.16463	7.4
191.18018	3.5
197.13307	4.2
198.14050	2.3
199.14902	7.4
201.16492	7.2
203.17975	5.5
211.14981	3.1
213.16428	8.9
215.17941	8.6
217.19536	2.4
225.16431	4.5
227.18030	7.1
229.19603	7.7
239.18002	4.0
241.19685	5.2
243.21062	19.4
247.20609	3.6
248.96664	1.8
253.19629	3.4
255.21234	4.1
257.22705	1.9
261.22177	8.8
267.21066	8.5
269.22678	31.2
271.24408	7.0
283.24185	15.8
285.22116	23.3
290.26215	2.0
295.24149	2.2
297.25867	2.6
309.25903	2.8
311.27448	8.6
313.25269	2.2
335.27493	4.6
337.29105	4.2
349.29095	3.4
405.35284	37.0
423.36453	100.0
424.36780	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	423.3622
Annotation	Marsformosanone
Peak:m/z	Relative Intensity
55.05511	13.6
57.07075	4.5
67.05504	29.5
69.07064	21.3
70.85510	5.7
79.05501	15.6
81.07058	48.8
81.07501	3.2
83.08646	11.4
85.38619	3.0
91.05490	18.3
93.07053	42.0
95.05008	4.1
95.08611	63.6
97.10204	8.6
105.07032	40.0
105.07660	3.2
107.08596	59.0
107.09275	3.6
109.10164	44.4
111.08108	5.7
111.11739	2.6
117.07081	7.1
119.08592	40.4
121.10139	56.5
123.11705	14.7
125.13251	2.8
131.08578	16.1
133.10138	42.9
133.11018	2.4
135.11696	38.0
137.13318	7.0
143.08620	9.1
145.10106	28.6
147.11697	29.8
149.13255	38.0
149.14297	2.4
156.09322	3.2
157.10132	12.0
158.11009	3.6
159.11703	34.9
159.12793	2.6
161.13281	20.3
163.14839	21.8
167.14333	3.3
169.10251	4.9
171.11681	18.4
173.11876	4.8
173.13266	36.3
175.14906	16.7
177.16423	24.0
183.11745	4.3
185.13364	10.2
187.14833	18.7
189.16428	12.4
191.18066	6.7
197.13332	5.1
199.14844	14.7
201.16461	9.6
203.18069	8.9
211.14900	3.5
213.16525	7.3
215.18018	16.4
217.19582	2.9
225.16505	3.4
227.17920	5.4
229.19568	12.8
241.19637	7.2
243.21028	18.4
247.20656	6.0
255.21228	7.8
257.22690	6.0
261.22333	10.8
267.21100	12.7
269.22684	28.1
271.24377	5.1
281.22821	3.1
283.24197	15.2
285.22067	17.4
295.24295	2.9
297.25983	2.7
309.25980	5.0
311.27216	12.1
337.29120	3.9
349.29007	4.6
356.53506	2.6
386.07404	2.6
405.35324	37.8
423.27393	5.5
423.36530	100.0
424.36548	5.5
449.93619	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	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.2
55.01859	2.4
55.05510	19.1
55.70272	1.6
56.96554	1.6
57.07067	4.4
65.03938	2.2
67.05503	21.1
69.03423	7.4
69.07075	13.6
70.50286	3.5
70.50655	3.8
71.04987	6.9
71.08632	2.3
73.06518	1.6
78.67063	1.6
79.05492	21.3
81.03386	2.3
81.07060	42.5
82.21941	1.7
83.04987	5.1
83.08613	6.9
85.02925	8.8
85.06538	5.0
87.28116	1.5
91.05480	28.0
93.07050	43.7
93.26201	1.7
95.04980	5.7
95.08608	54.9
97.02887	3.8
97.06527	4.8
99.08102	20.1
101.06000	2.1
103.05468	3.0
105.07029	68.6
107.04945	1.9
107.08600	61.2
109.02874	2.1
109.06512	6.9
109.10165	31.7
111.08085	5.5
113.09624	2.4
115.05456	1.9
115.07584	1.7
116.06245	2.1
116.81681	1.6
117.07027	16.9
119.08585	100.0
121.06501	4.9
121.10154	36.2
123.08070	5.3
123.11704	12.9
125.09650	5.9
127.03901	4.4
127.11189	17.7
128.06227	2.1
129.07021	7.3
130.07794	3.0
131.04980	1.6
131.08574	64.0
133.10133	44.9
135.08058	4.4
135.11690	19.6
137.05902	1.7
137.09651	3.9
141.06969	3.5
142.07773	4.7
143.08572	19.8
144.09334	4.6
145.10124	62.4
145.12238	4.7
147.08026	5.0
147.10588	1.5
147.11690	36.2
149.09637	4.8
149.13251	11.8
150.13519	2.1
151.11235	3.9
153.01918	2.1
155.08565	5.6
156.09341	3.2
157.10121	26.3
158.10886	4.9
159.08069	2.3
159.11693	47.7
160.12349	1.8
161.09637	4.4
161.13266	22.3
163.11159	3.8
163.14833	12.2
165.09132	2.5
167.08571	2.2
168.97000	1.6
169.10153	9.6
170.10889	4.0
171.11697	21.4
172.12415	3.4
173.09650	3.0
173.13271	51.2
175.11177	4.2
175.14825	27.9
177.12796	5.9
177.16367	15.3
181.10117	4.7
182.10860	2.7
183.11732	10.4
185.13271	35.1
187.11220	3.2
187.14824	68.6
189.16394	24.0
191.14293	10.4
193.15985	2.0
195.11691	5.0
197.13266	6.6
199.14812	23.5
201.12761	4.2
201.16394	50.8
203.14320	19.4
203.17929	8.7
205.15813	10.1
207.17361	3.8
209.13272	4.6
211.14783	9.9
213.16357	10.8
215.14333	4.4
215.17966	7.7
217.15904	6.3
221.08078	2.1
221.15450	4.2
223.14883	3.2
225.16440	7.8
227.17934	6.1
229.15912	12.3
231.17447	4.4
237.16420	2.1
239.17989	4.6
241.19518	3.9
243.17558	7.8
251.17999	3.7
253.19601	4.4
255.21117	3.7
257.19055	2.4
263.39645	1.7
265.19354	3.6
267.20993	2.2
269.19067	2.1
277.19333	2.3
281.22507	2.2
283.20529	5.2
311.23883	1.9
314.16623	1.7
317.22504	2.2
333.25723	3.1
335.23813	2.7
347.27103	2.0
351.26709	7.7
377.32205	2.5
387.30508	6.7
393.31671	4.7
394.99152	2.6
395.33270	2.3
405.31577	29.8
423.20270	10.6
423.32590	75.9
424.10257	2.4
424.33072	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	11.3
57.07058	7.6
61.28356	2.3
64.30355	1.9
65.72503	2.0
67.05501	16.3
69.07075	19.5
69.75620	12.2
79.05483	12.5
79.31552	1.9
81.07063	49.3
83.08600	8.4
86.04678	2.8
89.05986	2.2
91.05498	10.3
93.07047	34.6
95.08615	65.4
97.10165	5.2
105.07034	30.6
107.08598	41.4
109.10153	28.1
117.07010	6.4
119.08591	40.4
121.10148	22.9
123.11731	12.7
129.07045	3.3
131.08577	15.3
133.10143	33.0
135.11667	11.2
137.13251	25.0
143.08525	8.0
144.09276	4.1
145.10112	25.1
147.11678	20.6
149.12148	3.1
149.13260	29.2
153.09135	2.3
157.10138	8.8
159.11703	15.9
161.13309	11.0
163.14812	27.5
169.10071	5.1
171.11676	8.2
173.13220	11.6
175.14847	20.2
177.09097	2.2
177.16411	12.9
183.11655	5.0
185.13268	5.7
187.14839	39.4
189.16393	51.4
191.17908	2.3
197.13135	2.8
199.14806	3.8
201.16402	24.6
203.17926	11.9
211.14803	2.8
213.16325	7.7
215.17986	10.6
217.19423	2.4
222.84068	2.7
225.16194	3.0
227.17976	13.8
229.15741	2.7
229.19550	5.4
239.18108	2.6
241.19501	7.6
247.16928	6.3
249.18550	2.7
253.19533	3.0
255.21001	3.5
273.18384	6.6
281.22681	5.7
299.19916	6.5
377.32068	44.2
423.32449	100.0
423.37665	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	423.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.7
55.05508	15.6
57.03440	2.0
57.07075	4.0
57.38044	1.0
63.02373	1.1
65.03954	2.4
67.05505	30.8
69.01015	1.3
69.03445	2.2
69.07068	25.4
69.88692	5.7
70.04078	1.7
71.04980	1.3
79.05490	24.1
81.07058	53.1
83.05025	1.1
83.08621	11.1
85.06519	2.5
91.05482	25.0
93.07048	46.8
95.04971	4.1
95.08608	70.5
97.06534	3.8
97.10162	3.7
98.20790	1.2
103.05489	2.3
105.07033	58.3
105.07751	2.9
107.08596	67.6
109.06525	3.1
109.10157	35.8
111.08087	6.9
115.05442	1.9
117.07005	8.8
119.08583	75.9
121.06511	2.6
121.10147	53.4
123.08083	5.0
123.11720	12.8
125.05981	2.2
125.09673	2.6
128.06244	1.9
129.07010	7.3
130.07797	2.5
131.08568	36.0
133.10133	44.6
135.08070	3.3
135.11690	21.6
137.09644	3.5
137.13298	2.3
139.07549	11.3
141.07091	2.1
142.07782	3.6
143.08556	19.5
144.09320	2.0
145.10127	61.5
146.10558	1.6
147.08051	1.2
147.11690	28.9
149.09657	5.6
149.13263	33.4
151.11183	1.4
151.14789	1.6
153.09122	3.7
155.08572	4.8
156.09372	3.3
157.10120	21.9
158.10893	3.5
159.08072	1.9
159.11703	36.5
160.12442	1.4
161.09662	2.8
161.13271	25.1
163.11211	5.0
163.14824	36.7
165.09137	1.8
165.12791	2.5
167.08627	1.4
167.10756	1.6
168.09474	1.4
169.10121	8.7
170.10938	3.1
171.11697	12.3
172.12549	3.1
173.09616	1.6
173.11830	2.1
173.13257	26.8
173.14647	2.1
174.13661	1.5
175.11266	2.9
175.14839	27.3
177.12842	4.1
177.16383	59.7
179.10587	2.9
179.14297	1.6
181.10278	1.7
181.12268	3.1
182.11014	1.5
183.11682	7.5
185.09628	1.3
185.13271	13.3
187.14822	98.5
188.15176	2.7
189.12752	5.0
189.16393	39.7
191.14360	4.5
191.17950	5.6
193.04819	1.3
193.10193	1.9
193.12265	2.1
193.15924	4.8
195.11690	2.8
195.13774	1.4
196.12415	2.0
197.13223	6.0
199.11275	2.1
199.14815	8.8
201.12784	5.1
201.16405	30.5
202.68652	1.2
203.14380	4.2
203.17961	16.6
205.15895	4.4
207.13910	1.4
209.13264	4.2
211.14757	5.7
213.16402	16.3
214.17242	1.5
215.14362	4.8
215.17920	10.4
217.15947	3.4
217.19608	1.8
221.15341	2.8
223.14862	2.3
225.16510	3.8
227.14375	2.9
227.18025	4.9
229.15906	4.5
229.19493	6.5
231.17432	12.7
233.15396	5.7
235.14857	1.8
235.16991	2.1
237.16391	2.6
239.17984	2.9
241.19482	5.6
243.17432	2.0
245.15392	2.5
245.19086	1.3
247.16994	5.2
249.18498	50.0
250.19087	1.5
251.18005	2.0
253.19478	5.6
255.21188	4.1
263.18002	2.0
267.21115	3.0
273.18466	2.3
281.22757	1.7
295.24295	2.0
299.20126	2.1
307.24210	2.8
309.25803	2.4
311.20062	1.5
321.25888	1.5
335.27118	1.4
347.27652	1.6
377.31964	9.9
381.27850	1.7
387.30621	5.5
394.99283	3.0
405.31497	27.0
405.36249	2.0
405.78140	1.6
423.32645	100.0
424.32761	2.6
439.50876	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55339	1.5
53.03935	2.9
54.84118	1.3
55.05297	1.8
55.05519	20.7
56.96572	1.7
57.03426	3.2
57.07060	4.9
59.05014	2.2
59.79776	1.5
61.47071	1.5
65.03941	4.5
67.05508	100.0
69.03425	1.6
69.07072	23.6
70.06614	1.4
71.04971	4.7
71.60971	2.4
72.44136	1.4
75.58998	1.5
79.05492	26.9
81.07059	89.7
83.04983	4.3
83.08618	15.3
85.06556	2.3
87.40665	1.4
88.07617	2.2
91.05480	31.8
93.07048	52.8
95.04951	5.2
95.08614	75.4
97.06561	3.4
97.10166	4.3
99.08068	2.8
105.07037	54.5
107.08597	64.8
109.06494	2.0
109.10161	79.9
111.08054	7.7
115.05454	3.1
117.07015	11.3
119.08587	87.8
121.06529	2.5
121.10150	47.4
123.08079	1.9
123.11734	9.9
129.07013	2.9
130.07738	2.8
131.08571	41.1
133.10133	59.4
135.11696	24.2
137.09636	2.4
137.13235	2.8
142.58943	1.7
143.08592	9.4
144.09334	2.9
145.10127	74.9
145.36014	1.5
146.10577	1.7
147.11694	37.1
149.02319	7.0
149.09729	1.8
149.13264	21.9
150.02788	2.7
151.07501	1.9
153.09103	5.5
155.08597	1.9
155.10670	5.0
157.10123	9.0
158.10913	3.5
159.11699	38.6
161.13272	34.6
163.14810	17.2
165.09186	2.1
167.10721	2.1
169.10138	4.9
170.10825	1.7
171.11690	6.7
172.12440	2.8
173.11743	11.4
173.13258	43.8
174.13921	1.8
175.14835	46.6
177.12755	4.4
177.16382	16.5
183.11607	1.8
185.13258	8.6
187.14830	56.8
189.16389	87.8
191.17952	5.3
193.04945	5.3
193.15733	1.9
194.05275	5.0
195.11745	1.5
195.13785	7.0
199.14873	9.6
201.16394	43.8
203.14330	6.0
203.17950	29.5
205.15883	2.1
205.19479	3.6
209.13339	1.7
211.14949	1.7
213.16406	8.8
215.17964	19.2
217.15785	1.8
219.21086	2.2
221.15311	3.2
221.18980	2.1
225.16400	2.4
227.18011	2.3
229.16013	2.2
229.19484	6.8
231.17642	2.3
233.15434	2.4
235.17032	1.9
239.17877	2.1
241.19553	3.3
243.21072	2.3
247.16951	6.4
249.18484	4.7
253.19756	2.0
255.20943	2.5
256.26303	2.4
257.22461	2.1
257.26617	5.7
261.18475	4.2
267.21014	1.8
269.10510	2.5
270.10995	2.3
281.22723	3.8
283.23920	1.9
301.21451	1.9
316.62091	2.6
327.23303	1.9
343.26151	2.9
377.31976	19.2
394.99261	7.0
405.31711	4.6
423.27512	31.8
423.32510	95.5
424.33286	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.1
55.01879	1.6
55.05514	13.6
55.50333	0.9
57.03450	2.5
57.07068	2.7
57.61653	1.0
59.04996	2.6
60.57477	1.0
65.03946	3.2
67.05508	100.0
69.03419	1.8
69.07076	14.4
71.04993	4.6
79.05492	21.9
81.07060	57.8
83.04972	4.6
83.08624	10.0
85.06532	4.1
91.05486	19.2
93.07050	31.4
95.04951	3.5
95.08614	29.6
97.06535	4.4
97.10182	2.4
99.08129	1.1
105.07043	16.3
107.04973	2.4
107.08596	30.8
109.06548	2.6
109.10160	60.1
111.04331	0.9
111.08099	5.0
111.11748	1.2
112.67889	0.9
113.06019	1.2
117.07018	7.6
119.08586	22.4
121.06496	2.8
121.10152	17.9
123.08071	2.5
123.11689	5.5
125.05991	1.3
125.09603	1.3
126.89168	1.0
129.06998	1.6
131.08571	10.3
133.10126	15.5
135.08104	1.1
135.11703	12.4
136.45638	1.0
137.09610	3.3
137.13295	1.5
138.52708	1.2
143.08569	5.1
145.10127	10.2
147.11688	7.2
149.05994	2.1
149.09641	1.4
149.13281	18.0
151.11230	2.1
153.07140	1.0
155.08592	1.5
155.10678	4.6
157.10127	4.3
159.11691	13.2
161.13240	5.6
163.14862	5.3
165.12692	1.0
169.10201	1.8
171.11726	5.0
173.11743	18.7
173.13295	6.6
175.14848	4.6
177.12749	3.7
177.16406	3.0
183.11751	3.1
185.13289	2.3
187.11223	1.3
187.14798	6.9
189.12772	1.4
189.16415	6.4
191.14278	1.9
191.17964	2.5
195.13763	7.3
197.13269	1.8
199.14822	3.3
201.12785	1.4
201.16356	5.9
203.14349	2.3
203.18013	4.3
205.15950	1.7
211.14803	1.9
213.16446	2.6
215.17993	3.5
217.15707	1.5
223.14893	1.4
225.16539	1.6
227.17886	2.0
233.19240	1.2
237.16548	1.2
239.17952	2.1
251.18005	1.5
253.19627	1.8
255.21089	1.9
265.19543	1.6
377.32022	1.8
382.44629	1.1
387.30408	1.7
394.99176	5.5
395.32718	1.3
405.31158	5.3
423.27362	40.0
423.32657	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	423.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85137	0.3
52.71091	0.3
63.22891	0.3
69.60866	2.3
82.78439	0.4
91.14331	0.3
98.21514	0.7
103.38341	0.4
104.64192	0.3
123.85336	0.4
141.16124	0.4
250.04713	0.4
261.13107	12.8
275.20239	0.4
280.38647	0.4
325.06747	0.4
423.18381	100.0
424.18945	3.1
424.40585	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
59.87248	0.5
66.04708	0.7
67.05502	1.2
69.03438	1.2
69.07070	0.5
69.84833	2.7
69.87521	0.5
71.04979	2.1
78.04707	4.6
78.73468	0.5
79.05505	4.2
79.27337	0.5
81.03412	1.5
81.07053	1.5
83.04951	0.8
85.02898	0.9
85.06540	0.6
86.09730	0.9
89.06011	0.6
91.05476	3.2
93.07045	1.0
94.04151	0.7
95.04986	1.3
95.08585	0.8
97.02882	1.1
103.05482	5.4
105.07039	5.5
106.04152	1.8
107.04962	8.3
107.08619	0.9
109.02876	0.8
109.06520	1.1
112.03968	3.4
115.05466	1.9
117.07066	1.2
118.04198	0.6
119.04944	1.8
119.08613	0.6
121.06507	2.1
121.10126	0.7
123.04435	9.3
123.08077	1.2
124.05222	3.2
124.11251	0.7
125.05946	0.8
127.03918	3.2
127.11187	3.9
128.06215	0.6
129.07001	1.0
131.04935	6.7
131.08543	0.9
132.05719	0.5
133.06494	5.9
134.03651	0.9
135.04352	0.6
135.08029	1.6
137.05978	3.3
140.03442	7.2
141.06979	1.2
143.08578	0.9
144.05740	0.9
145.06487	2.3
145.10085	0.7
145.12202	0.7
147.04413	3.9
147.08026	0.7
149.05952	0.7
151.03888	2.3
151.07530	3.0
152.04684	2.1
153.01808	0.8
153.05444	1.1
158.07263	1.5
159.08072	0.9
161.05992	6.5
163.03905	2.5
163.07549	13.5
167.07048	100.0
168.07498	1.2
173.05994	1.7
173.09642	1.2
175.07578	2.2
177.05573	0.6
177.09082	1.8
179.07086	2.0
181.08572	3.7
187.07597	2.8
189.09270	0.9
192.07755	1.0
193.08556	14.9
201.09131	1.9
203.08644	0.7
205.08636	1.1
210.03723	0.6
217.08578	0.7
218.52150	0.5
219.10159	1.3
226.15199	0.9
231.07996	0.6
233.11777	2.6
237.11253	2.3
261.12778	1.9
263.10693	1.5
291.10217	1.2
291.16943	2.1
295.13080	0.7
323.12854	2.3
355.15393	2.4
365.15799	1.0
387.17944	0.9
417.65720	0.7
423.14752	2.7
423.20831	3.8
423.32727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34200	1.8
55.01859	2.7
57.07054	1.8
61.01153	10.2
69.03445	1.9
70.97798	4.1
72.04530	12.7
73.02904	2.3
78.03795	16.3
81.03400	2.1
83.04964	2.5
85.02896	10.8
85.06538	2.0
86.06061	2.0
88.02195	4.9
91.05468	5.0
95.04926	3.4
98.02401	3.5
99.04438	6.4
102.03763	21.8
103.02114	2.1
103.03939	17.3
107.04948	3.3
109.02863	5.9
113.05936	2.0
113.84637	1.8
114.03724	5.0
119.08610	1.6
120.04784	5.1
123.04430	1.8
126.05517	20.5
127.03902	6.8
131.06387	12.8
132.04794	17.6
142.08640	6.2
149.07442	62.0
152.07043	2.8
154.02014	1.6
154.08612	3.6
159.05911	3.4
175.05412	5.2
180.06569	16.7
198.07632	4.6
216.08612	3.7
231.11685	3.9
243.11537	2.6
243.15034	3.5
261.12656	4.1
275.10413	2.0
293.11670	100.0
327.09717	2.9
345.10654	2.3
387.11749	3.9
405.12823	3.0
405.17044	34.5
423.15869	5.1
423.21625	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	422.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
61.02905	0.9
62.54504	0.6
66.51025	0.6
69.03426	4.3
70.85023	1.5
70.85384	1.1
78.40063	0.6
78.45326	0.6
78.70847	0.7
79.01846	1.7
81.03416	5.6
85.02917	4.8
91.05476	1.9
93.60610	0.7
97.02892	5.4
97.08899	0.8
99.04481	1.1
107.01305	1.6
107.04957	4.7
109.02896	5.7
110.20921	0.6
115.15849	0.7
117.07047	0.8
122.09681	1.4
123.02107	0.6
123.10455	2.0
125.02356	2.5
127.03914	6.5
135.08069	1.0
136.11203	5.3
138.05515	1.8
139.05916	0.8
143.03362	3.4
145.04982	1.6
145.06473	1.0
150.12773	3.2
151.13556	7.0
153.01836	100.0
154.02159	1.5
163.07544	2.0
171.02893	13.1
186.09058	0.6
186.12721	0.8
206.74861	0.6
255.11389	1.3
260.09280	1.0
297.06046	7.2
301.11862	1.3
305.32822	0.8
311.05923	0.6
315.07077	13.8
398.66815	0.7
422.05078	2.7
422.16949	0.9
422.21939	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	422.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.9
55.01867	2.2
55.05508	4.6
65.88065	1.4
67.05514	2.3
68.05018	1.4
69.03432	6.1
69.07069	5.5
70.06587	2.9
71.05004	16.8
71.61182	1.2
71.61574	1.4
72.54296	1.5
73.02896	1.5
79.05515	4.0
80.13367	1.2
81.07047	6.9
83.05000	4.2
83.08617	3.5
85.02905	8.8
85.06575	2.0
91.05474	4.9
93.07048	3.5
95.04976	2.9
95.08585	7.4
97.02894	4.6
97.06577	1.8
98.97578	1.7
99.04462	48.0
105.07024	6.8
107.08603	18.1
109.02915	2.7
109.06522	11.8
109.10166	2.6
111.08112	2.8
112.04006	2.9
113.05914	1.9
113.09658	4.1
114.05512	3.5
115.07578	1.5
119.08565	2.5
121.06506	4.2
121.10137	5.9
123.08093	11.3
123.11716	7.3
124.03954	2.6
125.06077	1.5
125.09632	6.4
127.03869	3.5
131.08539	1.7
131.29051	1.3
133.10179	1.6
137.05972	4.1
137.09596	2.2
138.09093	1.6
139.11203	1.8
140.03418	5.1
145.04904	1.7
145.10190	1.8
147.04433	4.2
147.08025	1.5
147.11655	5.5
149.09656	5.9
153.01830	2.7
161.09590	1.4
163.11191	2.9
164.07043	2.1
165.12746	8.4
166.08630	3.1
167.07011	4.4
167.10663	16.4
179.10710	1.6
183.13800	16.6
189.12721	2.8
197.08095	4.0
197.11797	2.2
207.13817	5.3
225.11258	4.3
225.14865	100.0
226.15170	1.8
243.15903	3.5
260.05612	1.6
260.09457	1.7
260.12836	3.0
261.07376	18.6
282.85199	1.5
354.07983	2.9
422.13727	2.9
423.12637	6.3
429.61978	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03438	0.7
61.02905	0.9
62.54504	0.6
66.51025	0.6
69.03426	4.3
70.85023	1.5
70.85384	1.1
78.40063	0.6
78.45326	0.6
78.70847	0.7
79.01846	1.7
81.03416	5.6
85.02917	4.8
91.05476	1.9
93.60610	0.7
97.02892	5.4
97.08899	0.8
99.04481	1.1
107.01305	1.6
107.04957	4.7
109.02896	5.7
110.20921	0.6
115.15849	0.7
117.07047	0.8
122.09681	1.4
123.02107	0.6
123.10455	2.0
125.02356	2.5
127.03914	6.5
135.08069	1.0
136.11203	5.3
138.05515	1.8
139.05916	0.8
143.03362	3.4
145.04982	1.6
145.06473	1.0
150.12773	3.2
151.13556	7.0
153.01836	100.0
154.02159	1.5
163.07544	2.0
171.02893	13.1
186.09058	0.6
186.12721	0.8
206.74861	0.6
255.11389	1.3
260.09280	1.0
297.06046	7.2
301.11862	1.3
305.32822	0.8
311.05923	0.6
315.07077	13.8
398.66815	0.7
422.05078	2.7
422.16949	0.9
422.21939	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	422.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02303	0.6
61.18641	0.7
66.31429	0.6
67.05492	0.7
67.60531	0.5
69.03432	1.2
69.69610	4.3
70.06588	0.8
81.03420	1.3
85.02907	4.2
91.03950	0.5
91.05495	0.9
95.52509	0.6
97.02874	2.0
98.09693	0.8
99.05565	0.7
99.10059	0.6
106.22878	0.6
107.04994	0.8
115.05051	2.3
117.07038	1.5
124.11239	0.7
127.03917	1.7
127.04989	1.2
130.06529	24.8
132.06866	1.6
134.06000	1.9
144.98097	0.6
145.05016	0.8
145.05424	0.8
145.06487	4.8
146.06004	3.8
153.01848	1.5
155.42529	0.5
157.07623	71.6
158.05997	1.7
158.08002	1.3
163.07541	4.6
169.07590	0.8
170.06010	1.1
175.08737	0.6
185.07124	4.9
191.62465	0.6
199.08644	0.6
214.09778	12.4
242.09254	100.0
243.09605	2.5
260.10342	12.8
260.16470	2.0
284.10327	1.1
301.11893	0.9
338.11334	0.7
362.11868	1.1
386.13458	0.9
422.17157	0.9
422.21930	7.0
441.85501	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01872	11.6
55.05513	13.9
57.07084	16.7
67.05493	11.6
69.07076	23.0
71.08640	11.9
71.61888	3.3
79.05489	14.4
81.07058	55.2
83.04985	8.4
83.08631	13.4
85.10191	5.3
89.06025	7.9
91.05480	4.5
93.07050	7.7
95.04958	2.8
95.08607	20.2
97.06556	3.3
97.10133	11.9
98.37514	2.3
99.04455	3.4
105.07025	8.7
106.25510	2.2
107.08590	10.9
109.06531	18.3
109.10148	10.6
111.04411	3.9
111.08123	2.5
111.11720	5.8
119.08604	9.8
121.10158	8.6
123.08118	2.6
123.11717	3.8
125.05994	19.7
126.20390	2.5
133.10139	5.2
135.08058	2.6
135.11708	3.2
137.05983	100.0
139.07564	3.2
145.10062	3.6
147.11674	7.1
150.65135	2.6
151.07588	2.7
155.07072	5.8
160.63643	2.5
161.09639	5.8
161.13264	8.0
163.14819	3.2
171.11687	3.3
175.11162	4.2
175.15031	2.7
177.16292	2.5
189.12694	2.4
193.12096	2.7
203.18048	2.8
207.13914	3.3
215.65857	2.4
249.18726	2.8
308.24341	2.5
341.26611	4.7
374.19922	2.7
375.36258	4.1
401.46341	3.0
403.35574	7.3
421.36838	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3678
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03937	1.0
55.05513	17.2
57.03424	1.8
57.07079	8.1
67.05508	7.6
69.03436	1.3
69.06718	1.9
69.07072	31.6
69.22582	10.5
71.08618	4.2
79.05494	2.4
81.07055	12.8
83.01342	11.2
83.04976	2.3
83.08617	15.3
85.06510	1.6
89.06019	2.6
91.05501	2.6
93.07047	5.5
95.08616	14.2
97.06523	4.3
97.10180	9.2
98.20687	2.3
105.07047	2.4
107.08578	7.0
109.06518	1.9
109.10159	7.9
111.04434	1.0
111.08096	4.6
111.11687	3.1
119.08578	3.7
121.06503	2.4
121.10151	6.6
123.08099	6.8
123.11709	3.8
125.06004	8.1
125.09622	7.2
125.13279	1.2
126.06804	1.2
127.07562	4.1
131.08551	1.9
133.08603	1.8
133.10120	2.5
135.08057	1.8
135.11697	2.7
137.09608	3.8
137.13257	1.5
139.07541	28.5
139.11206	4.1
145.10165	1.6
147.11707	1.5
149.04495	1.0
149.09595	2.0
149.13239	2.4
151.11194	7.6
151.14783	1.3
153.09096	5.5
153.12718	2.9
157.10158	1.2
159.11755	2.0
161.13239	1.4
163.11156	2.1
163.14796	1.5
165.12762	1.7
167.10701	8.7
167.14343	1.0
171.11667	1.1
173.13239	1.0
177.12723	2.6
179.14301	2.1
181.12254	13.6
189.16406	1.0
191.14282	1.1
193.12363	1.2
195.13831	12.6
207.13715	4.6
209.15353	6.0
221.15460	1.3
223.17021	4.7
237.18510	2.5
251.20085	3.3
265.21698	6.6
277.21655	1.3
279.23184	2.7
291.23172	1.8
293.24698	2.3
307.26285	1.1
321.27740	1.4
344.79056	1.1
347.29453	1.9
385.34698	3.0
403.35730	39.2
421.30930	11.0
421.36731	100.0
422.37085	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	421.3677
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
50.35642	1.2
52.35163	1.0
53.03948	1.7
55.01868	3.3
55.05512	12.3
57.03439	1.1
57.07076	7.3
60.21831	0.9
65.03944	1.1
67.05212	1.3
67.05515	15.3
69.06707	1.4
69.07072	19.6
69.77355	6.3
71.08634	4.6
73.58121	0.9
79.05484	2.4
81.07056	3.7
83.04971	1.3
83.08620	10.2
85.10182	2.3
89.05993	1.2
91.05498	7.8
93.07051	47.3
95.04961	2.3
95.08612	31.1
97.06497	1.0
97.10175	5.6
98.21456	1.9
105.07028	2.7
107.08604	6.1
109.06494	1.5
109.10133	4.6
111.08088	24.4
111.11707	2.1
119.08576	1.6
121.06499	4.6
121.10129	2.1
123.08093	2.2
123.11722	2.0
125.09641	2.7
127.07542	5.1
132.20157	1.0
133.10118	1.2
135.08069	1.3
135.11700	2.1
137.09615	1.1
139.07547	25.4
145.10175	1.1
147.11787	1.0
151.11223	2.2
153.09091	12.3
157.08630	1.6
159.29102	1.0
167.10690	9.2
181.12245	8.4
193.12263	2.5
195.13779	8.0
204.10071	1.1
207.13803	3.2
209.15443	3.2
221.15419	1.4
223.17020	3.3
237.18474	1.5
251.20149	2.1
265.18890	0.9
265.21732	3.0
279.23212	2.3
321.28036	1.2
335.29672	1.2
385.34210	1.3
403.35748	41.5
404.36182	2.4
421.36789	100.0
422.37161	4.5
449.74536	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	13.1
57.07058	13.5
60.22509	4.2
61.82042	4.0
63.02889	4.5
64.62546	3.8
67.05508	31.6
69.07066	29.9
79.05486	18.5
81.07065	65.5
83.08614	11.1
89.06012	15.7
91.05476	19.6
93.07038	32.9
93.81561	4.8
95.04963	7.7
95.08614	100.0
97.10156	5.0
105.07024	36.9
107.08600	40.5
109.10169	39.7
117.06973	10.8
119.08596	47.5
121.10161	38.1
123.11701	19.2
131.08548	19.2
133.08574	8.2
133.10132	26.2
135.11723	21.9
137.09511	4.2
137.13240	8.9
143.08546	16.1
145.10149	37.4
147.11722	24.6
149.13272	30.1
151.14842	7.0
157.10126	12.7
159.11746	22.7
161.13219	15.4
163.14824	16.9
171.11629	11.9
173.13165	20.3
175.14833	15.9
177.16365	18.3
183.11688	6.5
185.13289	11.7
187.14821	15.1
189.12750	4.3
189.16399	15.0
191.17914	7.3
197.13213	11.9
199.14842	10.4
201.16341	17.2
202.34995	5.5
203.17950	15.5
211.14861	6.8
213.16338	10.2
214.60458	4.1
215.17911	15.7
217.19502	9.2
225.16301	5.1
227.17975	10.0
229.19502	12.0
241.19580	22.2
243.21201	13.2
245.18773	4.3
253.19519	7.7
255.21211	9.9
269.19156	10.2
269.22305	10.3
272.03070	4.2
279.23703	4.3
283.82404	4.1
285.21936	5.4
295.24338	4.1
301.80939	5.6
307.99564	4.5
341.26447	5.1
393.35446	34.6
403.33798	10.1
421.34860	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	421.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	10.5
57.07081	7.2
60.70382	1.6
67.05502	13.7
69.07066	18.9
69.94521	6.5
71.08624	4.1
75.03204	1.7
79.05492	12.0
81.07058	31.4
83.08629	5.4
85.06554	1.6
85.10217	1.5
87.90847	1.4
89.06018	11.0
91.05477	9.2
93.07047	26.5
95.04976	2.6
95.08605	42.4
97.06524	1.4
97.10183	5.4
97.44897	1.6
100.94218	1.5
105.07031	26.7
107.08594	32.3
107.09279	2.4
109.06534	1.8
109.10160	21.3
111.11770	1.4
117.07049	4.3
119.08578	20.9
121.06496	1.3
121.10143	27.8
121.26287	1.8
123.08031	1.9
123.11745	7.2
125.09682	1.5
128.06180	1.5
129.07007	5.1
131.08574	11.0
133.08627	6.3
133.10133	18.8
135.11699	12.8
137.09520	1.8
137.13286	5.9
139.11131	1.8
141.07025	1.4
142.07849	1.7
143.08580	10.1
145.10120	17.5
147.11710	12.4
149.13277	15.7
151.14780	2.2
155.08548	3.6
156.09340	2.9
157.10110	16.1
159.11699	16.8
161.13226	10.7
163.14825	13.1
165.12813	2.0
168.09167	1.7
169.10175	4.6
170.10956	2.3
171.11700	14.2
172.12447	1.9
173.13301	14.6
175.14821	9.9
177.16374	31.3
181.10265	2.9
183.11717	9.8
185.13272	10.3
187.14809	15.1
189.16403	12.9
191.18010	3.6
195.11739	3.2
195.75685	1.5
197.13329	7.8
199.14772	7.7
201.16362	10.9
203.14337	2.1
203.17990	5.0
207.11771	1.9
208.12575	1.7
209.13271	5.8
211.14841	5.3
213.16400	9.9
215.17960	8.4
217.19572	1.7
221.13266	1.8
223.14871	4.8
225.16443	4.8
227.17935	8.5
229.19591	5.7
231.17439	2.2
235.14948	1.6
237.16382	4.4
239.14821	2.4
239.17953	4.7
241.19466	12.0
243.21149	3.2
245.19106	5.4
251.18062	4.9
253.19595	3.3
255.21315	1.6
259.20602	11.0
265.19467	17.7
266.20547	3.6
267.21127	6.8
269.22769	8.0
279.21078	3.5
283.20578	18.5
283.23679	2.6
293.22784	2.2
295.24283	5.6
323.27444	2.7
333.25882	5.2
335.27463	2.0
347.27173	3.2
349.29074	1.9
361.28830	2.6
375.30652	2.0
393.35483	1.8
403.33594	49.9
421.34741	100.0
422.35086	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	421.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.8
55.05522	10.7
57.07080	11.2
67.05511	15.3
69.07080	19.2
71.08640	6.0
71.62181	2.4
73.05729	1.3
79.05497	10.0
79.38583	1.5
81.07064	31.4
82.46407	1.3
83.08613	7.6
85.06564	1.6
85.10168	3.1
86.59033	1.4
89.06023	9.5
91.05489	13.5
93.07048	24.2
95.04955	2.5
95.08615	53.1
97.10194	3.9
105.07039	47.0
107.08607	38.0
109.10159	27.2
117.07064	6.3
119.08591	49.2
121.10155	31.0
123.11729	10.5
128.06281	1.9
129.07063	2.5
130.07887	1.5
131.08580	15.0
133.08601	5.9
133.09143	2.0
133.10135	36.7
135.11703	15.6
137.09648	1.7
137.13298	6.0
142.07852	2.1
143.08600	6.4
144.09329	1.9
145.10127	28.2
147.11696	30.3
149.13274	26.6
151.14857	2.7
155.08583	3.7
157.10138	10.7
158.02621	1.7
159.11687	23.4
159.12839	2.2
161.13284	18.5
163.11256	1.9
163.14851	9.0
169.10156	3.4
171.11638	6.9
172.12471	1.9
173.09724	1.8
173.13272	16.0
175.14830	14.6
177.16362	13.1
183.11731	3.6
185.13318	3.9
187.14839	9.6
188.15369	1.6
189.16396	20.0
189.17900	1.9
191.14391	2.3
191.17924	9.8
195.11691	1.6
197.13364	3.8
197.67117	1.4
199.14911	6.2
201.16379	30.2
203.17975	91.3
205.15990	3.2
209.13275	2.8
211.14894	3.1
213.16472	5.6
215.17993	13.8
217.16292	1.9
217.19562	6.0
225.16438	2.1
227.17998	6.7
229.19603	4.0
231.13947	1.7
231.17487	2.6
233.18941	2.1
239.14987	1.8
239.18079	2.3
241.19630	5.4
243.17513	2.9
243.21135	2.9
245.19080	3.1
251.18019	2.1
253.19623	2.2
255.21216	4.9
257.19052	3.0
257.22736	2.7
267.21100	2.5
269.19000	1.8
269.22858	2.3
271.20792	1.9
281.22717	1.6
283.20715	1.9
329.21191	2.8
337.25311	1.5
393.35400	17.4
403.33658	7.9
403.49548	1.5
421.34830	100.0
422.34927	1.9
435.37619	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02019	1.5
53.54421	1.6
55.05507	9.2
57.07072	4.4
65.72972	1.6
67.05515	16.1
69.07070	18.5
75.97526	1.5
79.05495	14.3
81.07055	35.5
81.07497	2.3
83.08633	8.9
85.06551	2.5
91.05486	10.8
93.07057	23.8
95.08613	53.3
97.10207	5.2
105.07035	23.8
107.08598	36.7
107.09258	2.4
109.10154	21.6
111.11714	2.0
117.07040	6.6
118.87836	1.5
119.08591	26.1
121.10145	27.9
122.09496	1.6
123.11786	5.7
129.07014	3.7
131.08572	11.8
133.10132	21.4
135.11714	12.2
137.09680	2.3
137.13336	6.6
142.07805	2.0
143.08585	12.1
145.10130	20.9
147.11667	13.3
149.13280	18.5
151.14870	2.9
155.08629	3.2
156.09413	4.4
157.10115	18.2
158.10979	2.3
159.11702	18.0
161.13283	12.8
163.14838	16.0
167.08670	2.1
169.10205	5.2
170.10959	2.5
171.11708	24.0
172.12531	3.1
173.13242	15.3
175.14879	11.8
177.16385	40.3
181.10222	2.5
182.10997	2.5
183.11714	13.6
184.12614	2.4
185.13275	17.4
185.14565	1.8
187.14819	20.2
189.16400	17.4
191.17998	3.9
193.10336	1.6
194.10934	1.5
195.11783	5.0
196.12529	3.9
197.13341	10.1
198.14001	2.4
199.14827	11.7
201.16388	9.6
203.18071	3.4
205.16112	1.7
207.11790	1.9
209.13347	7.5
211.13197	1.6
211.14810	7.3
213.16408	10.8
215.18027	9.1
217.19608	2.4
221.13338	2.3
223.14742	7.5
225.16484	7.1
227.17953	12.0
229.19626	6.6
237.16457	2.7
239.18028	7.6
241.19580	14.3
243.21199	3.9
245.18965	9.1
251.18254	4.5
253.19685	3.7
255.21027	2.9
257.19009	2.1
259.20563	11.9
263.18088	2.0
265.19534	31.1
265.22046	2.2
266.20322	4.9
267.21271	6.5
269.22812	4.8
271.20587	1.7
279.21146	3.8
281.22827	2.0
283.20609	22.3
291.21133	1.9
293.22644	3.9
295.24161	8.9
307.24454	1.7
311.23685	2.6
321.25793	3.2
322.99243	1.9
323.27386	3.1
333.25784	10.4
335.27347	2.7
347.27466	3.2
349.28842	3.9
361.29129	2.9
403.33670	61.9
421.34918	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.3
55.05510	11.2
56.26710	1.3
57.07071	4.0
67.05498	14.0
69.07064	19.1
69.55241	1.3
70.72543	3.4
71.08646	1.6
78.88677	1.3
79.05484	11.5
81.07058	30.9
83.04949	1.6
83.08640	6.9
85.06523	1.6
91.05484	10.8
93.07048	23.5
95.04965	2.6
95.08607	50.7
97.06504	1.9
97.10164	3.7
105.07030	22.4
107.08589	36.1
109.10155	22.1
110.30946	1.5
111.11745	1.5
117.07019	4.9
119.08576	25.1
121.10143	33.5
123.11727	7.5
125.09624	1.3
129.07027	4.6
130.95288	1.3
131.08580	11.0
133.10121	21.8
135.11703	9.4
137.09633	1.3
137.13237	4.0
139.11205	1.7
142.07788	2.8
143.08585	11.5
145.10110	16.5
147.11691	14.1
149.13254	18.7
151.11198	1.6
151.14853	3.3
155.08577	3.7
156.09372	3.2
157.10132	15.6
158.10814	1.4
159.11685	21.5
161.13249	12.3
163.11285	1.6
163.14798	14.8
169.10121	6.9
170.10904	2.1
171.11714	16.6
173.13284	12.4
175.14827	10.7
177.16386	32.0
181.10107	2.6
183.11702	13.5
185.13280	15.8
187.14824	19.8
189.12892	2.4
189.16351	13.5
191.18015	2.9
193.12421	1.5
193.15878	1.4
195.11745	5.7
196.12599	2.6
197.13208	10.5
198.14011	2.2
199.14822	11.5
201.16389	7.1
203.14421	1.6
203.18002	3.6
209.13292	6.2
210.13969	2.2
211.14839	8.7
213.16385	9.4
215.17978	7.7
217.15878	1.7
221.13293	3.3
222.13939	1.4
223.14810	8.6
225.16405	6.3
226.17104	2.0
227.17914	10.5
229.19467	6.6
231.17683	2.0
235.14767	2.8
237.16426	5.6
239.17931	9.1
241.16101	1.4
241.19499	13.1
243.21075	2.4
245.19087	7.1
250.17165	3.1
251.17950	5.7
253.19598	4.9
253.93042	1.3
255.21146	2.1
257.19299	2.0
259.20547	9.2
265.19495	24.1
266.20358	2.7
267.21130	6.5
269.22705	7.9
271.20578	3.2
273.21597	1.4
279.21286	4.0
280.21802	1.5
280.95972	1.6
281.22766	2.8
283.20599	20.8
283.23843	2.2
285.22165	1.7
293.22736	2.6
295.24130	7.4
297.22073	2.2
307.24030	1.4
311.23679	1.7
319.24411	1.6
321.25842	3.6
323.27386	2.8
333.25748	6.9
335.27423	2.3
344.68503	1.4
347.27487	2.3
349.29062	2.1
349.44421	1.4
360.28107	2.0
361.28793	3.5
403.33630	52.1
404.33871	2.0
412.54602	1.6
421.34781	100.0
422.35245	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1344
Annotation	Maltol 6'-O-beta-D-apiofuranosyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03949	1.3
55.01865	1.8
55.92615	1.1
56.96554	2.4
57.03426	1.2
61.02952	1.5
69.03428	5.9
70.06564	1.1
71.59938	1.6
81.03409	3.5
84.04485	3.8
85.02466	1.3
85.02901	7.4
87.04482	1.5
90.89214	1.2
97.02911	2.9
97.39517	1.2
109.02905	3.9
115.03997	2.2
124.11224	4.4
127.03925	100.0
133.04991	1.3
143.03391	1.3
153.01874	7.4
170.06323	2.0
171.06662	2.3
192.36700	1.2
237.02853	1.8
273.09033	1.6
274.09357	3.0
277.03482	4.2
289.09311	1.9
303.01324	4.5
304.01782	2.3
393.03009	1.5
421.17151	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	420.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
55.01861	1.4
55.05514	2.0
57.03429	1.3
67.05493	2.4
69.03432	8.5
69.07074	21.5
70.06576	1.0
71.04996	31.5
71.12660	1.2
71.12989	1.1
73.06589	1.3
79.05508	1.9
81.03418	8.8
81.07059	1.8
83.08595	1.4
85.02915	8.4
95.04952	0.9
95.08625	2.3
97.02902	6.6
97.06541	4.4
99.04462	2.1
105.07029	1.2
109.02905	5.8
109.10145	2.1
115.07580	3.7
123.08083	1.2
127.03925	8.5
127.11201	100.0
127.48493	0.9
128.11548	1.5
131.08484	1.0
135.11682	1.2
141.09085	5.1
145.04974	2.7
145.10234	0.9
145.11171	1.8
145.12251	27.2
158.31866	0.8
159.05406	0.7
159.10159	1.5
216.44954	0.8
241.10770	6.2
250.54338	0.9
259.11832	4.3
287.05447	2.3
288.05853	8.5
403.25681	1.0
420.10074	1.9
420.29803	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.1
55.05512	0.4
57.03419	0.3
69.03430	1.0
69.07073	8.2
69.47343	1.4
69.47772	1.1
70.06593	2.7
71.04994	2.0
81.03419	2.0
81.07051	0.4
85.02925	0.7
86.09710	100.0
86.76020	0.3
87.10013	0.6
97.02898	1.8
99.04441	0.4
109.02895	2.1
118.06667	0.3
125.12669	0.3
127.03922	2.7
127.11187	2.8
129.05518	0.3
132.10217	5.3
137.05971	0.6
147.04451	0.9
173.04477	0.5
174.11293	0.4
200.17276	0.3
220.69716	0.4
223.13417	0.5
230.13873	0.8
240.12370	1.0
244.09810	0.4
246.46222	0.4
248.14984	2.0
250.11815	0.3
258.13443	6.9
265.43066	0.3
268.06738	0.3
276.14438	4.9
287.39938	0.3
368.35736	0.4
420.20142	0.5
420.25925	2.9
420.61197	0.3
421.14856	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.119
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.5
55.05507	1.5
56.96565	7.8
57.03431	4.8
58.20271	1.5
61.02918	2.0
65.03931	1.9
69.03425	8.1
70.06590	4.4
71.04987	1.8
71.60072	2.3
73.13850	1.4
74.00658	2.1
79.01849	4.6
80.05018	1.4
81.03418	5.3
84.04483	1.8
84.08146	3.2
84.95997	1.6
85.02908	17.6
85.04835	1.9
97.02900	13.1
98.97597	13.1
99.04470	1.5
100.02206	35.0
101.00890	8.7
103.02460	5.6
108.08129	1.6
109.02900	2.7
113.00888	4.9
115.02390	2.9
116.98622	6.3
117.03978	1.9
119.01924	13.8
124.11226	5.4
125.02350	3.1
127.02248	7.0
127.03934	7.1
128.98615	3.0
129.03949	7.7
131.00163	1.6
131.01891	16.0
133.03471	2.5
134.99597	1.7
136.07562	2.4
137.05969	1.7
138.05508	3.7
143.00195	2.4
143.01767	9.9
143.03398	2.7
145.03458	12.5
145.04588	1.9
145.04872	1.6
146.02708	52.2
146.03842	2.6
147.01352	2.2
147.05040	28.2
151.25940	1.9
153.01839	47.2
153.03975	5.5
155.01886	13.1
156.02742	2.3
157.03476	6.6
158.99641	3.8
159.05040	2.9
161.01294	2.2
161.02956	5.6
162.02177	2.1
165.04166	2.0
165.06128	3.7
167.05695	1.9
169.03352	3.3
170.99777	1.4
171.01129	26.3
171.05034	33.9
173.02953	15.6
173.06651	10.5
174.03735	2.0
175.04500	3.5
183.03603	2.8
183.05070	29.3
185.02980	5.3
185.06613	15.2
187.04417	2.1
189.06093	14.7
195.05051	2.6
197.06686	3.2
199.04529	5.1
200.04617	1.8
201.00613	3.4
201.06102	19.0
203.04030	10.2
203.07657	4.0
205.00130	1.6
207.03378	1.8
207.05074	5.7
212.03815	3.5
213.06039	9.3
215.07639	3.1
217.05534	3.2
219.01784	5.3
221.03242	1.9
221.05118	16.2
223.06728	2.7
225.02422	1.6
225.06169	10.8
229.05542	1.9
231.03380	4.9
231.07140	2.5
237.02759	5.4
239.04355	3.3
243.03436	3.9
245.05080	4.1
247.06586	1.5
249.06268	1.7
255.03580	3.5
255.07216	6.4
257.05075	5.6
259.02365	3.5
259.07428	24.5
260.05829	3.1
267.04199	1.8
273.08209	100.0
274.08499	5.0
277.03470	7.2
284.05893	1.8
291.09250	42.1
292.09091	1.8
301.04092	2.4
303.01389	5.3
304.01761	2.2
305.10709	1.9
315.05661	2.1
333.06750	5.8
333.10458	1.9
345.10413	2.0
362.96188	1.7
403.10568	11.1
421.03641	2.2
421.12122	38.6
421.21976	4.5
422.10110	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	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65205	1.7
55.01878	2.1
57.03440	19.5
59.05001	5.4
60.04516	2.7
60.92432	1.9
68.65614	2.2
69.03068	4.5
69.03430	71.2
70.06567	2.7
71.01354	3.1
71.37093	4.4
72.08136	2.8
73.02904	3.6
78.05540	1.8
81.03424	4.1
85.02902	49.9
87.04472	44.1
88.76997	2.0
91.05486	100.0
97.02267	3.7
97.02897	72.0
99.04464	3.8
105.07022	6.4
107.04999	11.9
107.05614	1.6
109.02904	3.3
109.06496	2.9
111.04457	2.8
115.03929	79.7
117.07066	2.9
124.11230	6.5
127.03890	7.3
133.04965	90.3
133.06548	4.2
145.04993	9.8
145.06535	3.6
149.05997	3.0
150.07587	11.4
159.08043	3.4
161.04440	2.1
163.06026	3.0
168.34456	1.9
169.04991	2.3
177.09061	2.8
179.10715	2.3
205.08588	5.1
216.41948	1.8
217.08655	2.5
223.09671	10.8
223.13309	2.0
255.05824	1.8
258.07846	1.9
258.14874	9.5
259.08127	5.1
272.22284	1.9
277.09146	3.1
295.10223	3.3
339.13953	4.5
345.42642	2.0
435.77423	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	20.0
57.30787	4.6
63.78383	4.0
67.49100	4.7
69.03430	74.1
71.37124	9.0
85.02906	48.8
87.04469	44.8
91.05483	100.0
97.02895	82.4
105.07030	7.5
107.04961	8.9
115.03927	80.8
121.06452	4.9
121.67010	4.8
123.04449	6.0
124.11236	10.9
127.03931	12.5
131.08546	7.9
132.41891	4.4
133.04962	83.0
145.04921	7.1
150.07555	10.2
158.62558	5.5
159.08095	5.7
175.07535	7.8
183.06558	7.2
205.08633	11.0
217.08562	6.4
223.09688	19.4
241.10817	7.4
258.14963	11.2
265.85294	4.3
289.26138	4.9
297.25967	4.5
339.13779	7.9
351.14468	4.7
411.52078	5.5
421.20169	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.9
55.05511	8.6
56.96557	1.8
57.07070	2.2
67.05487	4.4
69.03419	5.8
69.07070	100.0
69.52709	7.8
69.53131	3.9
70.06582	3.7
70.07426	2.0
79.05483	4.2
79.29559	1.7
81.03434	2.7
81.07067	3.0
82.78810	1.6
83.08610	1.9
85.02897	7.3
87.52377	1.5
91.05473	4.4
93.07037	3.9
95.01345	10.4
95.04920	2.0
95.08585	4.8
97.02890	2.5
97.06584	2.0
98.21447	3.6
99.04443	2.0
105.07009	6.2
107.04970	2.6
107.08585	5.3
109.10162	2.1
110.51488	1.9
111.11726	53.9
113.02368	44.6
115.05403	2.4
115.86610	2.1
117.07031	2.0
119.08575	2.1
121.06517	2.2
121.10117	3.2
127.03880	2.5
129.12769	31.9
133.06448	1.6
134.10516	1.5
135.04428	3.2
145.06517	1.7
145.10104	5.4
147.11673	2.5
149.09625	3.4
153.01790	7.3
154.02104	2.3
163.11203	3.3
167.06979	3.7
168.07365	3.3
170.99731	1.8
181.04999	4.4
182.05365	3.3
191.06900	2.2
191.10738	3.9
193.62036	1.7
195.06516	1.6
209.07967	2.9
220.10545	1.9
223.13367	11.6
228.66534	1.9
241.14360	2.1
277.08331	1.9
287.05475	27.9
288.05862	85.1
289.06140	2.0
391.27649	1.8
402.06177	2.2
402.16510	3.4
420.10236	15.3
420.15988	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	420.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.8
53.03938	0.6
58.58211	0.6
69.03419	2.7
69.59165	4.3
69.64542	0.6
71.04997	1.1
79.01860	2.6
81.03417	7.9
84.08138	0.8
85.02904	2.1
89.57089	0.6
97.02892	5.9
99.04475	0.9
107.01336	2.4
107.04931	1.3
109.02879	5.1
117.24588	0.5
124.11244	1.6
125.02370	2.6
127.03934	7.5
143.03400	3.9
145.04938	1.3
152.39252	0.7
153.01840	100.0
154.02196	1.2
171.02922	14.1
217.08574	0.8
258.11270	0.9
258.14896	2.6
277.03391	0.7
297.06039	11.5
303.01208	1.2
315.07150	12.1
337.77893	0.8
420.15796	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	1.1
67.05475	0.9
69.03416	3.1
70.06590	1.5
71.01348	1.0
71.60986	1.1
75.61234	0.9
79.01849	1.7
81.03407	8.8
84.08118	1.2
85.02895	4.0
97.02883	5.9
100.03892	0.9
107.01304	2.1
107.04919	2.9
109.02901	5.0
124.11207	2.7
125.02350	2.8
127.03919	7.1
135.31606	1.0
138.05559	1.6
143.03380	4.1
145.04936	1.9
153.01826	100.0
154.02151	1.0
163.03857	1.0
171.02895	14.9
191.03445	1.2
258.11121	1.7
258.14862	4.0
277.03415	2.3
279.62753	1.0
297.06046	9.8
303.01227	2.9
315.07037	13.4
371.14322	1.0
394.98950	1.1
420.16187	1.3
423.11557	1.0
429.31726	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13268	0.1
50.88421	0.0
52.80828	0.0
55.01854	0.1
57.03436	0.3
58.49863	0.0
61.02899	0.1
66.86612	0.1
67.01863	0.7
67.05492	0.1
68.02177	0.2
68.99781	0.6
69.03404	0.1
70.00100	0.1
70.27573	0.0
70.28600	0.2
72.67741	0.0
73.02908	0.4
74.03241	0.1
76.24614	0.0
79.05479	0.1
80.26309	0.0
80.94524	0.0
85.02862	0.1
89.03905	0.2
90.04225	0.1
91.05476	0.1
96.34801	0.0
96.40987	0.1
107.04926	0.1
109.02819	0.1
109.10089	0.1
111.00787	0.1
111.04420	0.1
117.03368	0.2
118.03672	0.1
127.03874	0.1
129.01816	0.2
130.02144	0.1
130.07323	0.1
134.99658	0.0
135.04417	1.8
136.03769	0.1
136.04745	1.1
137.02322	0.5
138.02673	0.3
153.01825	5.7
154.02156	3.0
154.03423	0.1
155.02336	0.1
155.74921	0.0
158.06921	0.1
161.02295	0.4
162.02661	0.4
167.06987	0.1
168.07419	0.1
169.07481	0.1
171.02884	0.4
172.03178	0.2
179.03386	0.2
180.03690	0.2
185.05939	0.1
186.06410	0.1
199.03987	0.1
200.04320	0.1
203.03369	0.1
204.03644	0.1
213.05432	0.1
214.05951	0.1
218.05354	0.1
219.06467	0.1
220.06732	0.1
228.03642	0.1
232.06738	0.1
241.04919	0.2
242.05289	0.5
246.04926	0.1
258.05524	0.1
260.06427	0.1
264.05780	0.1
269.04382	0.2
270.04861	0.6
271.05075	0.1
286.04663	0.1
287.05493	34.8
288.05820	100.0
289.06024	2.1
298.15369	0.1
329.36569	0.1
420.10052	20.4
421.10385	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.331
Annotation	8'-apo-beta-Carotenol
Peak:m/z	Relative Intensity
54.98043	0.9
55.05509	3.5
57.07072	3.5
67.05518	4.7
69.07057	6.9
70.19814	3.8
70.20175	1.8
71.56626	1.0
79.05485	4.0
81.07059	12.6
83.08631	2.2
91.05500	5.4
93.07050	8.1
95.04950	1.3
95.08611	16.1
97.10165	1.9
104.44814	1.0
105.07032	17.4
107.08593	13.6
109.06481	1.4
109.10172	7.8
117.07005	2.5
119.08586	15.8
121.10154	9.3
121.59217	1.0
122.47400	1.0
123.11710	2.3
129.07019	1.9
131.08589	10.1
133.10121	10.8
135.11684	6.2
137.13237	3.5
142.07761	1.7
143.08556	6.0
145.10133	12.9
147.11671	9.1
149.13232	6.0
154.01936	1.3
155.08574	1.6
157.10165	7.7
159.11679	10.5
161.13300	4.7
163.14798	5.5
169.10133	4.4
171.11667	6.5
173.13242	6.2
175.14807	6.2
177.16370	7.5
181.10066	1.2
183.11641	5.5
185.13260	4.3
187.14824	6.9
189.16400	17.3
195.11676	2.4
195.97769	1.2
197.13283	3.5
199.14828	5.0
201.16354	8.8
203.17984	5.1
205.15956	1.4
211.14821	2.1
213.16432	4.6
215.17979	6.7
217.19608	1.4
223.14880	2.5
225.16397	1.5
227.17957	5.6
229.19562	2.0
237.16452	1.4
239.17934	1.2
241.19568	3.2
243.17429	2.9
246.32875	1.2
251.17842	1.0
253.19475	2.6
255.21149	2.0
263.18237	1.2
265.19550	1.2
267.21143	2.5
287.05533	25.1
288.05954	1.4
305.22803	1.2
347.27194	3.1
390.32507	1.2
391.29431	1.7
391.33743	14.7
401.32150	4.2
419.09811	3.1
419.33127	100.0
420.33325	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	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28745	1.9
55.01868	2.4
57.02590	2.0
61.02935	2.2
65.59548	1.8
67.05502	5.9
69.03426	9.1
69.70650	4.2
69.71066	9.5
75.36304	1.8
79.05485	10.3
81.03403	2.4
81.07084	4.1
83.04981	3.9
85.02892	9.4
89.48335	2.1
91.05466	9.6
93.07021	2.5
95.04958	4.9
95.08597	2.2
97.02899	4.6
101.00613	5.8
103.05428	2.6
105.07057	5.4
106.04138	2.0
107.04964	21.0
107.08664	2.5
109.06502	2.7
115.05447	4.4
117.06999	5.0
119.08594	2.5
121.10055	2.1
123.04436	16.4
123.08081	2.8
124.05218	2.8
125.06007	3.8
128.06219	6.4
129.06990	11.8
131.08574	13.0
133.06462	2.5
137.06001	3.2
138.42273	1.9
139.11220	4.0
140.04684	4.4
141.06976	7.5
143.08542	3.1
144.05721	9.9
145.06499	3.7
146.07259	2.8
147.04373	3.2
153.01848	4.1
153.05406	4.1
155.05156	2.8
156.05711	4.5
157.03230	9.8
157.06595	7.9
159.08051	26.1
160.05238	3.6
161.06003	4.7
161.09613	5.6
163.03912	2.4
163.77744	2.3
167.07039	61.6
168.04175	2.7
168.07330	2.4
169.07643	5.0
170.07300	7.2
171.06520	2.1
171.08025	4.7
173.05989	7.2
174.06598	3.1
175.07581	2.5
177.05409	3.4
181.05009	5.3
181.06613	3.7
183.04955	2.5
183.06517	26.1
187.07527	16.4
189.09143	4.6
191.07022	3.4
191.08626	2.4
193.08569	3.6
197.09929	6.5
199.07515	4.8
203.07005	4.9
203.10786	2.2
204.07782	5.8
205.06548	4.6
205.08542	2.7
206.05655	3.0
206.07372	3.6
207.10080	2.2
209.07982	3.5
216.07687	2.7
217.06580	3.0
217.08606	6.0
218.07370	3.3
219.08127	5.5
219.10193	16.0
221.08060	9.0
231.08051	5.1
231.10162	11.4
233.06006	2.5
234.06665	2.7
235.07643	3.4
237.09131	2.9
239.11044	10.8
246.06815	2.3
247.07594	6.5
248.08224	4.9
249.11235	100.0
250.11591	2.6
251.07133	2.7
257.12051	26.7
262.06189	2.6
263.07007	6.0
263.10632	3.9
264.07809	5.3
265.08630	3.1
276.07800	4.4
277.08557	6.3
279.10162	5.3
287.05591	7.6
291.10129	2.7
293.08148	5.4
295.09683	4.4
295.36877	2.0
299.09076	2.1
305.08145	2.7
307.09622	9.9
308.10318	2.2
309.11298	4.5
311.12680	3.8
315.08734	3.4
323.09171	2.8
323.12854	3.6
330.10965	4.4
337.10754	5.4
341.13937	2.4
351.12305	2.6
355.11542	3.0
359.19107	3.1
369.13358	31.8
389.15869	11.5
395.69110	2.2
401.15936	39.5
419.17169	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	419.0972
Annotation	Juglanin
Peak:m/z	Relative Intensity
55.96062	0.1
57.03423	0.2
67.01840	0.4
68.99786	0.5
70.75849	0.4
73.02894	0.3
85.71799	0.1
89.03928	0.2
98.21417	0.2
112.27079	0.1
117.03368	0.3
135.04419	1.9
137.02315	0.5
153.01831	5.9
161.02354	0.7
171.02812	0.4
179.03351	0.2
185.05905	0.2
203.03632	0.2
213.05411	0.2
231.77287	0.1
237.07877	0.1
241.04932	0.6
258.35495	0.2
259.06061	0.2
269.04312	0.7
287.05502	100.0
288.05847	1.0
419.09738	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	419.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26265	2.0
55.01859	4.4
67.05492	2.8
69.07072	2.0
71.61107	3.7
79.05494	3.2
81.03415	3.2
85.02882	4.6
91.05479	3.5
95.04946	2.8
99.04547	2.0
103.05438	2.1
105.07023	4.0
107.04962	9.0
113.88850	1.9
115.05450	2.1
123.04408	4.9
127.03918	3.5
131.08543	2.8
133.06523	2.5
141.06996	2.3
144.05722	3.0
145.06430	3.4
147.04469	3.4
153.01822	2.5
159.08063	2.6
161.06007	3.8
167.07063	29.0
170.07275	3.5
173.06003	5.8
177.05452	7.1
181.04987	12.1
181.08603	2.8
183.06613	6.2
187.07445	3.5
191.07047	8.7
193.08549	3.9
203.07030	2.4
205.08577	5.6
208.05161	3.4
209.08112	8.8
217.08548	4.4
219.10193	5.3
227.34158	2.2
231.10291	2.5
241.95071	2.0
247.09663	3.9
249.11214	4.3
252.81129	2.4
269.07993	4.4
287.05527	24.2
287.08524	4.1
315.08575	17.2
330.11038	22.5
334.61972	2.1
351.12418	2.9
369.13400	3.6
383.14999	4.4
401.16031	8.8
419.13736	4.8
419.18817	100.0
430.26880	2.2
434.76196	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01836	0.5
68.99786	0.4
70.91460	0.5
73.02888	0.3
79.05456	0.3
89.03909	0.3
91.05472	0.4
95.15755	0.2
105.07057	0.2
134.67230	0.2
135.04437	1.6
137.02304	0.7
140.20081	0.2
153.01819	5.9
153.40953	0.2
159.08099	0.2
161.02284	0.4
167.07018	0.8
168.07347	0.3
169.07646	0.2
171.02855	0.2
179.03447	0.2
181.04988	0.3
203.03552	0.2
208.67754	0.2
241.05000	0.6
249.11234	0.3
258.05341	0.2
263.05560	0.2
269.04367	0.4
287.05493	100.0
288.05807	1.3
331.94922	0.2
401.28699	0.2
419.09735	15.3
420.10272	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03404	0.8
51.88428	0.9
60.62143	0.8
61.02923	1.3
69.03426	1.6
70.19615	3.7
81.03419	1.1
82.59010	0.8
85.02918	7.8
89.06033	71.4
89.60383	0.9
95.38098	0.9
97.02866	2.2
98.21368	1.0
99.04391	1.0
99.77834	0.8
107.07053	1.7
133.08607	39.4
151.09624	3.6
177.11278	5.4
195.12273	2.7
217.55446	1.0
239.14908	100.0
240.15282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	5.7
55.05495	3.1
57.03435	2.5
65.03917	2.5
67.05508	11.2
67.88214	2.0
68.02692	1.9
69.03407	4.3
69.07072	10.2
69.34709	18.4
71.08636	2.5
79.05476	8.1
81.03411	3.8
81.07076	11.2
81.07450	1.9
83.04976	10.0
83.08623	5.6
85.02897	8.6
85.06555	5.0
91.05478	9.4
93.07062	5.6
95.04957	4.7
95.08602	23.6
97.06483	2.9
103.05465	2.5
105.07022	6.9
107.04951	6.5
107.08597	15.0
109.06509	7.2
109.10157	75.7
109.10912	3.9
115.05438	5.5
117.07030	4.6
119.08578	31.8
120.08093	3.0
121.10144	8.7
123.04408	6.9
123.08064	7.7
123.11680	6.8
127.03925	11.3
128.00681	2.1
128.06274	2.4
129.06970	5.2
130.02911	2.1
131.04930	3.3
131.08574	5.8
133.06465	3.7
133.10124	13.7
135.11699	72.5
136.11961	2.3
137.05959	2.4
137.09613	8.0
138.03033	2.1
138.33832	2.2
141.06981	2.3
144.05632	2.5
145.06516	4.3
148.07574	3.1
149.13232	5.9
151.11203	5.3
151.14806	8.5
152.04712	2.1
155.06042	2.0
159.08069	8.8
161.06017	4.4
167.07043	60.2
168.07373	31.6
170.07227	3.1
173.05994	5.7
174.06474	3.4
175.14827	36.7
177.05447	2.7
181.04964	27.2
181.08563	2.6
182.05347	5.7
183.06549	9.0
187.05553	2.0
187.07591	8.0
189.09123	2.6
191.07051	7.6
193.15886	67.4
204.07732	2.5
209.08113	7.4
211.16937	100.0
218.07254	2.7
218.09113	2.8
219.10213	6.1
221.08070	4.5
233.08012	4.6
234.08609	2.0
235.07465	2.3
249.08969	3.7
249.11223	30.6
258.24362	2.0
270.72452	1.9
287.05508	26.4
291.10025	2.9
307.09763	2.3
369.13208	11.2
388.14722	7.3
389.15878	3.3
401.16034	24.7
418.15704	19.4
418.20767	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	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01859	1.5
56.05026	2.0
57.03432	4.0
61.02937	3.6
63.51621	0.6
67.05495	0.8
69.03432	13.3
69.93468	3.7
70.06596	1.4
71.04981	1.3
73.02912	2.4
81.03421	6.1
82.06543	1.1
83.04997	0.9
85.02406	1.3
85.02910	18.3
85.03421	1.2
87.04485	2.5
91.03980	0.8
94.31429	0.8
95.04955	1.3
96.08131	4.1
97.02897	8.6
97.08931	2.0
98.09700	8.4
98.21492	1.0
99.04430	1.9
108.08167	0.8
109.02869	2.4
113.06005	1.8
120.08125	7.1
120.63789	0.7
122.09666	2.1
124.07605	2.5
124.11214	2.4
126.00871	0.6
127.03917	3.4
134.09628	1.6
135.10474	1.8
136.07588	1.6
136.11230	2.8
138.05490	4.0
141.05440	2.1
145.04996	1.6
146.09711	1.7
147.08032	0.7
148.11240	9.3
149.11983	0.9
150.09131	2.1
150.12778	2.3
152.10751	4.7
153.01950	0.9
159.06641	1.0
160.11246	2.2
161.48810	0.7
164.10739	4.8
165.11502	6.4
166.12323	3.6
172.11299	0.8
174.09198	1.3
174.12788	3.7
175.07545	2.0
176.10738	0.7
177.09152	4.1
177.11533	1.1
178.12279	5.0
188.10695	0.8
190.12216	3.4
192.10063	1.5
192.13887	2.2
196.13354	1.9
202.12276	6.8
203.10733	1.8
208.13426	1.0
220.13348	27.2
237.13680	2.1
238.14404	28.7
239.14685	0.9
256.15457	8.6
257.02765	1.7
321.10431	1.7
357.55692	0.7
380.90756	0.9
382.18631	2.8
400.19681	53.3
418.20789	100.0
419.08212	2.3
419.21082	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07127	0.9
53.03948	1.8
55.01869	2.2
56.05041	2.0
57.03425	4.8
58.48347	1.0
61.02933	5.9
66.91909	1.1
69.03433	18.9
70.73791	3.2
71.04988	2.9
73.02917	4.7
81.03433	5.9
85.02906	23.7
86.06013	1.1
87.04484	6.0
91.03966	2.3
96.08119	2.1
97.02888	10.4
97.08875	2.2
98.09697	4.9
98.97581	4.3
99.04478	2.6
105.07056	1.0
107.08591	1.2
109.02885	4.2
110.25397	1.1
112.99107	1.1
113.06027	1.5
115.03987	2.0
120.08099	12.3
121.06557	2.0
122.09663	1.4
123.04444	1.4
124.07603	1.8
124.11256	1.5
127.03893	5.8
127.68717	1.0
134.09627	2.4
136.07574	3.9
136.11238	3.5
138.05492	7.2
145.04955	2.3
146.09718	1.8
146.67758	1.2
148.11215	19.0
149.09654	1.9
149.12021	1.2
150.09155	1.1
150.12825	2.2
152.10712	5.9
153.01880	1.2
159.08028	1.3
160.11237	4.1
162.09087	1.1
164.10701	8.5
165.11505	12.2
166.12331	5.0
174.09164	2.3
174.12831	2.9
175.07526	3.5
177.09109	5.8
177.11475	2.1
178.12260	9.7
182.08130	1.3
184.11267	1.4
190.12289	2.0
192.13872	5.8
196.13364	2.3
202.12297	7.4
203.10693	3.9
210.11168	1.6
219.12616	1.2
220.13336	36.4
236.12822	1.7
237.13559	3.2
238.14374	50.1
253.53075	1.1
256.15485	11.9
257.02792	1.7
277.03531	2.9
303.01434	2.3
321.10416	1.4
348.97189	1.2
382.18585	1.7
400.19669	77.1
401.19980	1.8
418.20779	100.0
419.21127	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.0
55.01872	2.8
55.05504	2.8
56.96563	1.9
65.03929	1.4
67.05495	2.6
69.03437	5.0
70.32997	1.0
71.04984	2.9
71.61961	1.4
79.05486	5.3
81.03427	1.9
81.07056	6.8
83.04979	1.1
83.08642	1.1
85.02900	4.1
85.06547	1.9
91.05501	8.4
92.05814	1.0
93.07040	6.7
95.01313	1.1
95.04956	2.2
95.08645	2.5
97.02863	2.9
97.06496	1.0
98.97574	1.3
99.04445	3.0
103.05464	2.8
104.05812	1.1
105.07029	33.1
107.04971	3.3
107.08578	3.9
108.05280	1.8
109.06524	1.8
110.03671	1.2
111.08096	1.1
113.02354	2.8
113.06015	2.7
115.05396	1.2
117.07033	2.6
119.04926	1.7
119.08575	4.0
121.06494	3.3
123.04433	3.0
123.08098	1.4
127.03918	1.3
127.11182	3.7
128.06224	1.2
131.04935	2.7
131.08559	3.4
133.06491	7.8
133.10130	33.7
134.10443	1.2
135.04454	1.4
135.11723	1.2
137.05981	2.6
137.09628	2.2
143.08586	3.5
145.04890	1.4
145.06477	3.0
145.10104	1.5
145.12180	1.2
146.07066	1.8
147.04340	1.2
147.08076	1.3
147.11725	1.2
151.03876	1.8
151.07497	1.7
153.01860	5.7
155.06036	1.0
159.08081	1.6
161.09628	41.9
162.09911	1.2
162.56985	0.9
163.11200	3.6
164.07770	1.0
165.09090	1.2
165.12790	1.3
167.07031	28.7
167.08403	2.0
168.07393	17.3
171.07927	1.2
173.05983	2.8
174.06381	3.4
177.05486	2.2
179.10703	5.3
181.04999	12.1
182.05287	7.5
189.09077	13.8
191.07071	4.1
192.07382	1.7
193.12239	17.0
193.15842	1.1
195.06467	1.5
202.05989	1.2
203.10657	1.0
207.10162	3.3
209.08069	1.7
219.10092	1.3
221.11775	16.6
225.11249	6.5
233.08093	1.2
234.08397	2.0
236.09984	1.7
239.12750	2.9
256.06839	1.2
287.05508	100.0
369.13187	1.2
388.14819	4.7
401.15851	1.5
418.15762	12.1
419.09741	17.3
419.15735	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20535	0.6
50.54770	0.5
52.07398	0.5
55.05504	0.7
65.03938	0.5
66.15263	0.5
67.73450	0.5
69.03409	0.6
71.38641	0.5
71.61640	1.0
78.04700	0.6
79.05493	0.6
81.07047	0.6
85.02911	0.6
100.75365	0.6
107.05011	0.9
117.07036	0.9
121.02866	0.9
123.04439	1.7
127.03947	2.0
145.06509	1.5
149.02356	1.6
155.06071	0.7
167.07045	23.1
173.05957	3.1
181.04945	6.0
216.49585	0.6
233.08133	2.6
235.09666	1.2
285.12006	0.8
313.01392	0.6
387.14450	2.4
417.17328	100.0
418.17752	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	418.1247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55970	1.3
53.13506	1.1
59.34141	1.1
60.61727	1.1
65.11507	1.1
67.99757	1.1
69.03425	1.3
69.07040	1.3
71.30965	2.8
73.91754	1.1
75.46210	1.2
85.02906	2.5
93.07051	1.5
95.05002	1.9
97.02903	1.4
100.07589	1.3
115.05473	1.2
123.04409	1.9
123.08071	2.4
127.03906	3.0
140.04959	3.0
154.06558	2.9
154.08589	1.4
155.06032	20.8
167.05780	5.7
167.07292	6.5
168.07076	2.6
169.07602	35.9
170.05989	2.8
179.06030	10.2
181.04991	6.6
181.07622	3.3
182.06090	1.3
182.08458	2.5
183.05522	17.0
183.09134	2.1
185.07117	13.4
192.06827	1.5
193.07596	13.8
194.06044	3.5
194.92226	1.3
195.05519	29.8
196.06323	16.2
196.13292	1.6
197.07124	25.9
198.05507	5.1
199.05199	1.4
201.06578	2.0
207.05513	7.5
208.06258	2.6
209.07150	4.7
211.05022	2.9
211.08604	5.2
213.06570	21.8
214.06982	1.3
221.07100	22.9
223.04935	1.6
225.06580	48.2
228.12082	1.3
229.06081	21.7
237.06573	5.4
238.07327	3.6
239.04469	4.7
239.08154	24.2
241.06082	3.7
243.07578	6.3
249.06641	11.3
253.06091	11.6
255.07561	2.3
256.11542	3.2
257.05637	4.6
257.09076	1.9
265.06085	2.8
267.07639	18.0
269.05609	4.4
271.07144	27.9
277.06061	11.1
285.08707	32.4
286.09088	1.6
295.07150	34.5
312.09711	2.9
313.08197	45.6
314.08597	1.4
331.09244	13.8
340.09137	5.9
354.10654	5.6
358.10345	45.1
372.11801	4.0
382.10367	6.6
400.11392	58.9
401.11700	1.4
418.12402	100.0
419.12509	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	417.1542
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03936	0.6
55.01860	0.6
56.26863	0.2
65.03934	1.8
66.52602	0.2
67.05494	0.8
69.03409	0.5
69.46598	2.2
78.04714	2.8
79.05492	1.4
81.03414	0.3
82.04176	0.4
83.04946	0.3
85.02895	0.9
91.05465	1.1
93.03329	0.3
93.07034	0.3
95.04942	0.9
95.08574	0.3
96.05728	0.3
97.02847	0.4
97.06546	0.4
102.71922	0.3
103.05463	1.3
105.04539	0.3
106.04180	2.0
107.04988	1.7
109.02830	0.3
110.03642	0.9
111.04411	0.4
115.05454	3.9
117.07018	5.5
122.03636	0.6
123.03542	0.6
123.04431	8.3
124.05221	2.5
125.05996	0.6
127.05444	1.1
131.04909	0.5
134.03613	0.8
137.06047	0.3
138.03178	0.5
142.02626	0.5
143.04921	0.3
145.06493	8.6
147.04425	0.3
151.03883	1.3
152.04703	2.0
153.05450	0.7
155.04863	0.3
155.06021	3.9
167.07040	100.0
168.07365	1.1
171.06531	0.5
173.05986	13.6
174.06464	0.2
175.07530	0.4
179.06911	0.3
181.04959	18.5
201.05400	0.5
205.08626	2.7
233.08090	7.2
233.10371	0.5
235.09637	3.6
277.64444	0.3
280.19464	0.3
323.09042	0.3
355.11832	0.2
387.14395	13.7
388.15018	0.3
399.14270	0.3
417.15472	26.5
418.15744	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1544
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03938	1.0
55.01865	0.6
58.50642	0.4
58.86280	0.4
65.03951	2.1
65.04219	0.4
66.79887	0.4
67.05501	0.6
68.76651	0.4
69.03401	0.7
69.56725	1.8
69.57138	0.9
70.06575	0.4
78.04705	3.1
79.05486	2.0
81.03395	0.8
81.07072	0.6
82.04200	0.8
83.04955	0.4
85.02895	1.5
91.05476	1.1
95.04978	3.4
103.05464	1.2
106.04173	2.1
107.04974	3.0
109.02966	0.5
110.03642	0.7
111.04452	0.7
115.05460	3.2
117.07022	5.9
121.02943	0.4
122.03648	0.5
123.04432	10.2
124.05222	2.2
125.05983	0.7
127.03922	5.7
127.05408	1.0
134.03622	0.4
137.05960	0.6
142.02594	0.5
145.06485	8.4
151.03894	1.5
152.04680	2.3
153.05457	0.8
155.06036	3.0
155.07100	1.5
158.26732	0.5
167.07043	100.0
168.07382	1.2
171.06503	0.9
173.05988	15.5
175.07503	0.5
181.04958	20.3
183.06514	2.9
195.06526	1.0
201.05489	0.5
205.06767	0.6
205.08580	3.7
217.08559	0.7
218.63820	0.4
221.08075	0.5
233.08087	7.6
235.09641	3.4
245.08080	0.5
307.09729	0.5
335.09155	0.6
367.11697	0.9
369.13562	0.7
387.09308	0.8
387.14383	14.2
399.14523	1.5
409.75436	0.4
417.15485	24.0
418.15570	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1545
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
53.03941	0.6
55.01855	0.7
57.56306	0.4
65.03930	1.7
67.05494	0.9
69.03419	1.0
70.02783	2.2
71.04989	0.6
77.11317	0.4
78.04709	2.6
79.05502	2.4
81.03416	0.5
81.07034	0.6
82.04182	0.6
85.02901	1.4
91.05488	2.1
93.03413	0.7
95.04966	1.2
97.02853	0.7
97.06522	0.8
98.21381	0.7
103.05455	2.3
106.04170	2.3
107.04965	3.3
110.03640	0.7
115.05454	4.1
117.07029	5.8
119.08624	0.5
121.02947	0.5
123.04436	7.5
124.05218	3.3
131.04915	1.1
133.06451	0.7
134.03696	0.6
137.06026	0.7
138.03091	0.7
142.02638	0.9
144.05682	0.5
145.06496	8.8
151.03920	1.4
152.04703	2.4
153.05484	0.5
155.06030	4.5
161.05998	0.9
163.07552	0.7
167.07042	100.0
168.07352	0.7
171.06529	1.0
173.05980	15.8
175.07417	0.7
181.04962	26.3
183.06381	0.6
191.06992	2.8
195.06461	0.5
201.05391	1.0
203.06879	0.5
205.08646	3.7
208.86388	0.5
217.08549	0.6
233.08087	9.0
235.09676	4.2
263.43246	0.4
303.01431	0.5
387.14365	15.0
399.14346	1.2
417.15433	30.9
418.15997	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91100	0.1
53.03930	0.1
55.01879	0.1
55.05503	0.1
56.96559	0.1
57.40625	0.1
65.03918	0.2
67.01863	0.8
68.99440	0.1
68.99780	0.6
69.03420	0.3
69.07042	0.1
69.29685	0.1
69.39512	0.1
70.36999	0.3
78.58134	0.1
79.05476	0.2
81.03397	0.1
81.07060	0.2
83.25163	0.1
85.02919	0.2
91.05467	0.3
95.04908	0.2
97.02869	0.1
103.05460	1.0
105.03378	0.4
105.07039	0.3
107.04932	0.3
107.08596	0.2
109.02831	0.2
111.00805	0.1
115.05468	0.2
117.07047	0.2
119.08517	0.1
121.06487	0.1
123.04439	0.3
124.05209	0.1
125.93729	0.1
127.03902	0.1
127.12674	0.1
129.01813	0.1
129.03358	0.6
129.06958	0.1
130.06506	0.4
131.04915	0.1
131.08571	0.2
142.07790	0.1
143.08618	0.1
145.06459	0.3
145.10100	0.1
147.04417	0.6
147.11649	0.1
152.06146	0.1
153.01826	3.9
153.06946	0.1
156.05659	0.2
157.10149	0.2
159.08086	0.1
159.11708	0.1
163.07503	0.1
167.07042	3.9
171.02876	0.3
171.04277	0.1
173.06010	0.6
173.13161	0.1
174.80977	0.1
175.07559	0.1
181.04959	1.6
181.06480	0.2
187.07518	0.3
188.07048	0.1
191.07027	0.4
199.11169	0.1
199.14699	0.1
203.50594	0.1
205.08710	0.2
209.05891	0.4
217.08633	0.8
227.14314	0.1
231.06516	0.4
233.08049	0.2
235.09747	0.1
237.05482	0.1
247.09612	0.1
255.06509	100.0
256.06870	1.7
353.13980	0.1
387.14359	0.5
417.15668	1.1
417.20038	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	417.1182
Annotation	Daidzin
Peak:m/z	Relative Intensity
54.16053	0.1
65.03945	0.1
67.01862	0.8
68.99801	0.4
69.43664	0.4
69.44096	0.6
79.05494	0.1
85.02911	0.2
91.05467	0.2
93.03355	0.1
93.07005	0.1
95.04955	0.1
97.02848	0.1
98.97527	0.1
103.05450	0.8
105.03381	0.4
107.04935	0.2
117.07004	0.2
121.02876	0.1
123.04474	0.2
124.05204	0.1
127.03936	0.1
129.03349	0.5
130.06493	0.2
145.06480	0.3
147.04405	0.7
153.01826	3.9
156.05696	0.2
167.07054	2.5
169.10100	0.1
171.02995	0.2
171.11742	0.2
173.06007	0.4
181.04955	1.1
181.06433	0.2
186.06665	0.2
187.07553	0.3
191.07077	0.2
209.05972	0.4
213.05492	0.2
217.08562	0.5
231.06499	0.2
235.09738	0.1
254.62987	0.1
255.06512	100.0
256.06866	1.2
265.16891	0.1
387.14304	0.3
417.15829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.5
55.05513	8.7
56.96577	1.2
57.07072	2.0
65.03944	2.7
66.04752	1.0
67.05167	1.3
67.05508	24.7
69.03441	1.4
69.07065	12.3
69.41409	5.1
69.41822	3.0
71.04976	2.0
74.80893	1.1
76.02231	1.2
78.04717	1.3
79.05054	1.4
79.05497	28.0
81.07059	29.3
83.04983	1.4
83.08628	5.5
85.02904	2.3
85.06557	2.6
91.05488	19.6
93.06455	2.4
93.07047	43.0
95.04963	2.4
95.08024	2.0
95.08606	18.3
96.94614	1.0
97.06576	2.1
97.10167	2.1
102.51566	1.0
103.05442	1.4
105.07034	14.1
107.04942	4.0
107.07857	1.4
107.08592	27.9
109.06512	2.6
109.10139	8.3
111.02685	1.4
111.08110	1.0
113.04246	1.6
115.05440	1.6
117.07042	5.4
119.08581	11.9
121.06525	1.1
121.10140	14.8
122.02724	7.5
123.04447	2.9
123.08110	1.8
123.11678	2.6
124.05210	1.1
125.05955	1.3
125.09587	1.4
129.06987	4.5
131.08601	6.8
133.10143	9.0
135.07990	1.6
135.11687	24.1
137.04279	1.3
137.06046	1.2
139.11208	1.3
143.08548	2.5
145.06483	3.2
145.10092	6.1
147.08090	1.7
147.11697	10.2
149.05952	1.1
149.13246	13.7
153.09105	1.2
157.10172	1.8
159.11705	4.4
161.09639	1.6
161.13275	5.8
163.11134	1.8
163.14799	4.1
167.07039	34.9
169.10095	1.2
171.11717	3.5
173.05986	4.1
173.13284	3.8
175.11157	1.5
175.14893	2.0
181.04976	16.4
181.12277	1.3
185.13271	2.0
189.12798	1.8
191.07048	2.2
191.14310	1.1
195.13895	1.5
197.70018	1.0
199.14772	1.9
205.08569	1.4
207.13864	2.1
209.15375	1.4
213.16451	1.7
221.15387	3.3
223.11748	1.4
224.16539	1.2
226.71788	1.0
233.07980	2.6
235.09508	1.3
235.16907	1.5
241.19522	4.0
259.20560	10.9
272.29202	1.2
275.20154	3.7
277.21628	100.0
278.22116	1.1
291.17691	2.5
295.22656	4.6
309.18845	9.3
357.12717	1.1
380.22522	2.4
381.20837	3.4
382.02582	1.1
385.12799	1.1
387.14413	5.4
398.23663	11.0
399.22391	2.8
416.24741	4.9
417.15442	10.2
420.74249	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1003
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88154	8.3
59.08436	8.9
59.64333	7.9
69.89768	33.8
70.90919	9.2
76.82371	8.4
97.02859	12.1
98.20838	10.2
101.00850	10.5
106.41212	8.0
116.72311	10.1
117.69482	9.7
119.01849	9.1
157.03452	9.6
177.80397	8.3
213.42241	9.7
346.11252	10.3
355.05328	9.3
369.39819	10.2
415.10217	100.0
415.17862	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	415.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53618	0.5
53.03954	0.5
55.01871	0.6
57.71868	0.5
59.47931	0.6
64.18014	0.6
70.03136	2.4
70.06569	0.5
75.08529	0.5
76.58311	0.5
81.03402	0.8
81.07020	0.7
85.02885	0.9
95.08595	0.7
107.08594	0.9
109.10188	0.6
119.08595	0.5
127.03896	1.2
135.11722	0.6
153.01851	0.8
154.08672	0.9
170.01573	0.6
204.74176	0.6
302.96399	0.5
321.63684	0.6
326.14270	0.7
331.44806	0.6
367.36804	0.6
415.19345	100.0
416.19641	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	415.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
65.58013	0.5
67.05477	0.6
69.03430	1.6
70.06581	0.9
71.33838	0.9
71.34172	0.7
73.06551	1.5
81.04536	1.8
85.02905	0.8
87.04474	5.5
89.06033	100.0
94.58466	0.6
98.09689	5.8
99.10020	1.6
107.07091	1.4
123.04439	0.9
124.04771	1.2
124.11241	9.3
125.11586	4.2
127.03960	1.8
127.05030	1.2
130.08775	0.7
131.07065	1.2
133.08604	47.5
153.01874	2.4
165.05487	4.9
166.05783	2.9
169.18839	0.6
177.11229	10.3
204.79326	0.6
221.13890	0.9
239.14830	0.7
251.27823	0.8
253.08263	0.9
317.10229	0.8
318.10568	1.6
371.22873	0.9
379.12668	0.6
415.14014	2.4
415.19571	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	414.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	18.4
57.06817	0.8
57.07081	11.7
58.06590	2.5
58.59509	0.6
64.98611	0.5
67.05509	3.1
69.07070	29.3
70.02943	0.8
70.94070	1.1
71.08634	7.7
79.05499	0.8
81.07067	4.9
83.04984	0.7
83.08624	22.2
85.10177	4.6
89.45516	0.6
91.05491	1.2
93.07038	1.5
95.08617	5.3
97.09535	0.7
97.10175	19.5
102.05545	13.6
104.07112	100.0
107.08581	2.2
109.10163	2.0
111.11716	7.8
113.13303	0.7
119.08567	2.6
121.10142	1.8
123.11736	1.4
125.13271	3.8
130.05000	1.2
135.11705	1.3
137.13295	0.8
139.14796	1.2
146.49542	0.5
149.13277	0.6
162.59721	0.7
163.14865	2.1
177.16518	0.7
195.51703	0.6
209.19048	0.6
212.20189	0.9
275.27295	3.1
293.28372	8.6
302.76773	0.6
336.32626	0.9
345.29364	0.7
396.34692	13.6
414.37866	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09018	0.7
51.56265	0.9
53.03932	1.0
53.29743	0.8
55.01864	1.6
56.05005	0.9
56.96567	5.4
57.03428	2.4
58.99858	1.8
61.02920	2.5
67.05493	1.0
68.98279	1.2
69.03115	1.0
69.03434	13.0
69.07074	1.3
70.06564	2.1
70.99839	1.0
71.04955	1.2
71.61044	1.4
72.08137	2.7
73.02905	2.5
73.98623	0.7
75.86121	0.7
77.00883	2.1
79.01852	0.8
81.03410	5.8
82.02940	1.2
82.99860	1.7
84.08135	2.0
84.96040	1.3
85.02411	1.4
85.02902	20.3
86.06063	6.0
86.09717	5.0
86.99319	2.2
87.04468	1.3
89.36673	0.8
91.03938	1.2
97.02893	19.5
98.97572	7.4
99.04434	1.5
101.00883	18.4
105.00365	1.5
109.02893	7.0
109.04003	1.4
110.07142	1.2
110.97591	1.4
113.00861	5.4
115.02409	3.0
116.98607	3.3
119.01922	35.6
120.02048	1.2
124.05066	1.6
124.11224	1.7
125.03497	1.3
127.02444	5.1
127.03941	5.5
128.98579	1.5
131.01912	14.7
132.10190	1.0
133.03439	3.4
134.99658	1.1
137.00816	1.1
137.02982	5.7
138.05527	1.0
139.02394	3.2
140.06943	0.8
143.01906	10.5
143.03105	1.1
145.03465	22.9
145.04916	2.8
147.01410	1.4
149.02968	2.0
150.05511	5.8
153.01816	22.6
155.01891	17.0
156.02695	1.8
157.03477	12.8
157.09744	1.5
158.99681	1.1
159.01515	1.1
159.05003	1.1
161.01115	0.9
161.01582	1.3
161.02965	18.4
163.04494	3.4
166.08588	1.2
167.01892	5.2
168.02589	1.4
169.03467	2.4
170.99577	1.0
171.01390	1.0
172.95201	2.6
173.01485	1.1
173.02962	19.2
174.98964	1.0
175.04504	3.1
177.00635	1.1
179.01935	1.9
179.03918	0.9
181.03410	2.1
181.09692	1.8
183.01439	1.4
184.02248	1.6
185.02963	27.4
185.06602	1.0
185.09198	2.5
185.12834	1.1
186.03149	1.1
187.04579	4.4
189.06441	1.5
190.96077	0.8
190.98752	1.0
191.02092	1.8
191.03970	1.7
192.99876	4.1
193.03432	1.4
196.95164	0.9
197.02975	12.5
199.04491	2.5
201.00710	1.5
201.02405	1.5
203.02225	1.5
203.03995	13.9
205.03638	2.3
205.05589	1.1
207.01340	0.9
207.04999	1.1
209.02980	4.9
211.00887	35.6
211.04408	2.2
212.01051	1.6
214.96326	1.0
215.04013	2.9
219.01691	4.2
221.03162	1.5
221.05063	9.5
223.04526	2.7
223.06535	1.0
225.02411	1.2
226.98589	1.1
227.04002	6.0
228.99883	1.3
229.01939	14.5
229.05414	1.1
235.00827	6.2
235.04558	1.1
235.07144	1.2
237.02661	5.6
239.04126	3.2
243.03638	1.0
244.99734	3.2
245.05081	70.1
246.05266	2.1
247.00882	2.4
247.03026	23.0
247.05449	1.8
249.02484	2.8
250.07101	1.2
251.04018	2.6
253.01942	10.5
253.05687	1.7
253.08180	3.6
253.12190	1.3
253.15526	1.3
261.02460	2.8
263.00928	2.0
263.03906	3.8
263.06250	17.8
265.02020	3.1
265.07797	1.3
267.03522	3.5
271.03073	11.3
273.04633	1.5
277.01874	1.8
279.03540	4.8
281.05051	1.0
283.03241	1.6
283.06387	2.0
284.16000	2.3
285.04541	3.9
286.07794	1.2
289.01746	2.4
289.04422	1.3
295.02997	10.6
297.04529	6.5
301.01654	1.3
303.01105	1.9
307.03018	14.1
308.03271	2.4
309.15594	1.1
311.06158	8.8
313.04077	6.5
315.05624	2.1
316.99414	1.3
324.06241	0.9
325.04041	4.4
329.07074	1.2
335.06677	1.4
337.04196	10.5
343.05096	1.2
352.16965	1.0
355.05103	100.0
356.05289	4.2
363.13235	1.0
373.06174	42.3
374.06451	1.9
380.15457	1.0
380.74225	0.8
387.07462	1.0
391.05261	0.9
396.07651	3.8
402.36148	0.9
415.02655	1.9
415.07300	1.7
415.12317	1.7
415.17624	1.6
415.22388	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01865	5.4
55.05512	9.3
57.03437	2.2
57.07067	2.6
58.99579	6.9
67.05504	16.8
69.03934	1.6
69.07071	26.4
69.25907	16.6
76.02239	15.7
79.05492	12.6
81.03386	1.6
81.07064	24.5
83.04968	4.5
83.08609	4.9
86.99055	4.7
91.05485	14.3
93.07058	15.8
95.04961	6.8
95.08603	14.3
97.06552	3.6
98.21522	3.5
98.51588	1.3
105.00082	7.6
105.07034	23.1
107.04978	5.7
107.08602	13.9
109.06534	8.8
109.10148	6.0
117.07023	4.4
119.08603	10.7
121.06537	7.4
121.10143	7.8
122.02734	53.5
123.08068	3.7
131.08572	7.3
131.22227	1.9
133.06488	1.9
133.10130	14.0
135.08069	3.4
135.11693	3.8
143.08568	3.8
145.06537	1.8
145.10136	7.1
147.11699	7.4
149.09656	5.7
151.11198	5.2
157.10217	1.8
159.11717	6.6
161.09608	2.7
161.13315	5.7
163.11169	3.8
171.11729	1.8
173.09593	2.9
173.13284	3.9
175.11238	2.1
177.12717	2.4
179.14268	2.6
187.14838	1.8
189.12750	1.5
191.14436	2.0
197.13300	2.2
201.12747	2.4
207.13797	3.7
219.13879	4.7
239.17764	3.5
247.20578	3.3
253.14058	1.8
257.18948	12.5
275.20081	100.0
276.20355	3.0
293.21130	46.9
294.21698	1.9
414.25577	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	414.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.7
55.01864	3.3
55.05518	1.6
57.03442	15.0
59.04992	2.5
61.02917	6.4
66.90228	1.6
67.56625	2.1
69.03434	48.1
71.04978	2.4
71.61958	3.0
73.02906	2.1
73.38444	2.0
79.05518	2.6
81.03418	6.4
83.04976	3.8
85.02904	67.5
87.04469	29.0
89.06042	6.3
91.03943	3.2
91.05511	2.8
93.07024	2.1
95.04967	7.1
96.05288	3.0
97.02897	41.8
98.97617	2.3
99.04429	4.7
105.07043	2.3
109.02868	6.0
113.02333	1.9
115.03927	39.1
117.31532	1.8
119.04982	2.3
119.08505	1.9
127.03924	15.5
133.04973	43.6
133.06499	3.0
145.04982	20.9
147.04376	13.2
150.03763	15.1
150.07602	4.2
163.06017	8.2
169.04947	2.0
234.09494	2.4
252.10536	100.0
253.10944	3.9
259.08261	2.5
287.43677	2.0
311.73615	2.0
361.69238	1.8
414.12027	3.9
414.21927	34.4
415.19022	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	414.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.8
59.84370	0.9
60.54562	0.8
67.05475	1.3
69.03431	10.9
70.06561	3.1
73.02247	0.8
77.56789	0.7
81.03366	2.5
81.07029	1.4
82.06552	1.6
85.02880	1.2
91.05453	1.6
92.05535	0.7
95.04935	1.6
95.08581	2.2
96.08110	1.2
97.02863	1.8
98.03155	0.7
98.06074	1.0
98.09692	86.4
101.65933	0.8
106.36448	0.8
109.02870	1.2
109.06521	0.8
119.04911	1.5
123.04433	22.9
123.08029	1.3
124.11230	100.0
125.02356	6.2
126.02622	2.8
127.03921	25.2
128.03456	0.9
128.04242	9.8
137.05928	1.5
141.05392	2.6
143.03412	1.0
143.04665	0.7
147.04396	10.2
149.05916	1.4
149.09612	1.4
153.05385	3.0
161.05925	2.6
165.05473	82.6
166.05826	1.2
177.05428	1.6
179.06996	1.3
189.12543	0.9
191.20099	0.8
195.06390	1.8
207.06464	3.6
207.13800	1.7
252.12265	1.7
262.14264	3.5
269.06512	1.7
270.06818	3.5
317.06686	1.8
317.10199	29.6
414.18814	28.2
415.19379	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	0.8
67.05511	0.6
69.07072	0.8
69.74599	3.2
70.06602	1.8
71.05024	0.6
79.05488	1.0
81.07051	0.7
83.77341	0.5
84.04542	0.6
85.02940	0.7
86.09705	0.7
91.05488	1.1
97.02924	1.0
97.06550	0.7
98.20822	1.1
98.97569	0.8
105.07047	1.1
107.04927	0.9
107.08623	0.9
107.85244	0.5
109.06473	0.6
110.34789	0.6
111.08111	0.5
127.03942	3.9
131.08521	0.5
137.09651	0.6
145.10213	0.6
147.04424	1.5
149.09668	0.5
203.05319	1.3
233.15457	0.8
251.12698	2.0
251.16330	1.5
257.50522	0.5
292.79114	0.5
413.21518	100.0
414.21872	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.176
Annotation	Bruceolline N
Peak:m/z	Relative Intensity
52.50714	0.9
53.03925	1.0
53.79517	0.9
55.01883	1.2
56.96560	2.6
57.03431	1.4
61.02922	1.5
63.43969	1.0
69.03433	5.1
70.06599	3.0
70.06904	2.1
70.07294	1.7
71.04962	1.1
72.23460	0.9
73.02911	1.0
75.12871	1.0
81.03428	2.8
82.06587	1.8
82.53863	0.9
85.02895	7.7
95.04992	1.6
96.08140	2.9
97.02878	4.8
97.08920	9.0
98.09727	1.7
98.97598	4.4
102.91875	1.0
109.02897	1.3
110.09703	2.8
110.97636	1.0
111.04460	1.8
116.98588	1.6
117.12589	0.9
121.98079	0.8
124.07612	2.2
124.11214	11.3
125.12050	1.8
127.03902	6.2
129.91469	0.9
134.09657	1.3
135.10472	1.0
136.07600	4.2
136.11211	5.5
138.05525	1.5
145.04990	1.8
148.11203	1.4
150.12868	1.1
151.09901	1.1
152.10710	34.7
153.01811	6.1
153.02896	1.0
154.02202	0.9
154.12396	1.2
161.04712	1.2
162.09171	2.6
163.03889	1.4
164.10745	3.3
170.99741	1.0
172.95280	1.3
175.06265	6.1
176.10736	3.9
178.12344	2.2
180.10257	1.2
182.99619	1.1
188.07053	12.7
188.10747	1.7
190.12280	0.9
192.10165	7.0
194.11757	0.9
196.13342	3.8
196.19907	1.0
201.00713	1.3
202.12321	2.0
204.06560	17.4
204.13872	1.1
208.13268	1.2
211.00798	1.0
216.06567	4.3
219.01723	1.3
222.14915	3.0
234.07623	11.5
237.02702	1.6
238.14427	2.1
244.95087	0.9
250.14400	0.9
252.08662	18.6
252.12386	2.5
252.15849	1.4
260.12988	1.3
272.12900	1.5
294.13403	2.5
306.13376	1.7
316.15460	3.3
324.14322	2.7
334.16449	2.2
336.14352	4.8
354.15503	1.8
378.15485	7.7
396.16556	38.2
414.17624	100.0
415.17963	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
52.84869	0.4
69.33765	1.6
69.34207	2.0
109.03825	0.4
130.88342	0.4
203.05266	1.2
233.15100	0.5
251.12520	0.5
251.16217	0.7
259.51944	0.3
305.18808	0.4
383.20428	11.0
384.20306	0.5
395.20270	2.4
413.21484	100.0
414.21805	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	413.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.3
55.05513	0.5
56.05008	0.3
56.96546	0.5
67.05501	0.4
69.03416	1.2
69.07064	0.6
69.54182	2.4
70.06604	0.5
79.05490	0.6
79.68730	0.3
81.03424	0.9
81.07059	0.8
84.08127	0.5
85.02882	1.2
91.05474	0.8
93.07041	0.8
95.04974	0.5
95.08607	0.6
97.02882	0.6
97.06537	0.6
98.06061	2.8
98.97575	0.5
103.05462	0.4
105.07020	0.8
107.08581	0.6
108.70599	0.3
109.02863	0.6
109.10161	0.6
117.87918	0.3
119.08569	0.4
120.08125	0.5
121.08440	0.6
121.10189	0.4
123.08054	0.3
124.11227	0.5
125.02359	0.6
126.01025	0.3
127.03898	0.9
133.10139	0.5
137.05975	0.5
137.09558	0.4
140.10762	0.8
145.10165	0.5
147.04422	0.5
157.10107	0.4
158.11775	6.6
191.07350	0.4
203.05289	2.3
207.34439	0.3
227.63385	0.3
233.15211	0.9
251.16280	1.6
305.01025	0.4
324.09885	0.5
337.10672	0.5
339.12299	2.5
367.11920	0.5
382.14001	1.5
383.14594	0.4
413.21478	100.0
414.21844	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1081
Annotation	Cibotiumbaroside A
Peak:m/z	Relative Intensity
53.03938	1.6
57.03428	0.7
57.14129	0.3
63.06738	0.3
64.22180	0.4
68.44853	0.4
68.48557	0.4
69.03423	4.8
70.02915	1.9
79.01862	2.3
81.03417	7.4
85.02886	1.8
90.14169	0.4
97.02899	8.1
99.04484	0.6
100.88390	0.4
109.02879	5.0
124.11270	0.5
125.01015	0.5
125.02359	28.9
127.03919	100.0
128.04288	0.9
142.63727	0.4
142.91974	0.4
143.03401	3.5
165.05521	0.4
210.50873	0.4
251.05518	1.5
269.06570	16.5
276.51938	0.4
404.73108	0.4
413.17780	3.2
414.19205	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94165	0.6
53.07906	0.6
55.01876	0.7
61.72429	0.5
67.56990	0.6
70.06585	1.5
71.16283	1.4
81.07047	0.7
85.02911	1.0
91.05473	0.7
97.54539	0.7
107.08603	0.9
112.09339	0.7
127.03930	1.3
133.10199	0.7
140.20032	0.7
147.04500	0.7
161.09651	0.7
163.11278	1.1
203.05226	1.0
211.06752	0.7
233.15289	1.3
251.12819	3.1
265.39328	0.6
288.82211	0.6
347.88751	0.6
383.20389	39.7
384.21063	1.3
413.21475	100.0
414.21942	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	412.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46344	4.5
51.82548	3.8
52.49212	4.9
55.05503	5.2
57.03422	24.9
57.18113	4.6
61.02907	4.6
63.13742	4.4
69.03431	93.9
70.46828	15.5
71.04982	7.8
81.03419	5.5
83.08636	5.5
85.02419	5.6
85.02908	93.8
87.04475	50.2
97.02894	80.3
115.03942	88.3
119.08580	4.8
127.03905	14.4
133.04971	100.0
135.08032	4.8
145.04961	21.0
150.07631	13.4
161.10519	4.2
163.06012	7.7
259.08072	4.7
349.24448	4.6
412.20386	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	412.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01877	1.1
55.05516	4.5
56.05034	3.6
56.96576	0.3
57.03450	0.5
57.07076	1.3
60.04533	2.7
60.05445	0.3
62.51765	0.2
65.03950	0.5
67.04254	0.4
67.05507	12.5
68.05034	0.9
69.03435	4.1
69.07069	3.7
69.29520	0.8
69.29940	1.6
70.06601	0.6
71.04994	2.7
71.08628	0.6
74.06102	0.3
77.03951	0.3
79.05495	13.3
80.05017	3.7
80.05763	0.2
81.03426	2.0
81.05807	2.8
81.07060	11.4
82.06581	5.4
83.04974	0.8
83.08631	3.2
84.13441	0.3
84.84889	0.2
85.06554	1.8
86.06077	0.3
87.04467	3.5
91.04948	0.5
91.05486	6.0
93.07050	21.8
94.06113	0.3
94.06571	19.3
95.04972	3.2
95.08609	21.3
96.08131	3.9
96.08803	0.4
97.06525	5.1
97.10169	1.6
103.05460	0.8
104.70070	0.2
105.04502	0.7
105.07034	11.6
106.06553	0.9
107.07336	3.2
107.08591	0.8
108.08106	0.4
109.10176	0.6
110.09686	10.6
110.10415	0.4
110.76155	0.3
111.08082	14.0
111.11738	0.3
112.07655	0.3
114.09278	0.2
119.08603	0.5
120.08101	0.4
120.08961	0.3
121.10156	0.8
122.09673	35.3
123.08076	25.2
125.08450	0.3
125.09637	0.2
128.10721	38.7
133.10149	0.3
135.11707	0.5
140.10706	100.0
141.09114	10.2
141.11043	0.7
145.02831	0.3
149.13261	0.6
158.10443	0.5
158.11769	8.9
163.14836	0.5
164.15137	0.3
173.13307	0.3
175.14912	0.3
177.05504	0.3
189.16528	0.3
219.21144	0.3
237.22029	0.4
254.24721	1.3
272.23138	0.4
272.25842	6.4
278.28375	0.3
336.32544	0.4
352.31946	0.7
364.31903	0.8
376.31726	0.9
382.33167	4.1
394.33167	11.9
395.33481	0.3
412.34088	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	412.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
54.03492	0.4
54.66761	0.3
55.01870	0.4
55.05509	2.1
57.03433	0.6
57.86866	0.3
58.55646	0.3
59.05031	0.4
59.64771	0.3
65.77765	0.3
69.03438	2.5
70.06563	0.4
70.19991	1.4
71.04971	0.8
73.02895	0.5
78.36771	0.3
79.05501	0.6
81.03440	1.9
81.07071	0.6
82.06580	8.9
83.04972	1.3
85.02895	1.5
96.08119	2.5
97.02890	5.4
97.06503	0.3
97.08944	0.4
98.09695	12.4
99.04462	2.0
102.29999	0.3
109.02868	1.4
110.09674	1.4
111.04456	0.4
124.11227	100.0
125.11507	0.5
127.03914	28.8
142.12268	7.8
143.61629	0.3
145.05028	0.4
153.05447	1.3
184.13470	0.4
190.84572	0.3
226.14438	0.6
250.10843	0.5
261.03726	0.4
268.15375	1.9
286.16486	15.4
338.23090	0.4
364.27246	0.4
412.19708	19.9
413.20010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
56.05023	0.6
56.96564	0.8
57.03430	1.0
67.05494	1.2
69.03429	7.2
70.06590	0.6
70.71577	1.1
70.71950	0.7
71.04996	8.3
76.74607	0.5
78.03449	13.3
79.45461	0.5
80.05018	1.7
81.03419	17.0
81.07044	0.8
85.02901	6.8
91.05451	1.1
92.05782	0.6
96.04484	3.8
97.02900	5.0
99.04459	3.3
105.06940	0.6
106.02917	48.4
109.02877	9.3
119.08555	0.7
124.03953	100.0
125.04306	1.1
126.01070	19.8
127.03909	6.0
127.11195	26.4
142.47839	0.7
145.04990	0.7
145.12270	4.0
147.04408	0.7
153.01837	0.8
154.08601	0.7
155.08466	0.6
161.01048	0.6
166.05008	1.3
215.14394	0.7
224.05830	12.7
232.06033	2.4
250.07118	17.2
250.09753	0.8
259.06137	0.8
268.08157	56.4
352.04514	1.0
380.52359	0.6
394.09082	0.8
412.10141	1.3
412.14828	1.2
412.20355	3.7
413.21774	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	411.3625
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.60130	2.7
53.03925	5.3
55.05519	19.6
57.07061	3.8
59.05001	3.4
64.56043	2.5
65.03931	2.8
67.05511	28.4
68.00614	2.6
68.07155	2.5
69.07076	25.9
70.89734	5.0
71.04970	3.3
79.05507	21.1
81.07058	65.8
83.08610	15.7
85.06560	3.2
91.05470	23.3
92.62412	2.5
92.75558	3.4
93.07047	46.3
95.08608	100.0
96.08950	2.5
97.10174	7.8
105.07024	46.3
105.07658	4.2
107.08601	71.8
109.06519	4.9
109.10156	54.6
111.11747	4.2
117.06987	4.5
119.08587	61.3
121.06503	3.2
121.10139	58.5
123.08081	3.8
123.11699	22.9
129.06996	4.4
131.08545	16.2
133.10133	42.8
135.11702	35.5
137.13274	13.5
143.08603	7.3
145.10150	20.3
147.11700	35.0
149.13274	32.2
151.14870	2.9
157.10094	7.3
159.11681	16.8
161.13280	30.6
163.14828	38.3
164.15297	4.4
165.12785	3.4
171.11743	6.1
173.13271	19.5
175.14839	28.9
177.16400	21.6
179.14322	10.4
185.13315	5.4
187.14832	18.8
189.16405	27.0
190.05840	2.5
191.17952	18.8
199.14844	4.5
201.16391	15.5
203.17967	32.6
205.19458	4.7
207.17384	5.7
213.16377	7.9
215.17975	13.2
217.19469	12.2
219.17560	4.0
225.16370	3.6
227.17938	4.6
229.19586	3.8
231.21112	8.0
233.18933	3.2
239.17746	2.7
241.19511	4.4
243.21091	7.8
245.22569	3.9
257.22528	5.3
269.22601	4.8
301.91580	2.6
393.31393	3.0
393.35306	27.6
411.36572	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01855	0.3
55.05511	2.4
56.05033	0.3
56.96552	0.3
57.03425	0.6
59.04998	0.4
61.02914	0.3
67.05496	0.5
68.99765	0.2
69.03433	3.1
69.07057	0.2
70.06588	0.7
71.01341	0.3
71.04984	0.9
71.33452	0.4
72.08163	0.3
73.02905	0.7
79.05486	0.7
80.09908	0.2
81.03431	1.8
81.07047	0.8
82.06581	9.5
82.59978	0.2
83.04990	1.3
83.07339	0.2
84.08161	0.3
85.02906	3.1
87.04475	0.4
93.07053	0.2
95.04950	0.2
95.08629	0.2
96.08131	2.5
97.02892	4.7
97.08887	0.5
98.09695	11.5
98.97574	0.7
99.04454	1.8
99.08037	0.2
100.01977	0.2
102.00960	0.3
103.00630	0.2
109.02884	0.9
109.08884	0.2
110.09653	0.9
111.04477	0.4
115.33042	0.2
116.98577	0.4
119.01935	0.3
120.02048	0.2
122.09668	0.3
124.11230	100.0
124.99108	0.2
125.05961	0.3
125.11578	0.8
127.03917	27.5
134.04738	0.3
136.06201	0.2
138.05531	0.4
140.10722	0.3
142.12273	7.5
145.04955	0.5
149.01231	0.2
150.09169	0.5
153.01840	0.9
153.05472	1.4
157.01767	0.2
157.03427	0.4
158.03650	0.2
158.99728	0.2
161.01207	0.3
171.06479	0.3
173.02975	0.3
184.13303	0.5
185.02953	0.3
186.09163	0.8
187.02780	0.2
194.48393	0.2
206.11742	0.3
212.48911	0.2
214.08618	0.3
223.06758	0.3
224.06755	0.4
232.09761	1.2
232.13297	0.3
237.02803	0.2
239.04353	0.9
250.10779	1.3
250.14476	1.0
265.07767	0.3
266.07971	0.2
268.15405	1.8
286.16492	14.8
286.95667	0.2
287.17020	0.3
303.01477	0.7
314.06372	0.4
394.14664	0.5
402.99756	0.2
412.10501	0.6
412.19757	20.0
413.19769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03959	2.3
55.05292	1.8
55.05511	18.8
57.07061	4.3
67.05505	17.9
69.06715	1.9
69.07069	24.4
71.31847	4.0
72.90701	1.7
79.05496	13.2
79.24677	1.6
81.03394	1.9
81.07061	44.3
83.08627	40.8
87.38097	1.5
91.05477	16.8
93.07047	35.5
95.08611	82.9
97.06552	2.0
97.10146	4.0
105.04498	1.7
105.07038	34.8
107.08597	64.9
108.08899	2.0
109.06485	2.1
109.09439	3.2
109.10154	38.5
109.10899	2.2
117.06975	3.7
119.08584	68.2
121.09296	3.4
121.10150	60.4
123.08091	1.9
123.11705	17.2
129.07040	2.8
131.08569	10.4
133.10133	48.2
133.84467	1.7
135.11699	30.3
137.13246	8.2
143.08545	4.6
145.10110	13.2
147.11697	31.4
149.13246	17.5
151.11238	2.7
151.14810	2.5
153.09094	4.5
157.10104	4.3
159.11699	10.5
161.13275	19.2
163.13573	2.4
163.14838	27.1
165.12808	2.2
165.16417	3.4
171.11621	3.3
173.13281	9.6
175.14819	37.4
177.16403	40.8
179.14288	2.3
185.13281	3.4
187.14885	12.9
188.22546	1.5
189.16389	75.8
189.18098	3.6
190.16762	3.0
191.17998	15.1
199.14833	4.2
201.16417	12.1
203.17964	25.4
204.18256	2.0
205.16008	2.5
207.17474	3.1
209.57036	1.6
213.16357	5.8
215.17929	8.4
217.19437	5.7
221.19122	3.4
225.16353	2.3
227.17902	2.9
229.19504	7.1
231.21036	2.8
235.16930	5.1
241.19524	4.6
243.21049	4.6
255.21083	3.0
257.22617	4.5
269.22589	3.8
271.24136	2.2
283.24033	3.2
324.18991	1.6
329.24881	2.2
365.31894	5.8
393.35452	13.8
411.36520	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3625
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05519	12.4
57.07073	5.3
58.33939	2.4
63.49263	2.8
65.03950	2.8
67.05508	27.3
69.07075	20.6
69.37643	17.2
69.38047	5.3
79.05489	20.6
81.06583	3.0
81.07061	60.0
83.08607	9.4
91.05478	16.4
93.07050	45.8
95.08610	100.0
96.08963	4.3
97.10172	5.6
105.07035	38.7
107.08604	75.1
109.10168	49.4
111.08102	6.4
111.11728	3.9
119.08592	53.1
121.09299	3.5
121.10152	56.1
123.07994	2.7
123.11722	20.4
131.08575	7.8
133.10127	36.2
135.11711	32.5
137.13245	8.2
139.11197	5.5
145.10129	12.9
147.11671	35.2
149.13280	37.2
159.11678	14.0
161.13261	28.8
163.14821	34.7
173.13271	10.8
175.14853	27.9
177.16393	27.8
179.14333	10.7
187.14836	14.3
189.16403	42.7
191.17944	19.0
195.17438	11.8
201.16376	11.2
203.17995	42.4
205.19518	5.8
207.17503	5.9
213.16240	4.7
215.17949	12.0
217.19530	11.7
229.19577	5.8
231.21053	9.7
233.19051	6.1
243.20941	3.2
245.22720	5.6
255.21109	4.4
257.22702	2.8
271.24265	3.2
344.04953	2.8
393.35233	18.1
411.36261	81.2
412.36603	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	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03951	2.6
55.05519	12.4
57.07075	4.2
59.04977	1.4
67.05508	20.8
69.07067	18.8
69.68746	7.9
79.05493	16.5
81.07059	54.0
83.08634	10.2
83.09078	1.5
91.05479	15.3
93.07050	37.9
95.04996	1.9
95.08613	100.0
97.10165	7.0
104.50098	1.2
105.07037	32.1
107.08598	57.3
109.10161	49.0
111.08106	2.4
111.11724	3.9
117.07043	3.2
119.08588	41.3
121.10150	49.1
123.08081	1.7
123.11691	17.5
124.97857	1.3
129.07033	1.5
131.08583	8.4
133.10141	40.0
135.11703	44.6
137.13268	6.6
143.08534	3.7
145.10123	16.0
145.58784	1.5
147.11702	25.4
149.09723	1.4
149.13266	24.2
151.11200	2.8
157.10173	5.3
159.11684	18.1
161.13268	28.9
163.14838	20.1
171.11676	3.4
172.12405	2.0
173.13268	12.7
175.13304	2.2
175.14832	44.9
177.16403	22.4
179.14360	5.6
180.69438	1.4
185.13310	2.9
187.14815	14.7
189.16396	28.8
191.17972	19.8
193.15906	3.6
197.13216	1.4
197.94902	1.5
199.14861	4.1
201.16405	17.8
203.17966	34.7
205.15880	1.3
205.19537	5.0
207.17462	13.2
213.16393	4.0
215.17990	15.0
217.19557	6.0
219.17433	3.4
221.18999	2.6
227.18047	3.9
229.19531	11.4
231.21112	6.8
233.19104	3.2
241.19528	3.9
243.21136	11.2
245.22684	2.4
255.21167	6.0
257.22574	7.2
269.22720	6.6
271.24292	2.9
287.23651	3.3
297.25711	9.7
315.26855	8.0
323.27475	3.5
337.28882	1.4
341.28412	3.3
351.30307	8.2
393.35175	38.3
411.05197	2.1
411.31580	5.7
411.36292	57.3
411.47379	2.3
412.36926	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
51.54988	3.1
55.05519	16.5
57.07076	8.6
67.05501	27.1
69.07074	26.8
70.73060	7.6
70.73407	5.6
79.05489	15.6
81.07059	66.1
83.08622	10.7
85.22823	3.2
91.05489	24.3
93.07044	38.9
95.08608	100.0
97.06544	3.3
97.10171	8.9
105.07024	30.8
107.08595	63.9
107.52521	3.1
109.10170	53.3
111.11606	3.8
111.53845	3.1
117.06978	3.4
119.08596	43.3
121.10151	48.4
123.11691	17.6
131.08582	11.9
133.10133	40.3
135.11705	39.3
137.13254	7.3
143.08551	3.1
145.10127	20.3
147.11659	30.7
149.13245	32.8
157.10146	4.0
159.11667	20.2
161.13287	30.6
163.14832	36.5
165.12761	4.2
165.16399	5.9
171.11758	3.6
172.12259	3.4
173.13257	14.0
175.14809	36.9
177.16356	23.4
179.14317	10.2
187.14813	18.8
189.16394	32.6
191.17969	26.0
193.15939	6.2
201.16357	19.7
203.17976	39.4
205.19443	6.2
207.17458	10.4
213.16307	5.0
215.17984	26.5
217.19485	14.8
219.17622	4.1
227.17967	4.0
229.19565	11.1
231.21034	7.7
233.18988	4.8
243.21104	11.2
245.22652	5.0
255.21060	5.8
257.22653	8.3
269.22653	5.0
287.23676	3.4
323.27359	3.7
351.30515	12.3
393.35251	55.5
411.31436	5.2
411.36298	85.3
412.36670	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	411.3622
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.18281	1.5
53.39964	1.7
53.83922	1.5
55.05505	5.1
57.07069	2.8
57.32495	1.5
58.01925	1.5
66.40594	1.9
66.87058	1.9
67.05511	10.9
69.07072	10.8
70.79034	3.6
70.79375	2.5
72.44875	1.9
77.36145	2.1
79.05489	9.1
81.07049	23.2
83.08636	5.8
91.05486	7.9
92.10293	1.7
93.07042	18.8
95.04956	1.8
95.08607	47.8
97.10159	2.6
105.07027	21.8
107.08588	28.4
107.81038	1.7
109.10158	21.2
116.03317	1.8
119.08577	27.5
121.10149	23.6
123.11700	10.9
131.08607	4.9
133.06534	2.2
133.10136	22.9
135.11684	16.3
145.10143	6.6
147.11684	16.4
149.13272	6.9
151.11296	1.9
159.11740	5.5
161.13196	11.3
162.58919	2.0
163.14819	10.3
173.13269	4.9
175.14873	6.9
177.16403	7.8
187.14836	3.5
189.16388	28.9
191.17955	5.8
201.16483	3.4
203.17931	14.6
213.16293	1.5
215.18022	6.2
217.19450	3.6
228.53867	2.0
229.19409	2.5
231.21156	3.2
255.21158	2.1
265.34634	2.4
268.43637	2.2
271.24057	2.4
314.57312	1.9
384.51395	2.0
393.35126	5.0
411.36279	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3623
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05518	10.7
55.48879	1.2
57.07062	1.5
58.37170	1.4
63.27201	1.3
65.03918	1.6
67.05508	19.5
69.07068	15.8
70.72803	2.5
70.73161	1.8
73.24229	1.3
79.05492	17.6
81.07063	46.7
83.08626	8.9
91.05471	14.9
93.00062	1.2
93.07051	36.6
95.08611	100.0
97.10179	3.1
100.05509	1.2
105.07029	26.3
107.08597	61.7
109.10166	40.2
109.62101	1.3
111.08074	2.3
119.07776	2.5
119.08585	32.5
121.10149	53.0
123.08134	2.2
123.11714	14.8
131.08591	3.9
133.10138	21.6
135.11697	23.8
137.13268	4.1
145.10136	9.7
147.11702	18.5
149.13261	28.3
151.11217	1.7
151.14793	1.7
157.10107	2.4
159.11734	10.2
159.22769	1.5
160.46880	1.3
161.13240	16.6
163.14833	54.5
173.13251	6.9
175.14868	17.9
177.12785	1.8
177.16388	21.9
179.14337	5.0
185.13260	1.4
187.14790	11.0
189.16397	26.9
191.14322	1.3
191.17979	13.5
199.14848	1.8
201.16457	5.1
203.17952	26.2
205.15959	1.5
205.19554	4.9
207.17467	4.7
213.16446	1.4
215.17978	4.8
217.19559	6.0
229.19560	4.4
231.21080	13.4
233.19023	3.6
241.19635	1.7
243.20973	1.8
248.43138	1.3
255.21107	2.4
257.22726	1.4
297.25861	8.1
315.26901	5.1
393.35284	10.1
411.36264	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	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05507	3.7
57.07067	1.5
67.05511	7.1
69.07073	7.6
71.23634	0.8
79.05489	5.8
81.07064	24.9
83.08610	3.3
91.05486	3.9
93.07050	13.4
95.08614	30.8
97.06502	1.5
97.10162	2.5
98.93047	0.9
105.06414	1.3
105.07032	8.5
107.08598	26.1
109.09444	1.5
109.10165	21.9
111.08113	1.3
117.07023	1.6
119.08580	14.1
121.10152	22.9
123.08150	1.0
123.11700	9.7
131.08574	1.7
133.10149	10.3
135.11707	12.2
137.13261	5.0
145.10133	3.7
147.11699	8.8
149.13266	10.1
151.14771	1.0
157.10153	1.1
159.11736	5.8
161.13254	7.6
163.14847	9.1
165.12697	1.1
165.16463	1.3
171.11516	1.1
173.13264	4.1
175.14795	5.6
177.16397	36.6
179.14252	1.0
185.13341	1.5
187.14809	2.9
189.16383	9.1
191.17928	5.5
201.16460	4.3
203.17953	7.7
213.16403	1.7
215.17990	4.0
217.19502	4.8
229.07854	1.2
229.19543	3.0
231.21062	5.1
233.19083	2.6
243.21138	3.9
245.22771	2.2
247.20627	8.7
255.21143	3.6
257.22632	3.9
259.24146	2.1
261.21982	2.2
269.22668	1.8
281.36966	1.0
393.35138	14.4
411.36230	100.0
412.36606	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	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
50.33141	4.9
55.05492	16.2
57.07076	9.2
57.21753	4.4
61.86433	4.4
67.05511	30.5
69.07085	32.4
79.05476	20.2
81.07058	75.7
83.08599	13.9
85.36558	4.5
88.14884	4.9
91.05476	23.2
93.07044	45.8
95.08609	100.0
97.10126	9.4
98.21570	13.2
105.07036	51.4
107.08590	83.2
109.10155	62.0
109.61033	4.8
115.18340	4.7
115.65836	4.8
117.06981	7.0
119.08607	63.2
121.10150	53.9
123.11727	27.8
129.07028	7.1
131.08553	17.6
133.10138	40.7
135.11707	55.7
137.13229	14.5
143.08536	7.8
145.10107	21.1
147.11716	29.9
149.13252	20.0
157.10095	9.8
159.11740	23.9
161.13271	29.8
163.14833	39.0
165.16341	4.9
171.11746	12.2
173.13260	17.9
175.14841	20.6
177.16420	18.6
179.14214	9.7
185.13309	9.2
187.14815	16.4
189.16374	31.5
191.17949	16.9
199.14749	8.4
201.16383	19.8
203.14172	6.4
203.18037	24.3
213.16316	11.7
214.17078	7.8
215.17880	17.9
217.19417	5.5
229.19478	34.4
231.21083	10.9
241.19376	11.3
243.20929	10.0
247.20560	14.2
257.22693	13.7
261.22159	5.4
269.22815	6.8
271.24301	10.7
393.35342	55.6
396.55099	5.2
411.36377	97.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3624
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
53.03938	1.5
55.05521	6.6
57.07067	1.6
67.05508	10.7
69.07067	10.4
71.00108	0.9
71.08636	0.9
79.05494	7.1
81.07058	32.1
83.08619	3.3
91.05489	7.7
93.07051	18.7
95.08610	40.4
97.06513	2.4
97.10167	3.2
98.20744	2.5
105.07018	10.9
107.08597	31.8
109.06509	1.7
109.10159	23.0
109.10912	1.3
111.08086	3.0
111.11740	1.1
117.07028	1.3
119.08577	16.4
121.10148	25.9
123.08048	1.6
123.11707	9.9
129.06963	0.8
131.08554	3.0
133.10127	11.1
135.11710	15.0
137.09587	0.9
137.13275	4.1
143.08565	1.4
145.10103	6.1
147.11702	8.5
149.13240	10.6
157.10193	1.0
159.11716	6.6
161.13257	8.1
163.14830	10.3
165.16403	1.7
171.11670	1.2
173.13264	5.5
175.14807	7.9
177.16386	34.9
179.14316	1.6
185.13298	1.3
187.14818	3.4
189.16418	6.8
191.17920	3.9
201.16440	4.2
203.17937	6.8
205.19554	1.2
207.17351	1.1
213.16400	1.0
215.17953	5.2
217.19543	4.9
219.17470	0.9
227.17900	0.8
229.19534	4.1
231.21118	5.2
233.18980	1.8
241.19366	1.1
243.21118	3.1
245.22658	1.5
247.20633	8.6
255.21146	1.3
257.22617	3.4
259.24188	1.5
261.22256	1.7
269.22736	1.0
271.24286	2.5
282.64932	0.8
287.23846	1.3
297.25894	1.3
356.28766	0.8
393.35141	13.6
411.36230	100.0
412.36584	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.3621
Annotation	4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-ol
Peak:m/z	Relative Intensity
55.05504	8.0
57.07071	2.9
67.05505	17.8
69.07069	12.8
70.22820	1.9
71.04575	3.3
71.04934	4.3
71.08635	2.5
73.16651	1.8
79.05486	11.6
81.07059	44.1
83.08609	7.9
85.06541	1.8
91.05476	9.3
93.07042	31.4
95.08609	54.6
97.10156	3.0
105.07030	20.9
107.08592	52.9
109.10154	44.4
111.08081	2.4
117.06987	3.5
119.08588	26.2
121.10145	46.9
123.11713	18.8
131.08591	5.0
131.86871	2.0
133.10147	25.2
135.11710	43.0
137.13254	7.2
143.08519	3.2
145.10089	10.8
147.11700	23.0
149.13261	20.6
151.14836	2.6
157.10147	4.1
159.11705	15.0
161.13284	11.8
163.14832	19.7
165.16409	2.4
171.11761	3.1
173.13321	10.0
175.14810	13.4
177.16386	13.7
185.13271	4.1
187.14848	11.2
189.16391	8.9
191.17937	8.4
199.14911	4.2
201.16397	8.3
203.17952	8.2
205.19519	2.7
213.16342	3.6
215.17816	9.8
217.19536	8.7
219.17627	2.9
227.17999	4.7
229.19533	7.1
231.21078	10.7
233.19067	2.7
241.19531	2.8
243.21088	14.8
245.22672	13.6
247.20563	3.2
255.21147	12.6
257.22586	17.1
259.24255	7.3
261.22198	4.9
269.22678	7.4
271.24170	14.5
273.22250	3.8
287.23727	8.4
306.74960	1.9
337.28745	2.2
341.28622	2.8
351.30649	3.7
393.35141	39.9
393.39929	3.4
411.36240	100.0
436.76401	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70384	2.3
60.83867	2.2
64.01517	2.1
70.77104	2.0
71.34049	3.8
73.02935	2.3
79.05506	2.1
81.07034	2.5
84.04531	1.9
85.02885	4.1
110.07436	1.9
127.03923	14.7
147.09200	2.2
164.04471	2.6
181.04958	2.2
192.04056	3.5
194.04582	2.2
201.03732	14.2
203.05276	58.6
203.07076	3.9
231.09941	9.4
233.11555	3.1
252.06125	4.4
280.05798	2.7
291.17252	3.4
325.13812	2.3
335.26544	1.9
347.13303	2.5
393.13895	4.8
411.16092	95.8
411.19983	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.0
56.96568	1.0
59.75580	0.7
69.03432	1.6
70.18339	3.0
70.18723	1.7
74.36502	0.8
81.03432	1.8
81.07033	0.8
83.04970	0.8
84.04507	1.3
84.96068	0.9
85.02890	2.1
95.08630	0.7
97.02901	1.6
107.04921	2.4
124.11245	3.9
127.03905	2.8
131.28751	0.7
145.70471	0.8
148.03662	0.9
153.01845	2.6
157.07567	1.0
160.87970	1.0
163.03917	0.9
165.10501	0.8
173.97708	0.8
182.99673	0.9
213.61247	0.8
249.03801	1.5
249.07280	1.7
249.09546	1.5
259.02399	1.0
267.01846	1.0
273.00140	1.3
275.01569	1.0
277.03387	2.6
303.01306	3.1
304.01978	1.2
394.99335	0.9
411.08899	100.0
411.21191	2.7
412.09341	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37945	12.5
57.76766	13.5
71.21536	27.3
85.02873	15.5
108.48627	13.1
109.02863	15.2
110.22584	13.5
124.11235	47.2
139.62189	14.6
175.90259	17.7
207.02937	18.9
247.07979	35.8
248.08055	23.3
249.03934	43.5
249.08560	15.8
263.14206	18.0
315.01334	33.9
411.10397	100.0
411.20093	51.3
421.01672	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	410.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56219	1.5
53.03931	2.3
59.05008	13.6
63.96846	1.4
69.03419	5.8
69.62482	10.2
70.06584	2.8
71.04994	26.1
81.03410	5.1
81.07029	2.1
84.04498	1.7
85.02904	14.7
87.04462	15.3
90.69277	1.5
91.05453	2.1
95.08587	1.9
97.02898	12.7
98.09675	1.9
98.97579	2.4
105.05505	9.2
105.07049	2.7
109.02876	3.1
127.03884	12.0
127.11195	100.0
145.04941	4.6
145.12230	35.0
153.01852	6.6
218.05595	2.0
231.08716	3.0
248.12766	2.8
301.26508	1.7
313.07092	4.1
333.07568	1.5
358.00836	1.6
363.10904	4.4
364.11450	2.8
392.14993	19.4
410.15805	10.3
411.19907	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	410.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95745	0.5
53.03938	1.0
56.59349	0.5
57.03424	0.7
58.17538	0.5
61.64111	0.5
69.03421	1.6
69.26507	3.5
69.26926	1.5
70.06583	0.6
71.04971	1.2
73.02923	0.7
81.03424	5.3
85.02892	1.8
94.02923	1.3
95.80177	0.5
97.02895	16.0
98.21508	1.1
99.04469	1.8
106.42654	0.5
109.02877	4.6
112.03967	45.8
113.04283	0.6
122.02343	2.5
124.11239	0.9
127.03922	20.9
140.03427	100.0
141.03720	1.1
147.04430	0.7
162.05519	0.7
174.38101	0.5
247.81523	0.5
248.09111	1.0
248.12842	0.6
265.95645	0.5
266.06598	16.4
284.07559	4.3
314.08691	1.1
318.57452	0.5
330.33661	0.5
332.09726	1.1
335.58875	0.7
350.10757	0.8
376.14447	0.6
410.04980	1.1
410.13431	0.8
410.18671	9.6
411.20090	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	410.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.9
53.07465	0.8
55.05510	1.4
56.05018	1.5
60.42305	1.0
67.05504	3.9
69.03407	2.1
69.07060	1.1
71.61623	2.2
77.03936	1.3
81.03419	1.5
81.07053	1.1
84.04514	2.1
84.08144	19.9
85.02910	2.9
86.67561	1.0
90.72417	0.9
91.05466	1.6
93.07053	2.1
95.04967	2.7
97.02916	1.3
98.09705	1.5
98.97587	1.7
103.54718	1.0
105.03394	100.0
105.07023	1.5
109.10139	2.1
110.09688	2.3
112.11229	1.3
120.08147	1.4
122.06017	2.5
126.12804	12.5
153.01845	8.0
188.10707	15.5
188.12251	1.8
204.06566	1.0
211.10007	1.2
220.13463	1.0
230.15396	27.0
248.16472	82.5
249.16754	1.1
307.05811	1.4
313.07114	2.3
335.07904	1.6
337.10580	1.5
362.10287	4.1
363.11014	11.6
364.11697	1.1
392.14948	36.0
392.20102	1.9
393.14984	1.9
410.15939	14.2
411.20172	2.6
422.63739	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12436	3.6
55.05508	11.4
57.07062	5.9
67.05506	30.3
69.07084	22.1
70.08689	14.8
71.08639	3.3
73.64809	3.4
79.05493	20.6
80.50709	3.4
81.07062	52.0
83.04987	4.0
83.08609	8.5
89.05992	3.7
91.05469	16.3
93.07050	40.9
95.08035	6.2
95.08611	86.9
97.06501	3.3
97.10181	5.6
98.20817	5.3
101.58112	3.2
101.59020	3.1
105.07049	41.8
106.89812	3.4
107.08601	68.0
109.10161	56.6
117.07023	5.5
119.08597	45.0
121.10141	68.8
123.11713	26.7
125.09621	6.4
129.07042	5.5
131.08588	15.4
133.10129	39.1
135.11707	34.1
137.09578	4.0
137.13214	6.6
143.08556	6.2
145.10124	18.4
147.11685	27.2
149.13258	22.0
151.11169	4.9
157.10115	12.8
159.11656	21.0
161.13226	17.0
163.14795	19.6
165.12740	4.0
169.10147	3.6
171.11714	13.5
173.13239	14.8
175.14819	19.6
177.16380	38.5
183.11620	5.5
185.13252	6.9
187.14857	15.9
189.16365	20.3
189.92184	3.3
191.14374	8.7
191.17995	9.5
193.15924	4.4
197.13351	4.8
199.14815	7.3
201.16411	8.9
203.18036	15.9
213.16409	10.6
215.18015	13.7
217.15942	7.2
217.19542	31.5
219.17424	6.7
227.17899	5.7
229.19527	7.1
231.17435	5.7
231.21202	3.7
233.18970	5.1
241.19565	11.4
241.78354	3.5
243.21095	5.5
245.18983	5.3
245.22592	5.8
255.21144	4.7
257.22665	10.2
259.20526	4.0
267.20996	4.4
271.24527	3.6
281.22769	4.4
285.22189	7.1
321.25867	3.9
341.76184	4.0
351.30612	4.9
391.33484	35.3
409.34772	100.0
410.35086	4.3
415.53680	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	409.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10743	2.3
53.03944	2.8
55.05509	20.6
57.07062	4.9
57.11474	2.0
62.31102	2.0
65.03922	4.2
67.05505	38.2
69.03415	5.3
69.07076	19.2
79.05486	24.1
81.07062	59.3
83.04984	13.5
83.08599	12.3
91.05476	27.4
93.07050	49.7
95.04960	7.1
95.08609	90.0
95.09229	4.3
97.06510	3.2
97.10142	7.1
97.74628	2.1
99.08079	4.0
105.07036	49.3
106.07350	2.6
107.08600	82.1
107.98876	1.9
109.06493	6.5
109.10156	73.1
111.08063	10.1
115.05470	2.7
117.07008	7.0
119.07786	2.9
119.08586	57.0
120.08934	2.2
121.06508	2.5
121.10146	62.5
123.08024	4.3
123.11728	24.6
125.09618	7.9
128.06248	3.2
129.06967	5.5
131.08566	31.8
133.10130	53.1
135.07991	2.7
135.10805	1.7
135.11690	37.0
137.09604	3.1
137.13263	5.3
139.11143	2.0
139.83679	2.2
141.07011	3.1
143.08568	14.7
143.84731	2.3
144.09134	2.7
145.09045	3.3
145.10127	41.2
147.11696	29.9
149.13274	26.7
151.11189	6.9
156.09315	2.7
157.10110	7.4
159.11705	28.0
161.13240	25.7
163.14793	19.0
165.16290	2.8
169.10152	4.0
170.10863	3.5
171.11694	7.6
172.12521	2.7
173.11868	3.4
173.13235	19.3
175.14838	34.6
177.12816	2.8
177.16391	31.6
183.11649	3.3
185.09593	2.4
185.13249	7.2
187.14825	100.0
188.15103	3.8
189.12637	2.8
189.16405	29.8
191.14296	9.7
191.17970	16.9
193.15852	8.0
197.13271	5.8
199.14821	10.0
201.16379	25.7
203.17984	25.8
205.15886	7.5
211.14732	2.6
213.16397	25.1
214.16789	2.4
215.18056	10.6
216.18709	2.2
217.16008	3.7
217.19501	37.1
219.17543	11.5
227.17896	7.8
231.17419	4.1
231.21135	3.8
235.20700	2.4
241.19475	6.7
243.20975	2.5
245.22672	10.7
253.19548	2.7
257.22699	5.5
267.21106	4.6
269.22577	5.2
281.22650	3.8
285.22037	2.9
295.24231	3.2
391.14972	2.6
391.33527	9.5
409.35013	56.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
55.05503	7.1
57.07071	2.9
67.05504	18.2
69.07069	14.2
71.20766	3.0
72.59877	1.0
79.05495	27.2
79.33869	1.2
81.07053	27.9
81.25555	1.1
83.04987	1.7
83.08633	6.7
85.60462	1.0
91.05487	11.6
92.82555	1.2
93.07040	28.5
95.08605	79.4
97.10166	2.8
105.07041	20.9
107.08595	100.0
108.08938	2.1
109.06537	1.8
109.10156	35.1
111.08009	1.1
111.11779	1.4
117.07040	3.7
119.08576	30.3
121.06512	1.8
121.10143	44.4
123.11708	7.7
131.08574	7.9
133.10136	28.9
135.08054	4.7
135.11697	20.6
137.09599	1.7
137.13260	2.7
143.08566	4.1
145.10133	16.3
147.11684	17.1
149.09622	1.6
149.13266	21.4
157.10159	3.8
158.10901	2.6
159.11676	10.7
161.09662	1.6
161.13252	10.5
163.11192	15.4
163.14806	12.9
171.11652	3.6
173.13263	5.8
175.11194	1.6
175.14815	27.1
177.12856	2.2
177.16377	41.4
183.11729	1.8
185.13261	3.4
187.14818	18.3
189.16374	14.1
191.17996	6.6
197.13274	2.9
199.14810	2.6
201.16414	7.7
203.14351	3.2
203.17961	35.0
205.15877	70.4
213.16377	3.3
215.17989	6.1
217.15820	2.0
217.19415	3.2
219.17444	3.8
225.16446	2.0
227.17964	1.9
229.19620	2.6
231.17427	2.2
239.18013	1.9
241.19533	1.9
243.21204	2.2
245.19127	1.5
255.21095	3.0
259.20712	1.8
269.22632	1.4
271.20752	1.7
285.25754	9.9
295.24161	16.1
313.25226	16.0
313.28540	1.4
339.26822	3.9
378.33185	1.1
381.35449	1.4
391.33722	5.7
409.34692	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	409.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.7
56.49474	1.1
57.07068	1.4
62.16891	1.2
67.05504	9.1
69.07066	9.5
69.51823	8.9
79.05491	7.2
81.04079	1.2
81.07063	27.8
83.08608	4.4
83.09990	1.2
86.58250	1.1
91.05486	10.4
93.07047	20.3
95.04980	2.0
95.08608	33.7
96.06607	1.1
97.10149	2.7
105.07033	37.2
107.08599	27.7
109.06522	3.9
109.10163	17.2
111.08093	1.2
117.06989	2.8
119.08584	30.3
121.06502	1.3
121.10149	34.2
123.08061	2.3
123.11713	4.6
125.54464	1.1
128.06262	1.3
129.07060	1.6
131.08554	7.6
133.06532	1.8
133.10152	21.8
135.08115	1.3
135.11703	12.9
137.09615	1.3
137.13278	3.2
143.08551	6.6
145.10129	15.3
147.08128	2.0
147.11702	17.5
149.09604	1.4
149.13271	13.8
155.08621	1.4
157.10158	4.7
159.11703	9.7
160.12408	1.4
161.13292	9.3
163.14815	12.6
171.11674	4.5
173.13257	3.7
175.11374	1.4
175.14845	14.9
177.16385	12.8
179.14322	1.4
183.11737	2.4
185.13260	6.4
185.68550	1.2
187.14842	9.8
189.16418	10.8
191.17921	3.5
199.14784	2.6
201.16417	5.4
203.14328	48.1
203.18050	5.3
205.15881	19.9
213.16394	5.0
215.17906	9.2
217.19574	2.1
219.17444	2.3
227.17900	3.7
229.19591	5.1
231.17424	4.1
231.21120	2.4
239.18127	1.4
241.19516	3.8
243.21065	3.3
255.21010	10.0
257.22702	2.1
267.21149	1.7
269.22632	3.9
285.22195	5.0
295.24222	2.2
312.98801	1.2
313.25308	1.5
391.33734	13.7
409.34659	100.0
410.34857	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
55.05516	5.1
55.48611	0.8
57.07071	2.5
63.91372	0.8
66.63129	0.9
67.05506	9.2
69.07072	15.7
71.31683	1.6
73.38876	0.9
79.05492	9.2
81.07063	30.0
83.08632	4.2
91.05489	7.6
93.06460	1.3
93.07050	23.3
93.10008	0.8
95.08612	35.9
97.06532	1.4
97.10180	2.5
105.06359	1.7
105.07033	21.4
107.08604	34.2
109.10168	15.0
111.08098	1.2
117.07022	3.0
119.08592	21.8
121.10152	26.3
123.11720	7.2
129.07007	2.8
131.08569	9.0
132.98448	0.9
133.10138	17.3
135.11716	15.4
137.13287	6.8
143.08571	6.4
144.09338	1.5
145.10129	16.6
147.11700	20.8
149.13272	33.4
151.14880	1.1
155.08572	1.1
156.09344	1.5
157.10155	9.9
159.11700	11.0
160.12453	0.9
161.13246	9.6
163.14836	41.7
165.16312	1.2
169.10129	2.0
170.10876	1.1
171.11700	7.2
172.12463	1.0
173.13275	8.8
175.14828	9.3
176.74326	0.9
177.16388	11.4
179.14362	2.7
183.11705	2.1
185.13287	6.3
187.14833	14.2
189.16397	10.1
191.17978	2.8
197.13245	1.9
199.14821	6.8
201.16389	9.8
203.17970	12.9
211.14958	1.1
213.16422	6.7
215.17995	13.3
217.15845	1.1
217.19531	1.6
219.17465	1.7
225.16356	1.7
226.17267	1.3
227.17926	8.8
229.19502	9.8
231.21080	2.4
239.18024	2.3
240.18571	0.9
241.19502	9.6
243.21135	6.7
253.19539	2.9
255.21080	22.9
256.21671	1.3
257.22681	5.1
259.20605	4.9
267.21140	3.1
269.22632	13.5
285.22165	15.5
295.24252	3.3
313.25388	1.1
391.33636	12.7
409.34683	100.0
410.34967	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.5
62.74708	1.9
67.05507	26.2
69.07063	18.3
73.27091	2.1
79.05494	22.6
81.07060	56.0
83.08604	5.8
91.05480	18.2
93.07047	41.7
95.08612	100.0
97.10165	6.1
100.48664	2.0
105.07033	55.4
107.08600	66.5
109.06515	2.7
109.09447	2.9
109.10162	43.7
111.08065	12.6
117.07012	5.4
119.08587	51.0
121.10146	43.8
123.11716	14.2
129.07034	2.4
130.07742	2.1
131.08585	16.1
133.10143	32.1
135.11742	23.2
137.13252	4.2
139.11154	3.0
142.07835	3.2
143.08543	10.5
145.10129	30.1
147.11693	32.9
149.13261	38.5
156.09261	2.5
157.10136	9.8
159.11703	24.5
161.13263	19.9
163.14830	26.7
169.10033	3.2
171.11708	9.3
173.13258	17.8
175.14809	26.9
177.16388	27.7
183.11641	2.9
185.13245	7.9
187.14825	34.4
189.16412	23.4
191.17940	7.9
197.13300	3.4
199.14735	11.0
201.16431	17.7
203.17957	31.3
205.15933	12.7
205.19489	4.9
211.14810	3.2
213.16411	17.3
215.18019	8.0
217.19562	7.0
219.17445	4.8
227.17934	7.9
229.19609	5.8
231.17381	4.4
233.19073	3.2
239.18112	3.8
241.19505	6.6
243.21072	6.8
247.20566	2.3
253.19475	3.7
255.21071	11.5
257.22577	3.0
267.21207	3.4
269.22656	4.3
281.22656	2.6
285.22128	2.6
295.24197	5.8
309.25699	3.3
313.25366	5.1
351.30490	8.4
391.33603	7.0
409.34674	81.5
410.34760	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.29333	1.2
55.05511	8.3
57.07060	4.2
58.82530	1.3
62.91998	1.0
64.87443	1.0
64.91212	0.9
66.18678	1.1
67.05504	18.0
69.06715	1.4
69.07069	22.3
69.83215	6.6
79.05494	16.9
80.46997	1.1
81.07059	33.1
83.04970	1.4
83.08626	9.0
91.05486	13.8
93.07046	38.9
95.04964	2.1
95.08610	73.7
95.24917	1.0
97.10161	4.6
98.20821	2.1
105.07029	32.5
107.08597	67.4
109.06496	1.2
109.09444	2.0
109.10162	36.9
111.11718	1.2
117.07008	3.3
119.08583	34.2
121.06474	1.3
121.10145	53.1
123.08081	1.5
123.11686	9.2
129.86723	1.0
131.08549	8.4
133.10132	33.7
135.08037	4.4
135.11694	22.1
137.09613	1.9
137.13258	2.4
143.08516	2.0
145.10126	17.4
147.11690	22.1
149.09531	1.2
149.13263	43.7
151.11230	1.3
157.10136	3.2
159.11682	11.2
161.13248	16.5
163.11198	16.1
163.14825	30.1
171.11732	2.6
172.12415	1.3
173.13252	6.2
175.11186	3.1
175.14821	28.2
177.12787	4.4
177.16383	45.2
185.13269	1.8
187.14806	18.3
189.16394	20.7
191.14368	2.2
191.17981	10.7
199.14839	1.8
201.16386	10.1
203.17963	100.0
204.18303	2.1
205.15875	58.4
205.19377	5.6
213.16252	3.0
215.17952	4.4
217.19513	3.9
219.17490	4.5
229.19463	1.9
229.92361	1.4
231.17506	4.3
231.21176	1.3
233.19060	1.8
241.19537	3.0
243.21077	2.2
255.21007	2.1
257.22653	1.3
269.22562	1.3
271.20581	1.4
304.07751	1.2
309.02042	1.3
349.29105	1.5
381.35373	3.1
391.33688	7.8
409.34656	74.5
410.35052	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59507	1.4
55.05516	7.5
57.07055	2.4
62.00800	1.3
67.05509	9.3
68.96108	1.6
69.07070	13.5
69.58684	4.7
69.59114	4.7
79.05502	8.7
81.07057	30.1
82.46609	1.4
83.08604	4.3
91.05489	13.2
93.07044	20.6
95.08610	39.1
97.10172	3.3
98.21499	1.5
105.07032	43.6
107.07864	1.5
107.08592	29.3
108.77924	1.3
109.06545	7.3
109.10160	15.6
111.08112	1.4
114.72192	1.3
117.06990	1.5
119.07781	2.8
119.08584	43.5
121.06440	1.8
121.10141	46.0
123.08060	1.5
123.11714	7.4
131.08585	9.5
133.10138	26.3
135.08046	4.6
135.11703	16.5
137.13264	4.0
143.08539	4.9
145.10135	11.1
147.08083	1.5
147.11690	17.0
149.13307	6.9
153.12714	2.5
154.12338	2.0
155.54109	1.4
157.10107	5.0
159.11710	9.2
161.13275	15.5
163.14828	9.2
171.11685	2.4
173.13243	6.3
175.14799	20.9
176.15057	1.9
177.16360	9.1
179.14517	1.6
185.13248	6.6
187.14796	9.5
189.16342	14.8
191.14284	6.4
191.17946	23.9
193.15932	1.5
199.14806	2.1
201.16418	9.8
203.14317	60.0
203.17947	9.4
205.15894	32.6
205.19556	1.4
213.16335	3.7
215.18018	3.2
217.15825	1.4
217.19527	6.1
219.17487	14.5
227.17912	1.6
229.19577	3.1
231.17328	2.3
241.19502	1.8
243.21249	1.5
244.25192	1.7
253.83945	1.6
255.21109	2.2
391.33618	14.4
409.34625	100.0
410.34854	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.05506	7.1
57.07074	3.4
58.53636	1.4
61.30008	1.3
63.13261	1.2
63.39578	1.6
65.03919	1.7
67.05515	10.4
67.29996	1.3
69.03423	2.4
69.07072	14.1
70.19550	5.1
79.05502	11.4
81.06579	2.2
81.07060	36.3
83.04956	1.9
83.08618	5.0
91.05479	12.7
93.07049	25.3
95.04984	2.3
95.08615	43.8
97.06483	1.5
97.10159	2.2
105.07043	22.8
107.08604	45.8
109.10165	20.9
111.08094	1.9
117.07001	2.9
119.08594	27.3
121.10145	29.5
123.11698	7.6
129.05490	3.0
129.07018	3.2
131.08566	8.5
133.10150	19.5
135.11703	17.2
137.13249	6.8
143.08563	6.6
144.09268	1.9
145.10133	15.8
147.11699	22.3
149.09650	1.5
149.13268	32.3
157.10132	7.1
159.11725	12.9
161.13232	8.4
163.14836	43.3
169.10173	3.1
171.11679	8.5
172.12459	1.9
173.13289	11.0
175.11241	2.2
175.14827	10.8
177.16377	16.1
183.11717	2.8
184.12637	2.1
185.13228	6.7
187.14809	12.0
189.16360	12.9
191.17984	3.2
195.11650	1.6
197.13145	1.6
199.14848	6.0
201.16417	10.2
203.17975	15.6
205.15929	4.0
211.14752	3.8
213.16440	7.7
215.17929	19.4
217.19630	2.8
219.17474	2.2
221.15408	1.5
225.16360	1.7
227.17888	8.7
229.19539	10.9
231.21034	1.7
239.18066	3.3
241.19542	9.3
243.21155	4.6
253.19655	3.5
255.21092	19.9
257.22604	1.9
259.20605	4.3
267.21185	3.8
269.22629	9.5
285.22095	14.5
295.24274	3.1
322.17926	1.5
391.33566	12.5
409.34689	100.0
410.35037	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.5
56.40153	3.7
57.07066	9.0
63.54704	3.6
67.05506	28.0
69.07079	29.3
69.36373	13.3
69.36799	18.3
71.08618	4.0
72.04504	7.7
76.22376	3.9
77.39063	3.5
79.05482	17.8
81.06632	5.2
81.07059	64.8
83.08612	9.4
89.06013	7.8
91.05478	17.9
93.07061	41.3
95.08608	96.4
97.10185	4.6
98.86733	3.5
98.98452	4.3
105.07033	42.7
107.08604	73.3
109.10156	68.4
111.11694	5.2
117.07030	7.3
118.74416	3.8
119.08590	51.9
121.10148	54.1
123.11698	21.9
125.64504	4.3
129.06993	6.8
131.08574	21.8
133.08566	4.4
133.10158	31.0
135.11685	37.9
137.13223	17.0
143.08588	15.7
145.10107	30.7
147.11703	28.1
149.13298	26.5
157.10144	25.7
159.11681	39.4
161.13268	21.0
163.14833	45.6
169.10048	7.5
171.11668	15.7
173.13251	28.2
175.14850	14.7
177.16370	12.2
182.48732	3.8
183.11737	8.7
185.13255	15.0
187.14861	35.5
189.16342	20.6
191.17900	11.1
199.14868	10.0
201.16335	17.8
203.17984	16.0
205.19579	4.6
213.16440	10.2
215.18008	10.3
217.19536	11.4
225.16246	4.8
227.17958	7.9
229.19514	29.1
231.21133	5.9
241.19513	16.2
243.21091	15.1
253.19437	9.6
255.21112	37.1
257.22726	6.6
267.21136	7.6
269.22656	18.8
285.22250	6.4
295.24255	6.9
305.24216	3.4
313.25195	6.0
391.33423	31.7
402.22592	3.8
409.34555	100.0
410.35318	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	409.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.05519	7.5
56.65364	1.5
57.07067	3.8
58.33699	1.3
66.57868	1.3
67.05505	15.6
69.07065	15.2
71.31815	2.8
79.05495	13.0
81.07056	31.5
81.34721	1.4
83.08604	7.4
89.06018	2.3
91.05482	13.4
93.07047	31.3
95.04973	4.1
95.08611	42.9
97.10173	4.1
103.05466	1.8
104.05751	1.7
105.07032	100.0
106.03649	1.5
106.07364	30.7
107.08598	44.6
109.06519	1.7
109.10159	23.4
111.07098	1.2
111.08068	5.1
117.07013	6.1
119.08588	34.8
121.06503	5.3
121.09275	2.8
121.10136	28.1
123.11680	14.1
129.07047	3.1
131.08565	13.2
133.10124	24.5
135.08121	1.5
135.11690	25.3
137.09607	1.7
137.13245	6.2
143.08597	8.9
144.09125	1.7
145.10152	18.5
147.08089	2.6
147.11700	12.9
149.09647	3.0
149.13260	34.0
153.12770	2.9
155.08582	2.5
157.10150	6.3
159.11696	14.2
161.13235	8.9
163.11220	3.0
163.14832	25.1
163.16110	2.6
165.12738	2.8
171.11697	8.9
171.54033	1.4
172.12454	1.7
173.13261	13.1
175.14798	19.8
177.16379	14.3
183.10208	15.7
183.11734	2.3
184.10515	9.7
185.13278	5.6
187.14844	17.7
189.16399	17.0
191.17935	8.0
193.15857	2.4
197.13341	2.4
199.14897	5.8
201.16385	13.1
203.17938	15.4
205.15952	8.3
207.17450	1.4
210.13808	1.5
210.25459	1.5
211.14923	2.1
213.16415	17.3
215.17970	23.0
217.19475	3.3
219.17421	2.6
224.20120	1.5
225.16356	1.8
227.17899	6.7
229.19528	8.6
231.17456	2.7
231.21117	2.4
239.17976	3.9
241.19606	12.6
243.20990	9.3
245.19092	1.5
252.25053	1.3
253.19496	3.6
255.21103	19.6
257.22632	2.7
259.20691	2.7
267.21045	6.0
269.22812	4.7
295.24042	1.7
321.26117	1.7
329.95538	1.6
346.80042	1.4
391.33606	15.0
409.26086	3.4
409.34723	89.3
410.35165	3.4
412.84277	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1131
Annotation	Khellol glucoside
Peak:m/z	Relative Intensity
53.03959	1.5
63.35066	0.4
65.03939	2.8
67.92994	0.4
69.03427	2.8
69.99449	0.7
69.99868	1.5
70.87964	0.4
81.03419	7.6
85.02909	2.6
95.04967	3.2
97.02901	4.2
99.04453	1.1
103.66534	0.4
109.02872	3.3
111.04434	1.5
121.02872	96.0
127.03919	100.0
128.04242	0.7
139.03906	12.3
141.69336	0.5
145.04939	0.7
265.04309	0.5
265.07089	9.7
283.08084	2.0
409.18326	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	409.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03904	0.9
56.96542	1.1
67.05492	1.5
69.03394	1.5
70.03325	0.9
71.21899	1.9
76.65150	0.9
79.05481	1.3
81.03393	1.6
81.07018	2.7
85.02886	1.7
85.06522	1.2
91.05444	1.9
93.07029	1.2
95.04939	1.3
95.08575	2.4
97.02865	1.6
97.06499	1.2
105.07043	1.4
107.08571	1.7
109.10129	1.4
111.08048	1.2
116.98600	0.9
119.08578	0.9
120.69211	0.9
121.10101	1.8
122.09640	1.7
123.04401	1.0
123.07963	1.0
127.03857	1.4
127.07540	0.8
127.54615	0.9
128.10645	1.1
133.10060	1.2
135.08125	1.2
140.10712	1.7
143.08383	0.9
145.10074	1.5
147.04311	3.0
153.01784	1.7
159.11581	1.0
180.16360	0.9
185.04143	4.0
203.10381	1.3
247.09441	100.0
248.09589	1.5
265.09201	1.2
287.05463	1.5
291.70297	0.9
365.14896	1.4
392.14664	2.4
409.14355	36.2
409.26004	1.2
410.15601	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03438	0.4
69.37722	0.5
69.38120	2.9
72.58356	0.4
88.07561	0.5
93.07051	0.6
98.20731	0.8
100.69103	0.4
127.13757	0.4
135.11708	0.5
135.27690	0.4
136.07532	0.4
141.76068	0.4
143.24139	0.4
149.06250	0.4
153.12769	0.4
153.87212	0.5
203.05362	0.6
211.16963	0.9
212.17230	2.3
222.95242	0.4
247.09406	6.3
247.13089	2.8
276.84567	0.4
409.18384	100.0
410.18619	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	409.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22292	0.3
69.76533	1.5
69.76942	0.7
80.09912	0.3
81.03395	0.4
81.07077	0.4
127.07518	0.7
134.64244	0.3
181.18721	0.3
183.06520	0.5
235.60513	0.4
247.09425	0.4
247.13083	0.8
332.29303	0.3
370.87820	0.4
409.18359	100.0
410.18619	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81493	1.4
51.07175	1.4
53.03936	2.8
55.05513	13.8
57.01660	1.4
57.03433	1.7
57.07061	6.0
59.04984	1.6
65.03934	2.4
65.33236	1.5
67.05506	23.5
67.14305	1.6
69.03436	3.5
69.07069	20.7
71.04997	3.1
79.05495	18.9
81.07062	43.3
83.04987	2.6
83.08627	8.0
87.14837	1.5
91.05481	29.8
93.07052	44.8
94.85631	1.7
95.04976	24.1
95.08039	2.8
95.08611	55.6
97.06513	6.2
97.10162	3.6
97.36960	1.5
98.20687	3.5
103.05479	3.9
105.07032	75.1
107.08602	50.6
109.06512	6.7
109.10159	33.6
111.08085	3.3
115.05422	2.6
116.16405	1.5
117.07000	11.0
119.08582	58.9
121.06515	8.1
121.10152	40.7
123.08086	8.9
123.11707	13.8
128.06181	2.8
129.06987	5.8
130.07750	5.1
131.08577	20.3
133.06454	3.5
133.10138	31.4
135.08049	4.2
135.11694	27.1
137.05969	2.1
137.09636	3.7
137.13235	5.4
141.06992	2.7
142.07742	8.8
143.08545	12.6
144.09254	2.8
145.10135	31.7
146.51222	1.5
147.08051	7.6
147.11691	38.5
149.09590	5.6
149.13264	26.8
151.07561	18.1
155.08562	6.2
156.09413	3.1
157.10136	20.9
158.10881	2.3
159.08092	2.6
159.11694	17.8
160.08920	1.8
161.09615	4.7
161.13257	13.9
163.11194	5.6
163.14816	22.1
165.09084	13.6
165.12755	2.5
168.09296	2.1
169.10127	7.5
170.10701	1.9
171.11682	11.9
173.13245	18.1
174.13821	1.7
175.11182	18.9
175.14801	13.9
177.09058	2.6
177.16415	14.5
179.14220	1.9
181.10161	2.1
183.11684	7.2
185.13214	9.8
187.14801	19.0
189.12726	2.8
189.16402	17.5
191.14310	1.9
191.17964	4.4
197.13237	4.9
199.14771	7.1
201.12790	4.8
201.16391	11.1
203.14412	8.5
203.17989	19.3
205.15866	8.9
207.13802	5.7
207.17444	1.5
209.13341	2.3
209.15340	1.5
211.14798	5.0
213.16364	7.8
215.17967	14.7
217.19499	4.1
219.13811	2.8
219.17409	2.3
221.13368	2.4
221.15376	22.3
225.16393	3.1
227.17874	6.1
229.15939	2.8
229.19490	7.3
231.21091	3.0
234.16154	7.1
239.17963	2.4
241.19528	7.3
242.20305	2.6
243.21100	7.7
253.19585	3.3
255.21156	13.0
257.22583	5.4
259.20596	3.4
267.20926	2.6
269.22641	9.4
273.22141	2.4
285.22083	5.9
286.19342	2.4
287.20126	3.1
295.24103	3.4
300.20877	3.2
307.24194	2.3
321.25739	2.2
349.28824	1.6
391.26172	2.9
391.33554	18.7
409.27225	20.9
409.34576	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16211	2.2
58.34414	2.6
59.69134	2.3
67.05486	4.5
67.09960	2.5
69.03416	3.7
69.07052	7.9
69.40039	22.4
71.04990	16.6
73.60502	2.5
79.05511	2.7
80.36484	2.4
81.07047	5.0
83.08629	2.8
85.02866	5.4
88.21666	2.5
89.22789	2.4
91.05480	3.2
93.07082	3.9
95.08609	9.5
97.02908	3.7
97.06516	5.4
98.20751	4.0
98.97594	4.7
99.03834	3.2
99.04461	44.1
105.07046	3.8
107.08595	8.6
109.02904	3.3
109.10142	6.1
109.74335	2.5
113.09646	8.5
115.07596	6.6
119.08566	5.0
121.10159	2.9
123.11720	3.8
127.03889	4.4
133.10129	7.2
135.11694	23.3
139.11092	3.2
151.14755	4.4
172.95085	2.3
175.14847	6.4
185.04207	9.6
191.14288	3.2
193.15895	11.2
211.16925	100.0
246.11220	3.4
247.09410	15.3
283.12225	2.7
333.56589	2.6
409.14423	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90298	7.2
55.05512	11.7
64.43217	8.4
67.05486	16.5
69.07055	25.1
69.32018	14.3
69.32420	58.4
71.04986	12.8
74.04549	6.7
79.05478	8.7
81.07034	19.0
83.08592	15.2
85.02883	17.7
85.06534	13.6
89.06026	24.4
91.05451	9.1
93.07036	20.0
95.08601	32.1
97.06519	23.7
97.67861	8.6
105.07023	12.5
107.08578	24.7
109.06533	11.3
109.10165	21.1
110.41111	7.8
115.07561	7.5
119.08587	23.0
121.02872	12.7
121.10164	17.8
123.11704	18.8
127.03912	8.4
133.10124	36.7
135.11627	34.2
143.97200	9.1
149.13239	22.4
175.14809	85.0
193.15862	71.0
211.16943	100.0
246.11208	43.0
247.09438	25.8
264.02896	9.9
334.25107	8.1
408.16641	9.6
409.17966	67.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68165	4.6
55.05512	9.5
56.96569	7.3
67.05488	6.6
69.03431	9.8
69.07063	18.1
70.95052	14.0
70.95397	5.0
71.04985	9.8
73.87164	4.4
79.05504	9.3
80.53876	5.0
81.07047	23.4
82.59233	4.7
83.04984	7.4
83.08598	7.5
84.96002	4.4
85.02894	18.2
85.06539	6.2
91.05465	14.4
93.07063	13.5
94.78570	5.3
95.04938	10.2
95.08603	25.6
97.02896	12.9
97.06540	16.4
98.97566	5.7
99.04474	5.2
103.05437	6.8
105.07028	21.1
107.08594	22.2
109.06501	9.8
109.10144	31.2
116.07069	9.4
119.08574	25.1
120.04472	17.0
121.10134	16.8
123.08088	11.0
123.11714	21.9
127.03869	8.8
127.11192	6.2
131.04942	19.5
133.10120	36.4
135.11684	33.3
135.12701	5.0
137.09650	8.5
147.11649	25.7
149.13263	11.8
157.10022	6.8
165.12743	12.7
175.11276	7.1
175.14821	54.8
193.15881	44.4
211.16934	100.0
229.14357	80.3
247.09413	21.1
261.04117	6.5
409.14661	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	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98113	9.4
56.37829	10.5
65.43902	9.7
69.07060	32.5
69.30286	100.0
74.71571	9.6
82.20834	8.8
84.04524	9.4
84.79639	9.7
85.02892	19.8
89.06017	12.8
93.07020	13.4
95.08588	29.3
97.06519	16.9
105.07058	13.9
107.08617	23.8
109.06485	11.5
109.10172	24.7
119.08567	17.1
121.10085	17.0
123.11658	11.6
127.03935	15.6
133.10117	32.1
160.32541	10.4
175.14803	47.1
193.15843	56.9
211.16939	90.9
246.11241	22.9
247.09468	14.0
409.18576	73.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88746	2.1
67.05505	3.1
69.07074	5.0
69.33943	20.9
71.04996	2.9
76.03683	2.1
81.07054	4.1
85.02908	2.6
85.06538	8.4
93.07051	8.1
95.08614	6.3
95.87280	2.2
99.08080	4.9
107.04997	2.6
107.08592	9.1
109.10150	16.5
119.08570	4.4
121.07402	2.4
121.10120	3.4
123.11758	2.9
133.10118	5.1
135.11702	26.7
142.16896	2.4
142.18323	1.9
149.13231	8.0
153.12776	15.0
175.14847	6.8
193.15862	2.3
205.30208	2.0
211.16940	100.0
212.17218	2.1
215.53154	2.0
235.61105	1.9
247.09537	3.3
247.13062	3.9
255.92125	2.0
322.26813	2.1
409.18356	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.4
53.03934	1.0
55.05504	0.4
67.05494	0.8
69.07050	0.8
71.04960	0.4
71.62216	0.5
73.63877	0.3
75.80463	0.3
77.03941	0.5
77.49179	0.3
77.72688	0.3
79.05499	4.1
81.07049	1.3
89.06035	2.9
91.05482	1.3
93.07052	1.6
94.04269	0.4
94.07393	0.4
95.04975	2.4
95.08613	1.4
96.08950	0.6
99.67375	0.4
103.05473	3.2
103.70625	0.4
105.07035	100.0
106.07376	1.0
107.08597	1.2
108.08925	0.6
109.10152	1.0
119.04949	0.3
119.08575	2.0
121.06507	5.3
121.10134	1.0
129.07030	0.5
131.08617	0.7
133.10164	0.7
135.11711	0.7
145.10150	0.6
146.10428	0.4
147.08044	2.3
149.09592	0.5
149.13226	0.6
159.11650	0.6
160.12131	0.5
163.11139	0.7
165.09154	1.3
169.10121	0.3
174.34604	0.4
183.10168	23.5
187.14873	0.5
188.15190	0.6
189.16437	0.5
191.10744	0.9
202.16660	0.5
209.13251	2.1
223.11217	0.9
225.12857	0.4
269.80627	0.4
287.16449	1.6
305.00781	0.5
311.43768	0.4
312.24139	0.7
408.10773	0.7
408.33359	4.6
408.37277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70249	0.5
53.03952	1.1
55.05522	0.7
56.96569	0.6
57.07875	0.5
67.05521	0.7
69.07072	0.8
71.61546	0.7
78.76994	0.6
79.05495	4.2
81.07048	2.1
81.57184	0.6
82.74840	0.6
83.08603	0.6
86.09692	1.2
89.06042	3.4
91.05462	1.6
93.07053	2.3
95.04957	1.4
95.08600	1.5
103.05460	2.8
105.07032	100.0
106.07370	1.6
107.08597	1.2
108.08914	0.6
109.10168	0.7
110.10477	0.6
116.06504	0.6
119.08606	1.4
121.06519	4.3
121.10132	1.3
129.07045	0.8
131.08549	1.2
133.10161	1.4
135.11716	0.7
145.10164	1.8
146.10475	1.0
147.08037	2.4
147.11714	0.7
157.10127	0.7
159.11745	0.6
165.09138	1.0
183.10170	23.6
183.11774	1.2
187.14766	1.1
188.01231	0.6
188.15057	1.1
191.10771	1.0
203.92810	0.7
209.13284	1.7
223.11143	1.0
227.17976	0.7
287.16516	1.8
352.35434	0.7
390.32410	1.2
408.10959	1.6
408.33575	5.4
419.62143	0.7
423.47159	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
53.42565	1.7
55.05503	3.5
57.03424	3.2
58.96225	1.8
61.02897	2.0
67.05505	14.2
69.03404	5.3
69.07058	7.1
70.06635	1.7
71.61547	2.4
78.50989	1.7
79.05492	8.5
81.03412	4.6
81.07056	42.2
83.04948	4.0
83.08603	6.7
83.38808	2.6
85.02902	15.4
85.06528	4.5
91.05493	10.1
93.07031	7.9
95.08642	8.5
97.02874	5.6
97.06505	3.3
99.04466	2.4
99.08088	4.0
105.07030	22.5
106.06002	1.9
107.08622	8.4
107.09204	1.8
109.06516	3.8
113.05997	1.9
119.08570	16.7
121.10137	16.6
123.08059	2.7
123.11721	19.8
127.03883	4.3
127.07535	3.2
131.08522	2.4
133.10143	3.2
145.04961	3.6
147.11688	64.8
165.11368	2.9
165.12747	45.5
180.08641	3.9
182.86882	1.8
183.13806	13.9
193.12120	4.0
211.13277	9.6
211.17029	2.9
226.10056	1.7
229.14343	100.0
247.13025	2.5
408.10757	18.4
409.16473	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	408.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31092	1.2
56.61044	1.3
59.52989	1.2
61.45436	1.4
68.68337	1.4
71.04955	1.6
71.59966	1.7
71.60329	1.7
84.59829	1.4
85.02896	5.3
86.09661	1.5
91.05486	2.0
97.02896	1.9
107.04970	1.5
122.03607	1.6
127.03915	4.3
137.05977	2.0
138.05505	25.8
147.08017	2.4
153.01770	7.4
167.07040	100.0
193.08586	2.9
193.45047	1.6
200.07072	2.4
202.12160	1.6
211.09602	13.3
223.11348	1.7
228.06606	2.1
229.10605	8.1
246.07628	70.2
282.83237	1.5
390.15646	1.6
408.11917	8.8
408.16644	6.0
408.22522	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	408.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
61.67433	2.0
67.05529	2.7
69.03416	3.5
69.07063	8.8
70.06583	3.4
71.04997	3.9
79.05505	3.4
81.07043	5.1
83.04967	3.1
85.02892	9.7
91.05470	8.7
93.07037	9.5
95.04939	3.0
95.08611	3.7
96.08110	2.8
97.02881	2.7
98.21465	7.3
98.97570	3.6
105.07021	8.7
107.08572	6.0
109.02907	2.4
109.06525	11.1
119.08591	4.7
121.10138	3.1
123.11716	2.4
127.03917	7.0
127.73241	2.1
131.08566	4.7
133.10136	51.0
137.05936	3.2
137.09663	2.1
145.04935	3.3
147.11668	9.5
150.51480	2.4
151.11183	37.5
155.07028	10.0
169.12418	2.1
175.11269	5.1
182.01831	2.2
193.12279	28.6
206.91565	2.5
211.13306	100.0
229.14302	23.0
239.08127	2.6
246.07613	9.7
256.09702	5.6
313.08197	3.6
331.09348	6.3
349.10333	4.4
379.49216	2.0
389.50912	2.0
403.09924	1.9
408.14374	8.0
409.12915	3.8
409.18323	31.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05520	0.9
56.04998	0.2
58.99569	0.4
69.03445	0.2
69.95244	0.8
76.02223	0.2
83.08599	1.0
84.04511	0.9
85.02904	0.2
86.99067	0.3
88.02216	0.2
97.02892	0.3
116.01685	1.8
128.42421	0.2
129.06960	0.2
130.05022	0.2
144.01128	0.5
144.08124	0.3
147.08070	0.2
154.06601	0.4
158.06003	0.2
159.08394	0.7
162.02216	2.8
170.06129	0.2
172.07559	1.2
182.05995	0.5
186.05446	0.3
199.06212	0.2
200.07063	1.4
202.08571	0.9
228.06551	5.0
228.10027	0.2
246.07617	100.0
247.07973	2.1
261.10919	0.4
262.11096	1.4
279.13690	0.4
313.25403	0.2
327.11765	0.2
333.14810	0.4
408.12622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	0.4
69.99872	0.9
81.03425	0.2
82.93060	0.2
85.02911	0.5
91.05488	0.2
92.39472	0.2
97.02891	0.4
97.66053	0.2
103.05416	0.2
106.83993	0.2
115.05464	0.5
129.06993	0.6
138.05489	0.4
144.06834	0.2
153.01846	0.5
154.06548	0.2
156.08112	0.3
159.04405	0.6
172.07597	0.4
186.05356	0.2
200.07056	2.0
202.08640	2.3
228.06593	1.4
245.63338	0.2
246.07617	100.0
247.07939	2.5
363.75244	0.2
374.70166	0.2
408.12613	0.9
408.22046	0.2
434.14041	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.4
55.05511	3.4
55.60179	0.2
58.99578	1.6
60.57595	0.2
69.03393	0.2
70.87408	0.2
71.20973	0.4
71.88432	0.3
73.01123	0.2
76.02216	0.7
76.03994	0.4
78.01799	0.3
81.07065	0.5
83.06106	0.3
83.08614	3.9
84.04506	2.3
86.99035	1.4
87.07639	0.2
87.86562	0.2
88.02204	0.4
101.09611	0.2
107.04932	0.3
116.01672	6.0
121.38596	0.2
129.06535	0.3
130.05037	0.3
142.03206	0.3
144.01135	2.6
146.05933	0.2
148.08426	0.4
150.55942	0.2
153.01796	0.2
154.06490	0.3
159.08377	2.9
162.02202	9.4
172.07587	1.1
176.11110	0.3
182.05954	0.3
186.05496	0.4
191.28679	0.2
200.07033	1.7
202.08626	0.8
228.06544	4.7
228.10139	0.3
229.10764	0.4
245.35580	0.2
246.07617	100.0
247.07921	2.0
261.10858	0.8
262.11087	5.2
276.27081	0.2
279.13733	1.1
287.18225	0.2
292.23169	0.2
333.15024	1.1
375.07925	0.2
408.12897	1.0
408.17816	0.4
408.22699	0.5
409.15878	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75624	0.2
56.56897	0.2
60.89811	0.2
69.03442	0.2
70.65295	0.3
70.65622	0.2
85.02895	0.4
117.72893	0.2
127.86685	0.2
131.04961	0.2
146.05942	0.2
147.04611	0.2
154.06537	0.3
172.07562	1.2
182.05971	0.6
186.05447	0.5
199.06189	0.2
200.07072	1.7
202.08562	0.7
202.24799	0.2
228.06569	4.5
246.07613	100.0
247.07922	1.7
279.73648	0.2
341.27713	0.2
408.12662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3673
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03940	2.4
55.05512	13.9
57.07067	7.1
62.58788	2.3
66.91440	2.3
67.05504	28.8
69.07066	35.5
71.08589	2.1
77.03936	2.5
79.05492	24.2
81.07060	73.8
83.08611	14.6
91.05482	22.0
92.19705	2.3
93.07045	43.5
95.04952	4.0
95.08610	100.0
97.06577	3.3
97.10178	8.1
105.07031	50.9
105.22596	2.1
107.04947	2.4
107.08605	59.2
109.06528	2.5
109.10164	60.2
117.07023	9.1
119.08581	60.4
119.09433	3.1
121.10157	46.2
123.08077	2.7
123.11726	26.0
125.09626	5.2
128.06244	2.7
129.07007	9.8
130.07826	3.0
131.08560	27.4
133.10129	41.7
135.11688	34.0
137.13260	18.3
142.07785	5.3
143.08580	23.3
145.10127	43.6
146.10913	2.9
147.11708	36.3
149.13257	33.2
151.14836	4.5
155.08603	6.3
156.09361	4.3
157.10132	20.9
159.11694	38.9
160.12440	2.4
161.13280	27.2
163.14803	23.9
169.10155	10.1
171.11710	19.3
172.12405	2.8
173.13264	28.1
175.14856	22.1
177.04823	2.4
177.16385	13.9
183.11734	10.5
184.12488	3.4
185.13240	16.5
186.37733	2.4
187.14812	40.7
189.16389	24.0
191.17944	14.5
195.11719	3.6
196.12544	3.1
197.13277	8.4
199.14806	18.2
199.44872	2.3
201.12756	2.8
201.16377	25.9
203.14339	4.3
203.17941	22.9
205.15805	2.5
209.13257	3.2
211.14844	10.8
212.15450	2.9
213.16367	23.1
215.14281	4.1
215.17961	23.6
217.16006	4.0
217.19540	10.4
225.16383	6.5
227.17966	10.0
229.16025	3.5
229.19569	14.6
237.16371	3.8
239.17960	10.8
241.19534	10.2
243.21112	7.2
251.17996	3.6
253.19548	10.4
255.21077	20.5
257.22647	33.8
267.21033	4.1
269.22647	19.7
271.24182	3.4
279.21170	3.3
281.22632	3.9
283.20859	3.3
283.24084	5.3
293.22580	2.8
295.24323	5.8
297.25784	3.0
309.25940	4.7
311.19864	2.8
315.19431	3.7
333.25626	3.4
344.12289	2.5
364.31241	2.7
389.32086	14.6
407.32870	53.9
407.36792	86.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3674
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
53.03939	1.8
55.05516	10.6
57.07075	6.7
65.03921	1.5
67.05160	1.4
67.05510	22.8
69.07072	20.0
69.39709	1.0
79.05502	12.5
81.07060	58.3
83.08619	8.0
87.04575	0.8
89.06046	1.9
91.05479	12.8
93.07048	28.9
93.07612	1.9
95.08611	100.0
97.10164	2.6
98.21524	2.0
105.07034	26.3
107.08064	0.6
107.08601	39.8
109.10160	44.6
111.11736	3.6
117.07051	4.3
117.52393	0.9
119.08588	30.1
121.10155	29.0
121.11023	1.8
123.11710	18.9
125.13377	1.1
129.07024	2.3
131.08583	12.4
133.08644	1.3
133.10135	22.5
133.11055	1.5
135.11708	21.1
137.13271	23.6
143.08553	5.4
144.09428	1.4
145.10149	14.0
147.11705	20.3
149.02365	3.9
149.13268	20.5
149.14342	1.6
151.14856	3.1
155.08641	1.3
157.10162	7.5
158.10899	1.2
159.11705	19.2
161.13258	18.8
163.14824	14.1
169.10223	1.9
171.11716	5.8
173.13269	11.4
175.14825	9.0
177.16403	5.8
183.11749	2.2
185.13263	8.0
187.14830	12.7
189.16399	18.9
191.17940	13.3
191.19554	1.1
197.13249	1.7
199.14766	5.3
201.16385	14.3
201.17966	1.2
203.17950	15.2
205.15819	1.4
205.19592	3.5
209.13222	1.2
211.14850	1.3
213.16360	6.7
215.17941	18.9
215.19846	1.2
217.19542	11.8
227.17879	5.8
229.19571	6.2
231.17592	1.0
231.21205	2.0
239.18172	1.4
241.19623	2.6
243.21042	6.5
245.22711	1.6
253.19470	1.0
255.21098	4.7
257.18948	0.9
257.19904	1.6
257.22617	17.0
257.24976	1.3
259.24246	2.2
267.21344	1.5
269.22595	8.2
271.24405	2.0
283.24176	4.6
295.24268	1.2
297.25644	1.3
309.12125	1.1
325.28906	1.8
337.29327	1.3
351.30511	2.1
389.32379	1.8
395.95932	1.1
407.36938	84.8
408.37350	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	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.3
55.05513	9.6
57.07074	2.3
59.05023	1.6
65.03937	1.7
67.05505	19.6
69.03426	1.5
69.07071	13.3
69.86236	2.3
69.86649	5.9
71.47517	1.4
79.05500	16.4
81.07054	37.1
83.04974	6.4
83.08619	5.9
91.05475	15.7
92.05801	1.5
93.07048	38.6
95.04975	4.4
95.08607	58.9
96.08895	1.9
97.10136	1.9
98.20837	2.0
105.07030	52.0
107.08594	50.5
109.06514	3.8
109.10152	36.4
111.08071	2.2
116.06203	1.6
117.06989	9.7
118.92367	1.4
119.08579	57.4
121.10150	47.6
123.08057	1.9
123.11710	15.8
125.09629	3.5
128.06229	4.0
129.07007	6.9
130.07721	2.3
131.08580	25.5
133.10132	41.1
135.11685	20.1
135.63493	1.7
137.09627	4.1
137.13245	4.0
143.08568	26.7
144.09326	2.3
145.10121	49.2
147.11681	18.6
149.13248	17.7
149.76425	1.5
151.11192	6.1
155.08571	5.8
156.09340	4.3
157.10118	16.9
158.10919	3.6
159.11699	27.0
161.13260	12.6
163.14818	13.2
169.10100	7.5
170.10902	3.1
171.11684	14.2
172.12569	1.9
173.13271	32.1
175.14825	16.1
177.16382	12.1
181.10085	2.4
183.11691	7.1
185.13249	13.3
187.14824	60.7
189.12762	2.5
189.16353	13.4
191.14305	8.9
191.17896	2.6
193.15909	1.6
195.11690	3.2
197.13223	8.0
199.14810	22.0
201.16374	26.2
203.14455	1.8
203.17995	8.2
205.15785	7.4
207.17433	3.2
209.13289	2.4
211.14830	5.1
213.16377	35.2
213.18346	2.9
214.17108	4.4
215.17921	35.6
217.15897	4.3
217.19528	3.2
223.14893	2.6
223.85217	1.5
225.16347	3.7
225.38112	1.6
227.17899	9.2
229.15956	7.2
229.19550	4.7
231.17404	3.2
233.19101	3.9
237.16451	2.9
239.17905	4.3
241.19495	11.2
243.17468	2.9
243.21101	6.8
253.19597	3.2
255.21080	13.2
257.19003	2.9
265.19513	2.3
267.21136	9.2
269.22736	4.4
281.22781	3.0
283.20663	2.2
283.24240	2.8
293.22739	3.7
311.23767	9.3
311.26984	1.7
319.24316	1.9
337.25308	4.1
379.33481	3.1
389.31979	13.7
390.78622	1.6
407.33102	100.0
408.33508	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.05515	10.9
56.96577	1.7
57.07077	2.0
58.75790	0.9
65.03953	1.3
67.05508	15.5
69.03448	4.5
69.07067	13.6
69.57056	6.3
71.05009	1.0
73.33289	0.9
75.28671	0.9
79.05505	12.4
81.07064	39.1
83.04988	2.9
83.08623	6.5
85.06524	1.6
91.05485	14.7
93.07047	32.1
95.04975	2.4
95.08610	47.7
96.09000	1.0
97.06494	1.3
97.10173	3.5
99.08105	2.2
105.07036	37.2
105.07742	1.8
107.08597	43.9
109.06523	4.0
109.10163	29.9
111.08075	5.0
111.11722	1.0
114.59747	0.9
115.05505	1.1
117.07026	5.6
119.08590	39.6
121.06474	1.4
121.10155	27.9
122.10473	1.0
123.08072	2.1
123.11718	11.2
125.09649	8.2
128.06229	2.9
129.06999	5.8
130.07771	2.4
131.08578	24.5
133.10141	25.4
135.08084	1.8
135.11707	11.5
137.09660	2.4
137.13260	2.8
139.11197	1.1
141.06996	1.6
142.07791	3.2
143.08575	17.2
144.09407	2.4
145.10129	42.0
147.08002	1.5
147.11690	16.9
149.09677	1.0
149.13280	15.4
151.11237	2.6
153.74139	1.0
155.08553	5.9
156.09348	2.2
157.10130	14.5
158.10870	1.9
159.11696	25.6
161.09683	1.9
161.13264	11.8
163.14818	16.7
165.12769	2.1
167.08597	1.0
168.09323	1.5
169.10181	6.8
170.10948	2.6
171.11714	13.2
172.12424	1.8
173.09485	1.2
173.13272	21.5
173.14656	1.6
175.11195	1.8
175.14856	17.1
177.12747	1.6
177.16368	13.7
179.14401	1.2
181.10158	2.2
183.11725	8.0
185.13249	11.7
186.14156	1.3
187.14828	59.2
188.15218	1.4
189.16394	18.4
191.14369	3.8
191.17947	3.1
193.15878	1.6
195.11836	2.2
197.13254	7.4
199.14818	14.7
201.16406	18.7
203.14270	2.3
203.18005	8.8
205.15958	2.8
207.11850	1.5
207.17377	1.1
209.13245	3.9
211.14897	5.6
213.16362	22.3
214.16985	1.3
215.14531	2.3
215.17946	14.6
217.15869	7.4
217.19574	2.0
223.14848	3.2
225.16373	6.2
227.17941	10.4
229.15880	2.7
229.19588	3.8
231.17459	3.2
231.21028	1.5
233.19089	3.4
237.16400	3.4
239.17940	9.0
241.19533	10.1
243.17488	2.3
243.21095	5.0
249.16708	1.1
251.18021	2.7
253.19568	6.3
255.17188	1.2
255.21121	8.6
256.74344	1.1
257.19031	2.7
263.18024	1.6
265.19547	3.3
267.21033	9.7
269.10657	1.2
269.22690	2.4
270.44055	1.1
279.21106	2.8
281.22571	2.2
283.20602	2.6
283.24249	1.9
293.22586	2.3
307.24075	1.8
311.23730	11.9
321.25909	1.2
333.25757	1.7
337.25323	3.3
349.28931	4.3
379.33731	1.9
389.32086	17.4
390.32434	1.1
407.33130	100.0
408.33533	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	407.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56093	2.3
55.05510	12.2
56.56627	2.2
56.96553	4.1
57.03425	3.0
57.07055	3.6
61.92110	2.1
67.05499	22.1
69.03419	4.0
69.07067	21.7
70.06590	4.3
79.05481	21.4
81.03391	3.1
81.07055	51.0
83.04967	6.1
83.08612	5.8
85.02892	6.8
91.03947	2.7
91.05465	21.1
93.07047	35.9
95.04956	4.3
95.08598	49.5
97.06506	6.1
97.10168	2.8
105.07026	45.7
107.08593	51.5
109.06490	4.8
109.10152	32.8
111.08054	3.6
115.05473	2.5
117.06987	10.2
119.08585	52.2
121.06513	2.7
121.10139	38.5
123.08008	3.5
123.11723	15.7
125.09615	4.8
128.06198	4.0
129.07040	11.9
130.07806	3.4
131.08563	36.1
133.06525	3.2
133.10129	37.6
135.11670	21.9
137.09647	5.1
137.13211	4.1
139.11162	3.6
141.06992	3.5
143.08559	28.7
144.09286	2.2
145.10112	46.4
147.11656	21.7
149.09578	3.1
149.13277	19.8
151.11211	4.0
155.08556	6.3
156.09373	3.4
157.10127	21.0
158.10822	2.9
159.07976	2.7
159.11685	25.4
161.09612	2.6
161.13301	16.2
163.11151	3.6
163.14799	15.6
169.10056	7.0
170.10884	2.5
171.11681	16.9
173.13260	38.5
175.14807	21.2
177.12735	2.9
177.16388	11.8
183.11655	8.2
185.13275	12.2
187.14815	54.3
189.16394	19.8
191.14319	5.4
195.11636	3.8
197.13245	7.0
199.14799	22.3
201.16353	25.7
203.14281	2.5
203.17946	9.7
205.15820	5.5
209.13199	3.9
211.14713	6.2
213.13089	2.5
213.16377	59.8
214.17021	4.0
215.17937	13.1
217.15944	5.0
223.14738	3.8
225.16310	6.3
227.17841	10.2
229.15976	2.7
229.19440	4.4
237.16400	5.9
239.17970	6.2
241.19542	21.6
243.20988	8.3
253.19360	6.5
255.21017	11.3
259.08398	2.4
267.09073	5.3
267.21082	25.7
269.10379	3.2
269.19141	2.4
269.22577	8.0
281.22647	5.5
283.20462	6.5
284.12708	3.0
285.10135	3.5
293.22357	2.4
301.29205	3.4
319.24109	4.2
329.91971	2.6
361.24893	3.1
364.09192	2.3
379.01175	2.7
389.27679	3.0
389.32089	23.6
407.24316	3.2
407.33032	100.0
408.10834	4.1
408.33295	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	407.3308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.1
55.05513	9.5
57.07074	2.6
62.97012	1.3
63.16673	1.5
67.05508	16.1
69.03418	3.1
69.07069	11.4
69.70728	9.3
79.05496	13.9
81.07057	35.9
83.04986	5.9
83.08620	5.6
88.14276	1.3
91.05487	18.7
93.07053	33.3
95.04957	4.2
95.08607	54.5
97.10191	3.5
98.20757	3.2
99.08097	1.9
105.07034	48.6
105.07749	2.3
107.08598	48.6
109.06512	4.2
109.10161	33.1
111.08088	2.8
113.13258	1.6
117.07030	7.3
119.08584	57.4
121.06516	1.6
121.10139	35.0
123.08068	2.1
123.11710	18.5
125.09634	8.7
128.06259	3.0
129.07047	7.2
130.07791	3.3
131.08578	27.2
133.10135	35.5
135.11707	16.2
137.09631	2.0
137.13297	3.5
142.07785	1.9
143.08572	27.6
145.10118	53.4
147.11690	15.9
149.09595	1.6
149.13255	14.1
151.11194	4.4
155.08548	4.2
156.09392	3.0
157.10144	16.1
158.10925	4.6
159.10432	1.9
159.11708	23.2
161.13261	14.3
163.14806	14.2
165.84814	1.3
169.10178	5.3
170.10950	1.7
171.11711	14.1
172.12466	1.9
173.13257	32.7
175.14830	18.5
177.16377	11.0
183.11679	6.9
185.13283	12.4
187.14819	83.5
189.16391	19.6
191.14337	7.7
191.17934	1.9
193.15875	2.5
195.11711	2.6
197.13235	7.8
199.14812	16.9
200.15401	1.8
201.16371	22.7
203.17993	9.5
205.15962	5.3
207.17609	2.7
209.13200	2.5
211.14859	5.0
213.16374	30.5
214.17053	2.4
215.17982	26.5
217.15907	5.2
217.19514	2.3
223.14922	2.7
224.08781	1.7
225.16435	4.9
227.17940	9.5
229.15990	2.6
229.19568	3.5
231.17476	2.9
233.19083	2.9
237.16379	3.5
239.18015	4.7
241.19540	10.7
243.17581	1.8
243.21126	6.5
251.18011	3.0
253.19585	5.3
255.21123	9.2
257.18982	1.7
265.19437	2.9
267.21048	10.2
269.19101	3.2
269.22589	2.2
281.22711	3.6
283.20425	3.6
283.24509	1.5
293.22726	3.6
311.23672	7.2
319.24338	1.4
333.25772	2.2
337.25394	3.1
389.32031	20.2
407.33109	100.0
408.33325	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	406.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	2.5
56.05042	9.5
67.05508	3.1
69.03425	1.7
69.07074	2.5
69.66944	8.5
70.06580	2.3
71.04991	2.5
73.02935	1.8
76.42004	1.5
79.05492	10.0
81.03415	2.4
81.07059	8.7
81.87500	1.5
85.02919	3.7
86.60017	1.5
91.05469	7.8
93.07050	8.9
95.04951	2.5
95.08609	3.4
96.08154	9.7
98.21476	2.4
98.97646	1.8
105.07027	16.0
107.04961	100.0
107.08600	13.2
119.08567	2.8
121.06497	7.4
121.10146	11.4
122.05991	2.1
123.08086	1.9
124.11226	1.9
131.08527	8.9
133.06494	15.4
133.10114	15.5
135.08044	2.8
136.07571	2.1
138.12790	1.8
144.40121	1.7
145.06477	5.6
145.10175	2.6
147.08070	13.5
149.09637	2.2
157.06487	11.4
159.08089	10.7
163.11156	2.0
171.08031	9.8
173.09569	2.6
181.47815	1.8
185.09644	12.7
191.10719	3.4
199.11232	6.0
201.12646	3.8
209.11789	9.7
227.14322	94.5
228.14642	2.0
244.16995	57.6
265.36078	1.6
329.28857	1.9
385.06979	1.8
396.27075	1.7
406.17401	6.6
406.22278	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	407.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.5
55.05510	10.2
56.96562	4.0
57.07072	4.4
61.02917	1.6
65.03945	2.0
67.05505	23.6
69.03423	4.6
69.07063	16.5
69.25739	16.8
70.82204	1.4
71.04992	2.0
77.03964	1.5
79.05495	19.1
81.03416	3.2
81.06576	2.5
81.07059	50.2
83.04971	7.2
83.08626	6.6
85.02905	1.6
85.73830	1.6
91.05489	25.8
93.07046	44.2
95.04960	4.8
95.08607	70.5
97.06544	2.7
97.10185	2.5
98.20785	3.8
105.07034	61.3
107.04972	1.4
107.08598	62.7
109.06521	6.4
109.10162	41.5
111.08064	2.1
112.86840	1.4
115.05447	3.9
116.06283	1.6
117.07045	14.2
119.08587	70.7
121.06535	1.8
121.10146	51.5
122.10526	1.5
123.08105	3.8
123.11717	19.7
125.09667	4.5
128.06248	3.3
129.06972	7.9
130.07794	3.3
131.08568	36.7
133.06616	1.8
133.10138	46.2
135.08095	2.5
135.11711	19.4
137.09627	4.2
137.13257	4.1
141.06998	3.0
142.07780	4.4
143.08554	32.8
144.09340	3.3
145.10126	63.0
145.13834	1.6
147.08098	3.5
147.11694	26.7
149.09650	2.7
149.13269	23.7
151.07475	1.8
151.11218	5.4
155.08513	7.3
156.09375	5.5
157.10120	22.9
157.11307	2.4
158.10898	5.4
159.11696	40.5
161.09654	2.9
161.13277	16.4
163.11180	4.5
163.14804	18.7
165.06975	1.8
165.09137	1.7
169.10132	10.0
170.10904	2.1
171.11707	18.4
172.12366	3.2
172.67839	1.6
173.13264	36.3
175.11044	1.7
175.14825	23.2
177.00700	1.8
177.12895	2.2
177.16383	16.0
181.10143	4.5
183.11736	8.5
184.12575	2.5
185.13234	17.8
187.11215	2.7
187.14825	75.2
188.15199	2.1
189.16377	19.1
191.14354	7.2
191.18092	2.6
193.15813	2.0
195.11763	4.2
197.13287	8.1
199.14845	18.6
201.16365	34.4
203.14328	4.7
203.17989	11.8
205.15881	12.1
207.11717	1.9
207.17511	3.6
209.13245	2.9
211.14787	7.8
213.16383	29.3
214.17021	2.6
215.14377	2.8
215.17946	22.7
217.15845	2.8
217.19566	2.5
223.14885	5.6
225.16460	5.3
227.18031	7.6
229.15884	16.0
229.19644	5.5
231.17545	3.7
233.19061	3.5
237.16391	2.2
239.18024	3.5
241.19547	9.1
243.17404	3.4
243.21152	6.2
245.19028	3.4
249.04022	1.5
251.18011	2.8
253.19482	3.3
255.21140	9.0
257.18988	3.2
265.19522	3.3
267.09128	3.0
267.21210	9.1
269.19321	2.4
269.22736	4.9
281.22644	3.4
283.20743	1.7
283.24402	2.4
285.10089	1.9
293.22617	3.5
311.23694	10.3
333.25775	2.1
337.25482	3.9
379.33551	3.2
389.32074	14.1
407.25284	7.1
407.33163	100.0
408.33441	4.6
428.85016	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.6
55.05511	2.2
56.05037	15.2
57.03431	3.9
58.99596	9.0
67.05515	3.4
69.07056	2.6
69.45805	7.4
69.46216	2.9
73.01193	1.4
74.00644	2.2
76.02232	16.9
76.04050	1.9
79.05500	9.6
81.07058	24.4
84.04505	23.7
85.01144	1.9
85.02909	2.0
86.00648	3.3
86.99056	4.9
87.02695	3.6
91.05486	13.1
93.07056	6.3
95.04926	1.4
95.08614	4.9
96.08147	9.0
97.01143	1.4
97.06528	2.4
98.09705	17.6
99.08113	4.9
102.05549	2.9
102.13737	1.5
105.07041	12.7
107.04960	88.5
107.08620	6.6
110.09662	3.4
112.03970	2.0
113.04230	5.5
114.03725	1.3
115.05760	1.7
116.01682	16.4
119.08582	7.2
120.76238	1.5
121.06520	4.3
121.10134	5.3
122.06052	2.2
122.09691	2.0
124.11259	3.9
129.06859	1.4
130.05017	6.7
130.06842	2.5
131.08559	5.3
132.05666	2.1
132.62543	1.5
133.06511	15.3
133.10136	13.0
142.03291	1.7
144.01166	5.3
145.06451	5.4
147.08057	100.0
155.79846	1.5
156.08452	12.5
156.10216	10.4
157.06766	11.0
159.08064	9.9
162.02197	18.2
170.07224	2.0
171.08057	7.0
174.02342	1.4
174.09464	10.3
179.04820	7.6
182.56726	1.3
185.09634	10.4
189.03333	1.9
199.11224	4.5
201.12817	3.8
206.30087	1.5
209.11725	5.4
210.11343	2.0
214.86604	1.5
216.06955	6.2
226.14604	1.7
227.14323	80.3
228.14716	1.7
233.06113	1.5
244.15134	1.5
244.17004	52.9
259.11133	82.7
313.12372	2.6
331.13211	3.0
342.16891	1.5
345.14258	1.5
381.24332	1.6
406.17038	2.8
406.22266	52.7
407.22610	2.4
417.43167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2227
Annotation	Icacine
Peak:m/z	Relative Intensity
57.32922	0.4
69.03429	0.7
81.03419	0.5
85.02897	1.1
91.05485	6.4
95.37259	0.3
97.02908	0.3
98.09708	4.4
98.21483	1.1
107.04958	5.8
115.90739	0.3
117.06991	0.5
119.04938	0.3
119.08588	8.5
124.11249	0.6
127.03888	0.5
129.07005	0.5
131.04955	0.5
132.05719	2.9
145.06491	0.8
147.08054	100.0
148.08400	1.1
153.01851	1.8
167.07068	1.7
204.36713	0.3
209.08110	0.6
227.09152	1.4
244.09750	0.6
244.16974	8.3
289.59625	0.3
406.22256	51.4
407.22571	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05036	11.9
57.75248	2.1
63.86909	1.9
67.05495	3.2
69.03417	2.6
69.07088	2.0
69.96924	9.8
70.06573	3.5
77.01003	2.0
79.05482	8.6
81.07069	12.1
85.02897	4.3
91.05460	9.4
93.07032	12.5
95.04989	3.0
95.08596	5.2
96.08157	10.5
105.07033	16.7
107.04960	98.8
107.08582	12.7
121.06525	8.9
121.10143	12.9
123.08035	2.4
124.11197	4.2
131.08528	10.0
133.06500	17.5
133.10155	19.2
141.06970	2.6
145.06480	8.0
147.08041	13.0
149.09558	3.4
157.06482	10.1
159.08023	10.3
159.29666	2.3
163.11223	3.7
171.08064	7.4
177.60379	2.2
185.09644	11.7
191.10625	3.2
199.11177	5.3
206.18486	2.5
209.11765	13.4
227.14311	100.0
244.14725	3.6
244.17010	53.2
275.29379	2.1
285.02539	2.2
406.17392	9.2
406.22198	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01862	0.6
57.03422	0.8
66.28012	0.6
69.03427	4.4
70.06576	0.9
71.60867	0.9
79.01872	2.7
81.03419	9.0
85.02917	3.0
91.05479	4.8
97.02902	7.2
98.09693	2.2
99.04443	1.5
105.07027	0.6
107.01349	0.8
107.04969	5.4
109.02890	5.0
110.95589	0.5
119.08612	4.3
124.11232	2.0
125.02361	2.6
127.03910	8.4
132.05707	2.0
133.10101	0.7
138.05495	1.5
143.03387	3.4
145.04956	1.5
147.08049	50.2
153.01833	100.0
153.02811	4.2
154.02185	0.9
171.02892	13.3
181.26900	0.5
209.28009	0.5
227.14342	1.2
228.06590	1.6
244.05954	1.2
244.09697	17.0
244.16925	4.7
283.66370	0.7
297.06079	13.6
315.07111	10.4
394.02936	0.5
406.10895	1.5
406.15109	5.9
406.22253	25.2
407.09518	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.3
55.01862	2.4
55.05502	1.9
56.05032	8.6
57.03445	6.8
58.99310	1.4
58.99583	13.6
68.05017	1.7
69.07051	1.9
69.84885	6.1
70.06583	1.3
73.01130	2.3
74.00634	1.4
76.01825	1.5
76.02224	22.3
78.75323	1.0
79.05487	7.9
81.06631	2.0
81.07059	20.5
83.06072	3.0
84.04501	24.8
85.01114	2.9
85.02895	1.9
86.00644	5.3
86.99030	8.1
87.02681	5.4
88.02212	1.9
91.05456	5.4
93.07030	2.8
95.04951	1.2
95.08582	4.3
96.08125	2.9
97.01109	1.6
97.06480	1.3
98.09153	1.7
98.09698	15.5
99.08088	5.6
102.05524	5.4
105.07016	4.9
107.04955	15.8
107.08605	3.1
108.53139	1.0
109.02860	1.1
110.09667	3.1
111.02678	1.0
112.03979	2.6
113.04238	7.0
114.03742	0.9
115.05786	1.3
116.01680	25.1
119.08575	3.5
121.10127	2.8
122.09641	1.3
124.11230	1.5
127.05745	1.9
129.06616	3.4
130.05011	9.4
130.06837	4.2
130.08644	1.9
131.08563	8.6
133.06493	2.0
133.10141	2.2
139.05746	2.0
142.03151	1.6
144.01152	9.5
145.10103	2.1
147.08058	31.3
149.09625	2.3
156.08423	20.0
156.10199	10.2
157.06796	9.4
162.02203	24.5
167.06985	1.1
170.02701	1.2
174.09506	14.2
179.04854	11.7
189.03395	1.4
191.10657	2.7
209.11694	12.8
210.11345	2.2
216.06921	6.5
227.14333	15.6
233.05852	1.9
244.17166	6.9
245.05658	1.4
259.11115	100.0
260.09235	1.3
260.11682	2.5
279.99533	1.3
308.08911	1.2
313.12158	5.1
331.13330	5.9
406.16898	2.3
406.22156	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	405.3727
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
50.48576	1.1
55.05512	5.7
57.03434	1.5
57.07080	8.6
57.12453	1.0
58.06629	1.0
67.04853	1.1
67.05515	1.4
69.07070	11.6
69.34516	10.2
71.08624	6.2
77.11076	1.2
78.21066	0.9
79.05490	1.8
79.67647	1.0
81.07049	4.5
82.67912	0.9
83.01353	7.9
83.04966	2.3
83.08631	7.0
85.10179	2.0
93.07053	3.4
95.04955	1.5
95.08598	3.5
97.06526	4.7
97.10169	3.7
101.21327	1.1
107.08578	4.8
109.06525	2.3
109.10194	1.6
109.93221	1.0
111.08068	3.8
111.11750	1.8
112.99480	0.9
119.08560	1.2
121.06496	2.6
121.10165	3.1
123.08066	3.6
123.11681	1.1
125.06039	5.8
125.09600	5.6
127.07563	3.6
133.10162	1.4
135.11696	1.3
137.09596	3.0
139.07542	40.8
139.11154	3.0
151.11221	3.3
153.09094	3.9
153.12730	1.5
159.11768	1.6
163.11151	1.5
167.10716	7.3
173.13303	1.3
179.14671	1.0
181.12259	9.7
195.13799	6.1
209.15396	3.7
223.17038	2.3
237.18532	2.9
251.20103	1.0
265.21774	1.7
279.23251	1.6
387.36288	1.5
405.37299	100.0
406.37637	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3727
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05519	5.4
57.07081	10.9
66.06297	0.6
67.05499	2.7
67.23618	0.6
69.03440	1.1
69.07074	11.9
69.40023	0.7
69.94212	2.8
71.08636	7.3
77.88641	0.6
79.05499	2.0
79.48875	0.7
81.07069	3.4
83.01346	10.8
83.04993	1.1
83.08617	8.7
85.10193	2.3
91.05492	0.9
93.07076	3.2
95.08606	4.2
97.06546	4.3
97.10175	5.3
105.07035	1.6
107.08610	3.5
109.06528	1.1
109.10181	1.5
111.08075	4.6
111.11694	1.9
121.06527	1.2
121.10125	2.0
123.08079	2.5
123.11688	0.8
125.06010	6.1
125.09626	4.8
127.07579	3.2
133.10170	0.8
135.11699	1.9
137.09628	2.4
139.07550	24.5
139.11180	4.4
145.10106	1.3
147.11714	0.8
149.13258	0.9
151.11176	4.9
151.14850	0.8
153.09125	6.4
153.12778	2.4
159.11743	1.2
165.12852	1.7
167.10677	6.5
167.14365	1.4
177.12787	0.8
181.12245	9.4
191.14380	1.2
195.13812	9.0
205.15742	0.8
209.15381	5.5
223.16989	2.7
237.18597	2.2
251.20113	2.2
265.21698	3.2
279.23227	2.1
293.24875	1.5
307.26413	1.0
335.29489	1.6
349.30960	2.0
363.32956	0.6
374.04141	0.6
387.36514	2.0
405.37323	100.0
406.37643	3.3
408.39178	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.3728
Annotation	5alpha-Cholestan-5alpha,6beta-diol
Peak:m/z	Relative Intensity
55.05508	6.3
57.07080	12.1
67.05502	2.7
69.07071	11.9
71.08624	10.4
71.61283	2.1
72.03029	1.5
79.05496	1.9
80.02306	1.6
81.07066	4.0
83.01353	7.7
83.08614	9.9
84.86950	1.5
85.10172	4.1
93.07046	6.8
95.08614	5.3
97.06519	4.9
97.10178	3.9
107.08605	4.7
109.06535	2.4
109.10160	5.0
111.08086	4.3
119.08582	2.6
121.06506	1.7
121.10150	4.0
125.06017	5.3
125.09645	3.9
139.07553	25.5
139.11198	4.6
151.11169	3.7
151.75465	1.5
153.09099	3.2
153.12791	2.2
167.10704	7.4
173.13254	1.9
181.12250	9.6
195.13797	10.0
195.25548	1.7
209.15367	6.7
223.16975	5.2
251.20197	3.5
265.21710	2.1
269.42120	1.5
279.23306	2.1
292.66257	1.7
293.24777	3.0
311.29858	1.9
405.37335	100.0
406.37674	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	405.3153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.05516	6.7
56.96566	0.6
57.07085	1.4
63.45534	0.5
65.03933	0.7
67.05512	9.2
69.03426	1.1
69.07074	6.3
69.23692	4.8
69.95745	0.6
71.04984	0.9
79.05498	8.0
81.03439	0.5
81.07061	19.6
83.04982	8.6
83.08626	5.3
91.05479	11.4
93.06168	0.6
93.07051	16.9
95.04958	2.2
95.08610	25.4
97.02869	0.6
97.06564	1.1
97.10153	1.7
103.05505	0.7
105.07036	22.8
107.08598	23.2
108.54737	0.5
109.06539	3.1
109.10160	14.5
111.08079	2.4
115.05450	1.4
117.07020	5.1
119.08586	36.1
120.08942	0.7
121.06487	1.2
121.10148	16.2
123.08105	2.7
123.11725	5.4
125.09618	1.7
128.06244	2.5
129.07016	6.4
130.07799	1.7
131.08572	16.7
133.10127	13.2
135.08064	1.9
135.11697	6.3
137.09630	1.7
137.13277	1.1
141.06970	2.2
142.07808	4.2
143.08569	15.8
144.09363	1.8
145.10132	52.6
147.08041	1.7
147.11708	9.2
149.09612	1.5
149.13281	4.2
151.11200	1.5
154.07777	0.6
155.08566	7.6
156.09360	3.6
157.10138	20.3
158.10867	2.4
159.08125	1.5
159.11691	15.3
161.09679	2.8
161.13263	5.9
163.11200	1.3
163.14844	6.0
165.07074	0.6
165.12810	0.8
167.08598	1.3
168.09358	1.6
169.10144	9.5
170.10954	3.2
171.11703	14.2
172.12456	2.3
173.09633	1.5
173.13281	12.2
175.11191	1.6
175.14835	7.9
177.12737	0.6
177.16373	4.1
179.08498	1.3
180.09337	0.8
181.10132	3.1
182.10928	2.4
183.11707	11.7
184.12427	0.7
185.09579	0.6
185.13272	13.8
187.11337	1.5
187.14827	61.2
188.15338	0.6
189.12788	1.1
189.16370	4.7
191.14381	1.0
193.10127	2.1
193.15907	1.0
194.10898	1.5
195.11696	7.2
196.12428	1.1
197.13277	10.0
198.14104	0.9
199.14832	12.3
201.12714	0.6
201.16396	14.5
203.14340	1.8
203.17996	2.2
205.10123	0.7
205.15817	3.5
207.11693	3.1
208.12437	1.1
209.13260	6.6
210.13911	1.1
211.14825	6.5
213.16383	12.2
215.14339	1.8
215.17967	2.5
217.15964	1.5
219.11621	1.4
220.12495	1.1
221.13278	2.5
223.14883	5.5
224.15714	0.8
225.16412	6.1
227.14423	0.9
227.17932	4.4
229.15982	2.7
229.19510	1.6
231.17392	3.4
233.13297	1.4
234.14110	0.7
235.14850	2.2
237.16388	3.5
239.17982	6.4
241.15926	2.3
241.19493	4.6
243.17493	1.0
247.14706	1.4
249.16454	1.7
251.18010	4.0
253.19548	9.3
254.20215	1.0
255.17380	1.2
255.21059	1.2
257.18906	0.9
261.16479	1.7
263.17978	2.4
265.19583	3.9
267.18030	0.9
267.21057	7.5
269.22574	1.1
275.18015	1.4
277.16885	0.6
277.19397	2.7
279.21066	2.2
281.19052	1.5
281.22681	1.6
283.20557	0.9
287.17960	0.7
289.19476	1.1
291.21179	3.0
293.19370	0.7
293.22729	1.5
295.20718	1.0
295.24020	0.6
297.22089	0.7
303.21045	1.6
305.22614	1.5
307.24161	0.8
309.22174	9.4
309.25500	0.9
311.23544	0.7
317.22577	3.4
318.22870	0.7
319.24219	1.5
321.22235	1.2
321.25781	1.2
323.23727	1.2
323.27274	0.7
331.24203	2.9
335.23660	4.6
345.25848	1.2
347.27310	1.6
349.25342	2.4
363.26852	2.3
367.18027	0.6
377.32184	1.8
387.30435	12.0
405.31549	100.0
406.31653	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	405.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.2
55.05510	4.5
56.96549	0.9
57.07070	1.5
67.05504	8.2
69.03418	0.8
69.07070	8.0
70.19901	2.2
71.05006	0.9
75.38682	0.7
78.36686	0.7
79.05498	6.4
81.06575	0.7
81.07056	17.2
83.04978	1.5
83.08609	2.7
91.05488	9.4
93.07048	14.6
95.04966	1.9
95.08606	19.3
95.20525	0.6
97.06496	0.7
97.10181	1.5
105.07030	29.9
106.85036	0.7
107.08599	18.5
109.06541	1.8
109.10155	9.8
111.08057	1.5
115.05452	1.2
117.07019	4.6
119.07774	1.3
119.08587	23.3
121.06500	2.4
121.10137	12.9
123.08044	2.0
123.11768	3.2
128.06235	2.3
129.06990	3.9
130.07774	2.1
131.08563	21.1
133.10121	12.6
135.08072	1.4
135.11682	4.3
137.13255	1.0
139.11147	0.8
141.06989	2.8
142.07773	4.8
143.08563	15.7
144.09367	1.8
145.10130	34.5
147.08150	0.8
147.11685	8.6
149.09618	2.6
149.13249	7.9
154.07751	0.9
155.08565	5.5
156.09360	3.1
157.10139	20.9
158.10860	1.4
159.11696	19.2
161.09712	1.1
161.13255	4.9
163.11139	1.7
163.14822	5.6
165.12752	1.2
167.08586	2.1
168.09332	1.3
169.10150	10.2
170.10896	3.1
171.11707	12.4
172.12471	2.2
173.09679	1.2
173.12195	0.4
173.13278	13.9
175.11172	2.3
175.14845	14.4
177.12761	1.9
177.16385	9.6
179.08543	1.8
179.14296	0.7
181.10127	4.3
182.10899	2.5
183.11699	10.8
184.12375	1.2
185.09650	0.7
185.13257	13.5
187.11201	1.9
187.14824	49.6
189.12839	1.9
189.16338	4.2
191.14340	1.8
193.10123	1.9
193.15886	0.8
195.11665	4.5
196.12511	0.8
197.13248	9.2
199.14851	9.1
201.12747	1.4
201.16394	10.7
203.14336	0.7
203.17981	3.0
205.15886	3.4
207.11710	2.8
208.12447	1.2
209.13242	7.3
211.14873	7.7
213.12953	1.1
213.16379	15.9
215.14337	7.2
215.17966	2.7
217.15910	1.1
219.11693	1.6
219.17442	1.0
220.12416	1.6
221.13354	3.2
222.13899	0.9
223.14792	4.4
225.16411	4.0
227.14349	1.4
227.17932	3.9
229.15892	4.5
229.19502	1.5
231.17444	9.9
233.13306	1.6
235.14862	2.7
237.16310	4.2
239.17934	3.9
241.15874	1.3
241.19466	3.7
243.17477	1.2
246.14105	0.9
247.14885	1.9
248.15733	0.9
249.16350	3.1
251.17941	2.7
253.15791	0.8
253.19543	2.2
255.17340	1.8
255.21146	1.0
257.18988	2.1
261.16379	1.9
263.18039	2.5
265.13083	0.7
265.19489	2.4
267.17352	0.9
267.21115	2.1
269.19040	0.8
275.18030	2.3
277.19492	2.1
279.21136	1.3
281.19086	1.2
285.10095	1.1
289.19467	1.6
291.21057	1.4
293.22424	1.3
303.21286	1.5
305.22769	1.8
307.24219	2.3
309.22232	2.6
317.22647	2.8
319.24170	1.3
321.25769	2.0
331.24203	2.2
333.25778	2.1
335.23596	1.4
345.25943	1.3
347.27405	3.7
349.25253	1.1
359.27353	1.6
375.30579	0.9
377.32172	0.8
387.30463	13.4
405.31543	100.0
406.31897	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	405.3152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.4
55.05513	7.6
56.96564	1.0
57.07065	3.1
66.02226	0.9
67.05506	10.5
69.03422	2.9
69.07072	6.5
69.57227	1.8
69.57630	4.4
79.05496	9.5
81.07056	22.6
83.05000	6.6
83.08177	0.9
83.08592	4.4
85.02920	1.1
91.05471	14.0
93.07050	21.9
95.04965	2.6
95.08608	28.0
97.10187	1.6
99.08121	1.3
100.22707	0.8
103.05457	1.3
105.07031	31.2
107.08596	27.6
109.06503	2.6
109.10157	16.7
111.08062	3.6
115.05487	1.9
117.06996	5.4
119.08588	34.3
121.06525	2.4
121.10147	22.6
123.08084	2.4
123.11695	8.6
125.09618	5.5
128.06230	3.3
129.06998	7.4
130.07787	1.2
131.08574	22.2
133.10133	22.6
135.11714	10.3
137.09641	3.3
137.13257	2.0
141.07001	3.6
142.07788	4.3
143.08572	21.0
144.09329	2.7
145.10132	37.6
145.11281	1.8
146.10507	1.2
147.11681	12.6
149.09601	1.5
149.13260	6.1
151.11205	3.1
153.06970	1.0
154.07912	0.9
155.08548	7.2
156.09323	6.9
157.10130	18.4
158.10919	2.8
159.08189	1.1
159.11684	19.3
161.09720	1.1
161.13266	9.4
162.82361	0.7
163.11156	1.9
163.14842	4.9
167.08615	2.1
168.09265	2.1
169.10121	10.6
170.10915	4.9
171.11700	23.4
172.12396	1.1
173.13272	22.4
175.14841	8.9
177.16414	4.3
179.08565	1.1
181.10097	3.6
182.10938	2.1
183.11697	15.0
185.09698	1.5
185.13260	34.9
187.14835	41.6
188.15120	0.9
189.16405	6.4
191.14333	3.0
193.10114	1.6
193.15947	1.2
195.11751	4.8
196.12503	1.9
197.13280	12.7
198.13939	1.2
199.14821	18.2
201.12781	1.3
201.16399	13.5
203.14330	2.2
203.17975	1.6
205.15883	7.8
206.10915	1.4
207.11729	1.6
209.13202	4.6
210.13950	1.1
211.14830	17.5
211.16718	1.5
212.15581	3.2
213.16379	19.8
215.14507	1.3
215.18027	5.4
217.15935	1.6
221.13295	2.0
222.14087	1.0
223.14830	3.5
225.16373	6.8
227.17957	6.6
229.15924	1.9
231.17467	2.4
235.14824	2.5
237.16342	5.4
239.17984	8.1
241.19519	5.5
243.17453	1.5
245.19055	1.3
247.14819	1.0
249.16376	2.7
251.18037	4.8
253.19499	6.9
255.21144	1.2
256.26477	1.2
263.17865	1.5
265.19608	5.1
267.21036	6.3
277.19479	2.3
279.21103	3.0
281.22684	2.6
283.20682	1.3
285.10156	1.6
291.21170	1.9
293.22675	2.3
295.20554	1.1
300.28989	2.6
305.22733	1.1
309.22055	2.5
317.22650	2.3
321.25958	1.1
323.09045	1.0
335.23633	1.6
344.31747	1.7
349.25320	1.2
363.26950	1.0
377.32123	2.4
387.30511	11.9
405.31540	100.0
406.31094	2.2
406.36163	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	405.3154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.05509	6.3
57.07055	1.3
65.03923	1.7
67.05503	8.9
69.03419	2.3
69.07076	9.0
71.61077	0.7
74.64948	0.7
77.78741	0.7
79.05482	7.8
81.06571	1.0
81.07057	17.2
83.04986	6.5
83.08611	4.7
91.05479	12.0
93.07049	16.0
94.07823	0.8
95.04962	2.8
95.08604	23.7
97.10172	1.7
98.20705	1.7
101.49690	0.7
103.05477	1.5
105.07032	24.3
106.04182	1.0
107.04952	1.0
107.07844	1.3
107.08592	27.1
109.06502	3.6
109.10154	14.1
111.08071	1.3
115.05424	1.9
116.06269	0.7
117.07021	4.9
118.72845	0.8
119.04950	1.4
119.08582	34.6
121.06510	2.4
121.10150	17.5
123.08103	3.5
123.11713	5.2
125.09602	0.9
128.06210	2.3
129.07005	6.2
130.07764	1.9
131.04904	1.6
131.08566	17.2
133.06477	1.0
133.10123	14.2
135.08032	2.6
135.11691	5.6
137.05977	5.5
137.09622	2.7
137.13293	1.0
141.06973	2.3
142.07796	3.4
143.08571	13.9
144.09346	1.0
145.10127	40.4
147.04395	2.9
147.08075	1.5
147.11697	9.2
149.05978	2.1
149.09608	1.5
149.13287	6.0
151.00696	0.7
151.07520	1.6
151.11119	1.1
154.07837	1.4
155.08557	6.4
156.09319	4.5
157.10130	17.3
158.10854	1.3
159.08102	1.0
159.11690	11.7
161.06007	1.3
161.09625	3.7
161.13242	5.3
163.11214	0.9
163.14848	5.1
165.05524	1.0
165.12756	1.4
167.07022	2.6
167.08470	1.8
168.09386	1.1
169.10146	11.0
170.10893	2.6
171.11690	13.0
172.12393	2.3
173.06009	0.8
173.09639	1.2
173.13274	10.8
175.11162	1.6
175.14851	8.0
177.12785	1.0
177.16330	3.8
179.07071	1.5
179.08612	0.8
181.04976	2.1
181.08675	1.0
181.10143	2.6
182.10916	1.8
183.11729	10.1
184.12532	1.4
185.09608	1.0
185.13249	11.5
187.14818	49.0
188.15128	1.0
189.12811	2.0
189.16426	5.6
191.14240	0.9
193.08591	1.5
193.10095	1.7
194.10997	1.2
195.11722	4.5
197.13246	9.5
199.14810	11.7
201.12698	1.6
201.16402	12.6
203.14305	1.3
203.18018	2.3
205.15800	3.6
207.11702	2.1
209.13235	5.7
210.14064	1.6
211.11053	1.1
211.14798	5.9
212.15524	0.8
213.16383	13.4
215.14304	2.0
215.18011	2.2
217.15929	1.1
219.11818	1.2
221.13199	2.4
223.14856	5.4
225.16423	7.2
227.14297	0.9
227.17929	4.8
229.15862	2.6
229.19450	1.7
231.17484	3.2
233.13348	1.1
235.14833	1.8
236.15395	1.1
237.16385	3.6
239.17947	6.9
241.15894	1.8
241.19516	6.2
243.17583	1.6
243.21046	1.2
247.14900	1.3
249.16397	1.5
251.17961	4.3
253.16139	0.7
253.16682	0.9
253.19499	10.3
254.20203	0.9
255.17476	1.5
255.21190	1.1
257.19031	1.6
261.16516	1.9
263.18018	2.6
265.19427	3.7
267.17551	1.2
267.21069	8.3
275.17969	1.6
277.19547	2.4
279.21130	2.5
281.19177	1.2
281.22607	2.0
291.21045	2.3
293.22549	1.1
295.20850	1.0
303.20978	1.1
307.24399	0.9
309.22162	5.6
317.22681	2.3
321.25723	1.0
331.24274	2.8
335.23779	4.3
345.12997	0.9
345.25943	1.6
347.27365	1.5
349.25253	3.3
363.26749	1.0
377.32007	2.0
387.06946	0.8
387.30389	9.1
405.31519	100.0
406.31848	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.0
56.13011	4.2
56.86194	4.6
56.96572	6.1
65.03940	4.7
67.05512	25.3
67.40710	4.2
69.03442	10.0
69.07071	42.4
69.27747	16.8
69.28164	24.6
71.04992	5.2
79.05492	17.8
81.03406	10.4
81.07058	34.7
83.04979	10.5
83.08623	7.0
85.02912	10.8
91.05470	32.1
93.07053	29.4
95.04984	7.9
95.08614	38.3
97.02905	7.2
97.06531	8.6
97.83686	3.6
103.05468	8.4
105.07031	49.5
107.04948	7.6
107.08601	29.3
109.02896	6.9
109.06529	5.8
109.10136	25.9
111.08100	5.8
117.06988	11.0
119.04948	12.0
119.08575	43.0
121.06535	12.9
121.10129	25.4
123.08070	5.3
123.11705	9.0
124.05264	4.9
125.09600	4.8
127.03934	9.7
129.07021	13.2
129.12798	5.1
131.04944	10.9
131.08601	30.5
133.10124	31.5
135.08107	4.3
135.11705	13.2
137.05992	31.8
141.07001	8.1
142.07762	7.5
143.08607	23.7
145.06476	4.1
145.10126	66.3
147.04387	14.8
147.08084	4.5
147.11650	9.6
149.06012	10.1
149.13257	10.6
149.88046	3.9
151.29471	3.8
153.05522	5.2
155.08556	11.1
156.09299	7.9
157.10124	32.7
158.10988	4.7
159.11658	24.6
161.05969	4.6
161.09625	9.6
161.13231	9.7
163.14749	4.5
167.07059	17.0
168.82787	4.1
169.10104	13.4
171.11729	15.9
173.09683	5.5
173.13243	21.9
175.14833	8.2
177.05573	5.7
179.07103	9.5
179.08510	5.5
181.04974	11.8
181.10066	5.9
182.10880	7.1
183.11726	14.6
185.13277	17.7
187.14833	55.5
189.16364	6.7
191.07091	5.3
193.08621	8.9
195.11635	8.0
197.13258	12.0
199.14815	25.2
201.16425	18.4
209.08087	5.4
209.13315	8.0
211.14841	6.9
213.16374	20.7
221.13274	3.9
223.14906	7.1
225.16420	5.3
227.17937	5.8
239.17902	5.1
253.19586	10.9
263.17960	6.7
267.21021	9.5
309.22208	12.1
387.14038	5.8
387.30356	8.4
389.77948	4.7
405.23215	5.8
405.26987	6.2
405.31561	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1908
Annotation	Myristicanol B
Peak:m/z	Relative Intensity
53.03932	1.0
53.75314	0.4
53.88390	0.4
55.61092	0.5
66.04700	0.7
67.05525	0.7
69.03439	0.5
69.07040	0.5
69.43944	1.7
69.44372	2.0
71.05000	0.6
77.03925	0.6
78.04713	3.9
78.85350	0.4
79.05499	4.9
81.07047	0.9
85.02889	1.0
91.05486	2.9
93.07037	0.8
94.04174	0.5
95.04962	1.0
99.04475	0.4
103.05476	7.1
105.07028	7.1
105.07680	0.9
106.04219	2.3
107.04965	8.5
109.06511	1.0
115.05470	2.5
117.07024	1.3
119.05006	0.8
121.06529	2.4
121.10164	0.5
122.03648	0.6
123.04435	8.6
123.08058	1.4
124.05228	3.2
125.06025	0.7
127.03854	0.5
129.06995	1.0
131.04924	9.3
132.05661	0.7
133.06496	6.7
135.08049	1.7
137.05969	3.8
141.07024	1.1
145.06491	2.2
147.04439	1.7
147.08081	0.8
149.05963	0.6
149.59749	0.4
151.03897	1.5
151.07533	4.0
151.38239	0.5
152.04666	2.8
153.05470	1.2
158.07240	0.9
159.07953	1.0
160.05132	0.8
161.05984	8.0
163.07550	15.5
165.09142	0.7
167.07042	100.0
168.07401	0.6
168.53513	0.5
171.07909	0.5
173.05977	1.5
173.09682	0.7
175.07530	1.7
177.09100	2.0
179.06970	1.7
181.04977	1.1
181.08572	3.9
187.07533	2.7
189.09087	0.7
193.08612	18.8
194.08958	0.5
195.10228	0.8
201.09131	1.0
205.08621	1.7
207.10175	0.9
217.08519	0.6
219.08083	0.7
219.10226	1.5
225.14775	0.6
233.11710	1.1
237.08699	0.5
237.11172	1.2
251.06860	0.6
263.10629	1.2
287.50839	0.5
295.13278	0.9
323.12817	1.7
327.09769	0.5
337.14142	0.5
344.45627	0.5
355.15411	4.1
373.10144	0.6
387.18250	0.9
414.43039	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01864	2.8
55.05510	4.3
57.01897	1.2
57.07050	1.5
57.08760	1.0
65.03940	8.4
67.05502	9.8
69.03419	4.7
69.07063	2.8
70.85310	1.8
70.85632	2.0
78.04733	1.9
79.05493	15.4
81.03409	3.9
81.07054	14.1
82.04204	2.1
83.04979	3.7
83.08620	2.8
85.02905	7.2
91.05474	12.7
93.03410	2.5
93.07050	9.4
94.04192	2.8
95.04965	5.2
95.08614	14.5
97.02924	1.7
97.06529	2.6
98.97603	1.4
103.05479	3.7
105.04575	1.4
105.07040	18.5
106.04192	1.5
107.04970	18.7
107.08590	12.7
108.02089	1.7
109.06499	3.7
109.10162	8.9
110.03674	4.3
111.04413	2.5
111.08109	1.5
115.05499	7.4
117.07011	6.2
119.04972	2.0
119.08588	17.8
121.06503	3.9
121.10149	10.9
122.03652	5.0
122.06008	1.2
123.00830	1.3
123.04417	4.8
123.08092	3.0
123.11702	4.0
124.05219	3.7
125.06003	4.4
125.09551	1.4
127.03926	2.3
128.06242	4.3
129.07005	12.6
130.07759	1.8
131.04892	6.1
131.08566	18.6
133.02864	1.7
133.06494	4.6
133.10124	10.8
135.04405	2.9
135.08051	3.1
135.11681	2.8
137.05975	41.0
138.03111	2.0
141.07005	1.9
142.02658	3.6
142.07764	2.8
142.08832	1.2
143.04909	4.6
143.08548	6.7
144.05737	2.3
145.06500	7.0
145.10126	25.8
147.04402	4.3
147.08090	2.2
147.11702	6.2
149.05969	3.4
149.13277	3.8
151.03909	16.6
151.05032	2.0
151.07539	2.4
151.11201	1.5
152.04718	2.2
153.05447	3.3
153.06978	1.3
155.07198	1.3
155.08578	3.0
156.09270	2.1
157.06493	10.3
157.10109	11.2
158.11023	1.4
159.08075	3.4
159.11707	9.3
160.05263	2.8
161.05966	7.6
161.09598	1.8
161.13261	5.0
163.03926	2.8
163.07568	4.0
163.14833	3.7
165.05490	2.5
167.07051	66.5
168.07332	1.4
169.10051	5.6
170.10921	3.7
171.04388	5.4
171.06569	3.9
171.11678	8.2
172.05247	7.9
173.05986	4.3
173.13255	10.3
174.06752	3.3
175.07559	5.7
175.14813	4.6
177.05522	1.8
177.09189	1.5
177.16425	3.8
179.07047	3.5
179.08531	1.2
181.04965	100.0
181.10136	2.3
183.06435	1.6
183.11633	6.6
184.03595	1.3
185.13257	25.2
187.07529	5.4
187.14824	33.5
187.16418	2.4
188.04665	1.5
189.05457	3.4
189.09102	8.8
189.16408	4.4
191.06981	5.9
191.08577	1.2
192.07765	1.6
193.04927	1.3
193.08588	6.5
195.06548	4.0
195.11688	1.5
197.13210	5.5
199.14818	10.2
200.04739	3.3
201.05585	1.5
201.12828	3.1
201.16359	11.3
203.07039	10.9
203.14464	1.2
203.17999	1.7
204.07889	1.2
205.08575	5.4
205.15860	3.0
206.05780	2.6
209.05956	2.7
209.13269	1.9
211.14836	5.6
213.16405	6.5
215.06950	1.4
215.17963	2.1
218.05756	5.1
219.08244	1.3
221.08038	8.4
223.14903	2.5
225.16348	2.9
227.17911	2.4
229.15991	1.6
231.17467	2.4
233.05774	2.6
233.08092	42.6
233.10355	2.2
234.06662	1.5
235.14790	1.6
237.16422	1.7
239.17935	3.0
240.18927	1.3
245.08136	2.0
247.07582	1.9
249.09140	2.7
249.16411	1.6
250.06264	1.7
251.07034	1.4
251.09319	2.1
251.18022	2.4
253.19472	1.6
263.09143	7.5
263.18185	1.4
264.07721	1.7
265.08719	1.6
265.19412	2.0
267.21198	1.7
271.06027	3.7
272.06512	3.0
273.06613	7.0
276.07901	1.8
277.08716	2.7
287.05283	1.2
290.50885	1.4
291.10208	1.3
297.11224	2.1
305.07986	1.4
307.09686	1.4
309.11182	3.4
325.10712	3.5
337.10687	3.9
339.12369	1.5
341.10104	1.3
341.14032	3.8
342.10773	2.1
351.12271	3.6
354.11032	1.2
357.13461	10.8
369.13507	6.0
387.14447	25.6
387.30563	5.2
405.19672	6.9
405.31552	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	405.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	2.7
58.68027	1.0
58.81939	1.0
67.05502	2.0
69.93074	5.2
70.06612	1.1
85.02903	2.1
91.05482	2.2
93.07063	1.2
95.04990	1.4
95.08603	2.0
98.97584	1.3
116.98682	1.8
121.10101	1.8
127.03944	1.4
131.08498	1.2
133.10175	1.3
137.05937	2.6
147.04446	1.3
149.02109	1.5
167.07076	3.2
172.07581	1.2
177.05489	1.3
181.05008	4.1
183.09180	2.5
185.10796	1.4
189.10287	2.6
197.07126	6.4
197.10744	1.5
198.09268	2.2
199.08757	1.8
205.08540	1.4
211.08693	13.6
213.10234	4.0
216.10344	1.4
225.06583	11.7
225.10176	9.8
227.08325	2.5
227.11794	2.4
228.10236	2.1
233.08125	1.9
235.08678	1.8
239.04570	2.3
239.05690	1.8
239.08153	27.7
240.08844	1.8
243.07613	2.4
245.12863	34.9
245.15437	1.8
253.06018	2.7
253.09743	21.9
254.10353	1.5
255.07619	2.0
255.11382	3.6
257.09250	10.1
259.10931	1.5
267.07651	14.0
271.10721	14.2
273.12726	1.4
279.04797	3.1
281.09235	22.1
283.10828	4.2
285.08707	5.4
289.11850	8.4
293.09201	1.8
295.06924	1.3
297.08517	1.1
299.06833	2.4
299.10272	35.7
301.11865	2.9
309.08737	33.7
311.10242	4.7
317.11166	2.7
327.09760	57.0
329.11310	4.9
337.08350	3.1
345.10849	100.0
346.11438	2.3
355.09171	8.1
373.10333	59.3
374.10806	1.9
387.11914	5.2
405.07898	23.5
405.12979	23.4
405.23660	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	9.1
56.33637	8.6
57.03448	10.2
67.05509	9.6
69.03427	23.3
70.04872	33.3
71.04989	12.0
79.05489	19.6
81.03397	14.9
81.07061	38.2
85.02924	44.8
91.05477	28.8
93.07058	40.8
95.01311	11.2
95.04966	8.3
95.08633	15.9
96.95202	8.4
97.02899	18.4
99.04464	48.0
105.07043	67.7
107.04945	15.6
107.08602	23.7
109.06523	23.4
111.08098	23.2
112.03988	23.1
119.08561	43.9
122.87465	7.7
123.08038	14.5
123.11639	12.7
127.03946	9.4
130.03981	10.4
131.04865	9.7
133.06479	15.4
133.10143	91.2
137.05983	12.8
137.09666	21.8
143.08600	9.4
145.10188	12.7
147.11688	20.7
161.09630	74.3
161.13255	25.0
163.11220	28.0
165.12747	71.4
167.07054	14.5
179.10678	34.2
181.05003	15.7
189.09122	48.9
189.12766	27.8
198.09285	10.6
207.10191	24.2
207.13844	68.8
218.08113	75.3
225.11223	100.0
225.14751	10.6
228.10213	93.8
235.53189	9.9
242.08162	18.3
244.09738	60.6
328.90778	10.1
335.94131	9.0
386.11905	13.3
404.13431	58.6
404.23416	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	405.1296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.9
56.98039	1.4
57.03406	1.6
58.25412	1.4
61.66243	1.5
67.05504	2.6
68.32620	1.3
69.03423	3.1
69.49196	7.5
69.49616	4.1
70.06593	2.1
71.04987	1.6
71.89944	1.4
71.99424	1.3
74.08276	1.4
76.87231	1.3
79.05501	2.5
81.03420	1.9
81.07052	1.7
85.02908	1.8
91.05474	3.3
93.07024	1.7
95.04958	2.4
95.08606	2.6
97.02908	2.6
98.97591	2.0
105.07022	1.8
107.04969	1.9
111.70415	1.3
119.08537	1.6
125.06058	1.4
127.03898	2.2
137.05965	3.7
151.03903	1.9
153.01839	1.9
153.05461	2.8
161.05975	1.7
167.07069	5.2
170.09604	1.6
181.04967	8.1
183.09207	2.0
189.10277	2.6
197.07161	6.9
198.07710	1.6
198.09315	2.6
199.08627	2.0
205.08678	3.7
211.08694	15.9
213.10240	2.9
225.06697	11.0
225.10136	9.4
226.08951	2.0
226.11295	1.7
227.08195	3.3
227.11864	3.2
229.09973	2.4
233.08192	3.6
235.08633	2.8
239.04472	2.2
239.08188	34.3
241.09717	1.7
243.07628	2.5
244.09991	1.8
245.12828	36.0
253.09731	22.8
255.07660	3.3
255.11411	4.4
257.09164	11.0
267.07666	17.4
271.10822	11.6
273.08673	1.9
275.10309	2.0
277.42676	1.6
281.09189	21.1
283.10770	3.6
285.08710	4.3
289.11859	7.8
293.09286	2.6
297.08551	2.2
299.10275	39.7
300.10431	1.9
301.12000	2.0
309.08688	37.3
311.10239	3.8
313.08215	2.6
317.11261	3.2
327.09772	54.7
328.09979	2.1
329.11200	6.4
337.08112	3.4
345.10815	100.0
346.10938	2.2
355.09128	8.7
358.23993	1.7
373.10284	65.1
387.11862	5.8
405.07867	12.0
405.12848	20.7
405.23422	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	404.2282
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	0.8
56.87081	0.6
61.02958	0.6
61.06146	0.5
67.05502	2.1
69.03425	1.1
71.05021	0.6
71.61101	0.7
75.93813	0.6
79.05508	0.7
81.03429	0.6
81.07058	0.6
83.04976	2.3
85.02933	3.4
86.09713	2.2
89.06046	1.3
91.05488	5.4
93.07057	1.6
95.04993	1.0
95.08619	4.4
97.02903	1.3
97.06530	2.3
99.08106	0.6
99.99519	0.6
105.07035	1.3
107.04961	0.8
107.08619	1.8
109.06518	2.2
111.04435	1.1
119.08596	2.2
121.06513	0.8
121.10146	6.1
123.08082	100.0
124.08440	1.2
125.09664	0.8
127.03937	0.8
133.10194	1.0
135.11752	1.0
136.07552	1.1
137.09581	0.6
145.10109	0.9
147.11658	2.5
149.09612	1.8
151.11186	0.7
153.01860	1.7
161.09659	0.8
161.13319	0.8
163.11234	1.8
165.09200	0.7
167.07047	1.5
167.10620	0.8
181.04944	0.7
181.12257	13.7
189.12746	1.0
207.13814	3.0
225.11227	1.2
225.14871	10.0
228.10257	0.7
251.10199	0.8
280.41400	0.5
309.08731	1.0
315.60727	0.5
327.09842	0.9
345.10968	1.2
373.10309	1.0
380.73859	0.7
404.13666	0.9
404.23538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13188	4.5
69.63213	9.5
69.63625	17.8
85.02905	12.4
93.07008	5.9
98.21513	4.6
105.07025	7.6
107.05001	5.1
109.06437	5.4
119.08589	10.7
121.57590	4.9
123.07993	6.3
123.11713	6.1
127.03896	9.0
127.52289	4.4
133.06535	6.8
138.09134	5.6
145.10094	8.2
147.08034	5.9
147.11668	20.6
154.08633	20.2
167.07033	5.5
176.76762	4.3
180.50734	4.6
189.12747	100.0
205.35161	4.6
207.13760	5.7
224.16463	7.3
242.17554	13.2
279.15817	4.7
379.23059	5.4
395.69989	5.2
404.16031	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	404.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13370	4.0
53.87681	4.2
55.05497	9.0
57.07058	6.8
61.02913	5.8
61.74720	4.0
65.64899	4.4
67.05494	16.6
69.03425	12.2
69.07064	7.0
69.51166	34.6
78.72958	4.1
81.07055	6.8
81.88070	4.8
83.04967	6.5
85.02911	28.1
85.06535	20.5
91.05475	7.9
93.07048	14.9
95.08604	78.1
97.02881	6.3
97.06525	7.4
98.68304	4.6
99.08094	6.8
103.98011	4.4
105.07034	21.1
107.08578	6.1
109.06519	10.8
113.06009	11.6
115.76650	5.3
119.08585	40.4
121.10107	15.8
123.08050	18.1
124.07639	8.8
125.05975	6.1
127.03911	100.0
127.07525	29.2
128.04259	43.1
131.08594	5.4
133.10115	5.3
135.08035	7.1
135.11655	8.1
137.05978	17.5
138.09119	7.3
139.11166	6.5
145.04938	8.1
147.11693	24.5
154.08630	13.5
161.13261	28.1
163.11189	9.2
164.58098	4.6
167.07089	7.0
179.14214	4.5
181.12227	23.2
189.12746	33.5
203.07123	4.1
207.13797	56.7
224.12819	5.0
242.08209	9.0
242.13834	37.8
405.17349	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	404.218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59341	1.8
51.24670	1.9
52.33113	2.2
52.45433	2.2
52.60001	2.0
55.05497	4.3
65.03944	3.1
67.04254	16.6
67.05497	4.3
69.03427	3.0
69.07074	14.9
70.06569	4.0
71.61034	2.2
80.05010	4.0
81.03400	3.3
82.06106	4.9
82.06584	100.0
84.08138	19.1
85.02910	2.3
86.09707	98.6
91.05461	5.1
93.07043	3.7
94.06526	2.4
95.04959	2.8
96.08102	3.4
97.02870	2.4
98.09694	2.3
100.07623	85.2
102.80518	2.4
107.04913	4.4
107.08556	3.6
108.25098	2.1
109.02868	2.7
110.06030	7.6
111.06827	3.6
112.07597	8.7
114.00858	2.4
114.05495	2.8
119.04962	4.4
120.08112	2.6
123.04416	6.7
124.11202	9.0
127.03928	28.4
129.06998	2.8
132.06403	2.3
136.07594	15.7
147.04395	3.6
150.12737	4.3
152.14337	2.7
157.06500	5.6
159.08133	3.1
162.05498	8.3
165.05478	6.9
171.53970	2.2
172.08879	16.0
173.09613	6.1
174.82730	2.2
178.12263	3.5
182.08104	8.4
185.09610	7.6
187.07513	3.4
188.17657	2.3
195.14931	27.2
200.10753	15.9
202.12230	4.1
211.07462	2.8
223.14510	11.5
229.08594	5.8
242.08051	8.5
242.15450	83.6
246.11276	44.8
263.13882	26.1
275.61447	2.4
295.16501	6.5
313.19098	6.2
359.19586	31.7
360.19766	2.7
376.22446	16.4
386.20731	3.8
387.19168	19.3
404.13828	3.1
404.14920	3.4
404.21570	61.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.5
61.05610	0.3
67.04227	0.8
69.07076	0.8
69.64175	2.1
70.06581	1.1
80.05046	0.4
82.06581	4.6
84.08141	0.9
85.02898	0.6
86.09705	4.8
91.05474	0.7
96.08115	0.6
97.02888	0.3
98.21463	0.6
98.97579	0.5
100.07622	3.7
107.04961	1.3
107.08573	0.4
110.06036	0.8
112.07606	0.3
119.04932	0.4
120.08109	1.1
121.06485	0.4
122.09678	0.5
124.11240	1.6
127.03908	0.6
131.04947	0.3
134.09673	0.9
135.10455	1.9
136.07631	0.7
137.78296	0.3
140.03499	0.4
145.06439	0.5
148.11192	0.5
154.12799	0.3
157.06490	0.6
162.05544	0.3
165.05479	0.4
172.08844	0.7
173.09657	0.4
175.60999	0.3
182.08122	0.6
184.11351	0.5
195.14919	1.0
197.09587	0.6
199.09882	0.4
200.10773	1.0
207.60896	0.3
212.10771	0.6
213.11362	0.4
214.08623	0.3
214.12238	0.5
223.14413	0.6
227.13000	0.5
232.71910	0.3
242.08170	1.8
242.15402	100.0
243.02869	0.3
243.15810	1.6
246.11354	1.7
263.13922	1.5
295.16589	0.5
359.19678	1.7
376.22238	1.0
387.19064	1.2
403.07532	0.3
404.20731	28.3
405.21350	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65128	2.8
55.01861	4.3
55.05492	3.6
66.92638	3.4
67.05512	5.0
69.03420	10.2
69.29626	3.2
70.86449	6.1
71.04982	10.6
79.05476	9.0
81.07063	37.9
83.23600	3.6
85.02900	12.6
85.06540	3.7
85.92529	3.1
88.36191	3.6
91.05486	16.9
93.07043	28.3
95.08614	3.0
97.02879	17.0
97.06538	3.5
99.04460	41.5
105.07034	58.8
106.96062	3.0
107.04943	5.1
107.08610	18.3
109.06502	8.5
109.10139	8.2
111.08082	18.5
112.03955	3.2
115.05449	3.1
119.08551	12.3
121.06515	8.9
123.08031	3.6
123.12973	3.9
125.05998	4.4
131.08569	5.9
133.06476	8.5
133.10130	100.0
135.11661	8.7
137.05991	10.4
143.08563	11.8
145.06511	4.5
145.10091	8.0
146.07204	5.1
147.08052	3.5
149.22014	3.2
151.07549	9.1
151.11171	9.8
161.09624	98.1
163.11179	24.7
174.71460	3.5
175.74640	3.3
179.10660	48.8
189.09125	40.3
193.15939	5.5
207.10126	22.3
211.16733	4.0
225.11229	84.4
228.10185	58.2
289.70328	4.0
334.11584	3.5
388.04437	5.2
404.07617	16.0
404.13464	9.4
404.23462	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	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98669	0.6
56.96568	16.3
58.06627	0.7
62.08530	0.6
71.22614	1.1
71.95252	2.1
79.05472	0.9
94.04186	2.0
98.97586	100.0
114.99413	0.9
116.98629	49.7
122.03654	4.8
123.44528	0.6
134.99666	17.6
137.05988	40.9
140.00208	4.1
153.00725	1.3
158.01273	2.1
179.00160	2.2
184.95483	0.7
193.01628	0.9
197.01230	2.4
198.01981	1.0
209.24184	0.8
210.08125	0.7
211.02794	1.5
220.00427	2.0
224.09630	1.6
226.11148	17.1
235.02786	72.4
238.01506	1.5
244.12257	6.4
253.03854	82.4
254.04208	2.2
268.12265	4.2
271.04916	1.8
276.05481	10.5
280.12259	2.3
329.13068	1.6
344.15335	8.6
362.16238	1.9
404.17447	73.4
405.17691	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	404.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01880	1.9
55.05499	4.9
67.11826	2.2
69.03442	6.6
69.07093	2.5
69.23529	21.5
71.04987	3.4
71.06144	2.1
79.05487	5.9
81.03423	2.4
81.07059	4.0
81.33698	2.7
85.02895	6.0
91.05483	13.0
91.09874	1.9
93.07046	20.7
95.08620	2.7
96.03957	2.0
98.97621	2.0
99.04443	6.7
100.11275	2.9
105.07034	54.2
107.08594	12.8
109.06526	3.8
109.10110	2.9
119.04925	2.5
119.08548	4.3
121.06499	3.2
121.10128	2.0
123.08073	8.2
130.38782	2.0
133.06488	3.3
133.09229	3.3
133.10149	41.6
135.11752	3.2
135.28708	2.2
137.05956	6.2
143.08598	2.5
145.10124	8.4
147.04401	4.7
151.07515	3.6
161.09634	33.1
163.11189	100.0
167.07111	5.8
179.10681	60.6
179.11855	1.7
181.05011	6.9
182.15494	2.8
189.09125	18.2
207.10150	16.5
210.14857	3.3
225.11221	5.4
228.10199	13.3
233.08121	3.4
333.62329	2.2
388.04764	2.3
404.13419	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	403.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01877	6.3
55.05498	11.0
56.96565	23.4
57.03416	4.7
57.07061	5.0
60.23566	3.4
65.03940	5.2
67.05494	13.9
69.03422	9.3
69.07047	10.7
70.11631	12.4
71.05003	7.4
73.02882	3.5
79.05473	13.7
81.03396	6.1
81.07063	20.0
84.96032	7.5
85.02924	18.8
85.06538	7.3
87.86155	3.2
91.05457	14.6
93.07030	15.3
95.04932	8.3
95.08591	9.4
97.02894	6.5
97.06538	4.0
98.97589	62.1
103.05484	4.9
105.07031	18.0
107.04929	10.0
107.08582	17.5
109.02866	4.2
109.06546	6.5
109.10144	12.8
110.97569	14.8
115.05432	4.7
116.98621	22.6
119.08578	10.1
121.06477	3.7
121.10163	8.4
123.11738	4.8
124.99199	3.8
125.05972	3.9
125.09612	5.4
127.03899	7.6
128.98596	16.2
129.06993	4.7
131.04932	10.2
131.08568	4.6
133.02832	4.2
133.06488	10.0
133.10110	6.8
134.99661	7.8
135.08078	4.2
135.11693	4.5
137.05992	11.2
137.09639	4.1
141.33220	4.5
143.00108	6.3
145.06448	5.4
145.10083	5.1
146.99660	8.8
147.04422	4.3
147.11667	4.6
149.06082	4.5
151.03941	6.6
151.07542	6.5
153.05460	24.7
158.99695	8.2
161.01274	5.5
161.05959	7.3
165.05528	6.5
167.07059	26.6
170.99695	6.3
177.00673	6.1
177.05392	4.6
179.06931	5.6
181.04996	27.4
191.07080	6.2
192.07834	5.4
193.05035	4.2
201.00642	5.3
205.19484	8.1
207.06540	4.2
219.01790	25.0
223.20467	6.9
234.09048	3.8
237.02806	35.1
239.13029	3.9
241.14548	9.9
241.21542	7.5
255.12672	10.5
257.14236	29.8
275.15305	14.1
283.15952	6.6
295.09570	4.0
299.15305	5.3
301.16806	19.2
358.07117	10.3
362.06641	5.1
386.06628	46.8
401.86591	3.7
403.13718	11.7
403.20224	95.4
403.25143	7.4
403.29364	5.9
404.07687	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49237	5.6
55.05503	17.5
55.18323	5.4
57.07076	7.6
67.05505	23.9
69.07068	10.0
71.04989	11.9
71.61999	10.1
76.19906	7.0
79.05484	19.3
81.07060	35.9
83.08642	10.3
91.05475	42.7
93.07050	66.9
95.04998	7.6
95.08597	27.3
105.07027	80.6
107.08602	41.7
109.06505	56.3
109.10159	23.9
111.08146	8.5
111.45495	5.8
115.05498	8.3
117.07037	30.7
119.08582	92.1
121.10148	18.9
123.08111	11.7
128.06264	13.2
129.07024	15.9
130.07782	6.6
131.08578	76.4
133.10146	89.5
135.08080	17.1
135.11708	22.0
137.09711	7.1
141.06982	7.0
142.07808	27.5
143.08577	41.1
143.23363	6.4
145.10141	100.0
147.11668	20.3
152.92773	5.8
155.08543	19.9
156.09367	19.7
157.10136	57.5
158.10912	12.7
159.11731	28.4
167.08490	9.1
168.09299	11.5
169.10120	21.0
170.10858	11.3
171.11708	31.7
172.12453	10.2
172.52150	6.0
173.13307	32.5
175.11121	7.9
175.14839	15.3
175.82477	6.2
179.08586	14.8
181.10097	15.7
182.10847	10.6
183.11739	23.4
184.12547	6.0
184.75301	6.3
185.13310	17.4
187.14847	36.4
193.10168	8.8
195.11674	20.8
197.13289	15.6
199.11218	7.1
199.14824	12.4
201.16270	7.7
206.10869	7.5
207.11682	17.7
209.13205	32.6
211.14862	15.5
221.13376	19.9
223.14641	8.1
235.14693	9.3
237.16289	9.0
247.28400	6.4
251.17966	9.5
263.18176	6.8
401.27509	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	402.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.8
56.05029	0.6
57.05818	0.5
59.04998	0.7
59.10404	0.4
69.03418	1.9
69.07069	9.4
69.96629	2.2
70.06586	1.6
71.04990	0.5
81.03426	2.0
85.02911	2.1
86.09709	100.0
87.05730	0.4
87.10036	0.9
97.02895	2.0
98.09717	0.4
109.02881	4.3
124.11229	6.9
127.03920	40.1
132.10205	3.0
164.07062	0.6
212.12897	0.7
240.12474	1.4
248.14882	2.6
258.13351	3.6
276.14420	7.6
287.05545	0.8
289.09082	1.0
402.17856	1.8
402.77701	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	1.6
70.06577	2.2
71.27304	1.9
84.04498	1.7
84.08110	1.2
85.02904	3.8
85.61607	1.3
86.09704	3.3
87.04446	1.5
89.72449	1.3
91.05448	3.9
93.07034	6.3
95.04965	1.4
97.02873	2.1
104.67225	1.4
114.05503	1.5
121.06503	11.0
124.11227	3.3
127.03928	3.8
135.22993	1.4
144.06494	1.4
145.10168	1.5
153.01759	2.9
185.11943	1.4
205.12279	4.7
223.13431	2.2
242.15480	6.8
317.08688	2.4
350.12457	1.8
403.15701	100.0
404.16107	2.9
404.20724	1.8
410.38586	1.5
417.08511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.6
67.05505	3.5
69.03429	6.9
69.86285	19.1
70.06588	6.2
79.05496	7.7
81.07057	9.2
83.04964	14.9
85.02905	7.9
91.05475	8.3
93.07006	4.2
105.07051	5.7
107.04935	11.6
109.10184	4.2
119.04945	7.1
121.10091	4.3
123.08049	3.6
126.87150	3.5
127.03895	7.0
137.05984	7.5
137.09636	8.2
147.04445	19.8
148.04774	16.0
153.05666	3.3
156.05704	5.7
159.07977	4.2
167.07028	31.2
181.04944	3.8
191.06999	4.1
192.07906	3.5
193.08641	4.2
204.07559	7.5
208.05368	4.1
217.08577	4.7
218.07234	3.8
219.08099	4.3
221.15390	30.1
247.07599	4.2
263.07114	3.9
263.10767	4.2
264.07809	3.9
276.07773	4.5
279.10022	7.4
282.08960	6.5
291.10031	5.6
293.07901	4.0
307.09464	5.7
308.10703	4.4
315.08557	23.0
319.09656	6.0
323.12601	6.4
330.11166	18.7
337.10565	5.5
339.12265	3.9
343.11719	9.8
351.12320	7.6
368.12506	7.2
383.15021	37.4
401.16159	99.3
401.21490	100.0
401.28870	10.4
422.05096	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	401.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32233	0.6
54.18826	0.7
55.05528	0.8
61.76375	0.6
67.05494	1.8
68.28397	0.6
69.03423	1.1
69.07063	1.0
79.05507	1.1
81.07056	2.4
91.05484	1.4
93.07009	0.6
95.08604	1.9
95.58894	0.6
98.20736	1.0
100.66044	0.5
105.07033	1.7
107.04951	1.0
107.08582	1.6
109.06515	1.1
109.10184	1.4
119.08596	1.1
121.10108	1.1
133.10132	0.9
135.08032	1.0
145.10127	0.6
147.11687	0.8
159.08119	0.7
167.07002	3.7
175.11263	0.6
181.04932	0.9
217.08672	1.6
219.10068	0.7
221.19058	0.7
247.07578	1.0
247.09857	0.6
263.10953	0.7
277.08401	0.7
284.55087	0.6
286.59537	0.6
313.16211	11.5
315.08640	1.2
330.10941	1.3
351.12164	0.9
368.12973	0.7
383.14890	2.5
401.21451	100.0
402.21875	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96545	3.6
61.97511	3.1
62.23749	3.0
66.95751	3.3
69.03425	7.8
70.02940	17.5
79.05479	7.4
81.07063	9.0
83.04963	9.8
85.02892	4.4
91.05460	9.4
92.27257	3.1
95.04937	4.0
95.08631	3.3
97.02896	3.3
105.07008	4.7
107.04926	11.9
109.02940	3.2
109.06469	3.6
109.10145	3.6
119.04964	5.9
119.08596	3.6
121.10114	3.7
127.03962	4.2
128.06363	4.3
129.07045	3.9
131.08528	3.6
137.05988	4.9
137.09587	6.0
147.04393	21.5
148.04750	15.2
159.08066	6.6
161.05905	3.3
167.07071	28.2
181.05002	4.3
187.07507	4.4
192.07780	5.3
203.14075	3.5
207.06439	3.7
208.05220	4.7
217.08626	4.2
219.08115	6.4
219.10117	4.4
221.11639	4.2
221.15384	25.0
247.07497	6.5
257.07184	3.7
275.07065	5.7
279.10123	4.8
282.08789	3.8
291.10129	3.8
307.09644	6.1
308.10458	4.2
315.08615	15.3
323.12692	7.0
328.42694	3.6
330.11002	23.1
339.12027	6.1
343.11823	6.0
351.12436	5.4
368.12531	8.9
369.68994	3.5
383.14865	26.6
401.16071	100.0
401.21503	98.5
401.28735	11.3
402.16095	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	401.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	3.3
65.72105	2.0
68.19799	2.1
70.64017	2.0
71.04987	2.4
79.05507	13.6
81.07067	4.8
82.49970	1.9
85.33014	2.3
91.05492	9.4
107.04955	30.0
115.05470	5.9
116.06242	2.8
117.07024	3.9
119.04958	2.2
119.08680	2.2
121.06488	2.8
123.04441	3.8
128.06192	3.7
129.07004	8.0
131.04944	2.3
131.08577	7.8
132.05688	2.8
132.88884	2.5
137.06003	3.7
141.06998	4.8
144.05704	6.6
145.06485	3.2
155.52069	2.3
156.05725	8.6
157.06528	4.5
159.08057	14.3
161.05998	4.4
163.03952	3.7
165.05638	2.7
167.07050	100.0
170.07269	2.4
172.05287	3.0
173.06013	6.3
174.06767	3.2
181.05048	3.9
183.06491	2.9
186.06758	3.9
187.07545	10.1
189.07016	2.1
191.08589	2.3
195.06528	2.6
195.08173	3.6
202.06206	5.0
202.07864	2.6
203.08635	3.4
205.06850	2.9
205.08577	13.2
207.06534	2.7
208.05132	21.4
215.08745	2.8
217.08611	27.6
218.07298	6.5
219.08060	12.0
219.10069	5.1
220.08813	4.3
221.06044	7.5
221.09596	2.6
229.08578	4.3
231.08093	8.9
231.10187	5.2
232.09050	3.0
233.09673	3.9
235.07507	3.4
236.04645	7.4
236.08261	7.2
237.09076	2.7
239.07031	3.3
247.07666	10.4
247.09691	13.4
248.08359	13.6
249.05489	3.0
249.08958	2.8
251.07057	2.7
251.10713	3.9
253.08723	2.7
254.05762	10.8
257.14023	2.9
259.07590	4.4
261.09021	6.8
262.06396	2.8
262.09796	3.9
263.06912	3.2
263.10739	9.8
264.07751	5.9
265.08716	5.7
267.06561	7.0
268.03775	2.3
269.08014	21.8
271.09705	7.7
275.07053	9.3
276.07813	5.3
277.08453	4.6
279.06857	2.1
279.10150	7.3
282.05722	4.2
282.08923	14.1
285.07602	3.3
290.09406	7.3
291.10052	16.6
292.07327	4.9
293.08206	11.9
293.76245	2.1
295.06055	2.3
301.07126	2.9
303.06381	2.6
307.06473	2.6
307.09607	13.4
308.10309	5.7
309.07706	2.7
310.08447	11.0
311.12912	3.9
315.08630	78.8
316.09134	4.7
319.09653	10.0
321.07635	5.4
323.12692	11.7
328.09509	6.3
330.10965	92.1
331.11737	8.0
336.09903	5.6
337.10565	5.8
339.12271	7.8
343.11792	20.5
351.12265	24.1
352.13123	4.9
353.10150	9.9
356.12604	2.7
368.12616	8.9
369.13272	6.8
371.14804	6.6
383.14929	61.1
383.19781	3.1
390.46393	2.7
401.15918	19.7
401.20596	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	401.0095
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	6.1
69.58833	3.2
69.59238	7.4
71.95240	2.1
74.51121	1.3
98.97585	100.0
100.97159	1.6
114.48233	1.5
116.98622	53.5
134.99660	15.2
157.23274	1.3
172.94322	2.0
190.95389	2.2
194.53377	1.2
212.31285	1.4
219.02052	1.7
221.01814	1.4
232.96468	2.4
234.99954	1.9
240.98804	4.4
245.93869	1.2
250.97740	1.5
253.11856	1.4
256.94244	1.3
256.96478	7.7
258.99780	62.3
260.99771	1.8
261.03064	3.7
263.02823	1.5
274.97519	41.4
275.97818	1.6
276.97607	6.5
277.00800	64.0
278.01007	2.2
283.00015	6.6
284.99612	1.8
292.98529	19.9
293.10904	1.5
293.98975	1.9
294.98587	2.4
300.02164	1.6
301.01053	8.2
303.00833	2.0
358.99600	1.6
382.99994	5.2
401.01120	19.1
418.97952	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	401.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02021	2.7
53.03955	3.3
56.96577	2.9
57.03446	4.4
58.04230	4.3
64.68040	2.4
65.03944	2.9
69.03429	4.9
70.06604	20.2
71.18624	5.2
73.02920	11.4
79.05494	15.0
80.05509	5.0
81.07067	5.6
84.04523	4.7
84.18359	3.0
85.02906	7.9
85.03385	2.5
87.04482	3.6
89.06041	34.7
91.05488	11.4
93.07069	5.1
95.04977	5.5
95.08616	4.5
97.02902	4.4
102.05593	3.4
102.06812	3.0
103.05468	4.9
105.07055	6.3
107.04957	30.8
107.08600	5.8
109.06519	2.8
115.05470	5.7
116.06268	4.3
117.07040	4.2
119.08545	3.1
120.08106	7.2
121.06513	3.3
123.04448	4.1
123.08131	5.6
124.05240	7.5
125.05990	5.3
127.03960	3.2
129.07016	7.1
131.04921	3.8
131.08572	11.0
133.08578	14.9
135.08043	3.9
136.07562	9.2
137.05972	6.3
141.07018	7.9
144.05742	8.8
145.06487	8.7
152.04672	2.7
155.09819	3.3
156.05733	13.9
157.06570	3.7
159.08090	15.0
161.06035	4.4
161.09586	2.9
164.07083	3.2
165.07060	2.8
165.09145	8.8
167.07054	100.0
167.08263	3.5
173.05997	5.9
177.11290	7.2
179.07106	4.2
181.04950	9.1
181.06441	3.1
181.08530	3.2
184.05182	4.5
185.04773	2.7
186.06821	5.9
187.07581	14.8
190.08028	3.0
193.08710	3.5
195.06448	2.9
202.06224	7.1
202.07855	4.0
203.08624	4.5
205.06711	4.8
205.08537	16.2
206.07289	3.3
207.06505	5.8
207.10123	3.5
208.05168	25.9
210.06866	3.9
211.07529	3.6
215.08791	3.2
217.08585	35.1
218.07324	5.6
219.08069	16.6
219.10188	11.0
220.08838	6.8
221.05963	9.5
221.08000	4.5
221.11792	3.6
221.15434	5.7
229.08627	7.4
230.07379	2.8
231.08064	8.7
231.10164	5.8
233.05949	3.5
233.09660	5.9
234.06723	5.1
235.07475	3.0
235.11205	3.1
236.04733	5.8
236.08377	7.0
238.06213	5.4
239.06985	3.3
239.12799	3.3
240.04346	2.9
246.06734	3.4
247.07541	14.3
247.09734	21.4
248.08287	16.3
249.09099	4.6
251.10658	4.3
254.05783	8.0
255.06581	4.5
257.04312	3.5
259.07578	2.8
261.09164	7.9
263.07019	5.1
263.10739	13.0
264.07828	8.9
265.08578	6.9
267.06482	7.8
268.03650	2.9
268.10406	3.1
269.08078	23.5
269.10638	3.9
271.06165	3.5
271.09784	7.1
275.07013	8.7
276.07700	13.9
277.05569	2.9
277.08676	9.4
279.07104	3.9
279.10187	13.2
282.05771	3.4
282.08868	15.1
283.06049	3.5
285.07416	4.5
290.09467	4.8
291.10147	19.0
292.07364	3.9
292.10764	2.9
293.08246	11.9
297.07986	2.9
297.11282	3.8
299.09061	12.8
300.06271	3.4
301.07230	3.9
305.08090	4.4
306.09116	3.7
307.09689	15.0
308.10449	9.5
309.07767	4.7
310.08456	11.5
311.09186	4.1
311.12836	4.0
313.10690	7.1
315.08661	75.7
315.14157	12.0
318.08905	3.4
319.09564	10.9
321.07547	6.0
323.09512	4.6
323.12823	19.4
325.10791	9.0
328.09558	7.1
330.11002	85.7
331.11832	6.8
335.08820	3.8
336.10037	5.6
337.10654	7.6
339.12415	12.9
343.11771	26.0
351.12314	34.0
352.12997	5.8
353.10272	4.6
356.12704	3.5
358.14053	27.4
368.12527	10.7
369.13339	12.8
371.15048	4.9
373.16672	3.9
383.14941	73.6
401.15964	41.1
401.21478	73.9
401.28693	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	399.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.1
55.05513	19.7
57.03432	3.9
57.07064	10.6
59.04992	4.4
67.05505	26.6
69.07079	27.6
71.08626	9.2
71.61227	4.6
71.62029	3.6
76.56077	3.1
79.05503	13.1
81.07063	51.9
83.05009	3.4
83.08628	12.4
85.06546	4.1
88.07671	3.6
91.05486	10.0
91.97404	2.8
93.07053	47.1
94.02328	3.1
95.08608	100.0
97.06512	4.8
97.10174	6.5
99.04472	7.1
101.06023	6.0
105.07055	29.5
107.08603	62.1
109.10159	41.4
111.04461	5.7
111.08079	3.4
116.84465	3.0
119.08594	39.9
121.06492	4.7
121.10155	54.3
123.11712	12.1
125.09610	4.8
131.08582	8.7
133.10150	27.8
135.08017	7.5
135.11693	43.5
137.13257	7.0
139.10951	4.1
145.10129	12.0
147.06624	4.3
147.11694	31.2
149.13251	29.8
157.09061	3.2
159.11670	15.3
161.13242	17.5
163.11166	5.4
163.14828	11.3
167.10612	4.6
173.13280	11.1
175.11218	4.5
175.14827	9.8
177.12740	14.7
177.16379	4.9
181.12274	6.4
189.16440	11.6
191.14355	13.4
191.17958	59.8
195.13759	13.7
201.16318	3.6
203.17969	20.7
205.19537	5.1
207.13858	5.8
209.15398	23.5
217.19562	14.9
315.39987	3.2
338.34094	3.3
381.31412	7.9
399.32648	71.6
400.32864	6.6
400.37878	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	401.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37540	0.4
55.24559	0.4
57.03424	0.6
62.17054	0.4
69.03423	0.7
71.60358	0.6
74.11568	0.3
85.02877	0.5
98.78793	0.4
98.97589	1.4
101.00879	2.8
119.01917	4.1
120.95397	0.4
124.11225	0.8
131.01909	0.4
138.96451	1.0
139.02382	0.7
143.01913	1.1
145.03484	1.1
156.97487	10.3
157.03499	3.1
161.02998	0.9
163.04619	0.4
167.93555	0.3
174.98549	7.1
175.04550	1.3
180.97464	4.6
185.03078	0.5
194.99039	3.0
198.98547	22.0
199.98624	0.5
200.98315	1.0
201.00058	0.5
205.05569	1.4
206.99083	0.7
210.98509	1.9
213.00101	13.0
216.99564	3.6
223.06625	2.1
225.00093	1.6
228.99615	0.6
231.01193	1.3
239.04456	0.7
265.07706	0.6
281.05191	0.4
285.02280	4.6
303.03275	100.0
304.03442	2.5
321.04343	0.9
383.09399	0.5
401.08408	3.8
401.13184	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.1626
Annotation	His Glu Asn
Peak:m/z	Relative Intensity
55.05503	1.9
69.03427	1.6
69.07072	0.8
70.06587	1.2
75.93263	0.6
83.04988	0.9
83.08602	1.2
84.86595	0.7
85.02898	1.5
85.06512	0.7
86.78009	0.8
89.96405	0.7
93.03560	0.6
95.04935	0.7
97.02895	0.7
98.20655	1.5
100.07606	1.2
100.11256	3.7
111.04451	2.0
127.03913	9.3
128.07085	1.8
131.08522	0.8
157.06453	1.1
167.07040	2.3
175.08746	0.8
181.66769	0.7
182.15337	4.2
210.14914	5.4
219.09990	1.9
234.50620	0.9
237.10945	3.3
244.44406	0.7
255.17155	1.2
279.10010	1.2
337.10889	0.9
337.21176	2.1
338.68808	0.8
339.12384	1.1
354.23697	1.3
382.23175	1.1
399.16278	100.0
400.16589	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	399.2013
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03933	1.5
55.01855	1.3
55.05499	1.3
57.03443	2.8
61.02931	3.1
65.03954	0.5
66.59270	0.5
67.05481	1.3
69.03071	0.6
69.03432	10.3
69.07039	1.0
70.63975	1.1
71.04973	1.5
73.02896	1.7
73.95070	0.4
75.63000	0.4
79.05477	1.5
81.03415	3.0
81.07056	8.8
83.01315	1.3
83.04958	0.9
85.02906	18.3
85.06542	0.6
87.04475	2.8
87.81332	0.4
89.12777	0.4
91.03944	1.1
91.05464	2.3
93.07030	4.5
95.04974	1.4
95.08591	2.8
97.02888	6.6
97.06502	0.9
98.21401	0.5
99.04442	1.6
99.08094	0.7
105.07027	4.1
107.08593	4.3
109.02876	2.4
109.06500	2.4
109.10162	6.3
115.03944	0.6
117.07008	1.2
119.08588	4.6
121.06483	1.1
121.10157	3.3
123.08038	1.8
123.11710	4.8
125.05962	1.7
127.03853	2.7
127.05997	0.4
127.07523	1.6
129.07011	1.1
131.08589	3.0
133.10139	3.7
135.08041	1.4
135.11676	1.6
137.05984	2.2
137.09610	1.2
139.07539	1.1
145.04932	1.0
145.10097	1.2
147.08028	0.5
147.11678	4.2
149.09631	2.3
149.13239	1.3
151.07518	2.6
151.11176	1.0
159.11676	4.2
161.09602	3.3
161.13242	1.6
163.11156	0.8
163.14786	0.6
165.12819	1.0
168.79462	0.6
171.11639	0.6
173.13268	1.7
175.11169	0.6
177.12723	2.7
179.10680	2.4
179.14317	4.0
189.12741	2.3
191.14258	2.4
201.12784	1.4
207.13799	14.7
219.13847	6.2
219.17366	1.0
221.92923	0.5
237.14851	100.0
238.15274	1.9
399.20129	55.7
400.20419	1.3
409.90915	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.05514	18.9
56.96558	5.5
57.07055	8.2
67.05502	22.5
69.07074	22.3
70.78845	7.1
79.05495	15.6
81.07062	52.0
83.04972	3.0
83.08604	7.9
85.06536	5.5
85.10189	2.8
91.05463	17.6
93.07051	47.4
95.04945	2.5
95.08607	100.0
97.06495	3.9
97.10176	6.2
99.04456	4.6
101.06009	6.5
102.64586	2.4
105.07030	27.3
107.08599	60.5
109.06534	2.5
109.10157	41.8
111.04417	2.4
117.07030	3.4
119.08597	35.9
121.06451	2.7
121.10143	51.5
121.11016	3.9
123.11725	13.7
127.07545	3.1
131.08562	7.2
133.10143	27.0
135.08051	4.4
135.11694	54.4
137.13251	10.7
143.08539	3.4
145.10127	5.5
147.06543	2.3
147.11685	23.2
149.09560	5.1
149.13260	31.0
153.09052	4.1
159.11671	14.1
161.13226	17.5
163.11165	3.3
163.14789	10.9
165.12688	3.7
169.10040	2.7
173.13240	7.5
175.14804	8.2
177.12718	8.4
177.16405	7.0
187.14853	5.3
189.16367	12.3
191.14326	11.3
191.16153	3.6
191.17944	75.3
195.13828	18.3
201.16362	6.5
203.17967	21.1
205.19563	3.9
207.13838	9.7
209.15359	20.4
217.19514	14.2
229.07367	4.5
231.21107	3.9
245.57391	2.6
257.22693	3.0
261.18393	2.7
264.09756	3.1
318.78922	3.0
381.31357	7.6
399.27206	15.6
399.32510	45.3
400.37793	3.4
403.01453	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	398.145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65257	1.2
54.12010	1.4
57.03446	9.9
58.06584	4.5
58.26068	1.3
61.02909	3.9
67.70659	1.1
68.99783	1.6
69.03416	4.2
70.06596	100.0
71.61217	1.6
72.08146	1.6
73.02558	1.4
73.02925	23.5
79.05493	1.1
81.03403	1.8
84.08104	1.1
85.02917	6.6
91.05466	1.4
93.03404	2.0
95.34688	1.2
97.02874	4.7
98.97539	1.1
107.04940	1.9
110.09583	1.4
115.03955	1.3
122.14234	1.1
124.11206	3.9
127.03888	2.3
135.04407	3.3
142.79416	1.2
145.02821	2.2
153.01822	2.2
159.06746	3.0
160.07478	1.6
161.05914	1.6
163.03929	8.6
172.07579	6.8
176.10696	6.2
179.03406	7.3
184.13774	1.3
188.07074	14.8
191.03410	57.5
194.16649	1.4
200.07001	2.6
209.04474	40.5
218.08072	6.0
220.06030	1.9
227.18256	1.3
235.11447	2.2
236.09283	23.0
236.11926	4.3
243.22028	1.3
248.09209	15.6
266.10287	26.1
271.53357	1.2
277.03287	2.0
311.07889	1.3
380.13461	27.2
398.14337	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	398.1492
Annotation	2-Methylthioribosyl-trans-zeatin
Peak:m/z	Relative Intensity
54.49929	0.3
54.53202	0.3
55.01853	1.3
57.03420	1.4
65.03922	0.4
67.05494	1.0
69.03394	0.4
70.23834	0.6
70.24232	0.7
71.01336	0.9
73.02918	0.6
85.02882	1.1
89.34196	0.3
96.48162	0.3
96.48838	0.3
107.03588	0.3
109.05109	0.5
134.03636	0.5
134.04630	9.3
135.03027	0.7
140.02766	0.6
152.05656	1.9
156.06856	0.3
165.02321	5.0
167.02621	1.3
175.09766	0.6
177.51231	0.3
181.05434	0.9
182.04964	100.0
182.87581	0.4
183.05168	0.7
194.04924	1.8
200.09209	0.8
201.20744	0.3
205.05424	2.1
216.04657	1.1
218.10257	0.4
219.07014	0.7
221.08521	0.5
224.06012	0.5
231.06982	7.0
236.04761	0.4
248.09663	10.8
266.10706	85.6
267.11060	1.3
314.09204	0.6
332.39526	0.4
398.14935	32.5
399.15375	0.9
404.67337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07130	2.8
55.05503	11.4
57.07082	18.3
67.05517	25.8
69.07076	18.2
71.08624	13.6
71.50489	4.0
79.05488	9.4
81.07064	53.3
83.08600	17.2
85.10179	10.2
86.18406	3.1
91.05467	15.9
93.07047	18.7
95.08609	47.1
97.10150	16.5
105.07048	26.8
107.08604	23.9
109.03738	3.6
109.10161	38.0
111.11727	8.3
116.71276	3.1
117.48711	3.2
119.08574	21.2
121.10146	17.9
123.11697	11.2
124.56595	2.8
125.13226	3.3
131.08582	5.7
132.92784	3.0
133.10112	18.1
135.11705	38.1
137.13290	5.7
147.11702	61.7
149.13272	21.3
151.14812	6.4
159.11710	3.2
161.13260	54.0
163.14813	10.3
165.16385	4.3
173.13298	7.0
175.14821	19.1
177.16405	4.2
186.05814	3.1
187.14827	5.1
189.16411	9.0
201.16440	5.8
203.18039	12.0
215.17984	14.0
217.19531	4.8
222.53247	3.0
229.19667	6.4
243.21104	12.0
257.22742	5.9
261.25870	4.9
287.27570	4.0
301.28879	5.5
302.73801	3.3
315.30432	3.7
397.38333	100.0
398.38199	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	397.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92018	2.4
55.05515	18.8
56.16690	2.3
57.07080	19.9
59.99270	2.4
67.05508	31.0
69.07071	34.5
70.65482	7.2
71.08640	15.3
72.97613	2.3
79.05507	12.4
81.07061	65.5
83.08625	13.9
85.10187	8.8
91.05485	20.0
93.07044	29.0
95.08611	58.6
97.10178	14.1
105.07038	35.8
107.08591	34.0
109.09431	4.2
109.10154	41.3
111.11714	9.9
117.06985	3.0
119.08576	30.4
121.10153	19.9
123.11701	14.6
131.08549	5.7
133.10146	24.1
135.11702	37.3
137.13286	7.5
145.10143	7.0
147.11699	61.2
149.13268	14.7
151.14760	3.0
159.11748	6.1
161.13254	39.3
163.14874	8.4
165.16431	3.0
173.13261	4.5
175.14824	19.7
177.16528	2.4
179.17952	2.6
187.14819	5.3
189.16386	10.5
201.16411	5.7
203.18033	10.0
211.64001	2.2
215.17883	12.0
217.19560	4.3
229.19539	5.6
243.21078	12.0
257.22836	8.6
261.25790	3.4
275.27481	3.3
287.27441	3.5
301.28723	4.1
315.30615	4.5
318.72974	2.3
338.15356	2.1
397.38345	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2199
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
55.05526	0.4
57.02182	0.5
67.05496	0.6
69.03402	0.5
69.07054	0.5
69.26720	4.2
79.05487	0.4
81.03421	0.4
81.07038	0.9
83.04948	0.4
83.12653	0.4
85.02895	0.8
95.08598	0.9
97.02908	0.5
105.07038	0.8
109.10146	0.6
119.08587	0.8
121.06535	0.6
121.10144	0.6
133.10121	1.0
137.05981	0.5
143.08618	0.5
147.04314	0.4
172.25339	0.4
203.05272	0.6
221.67152	0.5
235.16945	0.5
250.41368	0.4
280.92920	0.5
397.21991	100.0
398.22342	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	397.3104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74830	1.3
52.96925	1.4
53.03940	2.0
55.05508	7.7
58.46601	1.3
65.03915	1.8
67.05508	14.3
69.07082	12.9
79.05509	12.5
81.07059	39.4
83.08620	7.0
84.08124	1.6
91.05490	13.8
93.07047	37.9
95.08041	2.7
95.08609	41.3
97.10164	3.4
105.07033	36.9
107.08599	47.4
109.06524	1.9
109.10154	15.5
119.08587	42.1
121.10146	25.7
123.11687	4.0
131.08568	8.2
132.94463	1.6
133.10136	26.2
135.11714	12.2
137.13223	1.7
143.08556	1.5
145.10132	13.0
147.10629	2.6
147.11688	26.8
149.13266	100.0
150.13475	1.7
153.09077	4.8
157.10049	3.3
159.11707	12.0
161.13263	71.3
163.14827	35.3
165.09158	1.8
167.10924	1.5
171.11726	2.6
173.13194	5.4
175.14812	23.9
177.09111	2.3
177.16385	7.3
187.14832	4.9
189.16386	29.4
191.17995	6.1
199.14809	2.6
201.16350	10.9
203.16211	2.7
203.17964	27.0
203.19760	3.0
205.19560	3.7
207.17526	1.5
213.16412	2.7
215.17941	5.8
217.19650	1.8
223.16811	1.5
227.17972	5.7
229.19511	3.0
235.16870	4.7
241.19469	3.9
243.21042	3.3
247.16957	8.4
249.18520	4.7
255.21040	7.7
261.18463	4.5
269.22559	1.6
287.31973	1.4
301.21664	1.8
351.30453	22.4
379.30072	2.0
397.30969	32.7
397.35663	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	397.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
57.03433	0.8
67.05505	1.0
69.03402	1.1
69.07078	0.5
70.06580	1.7
71.04976	2.5
71.61332	0.7
79.05483	0.8
81.03421	0.6
81.07038	2.1
84.08128	0.6
85.02901	1.2
85.06537	1.5
86.09699	1.0
93.07053	0.8
95.08585	1.3
97.02908	0.7
97.06477	0.7
107.08571	1.3
112.14438	0.5
127.03944	2.9
133.04996	0.6
140.85672	0.8
149.02080	2.2
153.01901	1.3
163.14812	1.0
181.15865	0.8
199.16914	2.3
216.04123	0.6
217.18001	0.9
227.09212	0.7
231.06538	0.6
235.09575	0.9
235.19016	1.1
259.05911	1.0
259.79715	0.5
263.09244	0.7
271.07867	2.6
291.08694	0.7
365.12158	0.7
391.94815	0.6
397.11005	100.0
398.11298	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	397.1649
Annotation	Ponganone VI
Peak:m/z	Relative Intensity
52.19936	1.5
63.03567	1.3
63.87546	1.3
65.03922	2.0
69.03422	2.1
71.61609	1.4
77.47068	1.7
79.05469	2.2
81.07040	3.0
85.02881	2.7
85.98510	1.3
91.05491	12.4
94.04186	4.0
95.04984	2.2
97.02916	1.8
103.05469	3.9
105.07002	3.7
107.04969	2.6
109.06528	2.4
115.05476	1.8
117.07012	3.6
119.04933	6.5
121.02854	1.5
122.03687	8.8
123.08048	3.4
127.03891	1.4
128.06198	5.6
129.06996	5.9
131.04907	4.1
131.08543	5.5
133.06448	1.7
133.10165	2.0
137.05983	100.0
141.06995	4.5
142.07758	2.4
143.08521	1.8
144.05650	2.8
145.06570	2.0
146.03604	1.7
147.04416	1.8
147.08066	1.7
149.05925	5.5
151.03871	2.4
151.07561	13.3
152.06081	2.8
153.01845	2.7
153.06943	2.2
154.07816	2.8
155.08536	5.3
157.06497	3.1
157.10118	1.8
158.07239	3.4
159.08006	5.0
161.06007	16.8
161.09627	2.8
163.07523	2.5
165.07013	7.5
167.08556	2.4
168.05693	1.6
169.06447	3.9
170.07350	3.7
171.08054	5.4
172.08846	3.8
173.09584	2.2
175.07530	6.0
181.06602	1.9
182.07260	7.7
183.04417	1.7
183.08022	6.1
184.05212	2.3
184.08813	3.3
185.05975	2.5
185.09607	11.7
186.06776	2.7
187.07568	8.4
189.09113	2.9
189.12756	2.8
191.07115	8.3
194.07295	2.8
195.08020	3.1
197.05983	3.2
197.09648	13.5
198.06779	18.8
199.07503	11.1
200.08276	4.2
201.09099	5.6
202.07800	1.9
205.08653	4.4
209.09566	1.8
210.06859	3.5
211.07545	5.4
212.08340	5.1
213.09106	24.7
215.08687	2.3
215.10628	7.5
216.07739	1.9
217.08450	2.4
217.15891	1.6
224.08293	2.0
225.09088	14.9
227.10645	2.1
229.08374	1.8
229.10330	2.6
231.08000	3.8
231.10091	2.5
232.08890	2.3
233.09488	3.1
243.07971	2.3
243.10173	20.4
244.08743	1.9
245.09708	3.5
245.11812	1.9
246.10442	1.9
247.07498	2.5
247.11496	2.0
255.10304	8.4
257.09601	3.6
259.07532	3.0
260.08490	2.4
261.09158	4.5
262.09723	1.9
264.07730	2.5
265.08633	4.4
271.07492	2.5
273.11282	78.2
274.09564	3.6
275.10651	5.1
276.07843	3.4
277.08636	5.3
277.11911	1.8
278.09326	2.2
279.06802	1.7
285.09140	2.9
286.09680	2.4
287.07327	1.8
287.10721	1.7
288.07932	3.6
289.08597	5.9
289.12204	3.7
290.09351	3.4
291.10101	8.6
292.07480	3.0
292.10928	2.7
293.08127	6.0
293.11743	4.9
301.08578	4.1
301.11960	2.0
302.09341	3.0
303.10181	5.8
305.11679	5.7
306.08807	4.0
307.09692	17.6
308.10443	9.0
309.11493	1.9
310.08249	1.5
317.11719	3.3
318.12482	2.0
319.09494	3.8
319.13135	2.7
320.10333	3.7
321.11121	10.6
322.11697	2.0
325.10654	4.5
333.11099	6.2
334.12018	2.7
335.12820	12.0
336.13419	3.1
337.14597	1.8
339.12360	4.9
349.14410	7.9
351.12347	18.4
353.13651	2.4
354.14630	29.4
367.15451	4.3
379.15460	19.0
391.94382	2.2
397.16458	96.2
398.16739	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	396.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03426	0.2
55.05486	0.2
56.96563	1.0
57.03414	0.4
58.55590	0.2
60.04498	0.2
61.02923	0.3
64.97370	0.1
69.03423	0.8
70.06585	0.4
71.04980	0.3
71.60883	0.2
72.08157	1.4
73.02922	0.3
81.03400	0.6
83.04984	0.2
84.08134	0.2
85.02464	0.2
85.02906	1.9
86.09688	0.6
87.04448	0.2
91.05449	0.2
92.40398	0.2
96.08094	0.2
97.02888	1.1
98.97581	1.3
101.00871	0.3
107.04949	0.3
108.83321	0.2
109.02878	0.4
110.97568	0.2
116.98635	0.5
119.01927	0.5
124.05083	0.2
124.11220	0.2
127.03940	0.8
128.98595	0.2
130.06516	0.6
140.02246	0.2
143.00107	0.3
143.01912	0.2
143.03461	0.2
144.08090	1.1
145.03436	0.2
145.04959	0.4
145.08896	1.9
146.99643	0.2
153.01833	1.4
154.02090	0.2
154.06575	0.2
154.12270	0.3
155.07254	0.5
157.03474	0.3
158.99698	0.2
160.07587	0.6
161.01257	0.2
161.02927	0.2
164.04546	0.2
166.07272	0.4
170.09682	2.2
170.99605	0.2
172.07576	16.8
172.95190	0.2
173.08356	7.5
174.09151	0.6
176.10767	0.2
181.08810	0.5
183.06783	2.8
185.02977	0.2
185.06610	0.2
186.04358	0.3
186.09142	1.3
193.00272	0.3
196.07640	0.2
197.08308	0.4
198.09149	13.4
199.09476	0.2
201.00648	0.3
216.10205	7.7
219.01732	0.5
223.06656	0.5
229.02002	0.3
230.07326	0.4
233.10316	0.2
233.12851	0.2
234.11249	100.0
235.11594	2.2
237.02776	0.5
239.04282	0.2
259.02390	0.3
277.03485	0.5
291.09271	0.4
293.07095	0.2
303.01477	0.4
307.03134	0.2
316.99454	0.2
355.05167	0.7
373.06192	0.5
379.10629	0.3
396.12302	0.4
396.16534	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	396.2512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54451	1.3
55.05513	3.6
56.05037	1.9
56.96554	1.8
57.03433	2.5
57.07061	1.6
59.76159	1.4
60.04528	100.0
67.05499	7.4
67.62846	1.3
69.07077	6.9
69.32473	12.3
70.06582	2.1
72.04546	2.3
72.41486	1.3
74.06075	8.2
79.05495	5.4
80.05031	2.2
81.07061	8.6
83.08611	2.7
91.05464	4.6
93.07025	4.6
95.08612	8.9
98.20678	2.8
98.98470	1.6
105.07034	2.5
107.08600	3.5
109.10148	4.2
117.07061	1.6
119.08609	3.7
120.08936	1.5
121.10145	5.3
122.46279	1.4
123.11706	2.3
133.10130	3.2
135.11702	2.6
138.10382	1.4
212.93883	1.5
216.24492	1.6
222.50850	1.5
225.34422	1.4
280.26389	8.4
295.21027	1.4
298.27402	43.7
298.38474	1.6
308.16986	1.5
310.14441	1.3
310.94266	1.6
396.25009	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	396.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02899	0.5
64.35036	0.3
66.88560	0.3
69.03396	1.4
70.71944	0.5
70.72289	0.9
73.02877	0.6
85.02869	1.3
86.09688	0.9
97.02871	0.6
105.54813	0.4
129.17316	0.4
130.06557	0.7
144.08089	1.2
145.08879	1.6
160.07545	0.8
166.45959	0.4
170.09624	2.6
172.07581	22.1
173.08379	8.1
174.09065	0.9
181.08788	0.6
183.06760	2.3
186.09143	1.6
188.75343	0.4
197.08388	0.4
198.09157	15.4
199.09521	0.5
213.79919	0.3
216.10210	10.7
218.11789	0.5
220.58836	0.3
234.11253	100.0
235.11496	1.1
396.16565	51.1
397.16885	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.48832	0.3
69.03412	0.7
71.50746	0.5
83.27102	0.3
85.02882	0.6
95.01247	0.3
97.02858	0.5
98.09668	0.5
130.06540	0.8
144.08089	1.3
145.08864	2.0
154.06577	0.4
157.83301	0.3
160.07568	0.8
170.09647	2.6
172.07574	17.9
173.08362	8.4
174.09081	0.6
181.08871	0.6
183.06764	2.6
186.09106	1.6
197.08432	0.7
197.94800	0.3
198.09152	16.5
200.46239	0.3
216.10196	10.3
218.11784	0.9
234.11250	100.0
235.11635	2.1
269.80923	0.4
320.68854	0.3
350.11615	0.3
357.78058	0.3
396.16537	32.2
397.16727	0.9
403.76221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	11.3
57.07084	18.7
62.01931	2.4
62.60921	2.0
67.05512	32.7
69.07070	28.8
70.89396	5.2
71.08626	17.2
77.01063	2.1
79.05505	16.6
81.07062	63.7
83.08631	14.5
85.10186	12.4
91.05489	25.7
93.07059	19.7
95.08614	41.3
97.10169	11.7
105.07034	38.3
107.08603	23.9
109.10172	20.9
111.11746	8.4
117.07055	21.3
119.08580	18.9
121.10142	12.6
123.11690	10.6
125.13266	3.4
129.06992	4.9
130.07788	2.7
131.08568	21.9
132.12843	2.4
133.10136	31.8
135.11728	11.9
137.13303	4.5
143.08588	5.6
145.10132	53.7
147.11703	23.7
149.13274	7.5
151.14836	4.8
157.10086	11.3
159.11691	32.8
161.13281	7.5
171.11745	4.7
173.13222	12.4
175.14882	3.9
179.87045	2.3
185.13322	6.8
187.14890	5.9
191.17920	3.1
199.14879	6.9
201.16490	5.2
213.16417	5.4
227.17984	4.9
241.19562	3.0
247.24316	2.3
255.21127	5.5
275.27350	3.2
287.27493	2.2
289.29053	2.6
366.85669	2.5
395.36789	100.0
396.37195	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	395.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20389	2.9
55.05514	15.5
56.93702	2.6
57.07068	21.4
57.07316	4.8
67.05506	27.3
69.07072	26.2
70.66033	9.7
71.08629	19.5
79.05489	13.7
81.07055	66.7
83.08614	16.6
85.10190	12.7
88.57764	3.2
90.85553	3.0
91.05476	26.1
93.07035	22.4
95.08603	47.1
97.10168	9.6
105.07027	34.0
107.08592	20.8
109.10142	21.3
111.11734	8.6
117.07048	12.6
119.08603	16.3
121.10153	12.2
123.11711	10.0
125.13246	5.1
129.07036	5.4
131.08531	19.4
131.26665	3.2
133.10144	36.0
135.11690	8.2
137.13245	4.1
143.08589	6.5
145.10118	51.7
147.11720	25.9
149.13219	7.7
154.32179	3.1
157.10130	11.7
159.11700	37.4
161.13300	9.5
163.14885	4.1
173.13254	15.9
185.13188	6.3
187.14790	8.8
193.58026	3.5
199.14835	11.5
201.16443	4.5
213.16406	7.3
217.63585	3.2
227.17906	3.4
255.21120	7.1
395.20190	4.6
395.36810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.3309
Annotation	24(28)-Dehydroergosterol
Peak:m/z	Relative Intensity
53.03932	1.8
54.67744	1.4
55.05518	9.3
57.07064	4.3
67.05502	16.0
69.07069	21.0
79.05486	19.7
81.07058	49.0
82.34570	1.2
83.04984	1.7
83.08635	6.9
91.05489	19.5
93.07047	42.3
95.04961	4.6
95.08607	76.6
96.08946	1.4
97.10174	4.4
105.07032	41.1
107.08596	64.6
109.06511	3.1
109.10159	33.5
111.08099	2.4
111.11758	1.4
117.07034	4.8
119.08581	43.5
121.10148	48.0
123.08092	3.9
123.11718	10.3
125.09615	1.7
129.07004	2.6
131.08578	15.1
133.10129	35.0
135.08060	2.9
135.11688	18.8
137.09633	6.0
137.13246	2.2
141.06960	1.7
142.07768	1.7
143.08565	7.4
144.09372	1.4
145.10126	27.6
147.11691	25.2
149.09634	5.9
149.13263	44.8
155.08511	1.6
157.10164	8.5
158.10765	3.1
159.11700	19.4
160.12115	1.9
161.09650	4.7
161.13278	17.5
163.11131	1.8
163.14825	50.8
169.10168	3.8
171.11662	7.0
173.13271	12.5
175.11298	2.0
175.14835	26.7
177.16391	28.3
183.11707	3.3
185.13304	6.0
187.14825	42.3
188.11528	1.6
189.12798	2.4
189.16388	50.8
191.14340	2.0
191.17906	10.8
193.15988	2.2
197.13261	2.6
199.14801	6.1
201.16411	18.4
203.14560	2.0
203.17969	20.5
205.15874	10.4
211.14848	2.9
213.16385	7.0
215.17935	20.3
217.15968	9.7
219.17509	7.6
221.19016	2.3
225.16397	3.8
227.17972	4.8
229.19560	6.7
231.17383	3.8
233.18996	1.5
239.18011	4.1
241.19559	4.8
243.21172	1.3
245.19061	3.3
251.17998	1.6
253.19508	2.4
255.21182	2.4
267.21164	2.0
271.20630	4.4
281.22711	3.2
295.24210	2.3
309.25772	2.4
321.25705	1.8
337.28842	2.0
377.31995	16.5
395.33163	100.0
396.33472	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	395.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77443	1.6
53.03954	2.4
55.05506	10.0
57.07064	2.2
59.57837	1.7
65.37986	1.6
67.05511	19.3
69.07066	12.5
71.61119	3.7
74.01930	1.8
79.05495	21.1
81.07058	37.4
83.08637	3.5
91.05473	18.1
93.07051	32.9
95.04940	3.2
95.08606	38.6
105.07038	51.9
106.07370	2.0
107.08599	45.7
107.09278	3.3
109.06546	2.4
109.10178	18.3
117.07035	9.0
119.08589	53.0
119.09447	3.1
121.10159	18.1
123.11742	5.7
128.06319	1.8
129.07021	4.0
131.08577	18.2
133.10133	40.7
135.11694	23.8
135.12538	2.1
137.13338	1.8
141.07034	2.4
143.08612	8.4
144.09370	4.6
145.10124	31.9
145.11118	2.6
147.11676	27.7
147.12766	2.5
149.13293	19.2
149.78494	1.7
153.09155	3.0
155.08626	3.7
157.10121	10.0
159.11691	58.8
161.09563	1.8
161.13258	57.8
161.14545	4.0
163.14824	12.1
169.10098	4.1
171.11604	11.3
173.13242	19.3
175.14821	19.4
175.15974	1.6
177.10620	2.0
177.16524	3.4
183.11728	7.2
185.13290	6.2
187.11357	1.8
187.14825	14.8
189.16388	15.5
197.13356	6.4
199.14911	6.4
201.16400	21.4
203.17978	9.9
211.14896	3.6
213.16306	10.2
215.17975	9.5
220.94633	2.3
225.16522	6.2
227.18066	7.6
237.16826	2.1
239.17958	7.8
241.19499	13.1
245.15331	3.4
247.17079	7.8
253.19510	14.2
259.17050	5.6
261.18649	3.8
267.21228	3.2
269.22723	2.0
271.17154	2.2
279.21103	4.6
285.18610	7.0
287.20306	3.5
299.20349	2.3
301.21579	2.5
307.24203	2.6
313.21704	4.1
349.28864	38.8
349.32916	2.0
350.29611	2.6
377.28448	2.5
395.21158	4.5
395.29416	100.0
396.29810	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	395.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	9.8
57.07067	2.7
65.03934	2.2
67.05166	2.4
67.05501	19.5
69.07065	17.2
71.62171	3.4
77.03916	2.2
79.05489	28.5
81.07057	50.3
83.08601	7.5
84.47522	1.9
86.09177	1.8
91.05479	26.9
93.07051	42.8
95.04969	4.0
95.08610	65.2
97.10158	2.1
105.07034	81.6
107.08591	71.8
109.06515	3.0
109.10158	30.6
111.08011	2.8
115.05429	3.1
117.07025	14.7
119.08581	80.0
121.06553	8.9
121.10142	34.1
123.08069	3.8
123.11686	10.5
128.06216	2.1
129.06976	5.8
130.07776	3.1
131.08574	32.6
133.10130	60.2
135.08032	4.5
135.11694	32.6
137.13193	3.7
143.08524	8.5
144.09326	9.8
145.10132	32.6
147.08043	17.0
147.11693	49.4
148.11980	1.9
149.09616	3.0
149.13271	23.9
153.09050	4.8
155.08501	3.8
157.10129	12.3
159.11694	100.0
160.12148	2.8
161.09627	39.9
161.13254	89.4
162.13490	2.9
163.11133	4.3
163.14825	12.0
169.10100	3.4
171.11720	11.8
173.13268	24.6
175.11150	6.4
175.13751	1.6
175.14854	18.6
177.09126	3.0
177.16399	12.0
183.11638	6.7
185.13164	6.9
187.14796	17.4
189.12735	20.5
189.16376	41.9
189.31897	1.8
191.14302	9.4
191.17966	11.2
194.77087	2.3
197.13170	7.0
199.14716	6.6
201.16385	22.2
203.14297	4.2
203.17931	26.3
205.19475	2.4
211.14818	3.3
213.16324	8.0
215.17966	12.8
225.16356	4.0
227.17871	8.0
229.15845	2.5
231.17393	2.9
235.16869	6.3
237.16176	1.8
239.17867	4.9
241.19377	6.4
247.16977	10.9
253.19539	11.7
255.21007	5.5
259.16763	2.3
259.20712	2.1
261.18433	6.9
267.21082	5.3
269.22653	2.0
279.20972	2.1
281.22440	2.8
285.18372	3.6
287.20081	5.1
293.22437	3.9
299.19855	4.0
299.23502	2.7
301.21448	2.7
307.24036	2.8
313.21503	3.1
349.28900	31.3
354.68848	2.9
363.19193	3.8
363.69528	2.7
367.29752	4.5
377.32150	3.8
395.20993	3.5
395.29211	91.9
395.33029	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	395.2943
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.05507	15.4
57.07071	2.3
67.05504	23.7
69.03426	2.0
69.07075	18.4
70.50003	2.7
79.05109	2.2
79.05494	25.8
81.03411	2.8
81.07063	48.2
83.04951	1.9
83.08629	9.8
91.05476	24.8
93.07050	45.7
95.04958	3.8
95.08610	73.4
97.06533	1.9
97.10130	4.5
105.07033	91.4
107.08595	65.2
109.06530	2.3
109.10170	31.1
111.08048	4.1
111.11761	2.0
115.05494	3.0
117.07030	12.8
119.08587	92.8
121.06507	19.0
121.10156	37.6
123.08050	5.8
123.11735	9.5
123.12463	1.8
125.15611	1.6
129.06985	5.6
130.07796	3.6
131.08562	27.2
133.10135	56.4
135.08044	6.2
135.11696	27.6
137.09595	2.9
137.13226	3.0
141.06923	2.3
142.07745	2.1
143.08540	8.5
144.09367	9.0
145.06432	2.7
145.10127	32.9
146.07248	2.9
146.10904	1.8
147.08043	28.5
147.11694	54.6
149.09627	4.4
149.12158	2.3
149.13266	31.0
153.09113	5.3
155.08588	2.7
157.10138	11.8
159.08034	3.6
159.11699	100.0
160.08815	2.2
161.08273	2.8
161.09630	67.7
161.13263	97.9
162.13602	2.9
163.07510	2.0
163.11179	5.5
163.14833	14.3
165.09209	3.1
165.16376	1.7
169.10092	3.6
171.11650	9.8
172.12378	1.9
173.13260	27.2
175.11224	8.8
175.14803	24.1
177.16386	15.0
179.10663	2.1
182.44067	1.6
183.11682	3.1
185.13281	5.7
187.14850	20.1
189.12762	31.7
189.16382	56.0
191.14339	14.9
191.17990	10.9
197.13254	2.9
199.14833	5.7
201.16406	23.6
203.14284	3.8
203.17973	31.1
205.15880	3.2
205.19447	3.4
211.14809	6.0
213.16354	6.1
215.14372	2.3
215.17935	8.0
217.15903	3.4
221.19081	2.1
225.16301	4.0
227.17824	6.4
229.15833	3.8
229.19481	3.2
231.17313	3.3
233.15425	2.0
235.16910	6.5
241.19472	4.2
247.16980	8.7
249.18683	3.3
253.19511	9.3
259.16794	1.8
261.18536	4.9
267.21005	2.7
269.22491	2.3
271.20474	2.8
285.18475	2.4
287.20020	1.9
293.22687	2.2
299.20212	2.1
299.23764	4.3
307.24350	2.1
308.09149	2.2
325.24969	1.8
336.08493	3.4
349.28909	24.1
353.24890	3.2
354.09784	14.6
358.40158	1.6
367.29971	3.1
377.31842	5.8
378.09772	2.3
395.20474	9.7
395.29346	77.6
395.33313	27.0
396.10876	28.4
396.29443	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	395.2046
Annotation	Gly Arg Tyr
Peak:m/z	Relative Intensity
54.00936	0.5
55.05504	1.4
56.96557	1.5
61.81776	0.5
64.49532	0.6
67.05486	1.6
69.03414	2.0
69.07050	1.4
70.06580	1.4
71.04988	0.7
71.09860	1.2
79.05479	1.6
79.88066	0.7
81.03419	1.2
81.07050	1.9
83.04984	0.9
83.08600	0.8
85.02901	3.3
85.06506	0.6
91.05486	2.5
93.07046	1.4
95.04960	1.2
95.08589	2.5
98.97578	2.4
105.07027	2.6
107.08592	1.8
109.02884	1.7
109.06532	0.8
109.10149	1.4
110.97597	0.8
113.14196	0.6
116.98629	1.4
117.07021	1.0
119.08566	2.4
121.10109	1.4
127.03901	0.8
129.06966	1.1
131.08565	1.2
133.10095	2.1
135.04462	1.5
135.08084	0.5
137.05968	1.8
137.09592	1.1
143.08539	0.8
145.02838	0.8
145.10115	1.8
147.04391	0.7
147.11725	1.1
151.07578	0.8
153.01831	0.7
158.99677	0.7
159.08128	0.7
159.11745	0.8
173.09618	1.0
173.13268	1.1
175.11192	0.8
189.09129	1.4
233.11613	0.9
233.15295	1.4
241.11125	0.7
271.12146	1.2
337.03748	0.7
339.01208	0.8
378.06140	3.2
395.20422	100.0
396.07169	4.7
396.21054	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.2278
Annotation	JBIR-56
Peak:m/z	Relative Intensity
55.01914	1.3
55.05523	3.0
56.96571	3.1
59.05003	5.6
65.05902	1.7
67.05505	2.7
69.03447	7.0
69.07067	8.8
70.06624	2.5
70.29716	6.3
71.05014	2.0
79.05494	2.4
81.03401	2.8
81.07078	4.6
83.04981	1.6
85.02903	8.1
85.06557	1.4
87.04491	1.8
91.05515	5.7
93.07050	3.5
95.04980	2.5
95.08657	3.5
97.02880	3.6
98.97610	5.7
105.07037	3.7
107.08618	3.2
109.02903	3.3
109.06557	3.0
109.10170	1.8
111.11742	2.2
116.98672	2.0
119.08598	2.6
121.10191	2.5
124.07665	1.6
125.09673	1.9
127.03979	4.9
129.07031	1.8
129.12791	2.5
131.08614	2.4
133.10132	2.3
135.08070	1.6
137.06006	2.5
137.79053	1.3
145.10204	2.2
147.04451	3.3
149.09653	1.4
153.01884	2.1
157.10217	1.6
159.08122	1.6
161.06052	1.5
166.08704	1.7
172.06445	2.3
201.09325	1.7
202.07509	2.0
215.08342	3.4
215.14473	1.8
233.09288	26.2
233.11438	2.2
237.02927	2.4
287.05527	10.5
299.10446	1.7
370.73651	1.4
395.16953	7.5
395.20651	100.0
396.21097	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	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04967	1.5
78.20506	0.6
79.48528	0.5
93.90881	0.6
97.04871	0.6
139.18747	0.5
178.66002	0.6
185.04237	4.4
194.80956	0.6
212.55063	0.6
217.04677	0.8
232.07069	11.4
232.09373	0.7
233.07869	9.3
261.95483	0.6
364.11270	1.5
365.11984	1.0
395.13138	100.0
396.13437	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07885	0.7
60.00539	0.6
68.88116	0.6
69.03432	0.7
69.50721	0.7
69.69127	4.6
87.70655	0.7
98.21382	0.9
185.04216	4.9
186.44800	0.7
196.06033	0.7
217.04721	1.4
232.07098	11.7
233.07858	9.9
233.09990	1.4
236.96187	0.7
358.92212	0.7
364.11407	2.5
379.43103	0.7
395.13135	100.0
396.13705	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42251	0.7
56.96544	0.7
63.29254	0.6
65.60064	0.7
69.86483	2.4
69.86887	1.1
77.77359	0.6
85.02903	0.8
91.05477	0.7
101.90186	0.7
111.43531	0.7
113.95088	0.6
153.01906	0.6
185.04251	4.7
215.09081	1.1
217.04779	1.0
232.07098	5.9
232.09712	4.3
233.07860	11.3
233.10077	6.7
364.11295	0.8
395.13162	100.0
396.13544	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1318
Annotation	Jasmolactone B
Peak:m/z	Relative Intensity
56.96566	2.2
58.93607	0.8
64.94337	0.7
69.51404	2.1
69.51834	3.7
70.06585	1.1
70.60213	0.7
71.04978	0.9
74.06069	0.9
81.03434	1.1
84.08165	1.0
85.02893	2.3
98.21487	1.7
98.97580	1.6
100.99181	1.0
109.02856	0.8
119.00194	1.2
127.03897	1.4
153.01776	4.1
187.09496	1.7
189.04349	1.2
207.05461	1.4
219.01923	1.0
232.09724	2.2
233.04428	1.8
233.07129	1.2
233.09970	3.0
234.11404	1.5
244.55217	0.9
251.08124	2.0
266.35153	0.9
310.49716	0.8
377.20181	1.2
395.13147	100.0
396.13339	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	13.6
56.96564	2.6
57.03429	3.9
60.83224	2.0
61.02926	3.0
62.47405	2.0
67.05501	15.9
69.03432	6.2
69.07071	13.0
71.04985	4.1
73.50247	2.2
79.05489	8.1
81.03401	2.8
81.07062	47.3
83.05001	4.8
83.08622	12.2
85.02901	26.8
85.06541	7.1
91.05494	13.1
93.07045	14.8
95.08610	60.2
97.02877	6.3
97.06546	9.8
97.10149	4.0
98.19490	1.8
98.21510	4.3
98.97616	3.0
99.04455	1.9
99.08092	6.0
105.07042	17.3
107.08591	6.7
109.02880	2.4
109.06511	3.1
109.10157	3.3
110.09701	3.5
111.08120	3.0
113.09606	4.2
119.08584	26.3
121.10142	9.9
123.08092	5.9
127.03975	3.2
130.02007	2.1
133.10126	21.0
135.11694	15.3
137.05972	2.6
137.09612	5.4
137.13261	11.7
145.10118	2.3
153.01808	2.8
158.99774	2.1
161.13263	79.0
179.14320	100.0
195.07784	1.9
197.15385	35.3
206.44647	2.0
215.16417	6.1
233.15810	2.1
255.08984	2.1
266.15277	2.5
271.45248	1.9
394.19492	3.0
395.20685	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	393.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.05505	9.2
57.07062	4.1
65.03939	1.4
67.05507	17.9
69.07067	16.7
70.88952	1.9
70.89272	2.0
71.08637	1.6
79.05495	9.8
81.07059	43.5
83.08633	6.6
89.06021	1.2
91.05499	7.1
91.63369	1.3
93.07044	20.9
95.08607	63.4
97.10156	5.0
105.07034	18.5
107.08598	30.5
107.87029	1.5
109.10155	34.8
111.11721	3.0
117.07020	4.0
119.08578	26.0
121.10144	28.5
123.11716	17.8
129.06989	1.7
131.08607	10.8
133.10138	19.3
135.11699	18.7
137.13234	8.4
140.93097	1.3
143.08530	4.5
145.10130	18.1
147.11685	16.9
149.13261	13.4
151.07565	1.4
151.14807	4.4
157.10138	8.4
159.11676	17.7
161.13274	12.8
163.14821	8.9
171.11714	9.2
172.12346	1.6
173.13255	13.6
175.14828	8.4
177.16376	11.2
183.11775	1.4
185.13277	6.5
187.14839	13.5
189.16365	9.1
191.17923	3.7
197.13324	2.3
199.14908	6.0
201.16397	14.2
203.17955	12.1
213.16347	4.5
215.17987	12.2
217.19414	5.9
227.17938	7.8
229.19511	7.9
231.21065	4.0
239.17981	1.4
241.19521	7.2
243.21069	13.0
244.32402	1.3
245.22855	1.9
255.21054	11.9
257.22668	5.3
267.21338	1.6
269.22623	13.0
271.24179	2.1
283.21207	1.2
283.24182	4.9
295.24139	1.8
297.25763	5.0
323.27432	4.0
337.29004	2.9
351.30609	3.1
393.30551	3.5
393.35153	100.0
394.35519	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.05519	24.4
57.07085	33.5
62.32475	3.6
62.97776	3.5
65.03927	3.7
66.17906	4.3
67.05502	49.4
69.07071	27.0
69.94565	16.6
71.08225	3.6
71.08624	16.0
72.67883	4.4
79.05498	43.3
81.07063	85.7
83.04988	6.3
83.08614	16.2
85.06574	5.9
85.10178	8.1
91.05482	61.0
93.07050	86.8
95.04965	64.3
95.08613	82.4
97.06530	10.6
97.10200	8.8
98.98460	26.4
105.06367	7.4
105.07033	97.2
107.08599	73.2
107.09285	7.5
109.06510	20.5
109.10168	49.9
110.71674	3.7
111.08086	4.8
115.05487	4.4
116.06219	6.4
117.07028	26.7
119.08591	100.0
121.06512	26.7
121.10149	41.3
123.08089	8.1
123.11723	18.5
128.06209	7.5
129.07018	19.3
130.07733	4.5
131.08565	44.4
133.10141	57.2
135.08028	8.1
135.11685	31.6
141.07008	5.1
142.07782	32.4
143.08580	37.3
144.09378	6.5
145.10123	65.2
147.11713	27.3
149.09598	8.7
149.13263	9.8
155.01059	47.4
155.08563	8.6
156.09337	15.8
157.10138	55.4
158.10886	11.9
159.08032	5.3
159.11708	51.6
161.09602	23.2
161.13249	13.9
163.11226	7.0
163.14825	7.7
168.09404	6.8
169.10121	22.9
171.11723	27.6
173.09645	4.6
173.13287	28.2
175.11159	15.6
175.14827	16.7
179.08595	8.8
181.10133	9.8
182.10838	5.8
183.11740	22.7
184.12346	4.1
185.13266	13.9
187.11168	8.4
187.14812	14.4
189.16309	7.9
193.10143	7.6
195.11713	15.0
196.12508	5.2
197.13269	17.6
199.14815	12.0
201.16420	12.1
207.11774	9.6
209.13254	15.4
211.14864	12.3
213.16383	8.4
215.17976	6.3
217.15863	4.1
221.13284	5.5
223.14842	9.2
225.16484	6.5
239.18024	5.9
241.19632	7.9
255.17728	4.1
265.19504	5.2
267.21185	5.1
361.27484	6.9
375.26810	7.6
393.27859	16.3
393.35403	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	393.2787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.5
55.05519	24.4
57.07085	33.5
62.32475	3.6
62.97776	3.5
65.03927	3.7
66.17906	4.3
67.05502	49.4
69.07071	27.0
69.94565	16.6
71.08225	3.6
71.08624	16.0
72.67883	4.4
79.05498	43.3
81.07063	85.7
83.04988	6.3
83.08614	16.2
85.06574	5.9
85.10178	8.1
91.05482	61.0
93.07050	86.8
95.04965	64.3
95.08613	82.4
97.06530	10.6
97.10200	8.8
98.98460	26.4
105.06367	7.4
105.07033	97.2
107.08599	73.2
107.09285	7.5
109.06510	20.5
109.10168	49.9
110.71674	3.7
111.08086	4.8
115.05487	4.4
116.06219	6.4
117.07028	26.7
119.08591	100.0
121.06512	26.7
121.10149	41.3
123.08089	8.1
123.11723	18.5
128.06209	7.5
129.07018	19.3
130.07733	4.5
131.08565	44.4
133.10141	57.2
135.08028	8.1
135.11685	31.6
141.07008	5.1
142.07782	32.4
143.08580	37.3
144.09378	6.5
145.10123	65.2
147.11713	27.3
149.09598	8.7
149.13263	9.8
155.01059	47.4
155.08563	8.6
156.09337	15.8
157.10138	55.4
158.10886	11.9
159.08032	5.3
159.11708	51.6
161.09602	23.2
161.13249	13.9
163.11226	7.0
163.14825	7.7
168.09404	6.8
169.10121	22.9
171.11723	27.6
173.09645	4.6
173.13287	28.2
175.11159	15.6
175.14827	16.7
179.08595	8.8
181.10133	9.8
182.10838	5.8
183.11740	22.7
184.12346	4.1
185.13266	13.9
187.11168	8.4
187.14812	14.4
189.16309	7.9
193.10143	7.6
195.11713	15.0
196.12508	5.2
197.13269	17.6
199.14815	12.0
201.16420	12.1
207.11774	9.6
209.13254	15.4
211.14864	12.3
213.16383	8.4
215.17976	6.3
217.15863	4.1
221.13284	5.5
223.14842	9.2
225.16484	6.5
239.18024	5.9
241.19632	7.9
255.17728	4.1
265.19504	5.2
267.21185	5.1
361.27484	6.9
375.26810	7.6
393.27859	16.3
393.35403	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	393.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
56.96574	0.7
59.74300	0.5
67.05482	2.1
69.03433	13.0
69.07061	1.8
71.04975	2.2
71.30878	0.9
76.16005	0.5
79.05469	1.0
81.03419	0.6
81.07028	1.4
83.04975	1.1
83.64075	0.6
85.02891	1.0
87.04510	0.6
91.05475	1.5
93.07025	1.0
95.08601	0.6
97.02932	1.1
98.09649	0.8
98.97577	2.3
105.07049	2.2
105.48261	0.5
107.04910	0.6
107.08591	1.6
108.42102	0.5
109.10184	1.0
116.98630	0.9
119.08593	1.6
121.06535	0.6
121.10173	1.5
123.08054	0.5
123.35161	0.6
126.20557	0.6
127.03908	2.4
127.11245	0.6
131.04948	0.8
135.08058	9.4
137.05988	1.2
139.95927	0.7
145.10097	0.6
147.04446	0.6
147.11613	0.7
153.01891	1.1
157.10156	0.6
158.99770	0.7
161.09644	0.7
173.13319	0.7
177.09166	0.7
203.05298	6.5
208.56148	0.5
213.12514	4.3
231.10037	2.5
231.13734	0.8
297.07605	1.2
393.18832	100.0
394.19153	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	393.1887
Annotation	Met Arg Ser
Peak:m/z	Relative Intensity
55.05508	0.9
56.96574	0.9
60.48742	0.6
60.78689	0.5
65.00751	0.6
67.05496	1.2
69.03439	0.6
69.07053	0.7
71.62030	0.8
81.03398	1.4
81.07053	1.8
82.75464	0.5
83.04934	0.6
83.63465	0.6
85.02940	0.8
91.05468	0.8
93.07039	1.1
95.04971	0.8
95.08595	1.3
98.97596	0.8
105.07047	1.2
107.08585	1.9
107.89511	0.6
109.02860	0.7
109.06517	0.8
109.10146	0.9
119.08572	1.2
121.10128	0.8
127.03905	1.4
131.04918	1.1
133.10080	1.3
143.08499	1.0
145.10143	0.8
147.04491	0.6
147.08057	1.8
151.03842	0.8
157.10106	0.7
159.11696	0.8
168.70479	0.6
175.07562	0.7
203.05269	22.6
213.12576	2.7
231.13696	1.0
249.15178	0.6
379.88690	0.7
393.18854	100.0
394.19061	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	393.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.8
56.96569	1.0
67.05496	1.7
69.03065	0.8
69.03433	13.3
69.07057	1.1
69.87508	0.4
70.04382	1.0
70.04779	1.0
71.04984	1.6
79.05479	1.0
81.03410	1.0
81.07049	1.3
83.04988	0.6
85.02908	1.0
85.06512	0.7
91.05467	1.3
93.07040	1.6
95.04977	0.7
95.08614	0.9
95.59492	0.4
97.02866	0.9
97.06482	0.4
98.21468	0.6
98.97601	2.1
105.07028	1.8
107.08595	1.2
109.02895	1.1
109.10152	1.1
110.94458	0.4
116.98612	0.6
119.04945	0.5
119.08565	1.6
121.06541	0.9
121.10149	1.8
125.09647	0.5
127.03926	1.6
128.06197	0.5
131.04922	0.9
131.08549	0.8
133.10147	0.6
135.08060	9.5
137.05995	0.8
143.08609	0.5
145.06519	0.4
145.10159	0.6
147.04436	0.9
147.11708	0.6
159.11771	0.4
161.13313	0.5
163.14780	0.5
167.07019	0.5
173.13225	0.6
175.07492	0.5
177.00642	0.6
177.09134	0.5
185.04135	0.4
187.14922	0.5
189.12735	0.5
191.07054	0.4
203.05267	7.1
203.07053	0.5
203.14322	0.5
213.12505	3.6
219.01920	0.8
231.09923	2.6
231.13734	0.7
237.02779	0.6
260.09659	0.5
279.08670	0.6
288.41605	0.5
297.07617	0.5
363.88980	0.4
393.18857	100.0
394.19794	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28527	2.6
53.03940	5.7
55.01859	3.9
55.05517	18.4
57.03434	3.6
57.07061	8.7
65.03933	3.8
67.05513	31.1
69.03446	3.5
69.07063	21.7
70.19521	10.9
79.05503	28.4
81.07056	72.6
83.04984	3.5
83.08602	8.7
85.06570	4.0
87.34535	2.5
91.04951	4.5
91.05482	51.3
93.07047	73.9
95.04974	57.9
95.08610	53.5
97.06517	13.4
97.10156	3.1
103.05455	6.8
105.04495	3.4
105.07036	88.1
107.04936	3.5
107.08594	52.9
109.06506	17.4
109.10152	27.4
111.08031	5.5
115.05421	4.4
117.07044	20.7
119.08587	100.0
121.06522	20.1
121.10159	38.1
123.08065	8.1
123.11708	11.2
128.06232	11.6
129.07040	12.9
130.07797	7.6
130.12517	2.8
131.08583	43.8
133.06496	3.4
133.10141	50.8
135.08098	5.9
135.11714	20.1
141.07004	8.9
142.07803	25.2
143.08571	36.9
144.09308	5.6
145.10127	59.9
147.08116	3.2
147.11676	21.6
149.09634	3.8
149.13266	6.2
153.06923	4.0
155.01134	3.0
155.08557	14.8
156.09319	14.9
157.10130	56.1
158.10902	5.2
159.08081	5.8
159.11708	39.2
161.09628	19.6
161.13249	8.2
163.11078	6.1
167.08591	10.7
168.09322	5.4
169.10156	20.0
170.10876	6.7
171.11722	27.4
172.12497	4.2
173.09654	4.4
173.13263	21.3
175.07455	3.3
175.11162	10.4
175.14850	14.8
179.08563	8.3
181.10115	11.5
182.10863	6.8
183.11673	18.2
185.13295	14.7
187.11113	7.4
187.13019	2.6
187.14729	12.6
193.10106	8.9
194.10979	4.0
195.11665	15.1
196.12505	3.7
197.13232	12.2
199.14809	9.5
201.16411	11.2
206.10942	4.2
207.11682	7.3
209.13252	10.3
211.11249	3.8
211.14780	9.8
213.12694	4.4
213.16406	3.7
221.13126	4.4
223.14755	8.8
225.16391	5.7
227.14099	3.5
235.14659	5.9
239.14270	3.7
241.19550	4.0
253.15836	3.9
253.19664	3.6
263.17813	3.0
283.20505	2.9
393.27737	11.3
393.35254	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	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05006	1.9
70.01807	1.4
70.02212	0.8
70.06567	0.6
71.18291	0.4
79.05448	0.4
125.06005	0.9
126.07049	0.4
130.05037	0.5
130.43591	0.4
136.17278	0.4
140.03406	0.7
149.04579	0.7
151.03909	2.0
153.45668	0.5
161.16216	0.4
161.62669	0.4
166.07219	0.6
172.06036	0.9
179.07024	0.5
197.08086	1.3
201.06456	1.3
202.07231	1.8
203.08025	1.7
204.08829	7.3
215.07950	1.5
216.08809	100.0
217.09500	2.9
218.10341	4.8
225.04266	0.5
225.06451	9.8
226.07225	3.5
227.08055	1.5
228.08821	0.6
229.09653	0.8
230.10374	8.6
240.08810	52.3
241.09532	2.1
242.10452	0.7
246.09862	6.5
255.09871	0.7
258.09772	3.1
268.08328	4.6
272.11453	3.9
283.09341	1.6
286.09512	0.5
300.10913	49.5
301.11343	1.2
311.09036	1.1
315.12088	0.5
333.13019	3.3
343.11411	2.3
361.12631	5.3
375.14151	4.2
393.15179	25.0
394.15454	0.7
406.94577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05006	1.9
70.01807	1.4
70.02212	0.8
70.06567	0.6
71.18291	0.4
79.05448	0.4
125.06005	0.9
126.07049	0.4
130.05037	0.5
130.43591	0.4
136.17278	0.4
140.03406	0.7
149.04579	0.7
151.03909	2.0
153.45668	0.5
161.16216	0.4
161.62669	0.4
166.07219	0.6
172.06036	0.9
179.07024	0.5
197.08086	1.3
201.06456	1.3
202.07231	1.8
203.08025	1.7
204.08829	7.3
215.07950	1.5
216.08809	100.0
217.09500	2.9
218.10341	4.8
225.04266	0.5
225.06451	9.8
226.07225	3.5
227.08055	1.5
228.08821	0.6
229.09653	0.8
230.10374	8.6
240.08810	52.3
241.09532	2.1
242.10452	0.7
246.09862	6.5
255.09871	0.7
258.09772	3.1
268.08328	4.6
272.11453	3.9
283.09341	1.6
286.09512	0.5
300.10913	49.5
301.11343	1.2
311.09036	1.1
315.12088	0.5
333.13019	3.3
343.11411	2.3
361.12631	5.3
375.14151	4.2
393.15179	25.0
394.15454	0.7
406.94577	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.05505	1.3
57.03433	9.1
59.67964	1.0
61.02937	2.2
67.05502	2.9
67.50571	0.8
69.03059	1.3
69.03432	15.0
69.07061	2.6
71.01353	2.5
71.04986	3.5
71.61201	1.3
73.02921	4.9
74.19867	0.9
74.74764	0.8
75.04476	2.5
81.03412	6.1
81.07047	2.0
85.02911	2.6
86.09696	1.2
91.05505	1.5
95.08647	0.8
97.02834	1.4
97.10168	0.9
98.97602	2.3
99.04471	5.7
109.10161	4.6
117.05542	1.0
125.05998	3.8
127.03968	3.4
127.11217	3.3
135.11726	1.0
135.96506	0.9
137.06007	2.4
138.30351	1.0
151.03963	6.2
156.05716	1.6
160.08723	1.2
161.07101	3.8
163.03864	0.9
165.06686	0.9
169.69933	0.9
173.05901	1.0
179.07074	1.9
188.08199	23.6
188.09767	1.8
190.09840	1.4
197.08124	3.6
214.06067	5.5
216.07370	5.0
217.08598	4.3
218.10666	1.1
219.08914	0.9
221.07365	1.0
232.07175	11.4
234.08644	2.2
240.09085	3.0
259.08273	58.2
260.06506	1.1
300.10825	2.2
333.16324	1.1
345.12192	1.2
352.15347	1.0
367.51349	1.0
375.12958	4.0
393.14075	100.0
394.14597	3.3
407.26126	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85773	0.2
69.03412	0.4
69.87806	0.8
75.85903	0.2
81.07057	0.2
85.02894	0.5
86.09727	0.2
87.04450	0.2
97.02862	0.2
117.05731	0.2
121.02874	0.3
130.06528	0.6
131.07286	1.7
132.08131	0.2
144.02083	0.6
145.05099	0.3
149.02454	0.2
158.93289	0.2
159.06816	1.9
160.07573	84.3
161.07930	1.2
167.09021	0.2
174.04097	0.3
174.05493	3.2
177.09088	0.2
184.07553	0.5
186.05495	1.1
195.10217	0.4
202.08603	2.9
212.07205	0.4
213.11209	0.4
230.08116	100.0
231.08504	1.9
258.70905	0.2
392.13269	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	392.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00476	1.0
56.96564	1.5
57.03433	1.6
67.05509	1.7
69.03426	3.5
69.83746	5.7
70.06596	1.3
71.04959	1.0
72.08138	1.1
75.68671	0.9
78.75610	1.0
81.03410	2.1
81.07037	1.3
82.06597	1.3
84.04526	1.1
84.08162	1.4
85.02903	6.4
85.06563	1.4
86.09695	2.1
90.21412	1.1
91.05498	1.7
94.06586	2.5
95.04964	2.0
96.08125	1.2
97.02880	3.0
98.20724	1.3
98.97637	1.1
105.07050	1.2
107.08548	1.0
108.08066	1.9
109.02862	1.3
109.06501	1.9
110.06038	3.0
110.09691	1.4
111.08049	1.4
112.07593	1.2
113.05984	2.2
116.01586	1.1
117.03732	1.5
121.06477	1.2
122.06018	8.5
122.09696	1.7
123.08015	1.1
124.07565	2.8
127.03879	2.4
131.08568	1.5
134.09637	1.4
135.08084	1.9
136.07568	2.8
138.09154	5.1
139.07510	1.9
140.07082	12.7
142.08609	1.5
147.08029	4.4
148.11223	2.9
149.02350	3.5
149.09575	2.3
150.02634	1.3
150.09134	1.8
153.01796	1.9
154.08629	16.5
156.10210	1.4
166.12280	5.9
167.07104	1.4
167.10646	3.4
168.10214	1.1
176.10703	3.3
177.09192	1.8
193.87657	0.9
194.11777	12.8
195.09944	1.4
212.12791	9.8
230.13873	100.0
231.14302	2.2
245.09641	1.6
307.01285	1.6
325.01987	2.5
369.01419	1.8
387.02496	1.6
392.19785	6.3
393.17593	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10579	2.1
55.05511	8.3
57.07071	5.5
67.05505	7.9
69.07069	10.2
71.08640	6.0
71.62270	3.3
79.05486	7.7
81.07058	23.6
82.69046	2.2
83.08631	5.3
89.06031	16.0
91.05481	8.2
93.07059	21.0
95.08606	39.0
97.10181	4.2
104.85383	2.7
105.07029	16.5
107.08598	21.6
109.10168	21.6
117.07050	4.0
119.08583	23.7
121.10146	23.7
123.11716	16.4
130.07761	2.4
131.08580	12.6
133.08617	8.7
133.10153	10.0
135.11729	12.1
137.06294	2.4
137.13231	3.8
142.07825	2.8
143.08566	10.3
145.10121	50.9
147.11673	5.9
149.02367	23.8
149.13268	10.9
150.74234	2.3
155.08560	3.1
156.09419	3.5
157.10182	19.9
159.11732	20.2
161.13293	12.9
163.14859	12.5
169.10179	3.5
171.11699	10.0
173.13255	6.6
175.14816	9.3
177.16377	4.3
183.11629	5.6
185.13306	12.9
187.14833	77.5
189.16345	7.5
191.17957	25.8
195.12263	12.1
197.13280	5.0
199.14812	10.9
201.16370	33.8
203.17947	7.0
211.14832	4.2
213.16389	8.9
215.17990	5.3
217.19566	5.3
225.16426	5.2
227.17995	7.2
229.19485	10.3
239.17993	6.7
241.19556	4.2
243.21268	2.6
253.19496	11.8
255.21078	3.5
263.89642	2.7
267.21091	7.6
281.22659	4.0
295.24197	5.6
321.25790	5.4
335.27069	2.6
391.33575	100.0
392.34027	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	391.194
Annotation	Arg Glu Ser
Peak:m/z	Relative Intensity
71.53061	0.6
76.16911	0.3
91.05460	0.8
109.02924	0.3
137.05998	0.7
149.02374	1.0
150.69833	0.4
151.03966	0.3
181.05090	0.4
181.56992	0.3
194.01871	0.4
197.06905	0.3
206.72028	0.3
214.80780	0.3
229.14101	6.7
260.45792	0.3
340.37234	0.4
391.19394	100.0
392.19733	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
53.16680	0.6
55.05487	3.2
56.70183	0.6
57.07038	1.2
65.03915	0.7
67.05500	3.7
69.07058	1.8
70.99886	1.1
71.08622	1.1
78.04693	0.7
79.05495	4.4
81.07051	6.4
82.06583	1.1
83.04964	0.8
83.08605	3.4
91.05449	4.4
93.07047	4.2
95.04945	3.4
95.08623	4.2
105.07053	3.7
107.04938	2.4
107.08601	4.5
109.06522	4.6
109.10141	2.7
117.06963	1.3
117.45646	0.6
119.08587	3.4
121.02875	0.9
121.06535	3.2
121.10121	2.2
123.04411	1.5
123.08057	1.4
128.98505	0.8
131.08549	2.1
133.10143	1.2
135.04370	1.9
135.08037	1.3
135.11661	1.3
136.05182	2.2
137.05971	9.1
137.09550	0.8
138.03137	0.8
138.06770	2.4
138.36993	0.8
139.07515	1.1
145.10110	2.0
147.11670	1.4
148.05196	11.3
149.02347	6.7
149.05978	2.4
149.13313	0.8
151.03911	5.5
151.07530	7.6
153.09079	0.7
155.07048	1.0
157.10056	0.8
159.08049	0.7
159.11681	2.1
163.03893	3.1
163.11176	1.1
164.85202	0.7
165.05531	4.8
166.06259	20.3
167.03319	0.9
167.07037	2.1
177.05513	1.6
177.12712	3.0
178.06227	2.9
179.03380	1.2
179.14297	0.8
180.04150	1.3
181.05014	23.3
181.08592	100.0
182.08914	1.0
188.04642	0.9
191.03416	1.8
194.05772	3.5
195.06548	1.1
199.06134	0.7
205.04935	1.8
206.05736	7.2
209.08083	16.6
222.05156	1.0
223.05975	2.4
223.08118	0.8
229.19525	1.5
237.07576	23.4
241.08551	1.4
246.22263	1.4
247.20566	1.6
248.46066	0.7
264.23264	14.3
271.09647	2.5
297.07462	0.8
299.09149	6.4
314.11520	10.0
315.08560	2.5
317.13831	14.6
329.10175	1.9
330.11063	2.7
331.11777	1.8
343.08191	1.7
345.13306	27.9
346.13809	0.9
358.10547	1.7
373.12820	11.8
373.24179	1.2
373.28561	17.5
391.13757	2.2
391.29602	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	391.1389
Annotation	Guaiacylglycerol-beta-ferulic acid ether
Peak:m/z	Relative Intensity
52.39234	0.9
53.03940	1.2
56.96563	1.3
60.65883	1.0
61.02927	3.2
63.20970	0.9
69.03411	1.4
70.06602	2.1
70.08559	3.8
71.08636	1.4
79.05500	2.3
81.03355	1.0
81.07014	1.7
84.08136	1.4
85.02896	2.7
89.03907	1.1
91.05467	6.6
94.04193	2.1
95.04975	2.7
97.02898	2.0
103.05455	2.2
105.07045	2.1
107.04935	4.1
109.06528	2.0
119.04951	5.8
121.06490	10.1
122.03651	5.9
123.08028	1.1
125.02364	1.7
125.05996	1.9
127.03960	1.5
131.04926	3.8
133.02855	1.2
134.03641	5.3
135.04430	2.5
137.05984	100.0
141.99812	1.0
147.04407	7.7
149.02339	11.6
149.05991	31.1
150.06812	1.2
151.03912	1.9
151.07556	4.4
152.06303	1.4
153.01863	3.9
153.05484	1.8
153.07005	4.7
161.06000	7.9
163.07588	1.1
165.05508	2.4
165.06944	2.1
167.03383	1.1
167.07031	1.4
167.08478	1.1
175.03889	1.2
175.07533	1.4
177.05537	2.2
179.07068	10.1
181.05060	1.6
181.06453	6.5
184.05115	1.1
189.05505	1.8
191.05136	1.1
191.07024	5.4
193.04987	11.3
193.06491	1.7
195.08072	1.6
196.05338	1.5
197.05928	1.7
201.05464	3.1
207.06508	4.5
208.05165	1.8
209.06032	2.3
210.06688	1.4
211.07520	3.4
211.14452	1.3
213.09180	5.4
213.11021	1.5
219.06496	3.2
221.05945	2.0
222.06818	1.6
223.07527	2.4
225.05417	1.0
225.09129	1.9
229.10579	4.1
235.07350	1.4
237.07515	2.8
240.07878	3.4
241.08614	6.2
249.07538	1.1
251.07071	2.3
253.08656	4.2
255.10327	1.4
265.08630	2.1
268.07120	1.3
273.11212	20.7
279.06400	1.3
281.08224	1.0
283.09695	1.1
285.08127	1.2
285.11182	4.6
292.79727	1.0
299.09189	6.1
311.09055	4.0
313.10379	1.2
315.08636	3.0
315.12286	1.1
325.10660	4.1
327.12097	1.0
329.10251	12.6
343.11783	3.2
355.11597	1.4
373.12741	3.8
391.14072	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35092	3.6
71.97735	3.5
73.99541	3.4
75.80070	4.0
78.07208	3.4
80.48978	3.0
81.07024	3.6
82.26467	3.9
85.02898	10.6
91.05513	5.4
98.21477	10.0
101.94140	3.4
103.05440	4.3
105.07019	41.8
115.05407	7.2
118.04144	4.4
119.04957	3.9
119.62289	2.9
133.06496	37.9
137.05972	3.8
143.05936	3.9
145.04901	4.5
161.05986	100.0
180.08594	3.4
193.06851	4.4
193.08614	75.9
208.38443	2.9
211.09694	14.3
231.99179	4.5
301.25137	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	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03423	3.9
56.96535	4.3
59.09155	3.4
69.86527	6.7
69.86943	13.1
71.55054	4.0
76.83212	3.1
79.05477	6.1
81.03408	4.8
85.02890	15.2
91.05491	14.3
94.06577	6.3
97.02890	6.0
98.97588	5.6
103.05493	8.0
105.07039	65.1
115.05431	10.2
118.04168	5.7
127.03873	8.9
133.06483	53.7
138.04440	5.1
138.05508	95.4
139.10802	3.6
142.12331	4.6
153.01843	19.1
161.05992	100.0
173.15324	4.1
193.06828	4.3
193.08624	74.9
195.66820	3.3
205.19382	4.0
213.09508	3.7
228.03209	3.7
230.16681	4.1
240.32367	4.2
332.14856	3.9
358.08139	8.7
390.15411	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	391.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
54.32684	0.8
55.05506	1.7
56.96557	1.1
57.07071	1.5
65.03941	1.2
67.05511	5.6
68.99797	0.8
69.03416	1.4
69.54573	6.1
71.04961	0.9
71.08616	1.1
72.08155	5.7
77.09202	0.7
79.05478	4.3
80.55293	0.8
81.03413	1.2
81.07050	1.9
83.04996	1.2
84.04490	2.2
85.02925	2.1
85.06545	0.8
91.05479	11.4
94.04193	2.0
95.04977	8.7
95.08593	1.3
97.06580	1.0
98.97618	1.3
105.03416	0.9
105.07039	1.4
107.04970	3.6
107.08569	1.5
109.02885	1.5
109.06541	0.8
111.04434	1.3
116.04993	6.8
118.06539	9.4
119.04976	1.3
119.08543	1.3
121.06534	1.3
121.10161	0.8
122.03649	3.0
123.04435	34.3
123.08084	1.0
124.97569	0.8
125.05995	2.7
127.03925	1.2
129.06569	1.0
130.04962	1.9
131.04912	1.1
131.08563	1.7
131.70265	0.8
137.06003	6.5
138.06773	1.5
140.04695	8.3
140.07079	1.7
145.10150	1.8
146.06026	1.4
147.04411	2.1
148.05200	8.6
149.02333	7.4
149.05974	1.1
149.09689	0.8
151.03889	5.4
151.07500	1.7
153.05493	2.7
155.07022	1.1
159.09253	1.2
161.05956	1.5
163.03825	1.1
165.05443	2.2
166.06259	3.3
167.07088	1.4
168.04239	5.8
169.04909	1.9
172.11240	6.1
178.06313	1.3
179.07095	1.4
181.05127	1.8
181.08603	47.3
183.06538	100.0
184.06854	1.1
184.09709	1.6
191.03435	1.0
191.07059	1.3
193.08623	1.4
195.06563	1.2
207.06569	1.6
213.05493	1.7
217.13348	5.5
221.08150	4.4
223.05963	1.1
227.07079	1.1
229.08565	1.3
234.98997	1.0
239.06924	1.0
241.04866	1.4
242.05884	1.1
255.06606	1.7
257.07996	1.3
259.05994	1.9
261.07675	0.8
269.04562	1.9
284.06750	2.7
285.07846	1.4
292.12872	6.0
299.09006	4.0
302.07828	1.4
313.07162	1.6
313.10721	1.1
317.10257	8.5
327.08652	1.4
328.09576	4.4
329.14984	2.9
331.11819	3.7
346.17566	8.5
347.11240	2.2
359.11276	3.9
373.12543	1.9
375.17062	0.9
391.13232	7.3
391.16562	1.7
391.17960	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2169
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.25656	7.5
67.05501	8.0
67.49638	6.7
69.03440	15.4
69.07059	11.5
70.72531	6.9
70.72871	18.5
74.89051	6.9
74.91193	8.2
75.16055	6.7
79.64359	7.2
81.07053	24.8
85.06517	10.8
91.05447	12.4
93.07047	25.9
93.87512	6.9
95.08607	20.1
100.88235	7.8
101.94565	7.9
105.07034	22.2
107.08605	52.0
109.06532	18.7
109.10171	22.4
119.08593	13.5
121.06525	8.5
121.10136	32.4
123.08102	7.9
125.38477	6.9
127.03917	9.1
131.08600	19.7
133.10139	57.8
135.08076	9.2
137.09639	16.1
145.10126	8.7
147.11700	15.5
149.09642	14.6
149.13271	33.0
151.11212	31.6
163.14836	15.1
173.13264	49.0
191.14310	100.0
209.15361	65.9
217.95296	7.5
227.16434	11.0
241.57745	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	390.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.3
55.05531	0.2
65.03935	0.3
67.05504	0.7
69.03426	0.8
69.07050	0.2
70.95689	0.5
70.95811	0.2
77.81519	0.2
79.05490	0.8
81.03399	0.3
81.07051	0.7
85.02899	0.9
91.05484	0.7
93.07063	0.5
95.04970	0.3
103.05481	0.2
105.07034	0.4
106.06561	0.5
107.04963	1.1
107.08571	0.5
109.10054	0.2
115.05467	0.4
119.04932	0.3
119.08595	0.7
120.04482	0.6
122.05989	0.3
124.07602	0.3
124.11209	0.2
128.06277	0.3
129.07004	0.5
131.04915	0.4
131.08566	0.3
133.06474	0.2
134.06018	0.3
137.05974	0.3
141.07042	0.4
142.07820	0.5
144.05681	0.8
145.06517	1.8
145.10115	0.3
146.06007	0.3
147.11703	0.3
152.06201	0.8
153.06981	0.5
155.08572	0.7
157.06505	1.1
159.06825	0.4
159.08066	0.6
160.07573	0.7
165.07013	1.7
167.07262	0.4
167.08591	0.4
169.06438	0.3
170.06064	0.2
170.07219	1.2
171.08058	0.5
172.07599	0.3
172.11136	0.3
175.14806	0.6
181.04990	0.3
182.09608	0.5
183.06616	0.2
183.08078	1.1
184.07579	0.6
185.08353	2.6
185.09743	0.7
186.09090	0.5
191.46779	0.2
193.12250	0.3
193.15985	0.3
198.05525	1.6
199.06290	0.5
200.10695	2.6
212.07082	0.7
213.07820	2.1
228.10202	100.0
229.10551	1.9
390.15768	0.3
390.27423	0.5
399.57742	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24183	3.4
55.01843	3.2
60.99724	3.3
61.02936	4.3
69.45005	3.4
70.75285	9.8
79.05507	7.2
85.02899	16.8
91.05469	6.6
97.02872	5.7
103.05477	7.3
105.07040	48.7
108.99776	3.4
115.05456	12.8
118.04148	4.1
119.04984	6.2
122.09688	5.2
133.06496	43.6
137.05966	6.0
143.04973	3.7
147.04468	4.5
149.05968	6.4
161.05991	100.0
165.09152	9.2
193.04871	4.2
193.08617	78.8
193.10272	6.4
210.11325	4.1
211.09650	16.4
228.13925	10.3
341.58649	3.6
390.15063	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	389.2171
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
52.69871	3.6
55.05519	9.0
67.05500	13.2
69.03429	10.0
69.07059	10.7
69.59802	22.6
71.04998	4.5
79.05477	11.1
81.07065	33.2
83.04965	6.8
83.08625	5.6
85.02901	10.0
85.06545	18.5
91.05508	8.9
93.07057	30.1
95.08598	20.5
97.02908	5.6
97.06526	10.8
97.08238	3.3
99.08086	12.0
105.07018	20.6
107.04959	4.1
107.08601	77.4
109.06497	11.8
109.10160	16.6
111.08085	6.1
116.34894	4.3
119.08592	13.1
121.06528	11.2
121.10150	39.6
123.08070	15.5
125.09632	3.7
127.03942	7.3
131.08575	20.0
133.10129	35.8
135.08037	14.2
135.11646	8.7
137.09647	12.2
139.11192	9.6
145.10118	12.9
147.11708	12.8
149.09619	17.5
149.13280	41.7
151.11197	24.9
163.14874	24.4
167.10670	5.4
173.13272	39.8
191.10655	5.2
191.14317	100.0
191.16058	6.8
209.11693	5.3
209.15359	41.4
227.16444	48.0
240.06190	4.3
283.74680	3.7
287.06528	4.0
344.60574	4.2
389.18121	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	389.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.1
58.05310	2.3
67.05495	3.2
69.03410	3.7
71.36066	3.1
81.03398	3.5
81.07055	3.8
85.02907	5.6
91.05485	3.0
93.07045	4.6
95.04946	2.5
95.08582	4.1
97.02905	5.7
99.08095	5.1
107.08604	9.8
109.10122	3.7
119.08582	3.0
121.10117	7.3
123.08077	5.3
127.03922	100.0
131.08562	3.6
135.08006	3.2
149.09528	12.6
151.11221	5.8
163.14847	6.3
173.13290	3.8
191.14308	11.4
209.15277	15.4
290.47235	2.5
396.10648	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	389.217
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
54.10801	4.3
69.03425	10.5
69.07062	6.5
70.17246	10.5
70.17629	12.7
71.04997	28.0
81.07025	7.2
83.08636	7.7
85.02905	24.2
85.06534	7.3
91.05432	4.7
93.07038	13.1
95.08609	13.3
97.10173	6.5
98.19039	4.5
98.20852	5.6
99.04468	100.0
105.07022	14.3
107.08604	30.1
109.10145	12.3
111.08130	5.7
113.09636	5.9
121.10135	15.1
123.08047	8.2
123.11674	11.2
125.09666	11.8
129.14304	4.5
131.04930	5.8
133.10110	14.1
135.08060	6.3
135.11673	4.9
140.11188	5.3
145.10118	6.8
148.71706	5.2
149.09619	60.0
149.13220	9.6
151.11136	7.9
163.14861	7.2
167.07037	6.8
169.12260	17.5
173.13232	8.2
183.13718	32.7
191.14287	22.1
209.15427	23.5
227.16431	95.4
355.75082	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	389.2169
Annotation	Breyniaionoside D
Peak:m/z	Relative Intensity
67.05498	2.4
69.03429	3.5
69.29272	8.9
69.29689	6.7
71.05000	11.4
81.03440	1.6
85.02907	9.7
85.06541	2.7
91.05465	2.2
93.07040	3.1
99.04455	33.3
99.21306	1.5
105.07043	2.5
107.08583	4.4
109.10181	2.7
113.09612	2.2
121.10158	4.8
123.08076	5.3
123.11721	4.9
129.93851	1.4
133.10161	5.4
139.11105	1.7
145.05080	1.6
147.11568	1.7
149.09630	100.0
151.11183	2.5
169.12267	6.1
173.13271	3.2
183.13849	8.5
191.14307	8.0
201.66255	1.7
209.15399	13.5
227.16429	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	389.2171
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
67.05500	8.6
69.07098	7.6
70.95485	12.1
71.87496	5.6
79.05475	8.0
81.03425	7.1
81.07056	11.3
83.04948	8.8
85.02901	12.7
93.07049	13.5
95.04939	5.2
95.08580	10.1
97.02879	11.9
98.59208	5.7
102.47095	5.4
104.34321	4.9
105.07021	10.4
107.08604	26.3
109.06534	6.9
109.10159	14.0
118.35796	5.6
119.08578	8.0
121.06506	7.1
121.10190	13.0
123.08084	7.8
127.03919	100.0
131.08594	9.6
133.10126	21.7
137.09576	9.9
147.11606	5.5
149.09616	9.2
149.13266	19.9
151.11139	10.8
163.14835	11.2
173.13235	25.0
187.06010	6.7
191.14352	42.8
209.15334	37.0
222.70995	5.7
293.53198	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	389.1806
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
56.05058	5.9
57.07069	7.7
62.46814	5.6
67.05495	28.1
69.03415	9.7
69.07054	8.0
71.04977	16.4
71.52895	13.2
74.34612	5.5
79.05487	27.9
81.07045	20.2
82.31621	6.5
83.04975	6.5
83.14740	5.5
83.35115	5.6
85.02897	17.1
85.06065	7.1
85.06548	100.0
86.09695	15.4
89.06040	58.6
90.06358	12.3
91.05495	20.5
93.07045	30.5
95.04980	9.7
95.08598	16.5
95.49487	6.8
99.08037	9.2
103.05482	8.9
105.07052	29.8
107.04933	10.8
107.08590	56.1
109.06509	11.6
109.10160	11.4
111.04452	14.8
111.08070	7.6
117.07020	5.9
119.08580	23.2
121.06496	13.7
121.10191	32.8
123.08075	7.6
125.06005	9.0
125.09653	8.6
131.04868	8.2
131.08572	69.3
133.08603	26.8
133.10121	20.9
134.08926	20.0
135.11702	10.4
137.09608	7.6
145.10106	30.2
147.11673	6.7
149.09615	54.2
149.13274	14.4
151.11147	10.3
163.07578	6.4
163.11177	19.7
163.14807	15.1
165.09087	7.0
167.10658	28.6
168.47595	6.6
173.09653	7.2
173.13194	19.8
177.11183	7.5
191.10661	55.0
191.12207	7.3
191.12810	5.7
191.14330	46.4
209.11719	75.2
209.15405	22.6
227.12794	73.3
227.16377	18.2
333.22015	5.7
372.23022	23.0
389.17697	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	389.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05058	5.9
57.07069	7.7
62.46814	5.6
67.05495	28.1
69.03415	9.7
69.07054	8.0
71.04977	16.4
71.52895	13.2
74.34612	5.5
79.05487	27.9
81.07045	20.2
82.31621	6.5
83.04975	6.5
83.14740	5.5
83.35115	5.6
85.02897	17.1
85.06065	7.1
85.06548	100.0
86.09695	15.4
89.06040	58.6
90.06358	12.3
91.05495	20.5
93.07045	30.5
95.04980	9.7
95.08598	16.5
95.49487	6.8
99.08037	9.2
103.05482	8.9
105.07052	29.8
107.04933	10.8
107.08590	56.1
109.06509	11.6
109.10160	11.4
111.04452	14.8
111.08070	7.6
117.07020	5.9
119.08580	23.2
121.06496	13.7
121.10191	32.8
123.08075	7.6
125.06005	9.0
125.09653	8.6
131.04868	8.2
131.08572	69.3
133.08603	26.8
133.10121	20.9
134.08926	20.0
135.11702	10.4
137.09608	7.6
145.10106	30.2
147.11673	6.7
149.09615	54.2
149.13274	14.4
151.11147	10.3
163.07578	6.4
163.11177	19.7
163.14807	15.1
165.09087	7.0
167.10658	28.6
168.47595	6.6
173.09653	7.2
173.13194	19.8
177.11183	7.5
191.10661	55.0
191.12207	7.3
191.12810	5.7
191.14330	46.4
209.11719	75.2
209.15405	22.6
227.12794	73.3
227.16377	18.2
333.22015	5.7
372.23022	23.0
389.17697	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	389.1595
Annotation	(-)-Simulanol
Peak:m/z	Relative Intensity
55.01885	33.1
63.89040	4.5
65.03938	13.2
65.07854	4.3
65.08950	4.8
67.05500	12.9
69.03431	8.5
70.30213	18.0
79.05500	13.4
81.03403	5.7
81.07036	5.5
82.04202	5.0
85.02902	12.5
91.05482	20.5
93.03418	5.4
93.07044	5.1
95.04979	14.0
95.08617	6.2
97.02857	5.1
97.06498	7.4
103.05489	25.7
105.07037	7.9
107.04964	19.3
107.08629	5.4
109.06538	6.1
111.04394	5.1
115.05444	6.9
117.07062	5.6
119.04950	6.7
119.08566	5.3
121.06527	5.7
122.61036	4.2
123.04456	22.7
123.08064	6.4
125.05964	5.5
127.03803	5.3
129.07013	21.9
131.04916	26.8
131.08574	15.1
133.02831	4.7
133.06441	6.6
137.05986	88.3
138.03021	4.5
141.06999	11.2
145.06508	9.3
147.04378	5.6
149.05963	7.7
151.07558	6.3
153.05453	6.0
153.10358	4.6
157.06505	23.4
158.07243	6.3
159.08075	12.9
160.05118	8.0
160.09039	4.3
161.06026	11.6
161.09683	6.2
163.07538	15.0
165.06856	4.5
167.07062	42.7
169.06528	6.1
171.06520	8.3
174.06779	29.8
174.46820	4.5
175.07579	29.4
177.05457	36.7
179.07021	5.6
181.04961	100.0
181.06494	7.2
183.06578	25.6
184.93318	4.9
186.06715	7.8
187.07596	10.5
189.09134	46.3
201.09135	17.6
202.08603	6.6
203.08905	13.5
209.06236	7.2
209.08072	52.3
216.55884	4.2
217.08449	7.3
218.07239	6.1
219.08099	9.2
219.10161	93.9
221.08188	5.3
227.06860	5.4
228.10371	7.1
229.10600	10.2
233.09715	8.0
234.06793	10.9
235.07396	5.3
244.57162	5.6
249.09117	12.1
261.09198	16.1
267.95538	4.9
277.08612	33.8
283.10837	5.2
309.11249	11.7
318.48792	4.7
329.11337	11.2
339.12289	35.3
341.13651	7.1
359.14835	10.9
371.14920	46.2
389.16016	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01617	2.3
55.01874	37.3
55.05514	1.3
56.96547	2.5
65.03949	10.6
67.05511	6.1
69.03419	3.2
69.07068	1.5
69.44962	9.5
71.04967	1.2
78.04690	1.1
79.05493	5.5
81.07050	3.2
82.04202	3.8
82.80125	1.1
83.04962	1.7
85.02908	7.6
85.06547	1.7
86.79137	1.1
91.05476	6.1
93.03426	2.8
93.07045	3.9
94.04208	2.3
95.04987	5.6
95.08601	3.3
97.02908	2.1
97.06536	3.6
98.97575	1.4
99.04469	2.1
103.05472	16.3
105.07030	3.5
107.04961	9.7
107.08611	1.8
108.02115	2.5
109.02829	1.6
109.06519	1.7
110.03641	4.1
111.04455	2.7
115.05433	1.5
117.07024	3.4
119.04934	1.4
119.08527	1.9
121.02951	1.1
121.06485	4.6
121.10040	1.2
122.03630	3.7
123.04420	5.7
123.08055	2.0
124.11229	1.4
125.05981	3.9
127.03917	1.6
128.06210	4.9
129.06981	9.0
131.04932	20.6
131.08549	2.6
133.06509	1.6
135.04405	3.2
135.08015	1.5
136.68974	1.4
137.05981	34.2
138.03117	2.5
140.04707	1.8
141.07007	1.2
142.02565	2.0
145.06519	5.7
147.04375	2.0
149.05989	10.4
151.03886	1.3
151.07568	7.0
153.01837	4.8
153.05484	3.7
157.06511	9.1
159.04442	1.8
160.05156	2.1
161.05995	3.2
162.06714	1.3
163.07521	9.3
165.05424	1.8
167.07048	24.0
171.06503	5.9
174.06824	4.2
175.07544	20.6
177.05475	35.2
177.09106	1.6
181.04964	100.0
182.05270	1.8
183.06512	4.0
185.05939	1.5
187.07529	2.2
188.08310	1.5
189.09129	12.8
191.07002	1.8
195.10149	4.2
199.07539	1.5
201.09097	2.3
203.08655	1.6
205.08571	2.8
207.06372	1.7
209.08090	54.8
217.08571	7.1
218.07306	1.9
219.10149	11.5
221.08070	1.4
234.06955	1.3
235.09637	3.9
246.06850	1.3
247.07532	2.0
248.08328	1.4
249.09100	4.4
261.09161	3.8
263.06924	1.4
264.07578	1.5
277.08606	6.3
278.09332	2.1
279.06326	1.2
279.09882	1.4
287.05536	2.6
289.24979	1.2
293.08081	1.2
293.11734	2.7
295.09741	1.4
309.11166	4.5
321.11209	3.4
327.12067	1.4
333.97110	1.2
339.12332	9.7
341.13638	2.0
342.13535	1.3
353.13727	1.9
353.78262	1.1
359.14993	2.8
371.14871	11.5
389.15891	40.2
389.20682	2.2
390.16327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1596
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
51.77085	1.8
53.03947	2.9
55.01876	38.8
55.05513	2.8
65.03946	9.9
67.05505	9.1
69.03445	5.5
69.07088	2.3
71.05022	1.5
71.19467	1.8
72.98214	1.5
79.05493	7.7
81.03419	3.4
81.07069	3.3
82.04187	6.0
84.88883	1.6
85.02894	10.8
91.05492	7.1
93.03411	3.7
93.07053	5.9
94.04173	2.2
95.04961	6.7
95.08613	5.5
97.02898	2.4
97.06547	4.9
98.97604	2.7
103.05473	19.5
105.07016	3.4
107.04974	10.3
107.08595	3.4
109.02883	2.9
109.06503	3.0
110.03663	5.0
111.04453	2.7
113.29773	1.8
115.05467	3.4
117.07023	2.8
119.08577	2.2
121.06503	7.4
122.03667	4.8
123.04410	6.4
123.08067	2.5
124.05320	2.3
124.11270	2.7
125.05992	5.8
128.06224	4.8
129.06993	14.7
131.04926	24.1
131.08549	3.5
133.06482	2.7
133.10068	2.8
135.04370	2.1
137.04984	3.0
137.05981	42.6
138.03098	3.6
138.06331	2.7
140.04678	3.5
141.06989	1.8
142.02617	3.3
143.32974	1.7
145.06491	6.1
145.10121	2.1
148.11229	4.5
149.05968	10.4
149.09642	2.1
151.03938	2.5
151.07552	7.8
152.07101	2.3
153.05452	4.7
157.06511	11.2
159.11674	1.8
160.05203	5.8
161.06027	3.4
161.09666	2.2
163.03996	2.4
163.07567	7.8
165.05473	4.3
167.07033	26.9
171.06560	5.7
173.06087	2.6
174.06790	4.3
175.07562	18.1
177.05461	34.1
177.09023	2.0
179.07028	2.4
181.04958	100.0
183.06606	8.2
187.07507	4.2
189.09108	20.4
191.07005	3.4
191.08542	2.1
195.10201	2.4
201.09126	5.0
205.08592	4.4
207.08119	2.2
209.08089	55.7
217.06726	2.2
217.08591	7.3
218.07291	3.2
219.08110	3.8
219.10109	20.5
231.07910	1.8
233.05954	2.0
234.06728	3.5
235.09618	3.0
246.06790	2.4
247.07458	2.3
248.08539	1.8
249.09114	6.9
250.09772	2.0
251.10587	2.2
261.09085	7.4
277.08591	14.5
278.09390	2.5
279.06186	2.3
279.10385	2.8
287.05423	7.8
289.08746	2.0
291.10101	2.8
293.08264	2.5
293.11591	2.2
305.37402	2.1
307.09698	2.4
309.11258	6.9
311.12958	3.3
321.11389	3.6
327.12161	3.1
339.12344	14.1
341.13831	5.4
353.13510	2.1
359.15079	4.8
370.16891	1.7
371.14822	16.0
389.11679	2.9
389.15933	49.7
390.16171	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	389.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	24.3
65.03934	10.2
67.05495	9.3
69.03430	5.8
71.15418	10.2
76.10847	4.0
79.05514	4.4
81.07032	5.3
82.04172	3.5
85.02920	12.5
85.89834	3.9
88.75240	3.6
90.68314	3.4
91.05495	12.3
91.50710	3.4
93.07054	7.1
95.04967	8.7
97.06547	8.1
103.05472	19.3
104.17445	4.1
105.07027	7.0
107.04958	13.6
115.05490	7.6
117.07046	8.6
119.08577	4.8
121.06530	4.6
121.10112	4.9
123.04433	14.4
123.08070	5.5
125.05987	5.8
129.07036	15.1
131.04929	41.6
131.08647	7.8
133.06503	9.1
133.10059	4.3
137.05972	48.2
140.04700	5.7
141.06990	8.6
145.06453	7.7
147.04373	4.6
149.05977	7.2
151.07578	14.1
151.39665	3.9
153.05490	4.9
155.07178	4.0
157.06528	14.2
159.08029	6.5
161.05991	11.2
163.07532	13.0
167.07082	22.3
171.06531	9.4
174.06805	14.0
175.07562	46.9
177.05469	26.2
177.09068	4.9
181.04973	100.0
183.06546	16.8
187.07538	4.5
189.07442	5.7
189.09079	36.8
195.10223	4.9
199.08739	9.7
201.09172	9.9
206.07227	4.9
207.06517	8.0
209.08096	30.6
209.15375	4.6
209.96567	4.3
213.06628	6.5
213.10211	10.7
217.06630	6.7
217.08614	8.7
219.08110	7.8
219.10120	68.0
221.08028	7.1
227.08356	8.1
227.11868	6.2
234.06993	4.7
235.07617	6.3
238.18338	5.1
241.09789	27.7
245.12958	6.4
249.09082	11.3
255.11354	25.3
261.09186	9.4
268.37024	4.4
269.08743	4.9
273.12308	5.6
277.08685	26.7
279.10019	4.2
283.10849	34.3
291.10083	6.0
295.10590	6.5
307.09760	6.7
309.11188	10.8
311.10025	21.8
313.11627	4.8
321.11047	6.0
329.11334	64.3
339.12534	22.4
341.13931	4.2
346.92468	4.1
357.10764	45.0
371.14914	79.0
389.12421	4.5
389.15744	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	389.1595
Annotation	Dihydrosinapyl ferulate
Peak:m/z	Relative Intensity
53.03944	2.8
55.01619	2.0
55.01872	32.7
55.05509	1.2
57.03423	1.1
65.03941	10.4
67.05489	5.6
69.03427	4.0
69.07063	1.9
71.04957	1.5
71.61594	2.2
79.05487	6.1
81.03403	1.7
81.07049	4.2
82.04190	3.5
83.04973	1.4
85.02914	8.4
85.06554	0.9
89.03954	1.1
91.05465	5.6
93.03381	1.6
93.07046	3.8
94.04184	1.4
95.04962	5.9
95.08619	2.2
97.02904	1.1
97.06516	4.3
98.97553	1.1
102.42233	0.9
103.05473	18.0
105.07024	3.4
107.04946	9.2
107.08588	1.7
108.02081	1.8
109.10194	2.0
110.03681	4.6
111.04455	2.7
115.05458	1.7
117.03397	1.2
117.07008	3.1
119.04947	1.0
120.43343	0.9
121.06491	5.5
121.10184	1.3
122.03634	4.0
123.04416	5.9
123.11650	1.2
124.05235	1.7
124.11259	2.4
125.05978	3.7
128.06216	3.1
129.06990	7.7
129.12225	0.9
131.04932	20.7
131.08595	1.4
133.06464	2.0
133.10118	2.6
134.03587	1.7
135.08105	1.9
137.05968	32.2
138.03128	3.0
140.04749	1.1
142.02608	4.0
145.02856	2.5
145.06470	3.4
147.04489	1.6
149.05995	11.2
151.03944	1.5
151.07588	1.9
153.05453	5.7
153.49954	1.1
155.07060	1.3
157.06512	9.7
159.04440	2.4
159.08110	1.1
160.05176	3.9
161.06001	3.7
163.03900	1.3
163.07553	7.4
164.15158	1.2
165.05594	1.2
167.07033	26.3
171.06570	5.8
171.07819	1.2
174.06754	4.5
175.07533	17.2
177.05467	42.5
177.08995	1.3
181.04956	100.0
182.05328	1.5
183.06502	2.6
183.24001	1.0
187.07556	2.0
189.09100	10.1
190.07791	1.1
191.07092	1.9
191.14435	1.8
192.14725	2.3
195.07957	1.1
197.16019	1.0
201.09012	1.5
203.08537	1.6
205.06776	1.1
205.08623	3.5
206.07285	1.3
209.08086	58.1
210.15091	1.1
217.08533	6.8
218.07285	1.5
219.08095	2.4
219.10184	5.8
221.07935	1.1
227.20125	1.2
233.09621	1.2
234.06783	1.8
235.09686	2.0
248.08395	1.1
249.09154	3.2
250.06058	1.1
251.10919	1.1
261.09183	2.8
266.09402	2.2
277.08582	8.9
278.09421	2.2
287.05557	2.8
289.08566	1.3
291.10208	1.6
293.11722	2.4
309.11182	3.6
321.11005	1.4
327.11755	1.2
339.12253	7.6
340.12918	1.2
341.13870	3.5
353.13687	1.6
359.14932	2.8
371.14941	12.6
389.15930	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	388.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.05518	8.8
56.05027	0.4
56.79639	0.3
57.05826	0.9
59.05009	0.6
62.78025	0.4
67.05515	0.4
69.03430	1.5
69.45187	2.8
72.08159	100.0
81.03418	2.6
85.02907	2.4
85.06499	0.4
89.06042	0.6
97.02887	1.9
98.21606	0.4
103.07590	0.7
104.80265	0.4
109.02896	2.6
114.09157	0.5
116.07110	0.4
118.08658	4.4
124.11271	0.7
127.03927	40.8
133.08586	0.5
138.05490	0.4
142.12291	0.7
154.05037	0.4
180.10262	0.5
189.05864	0.4
208.09778	0.8
209.13898	1.1
213.87314	0.4
216.12421	0.5
226.10699	2.7
226.14505	1.2
234.13426	1.5
244.11819	5.1
248.84761	0.5
262.12863	7.9
289.09180	1.0
310.41946	0.4
388.16525	3.5
388.23544	0.7
389.18271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43405	0.6
55.01872	0.8
55.05510	1.3
57.58474	0.6
67.05497	0.6
69.03429	66.8
70.85629	1.7
71.04995	9.2
79.05485	1.3
81.03429	1.3
81.07065	0.7
83.04979	2.0
83.08607	0.7
85.02896	1.9
91.05477	2.4
92.25276	0.6
93.07025	0.9
95.08534	0.6
98.20832	0.7
105.07026	1.1
107.04932	0.9
107.08591	0.8
109.10085	0.7
121.06524	0.6
121.10146	4.4
121.44564	0.6
123.08067	0.6
133.10075	0.7
135.08055	100.0
136.08449	0.8
137.05972	4.4
138.06340	3.3
145.10091	0.7
164.07047	1.8
167.07057	1.5
167.95204	0.6
168.07339	0.7
173.13306	1.3
181.04958	2.5
182.05266	0.9
191.14308	32.3
194.08109	0.6
202.08566	3.5
208.09615	5.0
214.06288	0.7
228.10204	3.8
328.75665	0.7
353.87616	0.7
358.13727	0.9
388.14441	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	388.233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86479	3.7
55.01852	5.6
66.04326	3.1
67.05503	4.1
69.03422	3.6
69.07062	8.0
69.64546	18.8
71.05001	7.6
73.35844	3.0
79.05486	5.3
81.03421	4.3
81.07066	16.2
85.06550	4.8
91.05492	8.2
93.07050	11.9
95.04971	4.2
95.08610	13.5
96.04514	9.0
97.06515	9.0
103.05473	4.0
105.07027	12.9
107.04952	5.3
107.08588	30.8
109.06532	12.0
111.08121	5.2
115.05490	3.8
117.07035	3.4
119.08596	13.7
121.06465	4.5
121.10149	26.2
131.04907	4.8
131.08536	7.9
133.09119	3.5
133.10133	69.7
135.08064	12.6
135.11656	4.1
137.05969	18.2
138.06264	4.9
145.10107	4.3
147.11661	12.0
149.13272	12.9
149.45016	3.3
163.14822	67.0
164.15198	5.8
165.12531	3.1
167.07063	7.9
173.13243	20.4
177.05478	5.6
181.04973	15.3
191.14308	100.0
209.08107	5.4
219.10176	3.3
235.07898	7.4
298.36710	3.6
375.81934	3.7
388.14447	7.3
389.15909	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	389.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39579	1.7
57.33796	1.7
69.03448	2.1
71.04976	2.1
71.30567	2.8
71.30894	2.5
71.63921	1.6
73.02925	2.3
81.07055	2.2
85.02934	5.8
86.09694	2.3
90.18967	1.6
91.05495	2.2
95.04996	3.1
101.03361	1.8
109.79848	1.9
116.01608	2.0
117.15086	1.6
121.10048	1.6
127.03886	8.2
133.10173	2.2
140.04701	3.5
153.01840	2.9
155.06981	2.7
161.06029	2.4
181.04944	4.0
209.15259	3.0
227.09056	3.7
227.12633	7.3
259.07999	3.9
389.17911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39579	1.7
57.33796	1.7
69.03448	2.1
71.04976	2.1
71.30567	2.8
71.30894	2.5
71.63921	1.6
73.02925	2.3
81.07055	2.2
85.02934	5.8
86.09694	2.3
90.18967	1.6
91.05495	2.2
95.04996	3.1
101.03361	1.8
109.79848	1.9
116.01608	2.0
117.15086	1.6
121.10048	1.6
127.03886	8.2
133.10173	2.2
140.04701	3.5
153.01840	2.9
155.06981	2.7
161.06029	2.4
181.04944	4.0
209.15259	3.0
227.09056	3.7
227.12633	7.3
259.07999	3.9
389.17911	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45965	0.3
56.69946	0.3
65.03917	0.4
67.05492	0.4
69.03410	0.4
71.28052	0.5
79.05490	0.3
81.07044	0.3
91.05481	0.6
93.07036	0.4
95.08618	0.3
98.97581	0.4
105.07014	0.6
107.04915	0.4
107.08581	0.3
115.05421	0.3
121.06469	0.4
122.03632	0.6
130.88736	0.3
131.04883	0.3
136.59396	0.3
136.90179	0.3
137.05969	5.3
138.85968	0.3
147.04451	0.4
149.05946	0.3
151.03882	0.5
153.05551	0.4
163.07529	0.3
167.07083	2.0
175.07465	0.3
181.04932	1.6
191.07042	0.5
233.08144	0.4
328.19180	0.3
335.12000	0.3
357.13321	1.0
387.14639	2.9
387.23523	100.0
388.23822	3.3
388.28500	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36214	0.5
69.73076	2.8
74.22047	0.4
81.03410	0.6
97.40353	0.5
127.03881	1.7
137.06004	5.7
158.36681	0.6
167.07040	2.1
181.04973	1.7
191.07153	0.8
240.32074	0.5
256.19702	0.5
387.14627	3.4
387.23550	100.0
388.23898	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	0.6
69.78740	2.2
79.05487	0.6
91.05462	0.4
93.07076	0.5
98.20734	0.7
98.97564	0.5
107.04977	0.6
107.08548	0.4
131.04936	0.6
137.05991	5.8
151.03918	0.5
167.07050	1.9
173.06018	0.4
181.04962	1.5
191.07118	0.6
258.65332	0.4
274.35504	0.4
337.10800	0.5
357.13446	0.6
387.14807	2.4
387.23535	100.0
388.23962	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	387.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
64.67324	0.6
66.16371	0.6
66.71080	0.6
66.99895	0.5
69.03442	0.8
71.14985	1.3
81.03431	0.6
85.02897	3.0
96.24778	0.6
97.02885	1.1
104.04085	0.6
123.08080	0.7
127.03922	2.0
128.40468	0.6
137.09583	0.7
151.07544	0.9
181.12282	0.9
187.80911	0.8
189.12755	0.9
207.13867	1.7
217.27335	0.6
225.14827	4.6
327.14145	72.9
328.14453	1.4
369.18909	0.8
387.16248	100.0
388.16534	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	387.2013
Annotation	Icariside B2
Peak:m/z	Relative Intensity
69.03419	24.4
70.91698	16.1
70.92033	22.1
85.02892	78.2
85.06564	10.9
94.16994	10.1
95.08598	33.4
109.10153	28.4
120.71735	10.9
121.10112	20.4
123.08060	19.7
123.11710	86.7
124.97557	10.3
127.04005	20.0
137.15228	12.4
138.43503	11.0
147.11656	16.8
181.94444	11.3
189.12627	20.5
207.13809	100.0
225.11134	13.6
225.14934	21.3
351.17865	21.6
387.20209	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	387.2012
Annotation	(6R,9S)-Roseoside
Peak:m/z	Relative Intensity
51.01436	1.2
53.03943	3.5
55.01866	3.2
55.05515	2.6
57.03446	7.8
57.07076	2.8
59.04988	2.2
61.02919	9.1
67.05501	5.9
68.10625	1.4
69.03434	19.6
69.07066	2.6
69.34593	7.3
69.35011	4.4
71.04986	4.8
73.02924	3.4
79.05496	5.2
81.03421	11.9
81.07070	8.5
83.04981	2.7
85.02908	60.8
85.06538	2.7
87.04462	4.0
91.03960	3.6
91.05484	3.4
93.07048	6.2
95.01281	1.5
95.04964	4.4
95.08602	9.8
97.02894	21.4
97.06548	6.7
97.07092	1.3
98.70016	1.4
99.04446	6.0
105.07049	11.0
107.04913	1.6
107.08590	6.6
109.02197	1.4
109.02893	5.6
109.06509	5.2
109.10159	3.3
111.08125	2.3
117.06973	2.2
118.48486	1.5
119.08583	4.2
121.06480	3.3
121.10130	5.3
122.03684	1.9
123.08070	41.4
123.11687	1.4
125.06008	10.2
127.03919	19.3
131.10497	1.3
133.06500	3.7
133.10100	8.3
135.08054	2.4
135.11713	3.1
137.05972	22.4
137.09607	2.3
143.08627	1.7
145.04970	19.5
145.10094	3.4
147.11734	5.4
149.09636	3.8
149.94910	1.6
151.07549	69.7
153.09186	2.0
161.09625	4.0
161.13275	2.2
163.11197	30.8
165.12750	3.3
167.07059	5.2
171.11653	1.5
173.06044	1.8
177.12781	1.5
179.10745	2.0
181.04965	3.6
181.12238	25.9
186.73383	1.4
189.09064	1.9
189.12755	14.3
191.14308	4.9
192.11449	4.9
195.19672	1.3
207.13811	100.0
209.15363	3.6
225.14850	17.1
249.14638	2.1
277.28842	1.8
357.13290	2.6
361.99237	1.4
387.14447	10.4
387.20081	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21081	0.4
66.63124	0.5
66.91903	0.5
69.03433	0.7
69.44373	2.0
69.44785	1.6
70.06603	0.6
70.99867	0.6
76.78805	0.4
82.99813	2.4
85.02892	1.1
98.97577	2.6
101.00882	22.8
103.00600	0.5
103.02486	0.5
103.63327	0.4
113.00848	0.9
115.02428	1.7
119.01925	24.3
124.11231	0.7
127.02426	2.0
131.01895	0.8
133.03471	3.8
137.02943	1.5
139.02406	3.9
142.03514	0.6
143.01895	7.7
145.03448	6.9
157.03468	24.7
159.05025	0.6
161.02948	6.2
163.04555	4.5
164.98631	1.7
169.03505	0.6
171.05048	1.1
175.04538	8.4
175.05937	0.9
181.05544	2.5
182.99664	4.5
187.04640	0.9
201.00674	4.4
205.05574	10.5
219.01764	0.7
223.06630	32.3
224.06839	1.1
225.06506	1.5
239.04483	1.2
241.07671	5.4
265.07693	8.9
267.07407	1.3
270.02792	0.7
277.07672	1.0
279.09268	8.6
285.04819	3.4
291.09058	0.7
327.03580	2.3
331.78168	0.5
345.04956	1.2
369.10965	1.3
387.13464	100.0
388.13660	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	387.1441
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
55.01878	1.1
55.05495	0.7
57.01665	0.5
64.53300	0.5
65.03944	1.3
66.04733	0.6
67.05493	1.1
69.03411	1.1
69.07064	0.8
71.04992	0.6
71.15318	0.7
71.15666	0.9
77.03896	0.5
79.05488	1.7
81.03402	0.8
81.07055	1.5
81.16530	0.4
83.08672	0.5
84.89556	0.4
85.02900	1.7
91.05486	2.1
93.07047	0.7
94.04192	3.0
95.04953	1.1
95.08620	1.7
97.02923	1.0
97.06557	0.9
99.04483	0.9
103.05441	1.0
105.07034	1.8
107.04967	1.1
107.08575	0.5
109.06538	0.9
109.10143	0.7
110.03637	0.8
111.04462	0.5
115.05469	2.5
115.45192	0.5
117.07031	2.6
119.08611	1.7
121.10106	0.6
122.03657	7.9
123.04424	1.2
127.03957	3.2
131.04970	0.7
131.08562	0.5
133.10153	1.1
137.05986	100.0
138.06329	1.2
142.02553	0.6
143.04927	3.6
145.06467	3.0
149.06120	0.5
151.03911	4.3
151.07529	0.9
153.05527	0.9
155.06039	1.7
155.10675	0.6
161.06009	1.1
161.09615	0.7
163.11269	0.6
167.07048	13.1
167.08395	0.9
171.04474	0.5
171.06584	0.5
173.05975	2.9
175.07582	1.2
177.05508	0.7
181.04971	12.8
181.06506	0.9
187.07602	0.8
189.12682	0.8
191.06926	0.6
203.07095	2.9
205.06732	0.6
205.08525	2.3
207.13795	1.1
219.08167	0.6
225.14853	1.3
228.10271	0.9
233.06081	0.6
233.08180	1.9
235.09753	2.0
247.07521	0.9
249.09198	0.8
263.07095	0.8
264.07721	0.7
265.08624	1.1
277.08618	0.5
279.10281	0.7
295.09573	0.7
297.11374	0.6
307.09616	1.1
337.10727	0.8
339.12643	0.6
341.13998	0.5
357.13385	13.3
369.13434	1.5
371.08179	0.5
387.14423	28.7
387.19305	1.1
388.14258	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11736	0.6
60.62992	0.6
69.83408	0.8
69.83819	1.7
70.99842	1.0
72.03438	0.5
77.78735	0.6
82.99854	1.7
95.90647	0.5
98.20733	0.7
98.97569	1.7
101.00883	26.7
113.00938	0.8
115.02427	2.2
119.01920	27.0
127.02401	2.2
131.01909	1.1
133.03452	3.7
137.02995	1.7
139.02400	3.8
143.01891	10.1
145.03473	7.5
147.05029	0.6
157.03468	26.8
157.35410	0.6
161.02962	6.6
163.04521	4.6
169.03566	0.8
171.05032	1.5
175.04518	9.2
175.05925	0.9
181.05583	1.4
187.04541	0.8
189.06029	0.9
194.39980	0.6
205.05592	11.1
223.06633	34.4
224.06897	0.8
225.06520	1.9
231.58893	0.5
237.53970	0.6
241.07712	6.5
265.07706	9.9
267.07413	1.2
279.09283	8.6
369.10565	0.9
387.13477	100.0
388.13654	3.1
407.78076	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05507	9.3
57.06861	1.2
57.07082	12.4
61.02923	1.5
66.18155	1.4
69.03440	5.9
71.53273	2.4
81.03410	3.4
83.08617	3.9
85.02907	17.2
85.03372	2.3
86.08379	1.4
89.06035	69.9
91.05479	3.1
95.04950	3.8
97.02888	5.1
101.09652	11.9
107.07084	3.0
107.08585	2.2
109.02895	2.8
123.08126	2.3
127.03958	2.3
133.08606	25.0
137.05998	2.2
143.29713	1.2
145.04999	1.7
145.12238	12.3
149.09579	1.3
151.08530	1.7
151.09671	32.4
167.07143	1.8
196.06007	1.3
207.15923	100.0
208.16087	1.8
249.14957	4.2
353.35736	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.06
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74328	0.5
56.96566	4.9
58.03931	0.4
69.03436	1.1
69.76611	2.5
70.06586	0.7
74.02435	1.5
84.96012	1.0
85.02901	1.9
92.04993	0.9
97.02884	0.7
98.21486	0.6
98.97583	7.2
110.06048	10.0
110.97567	1.2
113.36049	0.4
116.98664	2.3
124.11250	0.6
127.00713	0.6
127.03941	0.6
128.98608	0.8
129.26102	0.4
131.00128	0.7
134.05994	0.7
134.99702	0.5
140.98573	0.5
143.00168	1.9
153.01869	1.2
158.99673	1.3
161.01239	2.2
161.07101	1.0
164.98587	19.8
177.00705	1.0
179.02242	0.7
179.08167	1.2
182.99664	76.6
201.00719	100.0
206.01324	0.7
207.07663	1.8
219.01778	15.4
224.02313	1.9
224.94893	0.5
225.00691	3.1
225.08733	6.0
225.13072	0.6
237.02817	1.9
243.01830	2.9
249.00743	3.8
255.01810	0.9
261.00769	0.6
267.01709	4.3
269.03339	5.0
279.01840	0.6
285.02881	0.6
287.04477	0.7
297.02759	1.4
309.02795	3.9
315.03961	0.6
327.03885	43.2
328.04175	0.8
345.04947	14.6
368.06549	0.5
387.00827	0.5
387.05353	0.9
387.09946	2.6
401.95776	0.4
414.18326	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.8
55.01873	5.1
56.28783	2.6
57.03424	6.7
57.07076	3.1
61.02931	9.8
63.64977	2.6
67.05494	3.4
69.03434	20.3
69.11162	2.2
69.33817	13.9
69.34242	8.7
73.02905	3.4
74.98716	2.3
75.86295	2.3
76.06903	2.5
79.05508	29.6
81.03423	10.1
85.02910	98.6
85.06547	40.5
87.04457	3.6
91.03952	8.8
93.07037	3.5
95.04964	3.8
95.08630	4.1
97.02895	26.4
98.88054	2.7
99.04461	4.9
105.03403	36.4
105.07031	4.2
109.02878	7.5
119.08559	3.3
121.06567	3.1
123.04433	100.0
127.03933	18.7
137.05980	7.2
140.53160	2.2
145.04964	44.9
163.06029	10.9
189.09120	8.9
224.17320	13.2
229.10768	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	386.1603
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.03954	0.7
54.03472	0.5
56.96555	0.9
58.06583	0.5
66.33418	0.4
66.78591	0.4
68.99790	1.2
69.03432	0.8
69.95373	2.0
70.06597	100.0
71.06908	0.6
79.05508	0.5
81.03422	1.5
81.07080	0.4
82.06567	0.4
84.08160	0.6
85.02908	1.6
91.05526	1.8
93.07056	1.0
95.04975	0.6
97.02905	0.6
98.97602	0.7
103.05470	0.9
105.07062	0.6
107.04957	1.4
119.04959	2.1
121.06515	2.5
123.04442	11.0
124.11216	0.5
127.03927	1.8
131.04897	0.9
135.04408	1.7
137.06009	0.5
143.03413	0.8
147.04428	6.1
149.05995	5.5
153.01842	4.2
153.02991	0.6
159.04439	0.8
161.05948	0.8
164.07014	0.4
165.05502	3.9
166.08678	0.7
172.07571	1.1
173.06023	0.4
175.07614	0.7
175.27631	0.4
177.05479	54.5
178.05832	0.5
180.10274	0.5
182.99768	0.6
186.03334	0.4
189.05495	0.9
198.09155	0.5
198.57332	0.4
201.00746	0.8
205.07339	0.4
207.06543	1.2
216.10222	1.0
217.13394	0.5
224.09274	0.4
224.12798	2.4
234.11250	4.1
244.99594	0.4
262.13303	0.5
287.57306	0.4
309.77637	0.4
329.10196	11.4
386.16046	33.7
387.16342	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01866	1.2
55.05494	2.6
56.96551	0.8
64.25321	0.6
65.03941	0.8
67.05476	2.4
69.03442	0.9
69.07059	1.5
73.40189	0.6
79.05502	3.6
81.03392	2.5
81.07063	3.8
83.08604	1.1
85.02906	1.0
91.05456	3.0
93.07030	2.8
95.04945	2.5
95.08581	2.6
96.08959	0.6
97.10133	0.6
98.21600	1.2
98.97576	5.8
103.05435	0.8
103.26460	0.7
105.07002	2.8
107.04935	1.0
107.08606	3.5
109.10141	1.3
113.46250	0.6
115.05418	1.1
116.98605	2.3
117.07015	1.2
119.08580	2.2
121.02826	0.7
121.06439	1.3
121.10104	0.7
123.08015	0.7
129.06969	2.0
131.04912	0.8
131.08536	1.9
133.06529	1.4
133.10091	1.3
134.99643	0.7
135.08044	0.7
137.05989	1.5
143.08525	1.3
145.06459	1.2
145.10091	1.0
147.04366	1.1
149.02345	13.9
149.03445	0.9
151.07436	0.6
155.08469	1.1
156.96594	0.6
157.10114	1.0
158.99686	3.0
159.08086	1.5
161.09569	1.2
161.13109	0.6
167.07021	0.8
175.03864	0.9
177.00671	3.0
179.08546	0.6
181.04852	1.1
193.04971	12.2
193.12177	4.3
197.13307	0.9
215.14211	0.7
219.01892	0.8
231.06239	0.7
250.06270	0.8
255.13737	1.0
257.15707	0.8
275.31033	0.7
313.07086	0.7
325.11154	1.2
341.06357	1.9
349.21530	1.0
357.13156	0.9
359.07220	1.2
367.11703	0.7
367.22546	3.8
385.08893	11.1
385.13165	2.3
385.21924	100.0
386.22314	1.9
403.78885	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2198
Annotation	Lys Thr His
Peak:m/z	Relative Intensity
51.43537	0.5
51.78976	0.4
55.05518	0.4
56.96552	0.9
67.05486	1.1
69.07055	1.0
70.75700	1.1
70.76022	0.5
79.05504	0.8
81.03409	0.6
81.07054	1.2
93.07018	0.8
95.08597	1.7
98.97580	12.0
99.04451	0.5
105.07030	1.4
107.08572	1.2
107.53437	0.5
109.10169	1.1
116.98617	4.1
119.08564	1.1
121.10139	0.8
133.10141	0.7
134.99681	1.0
135.04379	3.0
137.05994	1.3
137.65442	0.5
145.06540	0.5
145.10146	0.4
147.11607	0.4
151.03955	0.6
157.11307	0.5
158.99666	5.6
160.62976	0.4
161.09612	0.5
167.07007	1.1
175.14822	0.5
177.00697	4.7
177.16374	0.8
181.05016	1.0
186.03294	0.4
193.10036	0.4
219.01781	1.0
323.09262	0.5
385.21954	100.0
386.22232	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	385.2197
Annotation	Lys Thr His
Peak:m/z	Relative Intensity
57.89420	0.4
61.17753	0.3
64.30991	0.3
66.22977	0.4
70.81970	0.8
78.07449	0.3
79.05466	0.5
86.83485	0.4
91.72703	0.3
100.79672	0.3
105.07028	0.5
115.05405	0.4
119.91995	0.3
137.05925	0.5
149.02336	0.5
151.03926	0.4
183.78915	0.4
188.99677	0.3
202.44913	0.3
207.08072	0.4
307.09763	0.6
314.18884	0.4
329.96631	0.4
385.21960	100.0
386.22382	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.0
55.01865	0.4
57.03430	0.3
58.63643	0.2
67.05511	0.3
69.03430	2.8
69.07069	7.3
69.64920	0.4
69.65332	0.7
71.04984	0.4
73.02902	0.2
81.03417	4.3
81.07072	0.2
83.05650	0.2
85.02908	2.0
91.05395	0.2
97.02898	2.5
97.06519	0.8
99.04460	0.8
109.02881	2.7
115.07568	0.6
119.08552	0.2
120.17599	0.2
127.03916	100.0
128.04257	0.9
144.11247	0.2
145.04936	0.9
193.08569	0.2
205.15887	0.3
217.59123	0.2
236.31914	0.2
241.10754	2.7
305.19476	0.2
385.21667	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89174	0.8
53.03934	1.0
55.55205	0.8
60.48598	0.7
69.03413	1.7
69.72876	1.9
69.73286	3.6
71.05005	1.4
78.04689	3.0
79.05498	4.6
81.03437	0.8
81.09065	0.9
85.02888	3.6
88.17345	0.8
91.05470	2.0
93.07062	1.6
95.04948	1.3
97.02849	1.2
103.05464	3.0
105.07035	11.4
106.04149	1.4
107.04966	9.2
109.06494	1.3
115.05452	4.3
117.06999	4.9
118.04090	1.0
119.08586	1.3
121.06531	4.1
122.03676	1.1
123.04432	5.1
123.08083	1.6
124.05203	3.3
128.06242	2.3
131.04890	1.6
132.05731	1.1
133.06502	8.9
137.05992	1.1
143.08591	0.8
144.05672	2.6
145.06502	6.2
149.09618	6.6
151.03940	1.5
151.07536	2.3
152.04701	1.7
153.01834	1.3
155.06061	1.9
161.05991	15.4
163.07524	1.6
163.11180	0.9
165.09105	1.4
167.07045	100.0
168.07417	1.4
171.08060	3.4
171.99654	0.8
172.05104	1.0
173.06006	6.0
181.08655	4.5
187.07552	1.7
190.06247	1.7
191.07013	2.1
192.07835	1.1
193.08618	18.4
199.07588	4.9
201.05519	1.3
205.08595	31.4
205.12199	3.7
217.08530	1.2
219.10213	1.1
223.13289	3.9
228.27696	0.8
231.10126	10.9
233.09628	1.1
238.64514	0.9
261.09103	1.4
270.02545	0.9
293.11618	1.5
294.27130	0.9
321.11270	2.8
325.10904	1.2
325.14493	2.2
353.13821	6.4
385.17072	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	385.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.8
55.01872	6.2
55.05504	7.5
57.03440	6.7
61.02933	11.8
69.03430	34.7
69.07083	3.0
70.85077	3.8
71.04987	2.9
73.02913	6.9
79.05496	8.7
81.03423	10.5
81.07078	4.0
83.04973	11.3
85.02911	70.1
86.09721	6.0
86.63754	2.1
87.04482	6.8
87.10038	4.0
91.03973	5.5
91.05469	15.9
93.07024	12.0
95.04977	12.7
95.08619	8.7
97.02895	23.3
97.06538	3.3
99.04459	3.5
105.07029	4.3
107.04978	3.1
107.08582	6.2
109.02887	8.1
109.06511	8.0
111.08111	2.1
119.08607	5.3
121.05632	4.1
121.06513	84.0
121.10192	6.0
123.08080	68.6
123.08762	1.4
127.03931	21.7
130.58876	2.2
131.08675	2.1
135.08081	6.3
135.11676	5.1
137.05978	5.5
137.09674	2.3
139.07553	23.9
145.04982	8.5
145.10107	2.3
147.04367	2.3
149.06001	6.2
149.09627	31.6
151.07582	3.7
159.11682	3.6
161.09663	4.5
163.07469	2.3
163.11156	13.1
165.09122	17.6
167.07054	11.3
177.12762	19.8
179.10623	15.8
181.12206	5.7
187.11272	2.3
187.84619	1.9
205.12241	100.0
207.13811	15.8
223.13319	31.7
301.12881	3.3
307.13147	2.0
308.37967	2.0
311.11810	2.8
385.14273	5.0
385.18494	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
56.85939	0.4
61.02918	1.0
69.03423	2.1
71.47957	1.2
81.03407	1.0
85.02897	2.9
85.06551	0.5
87.04469	0.6
91.03938	0.7
97.02874	1.6
99.04430	0.7
107.04882	0.5
120.04498	3.5
127.03917	1.3
145.04916	1.4
148.03935	22.6
153.01833	1.0
176.03433	1.6
181.70148	0.6
194.04497	58.1
204.06604	0.7
222.03981	100.0
222.14856	1.0
223.04254	1.6
312.38245	0.5
329.91046	0.5
365.78650	0.6
384.08936	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	384.1153
Annotation	Succinyladenosine
Peak:m/z	Relative Intensity
55.01848	1.3
56.96562	0.6
57.03436	2.9
61.02935	0.6
69.03415	1.5
69.88210	2.6
70.06570	1.3
71.01342	1.2
73.02904	1.0
85.02888	2.4
87.04443	0.7
94.04076	0.5
97.02876	1.0
98.97577	1.5
99.00810	0.4
105.07010	0.8
109.02821	0.5
115.03885	0.8
116.98586	0.6
121.05107	1.6
124.11265	0.5
127.03929	0.8
128.98621	0.7
133.06458	0.7
135.06619	2.0
136.06195	18.3
137.04616	0.8
138.05516	3.1
148.06190	7.1
148.11189	1.1
153.01814	1.3
155.05653	0.7
157.07890	0.5
160.06195	1.2
161.04530	0.5
162.07761	36.2
164.05579	0.5
165.05530	0.6
188.05696	12.3
192.05183	18.8
193.08595	0.6
206.06743	6.2
216.05278	0.7
222.07501	1.0
222.11328	0.6
222.14786	0.8
228.91066	0.5
229.00134	1.1
234.06230	13.0
252.07298	100.0
253.07481	0.9
286.56870	0.5
312.09534	0.5
384.11569	20.5
384.16306	2.0
384.20181	1.2
385.11710	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	1.7
70.37949	1.9
81.03432	1.2
84.08189	0.9
85.02891	1.9
97.02861	1.4
98.97633	1.5
105.07048	0.8
109.02872	1.0
124.11195	1.9
127.03925	1.5
153.01814	1.2
194.04588	1.9
195.04825	1.1
203.05276	16.5
205.04735	4.6
222.04016	0.9
223.05830	39.5
260.06818	0.9
269.96582	0.8
385.11035	100.0
386.11456	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	385.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06004	0.6
58.06691	0.6
60.50336	0.7
62.32021	0.7
69.03432	1.7
71.61128	0.8
85.02911	1.3
91.05473	1.3
92.78831	0.6
93.07045	0.9
97.02894	1.1
99.04460	1.1
100.62405	0.7
102.39017	0.6
105.07011	1.6
107.04906	0.8
107.08611	1.2
109.06527	0.7
111.08097	0.6
115.05477	0.8
117.07043	0.8
121.06491	1.9
127.03922	1.5
140.15692	0.7
149.09692	1.2
167.07083	4.2
183.91302	0.7
185.04230	3.2
205.08600	2.1
205.12242	1.0
223.09425	100.0
223.13086	2.5
241.09230	2.0
259.10431	0.9
385.14597	44.7
385.18533	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	383.2945
Annotation	desmethyl tocotrienol
Peak:m/z	Relative Intensity
53.03923	2.2
55.05510	9.5
56.87474	1.4
63.89722	1.7
67.05508	17.8
69.07065	12.5
70.29807	3.3
70.30205	2.7
79.05509	12.8
81.07059	49.2
83.08613	6.3
85.73599	1.6
91.05470	18.9
93.07042	31.7
95.04975	2.8
95.08031	3.2
95.08613	43.1
97.10168	4.4
98.21494	1.9
105.07030	52.0
107.08597	38.2
109.10156	14.9
113.64580	1.4
117.06982	4.0
119.07775	3.5
119.08584	51.5
121.10142	20.4
123.11703	4.5
129.07080	1.9
129.37015	1.5
131.08572	7.3
133.10138	28.5
135.11713	9.7
143.08566	5.1
145.10114	10.7
147.11682	24.4
149.13260	59.2
153.09039	1.8
157.10153	4.0
159.11694	13.6
161.13263	100.0
163.14819	21.9
171.11716	8.1
173.11807	2.0
173.13243	5.1
175.13263	3.9
175.14819	81.4
177.16399	23.0
185.13217	4.9
187.14812	3.6
189.16389	31.9
191.17920	3.4
193.15973	5.1
199.14793	4.5
201.16443	4.0
213.16447	8.8
215.17949	5.5
221.15395	11.5
226.17268	1.8
227.18048	2.4
235.16887	3.8
241.19540	27.9
255.21115	3.0
267.21033	4.8
301.21738	7.9
313.21695	3.7
337.28909	54.7
365.28452	2.7
383.29480	88.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.05515	12.3
57.07065	3.5
57.69497	2.2
62.12622	2.0
66.93588	2.2
67.05504	19.1
69.03436	3.0
69.07069	11.6
69.64062	9.1
69.64474	5.0
79.05500	16.4
81.03425	4.9
81.06575	2.8
81.07058	51.1
83.08633	4.9
85.02882	3.2
91.05482	20.3
93.07056	33.8
95.04968	3.7
95.08607	45.8
97.10167	4.5
98.20736	4.6
98.97571	3.4
105.07039	50.3
107.08598	32.4
108.32687	2.3
109.10172	8.9
113.22328	2.3
117.07039	8.3
119.08588	58.9
121.10149	21.4
123.11733	5.1
125.89117	2.5
131.08557	6.8
133.10150	29.7
135.08105	2.4
135.11728	12.3
137.05879	2.1
143.08611	5.4
145.10144	10.2
147.11688	23.8
149.13266	51.3
157.10150	5.6
159.11673	12.5
161.13263	100.0
163.14835	17.5
171.11703	9.3
173.13203	5.4
175.14841	66.2
177.16382	20.5
185.13245	3.4
189.16402	34.5
189.18069	2.8
193.15837	5.3
199.14812	4.1
201.16338	2.9
202.10434	3.9
203.14314	2.7
213.16356	6.1
215.17952	5.3
221.15366	12.8
227.17900	3.4
229.08391	2.3
233.00529	2.4
235.16937	3.7
241.19540	28.7
248.08345	2.5
248.72748	2.3
255.20992	5.9
267.21143	4.8
292.07404	2.8
301.21616	7.0
313.21219	2.5
337.28909	46.6
351.12448	3.0
383.14914	10.2
383.29471	78.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0951
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21812	2.8
70.08755	5.8
70.09132	5.2
86.96345	3.5
148.06760	3.5
159.47395	3.1
287.84357	2.8
383.09525	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13025	0.7
53.51361	0.6
53.98176	0.6
69.03418	1.6
70.26353	3.0
81.03418	0.9
85.02892	3.7
94.06545	0.8
97.02891	1.5
121.25945	0.8
130.06538	51.7
131.06128	0.8
132.04465	4.9
140.70361	0.8
142.06522	0.7
143.70488	0.7
144.08127	1.4
148.07567	1.2
157.07622	87.1
158.06026	11.3
159.09172	0.9
175.08675	13.3
185.07140	4.5
200.07039	0.9
203.08168	100.0
204.08487	1.6
217.09669	1.1
221.09222	10.8
245.09200	1.2
263.10291	2.0
331.64063	0.8
365.13412	0.9
383.09140	0.7
383.14413	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.5
55.01872	5.5
55.05515	47.9
57.03425	8.6
59.36919	3.2
61.02909	13.7
63.22486	3.9
67.05496	20.2
69.03129	3.5
69.03431	51.6
69.07056	14.2
69.49912	10.9
69.50322	12.9
70.06569	4.9
71.04975	8.1
73.02906	10.3
78.40921	3.8
79.05474	15.9
80.22083	3.4
81.03423	20.6
81.07053	37.8
83.04987	21.1
83.08596	6.1
85.02904	64.4
86.09729	3.4
87.04445	12.4
91.05481	24.9
93.07030	20.6
95.04962	15.2
95.08609	18.8
97.02893	25.7
97.06506	6.0
98.21465	4.5
98.97558	11.4
99.04434	7.9
100.11237	8.5
105.07047	32.2
107.04999	4.0
107.08601	21.7
109.02871	8.8
109.06513	20.9
109.10164	8.3
111.08068	4.6
111.11675	3.6
117.07070	8.5
119.04953	5.3
119.08581	56.1
121.06516	4.5
121.10149	28.5
123.08077	9.4
127.03891	9.9
128.06235	5.2
129.06932	3.5
131.08571	6.7
133.10139	63.7
135.08034	6.4
135.11664	5.6
137.05998	6.1
137.09627	6.8
145.04947	6.4
145.10104	14.0
147.04373	7.3
147.08057	64.4
147.11707	8.8
149.02298	4.4
151.11195	7.7
155.08521	4.1
157.10103	8.0
159.11707	10.4
161.09703	18.7
161.13260	100.0
165.09122	18.7
170.10907	6.5
173.13301	6.1
175.11206	8.5
175.14789	41.0
185.13263	11.3
188.12027	3.9
191.14362	7.3
203.14314	85.5
217.12241	3.7
221.08154	6.0
221.11559	14.7
221.15373	72.5
247.07567	8.0
291.10101	6.6
293.07755	4.3
307.09579	4.9
321.07300	4.0
323.12781	5.6
351.12372	9.7
353.09943	8.3
354.09888	3.7
365.97498	4.0
383.14859	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.28
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	34.8
56.05033	48.2
56.96562	10.3
57.07077	10.9
61.02915	9.7
66.13023	9.0
69.07072	49.1
69.78945	47.4
81.03416	7.7
83.08627	30.3
84.04482	10.1
85.02909	11.6
97.02879	11.5
97.10162	54.7
98.20795	11.6
99.20290	7.4
107.88001	6.8
111.11716	30.6
116.47203	7.5
118.71333	8.5
137.06027	11.8
147.08173	9.2
149.02368	73.3
185.19019	67.6
193.04959	100.0
259.08615	16.6
267.09146	14.3
285.10193	8.7
327.41953	8.0
382.12964	11.0
382.21832	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	382.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	51.1
57.16191	9.6
59.25221	9.9
60.36212	10.2
67.05499	15.4
69.07066	59.8
69.36214	100.0
69.77235	9.6
81.03426	11.1
83.08616	50.0
85.02914	23.4
96.78410	11.1
97.10172	42.6
98.97568	13.3
111.11698	38.7
149.02409	14.6
153.04440	10.0
185.19061	56.7
193.04982	26.6
345.81842	9.5
391.58032	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	382.9986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63811	0.4
54.98673	0.4
56.96565	8.6
70.23954	0.6
70.24368	1.1
71.95278	2.2
89.54039	0.4
93.70263	0.3
98.21506	0.4
98.97582	100.0
105.03413	0.4
108.90112	0.3
116.98623	54.7
119.01872	0.4
120.52870	0.4
134.99655	21.2
140.00194	1.2
153.00713	1.6
158.01305	0.8
168.85066	0.4
174.97656	0.4
181.03476	0.4
189.00430	0.4
198.97823	0.6
201.82306	0.4
207.01419	1.0
216.64207	0.4
216.98796	1.1
219.01952	0.6
234.99780	1.6
240.98631	6.7
258.99774	72.8
260.00021	1.7
261.03009	1.0
274.97675	0.6
277.00824	81.8
278.01010	1.8
279.01025	0.5
282.01477	1.3
282.99902	3.3
284.00122	0.5
284.99875	1.0
295.01953	0.5
299.97934	0.4
300.02371	2.1
301.01031	4.3
302.01123	0.4
303.00851	1.1
316.99219	0.6
317.98920	0.7
359.00333	0.5
378.17532	1.8
382.99945	1.3
401.01270	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	381.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.6
57.07060	4.4
60.49933	1.5
61.00092	1.5
67.05509	12.3
69.07064	13.7
78.69558	2.0
79.05498	8.7
81.07059	40.2
83.08614	9.0
91.05476	6.7
93.07051	15.6
95.08609	53.0
97.10165	4.8
99.91013	1.5
100.56777	1.7
105.07029	19.2
107.08599	24.6
108.67587	1.6
109.10157	33.6
117.07056	2.2
119.08574	22.4
120.67460	1.7
121.10140	23.8
123.11713	15.2
131.08571	6.1
133.10146	16.2
135.11711	13.0
137.13254	11.6
140.08316	2.1
145.10147	7.9
147.11717	9.5
149.13239	13.4
151.14784	3.9
157.10085	3.2
159.11699	7.4
161.13240	8.8
163.14861	9.1
167.67220	1.9
173.13292	7.1
175.14836	10.6
177.16418	10.9
187.14857	6.4
189.16423	10.0
191.17915	10.0
201.16432	2.9
203.17989	6.5
205.19507	3.6
212.08215	1.7
215.17995	6.3
217.19550	6.3
229.19626	10.2
231.21161	10.0
243.21115	9.3
245.22653	4.4
252.63031	2.0
255.21268	1.9
257.22601	10.3
271.24112	2.9
275.20090	2.6
285.25781	4.3
311.27469	3.0
372.70786	1.7
381.35190	100.0
382.35559	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	382.171
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
59.05009	2.4
59.77470	2.0
61.02942	2.6
67.05479	2.8
68.24662	1.8
69.03429	3.0
69.07079	3.6
70.01685	9.7
70.02957	4.8
72.04504	8.9
73.02920	2.9
75.30953	2.0
85.02899	5.9
85.06519	3.8
86.09710	4.8
90.05034	3.3
90.05561	59.4
95.04994	2.8
97.02943	3.0
98.02422	8.4
98.97570	2.1
103.07595	2.7
110.97590	3.8
116.03449	8.6
123.79601	2.0
124.07606	10.3
128.98686	3.0
137.05952	2.9
142.08643	4.1
153.01805	2.3
162.09195	3.3
163.09898	5.8
170.34724	2.2
174.09126	2.5
174.11197	3.0
176.07962	2.2
184.09688	15.1
192.10289	2.6
202.10753	24.1
202.12444	3.2
215.84911	2.1
220.11761	100.0
322.12814	3.2
382.14755	13.3
383.09509	6.5
385.61383	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	381.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81384	4.7
55.05500	14.9
57.07075	10.0
59.33002	4.3
67.05508	43.8
69.03401	9.2
69.07056	9.0
70.14581	14.3
70.14935	10.4
71.05003	32.8
81.07059	46.2
83.08610	23.4
85.02882	14.4
85.06528	27.4
87.10183	4.9
95.08608	76.4
97.10168	6.7
98.97562	6.3
99.08065	7.0
105.07032	6.6
109.09462	6.1
109.10158	71.6
121.06509	4.9
123.11699	13.6
165.16302	6.2
183.17450	100.0
201.18504	15.9
219.06543	28.3
219.19539	13.9
259.41217	5.1
381.11514	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	381.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70205	2.6
55.05513	13.9
56.80663	2.6
57.07081	4.5
67.05505	31.9
69.07069	8.3
69.63664	8.1
69.64078	10.0
71.05005	24.0
73.64264	2.7
74.57734	3.1
75.84812	2.5
78.61608	2.8
81.07057	39.1
83.08620	14.7
85.02907	8.2
85.06553	36.8
85.69034	2.8
93.07050	2.7
95.08610	60.6
97.02864	4.0
97.10158	5.9
108.33536	2.6
109.10161	45.8
119.08600	2.6
123.11730	9.0
149.08633	2.8
149.09924	2.6
165.16431	6.9
183.17453	100.0
183.19073	5.6
191.29477	2.2
201.18533	21.8
219.19620	9.3
233.24915	2.5
381.15112	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	381.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09418	8.6
51.84570	7.8
53.29098	7.4
55.05494	15.9
67.05499	33.2
71.04980	19.9
71.10667	20.1
79.05493	8.9
81.07079	52.8
83.08611	25.1
83.15017	8.9
85.06535	17.0
95.08610	100.0
109.10166	90.7
123.11703	12.7
162.08734	8.2
165.16318	10.5
180.36101	8.4
183.17416	53.9
201.18521	44.9
264.70633	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	381.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	28.0
61.56949	5.8
67.05511	43.1
69.03403	8.2
69.07046	8.2
70.75084	12.8
71.04990	33.0
79.05486	7.7
81.07055	54.1
83.08622	29.0
85.02905	8.2
85.06538	36.9
85.19942	6.9
95.08617	100.0
97.10174	8.7
99.08106	26.5
108.05643	6.7
109.10163	80.7
123.11690	16.1
162.30331	7.0
165.16454	11.0
183.17424	73.5
201.18558	67.7
219.19565	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	380.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01904	4.7
55.05507	14.2
57.07078	100.0
59.04990	6.2
63.18680	4.6
67.05504	17.3
68.69523	4.3
69.03428	8.7
69.07053	10.2
71.21766	8.7
79.05494	4.2
81.03434	5.2
81.07063	20.1
83.08636	9.7
85.02913	19.6
85.06550	73.5
91.05466	8.3
93.07028	5.4
95.08608	45.5
105.07032	13.1
106.07349	6.2
107.08504	6.2
109.10163	29.1
113.09641	5.2
119.08581	5.8
121.10121	11.4
123.11738	9.3
131.08574	17.3
132.08879	9.4
141.59767	4.3
145.10150	28.0
146.10500	16.3
165.16389	19.8
173.13313	8.5
174.13644	7.6
175.14928	4.3
180.20634	4.3
183.17458	84.8
188.15198	5.8
201.18497	92.4
218.08131	8.8
335.49670	4.9
380.13907	5.4
380.33817	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	381.0797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68894	6.5
70.31773	27.1
77.15578	6.9
158.90666	9.0
213.78792	7.4
240.91681	7.3
381.07944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.5
55.05495	8.9
56.96326	4.2
56.96572	62.3
57.03433	10.3
57.07063	8.9
61.02689	2.7
61.02931	29.2
67.05505	25.7
69.03416	13.1
69.07063	15.5
69.38708	24.2
70.42223	3.3
71.04984	4.1
71.08610	5.1
71.95250	4.9
73.02906	13.4
79.05496	21.7
81.03419	12.4
81.07062	35.4
83.08604	6.8
85.02902	27.0
85.06516	4.7
89.06042	16.1
91.03968	15.1
91.05479	12.8
93.07043	35.4
95.08608	25.0
97.02887	27.8
97.06518	3.2
97.10181	4.4
98.97584	11.6
99.04490	4.3
101.02372	4.6
105.07021	15.1
107.08587	18.0
108.41878	3.1
109.02877	4.0
109.06522	5.6
109.10142	17.6
116.98619	8.8
117.07060	3.5
119.08579	13.4
121.10128	14.9
123.11736	7.5
127.03934	8.9
128.98544	3.8
131.08549	6.8
133.10083	4.9
135.11687	11.8
145.04955	4.0
145.10106	10.1
147.11705	6.2
149.13252	5.3
155.03645	3.1
158.99568	3.5
159.11661	5.1
161.13214	4.6
163.11234	4.5
163.14909	3.0
165.12759	3.6
167.02322	3.3
171.03366	3.9
171.11736	4.6
173.13226	6.1
177.00749	4.6
181.05342	3.6
185.04971	5.1
199.06390	13.6
201.07756	4.6
217.07542	12.2
237.07942	9.8
239.09497	10.6
247.06450	4.3
251.08777	5.4
255.09047	48.7
261.22113	4.8
265.07489	32.5
273.10245	25.3
278.10571	9.0
283.08533	100.0
283.15314	3.8
284.08835	6.8
301.09622	74.6
302.09799	6.0
306.10153	13.7
307.10446	4.3
317.17935	22.3
324.11194	3.7
335.18796	3.5
335.25751	22.6
381.19412	4.6
381.26385	4.1
381.31442	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	380.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14576	2.9
52.58955	2.7
55.05502	10.3
57.03178	4.6
57.03438	62.3
57.07046	4.1
65.26433	3.2
66.62040	3.0
67.05513	15.0
69.03390	3.6
69.07070	21.8
69.52964	23.7
77.66519	3.5
81.03423	4.7
81.07050	22.2
83.08596	6.7
85.02900	22.8
85.06544	6.2
87.08109	7.5
95.08609	40.4
97.02868	4.1
97.10177	24.0
97.81017	3.0
98.97524	4.1
109.10155	55.9
111.11693	6.1
123.11696	14.6
127.03872	3.5
130.07779	2.9
145.04942	4.0
165.16383	44.6
183.17438	84.4
201.18478	100.0
218.08118	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	380.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10548	4.2
56.96552	18.2
57.03419	8.1
59.44672	4.7
60.58961	5.2
61.02908	12.3
67.05501	11.9
68.30796	4.5
69.03424	9.1
70.99717	9.1
71.00046	7.1
71.08631	78.4
73.02902	5.6
81.03411	18.3
81.07040	19.7
82.86766	4.7
83.08625	12.0
85.02914	25.1
91.05470	9.2
95.08585	19.6
97.02901	11.4
99.04411	5.7
99.08092	84.4
105.07038	7.8
106.18314	4.8
109.10136	14.6
145.04941	6.1
145.10146	6.4
147.70831	4.6
165.16322	9.2
183.17435	80.8
185.04893	8.2
185.73248	4.9
193.12218	6.8
201.18483	100.0
218.08183	7.6
225.71532	4.8
259.10153	6.9
267.09079	45.3
267.15918	8.5
271.49496	4.8
273.10074	5.4
285.10089	30.3
299.11667	8.7
312.61893	4.9
317.12915	6.9
339.14606	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	380.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	4.1
55.05505	5.5
55.91306	2.4
57.03434	2.7
59.04992	9.3
61.02917	5.2
67.05505	5.4
69.03452	3.9
69.07061	2.8
69.28185	2.2
70.71487	2.9
70.71844	7.3
71.04961	3.2
75.56458	2.3
79.05488	5.7
81.03422	4.0
81.07061	19.6
82.07854	2.5
83.08623	5.5
85.02905	14.2
85.06555	17.1
91.05462	6.4
93.07029	6.6
95.08601	11.3
97.02874	5.1
99.08082	2.9
105.07046	8.3
107.08600	71.8
109.06501	11.1
109.10152	8.1
119.08562	4.9
121.02847	8.9
121.10152	44.4
121.89171	2.3
123.08062	12.1
123.11707	36.9
125.09644	35.4
127.03978	2.8
127.32492	2.6
135.11632	3.4
137.09608	21.7
137.13286	4.2
147.11691	46.7
153.01836	6.4
165.12761	100.0
183.10219	4.4
183.13812	98.5
201.13174	3.7
201.14883	38.7
218.08086	13.5
233.00829	4.0
256.10101	2.6
259.02420	2.5
261.12717	6.6
277.88434	2.3
362.12726	4.5
380.13190	8.7
380.17361	2.7
381.14774	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	379.1576
Annotation	Abafungin
Peak:m/z	Relative Intensity
50.03804	0.4
60.39426	0.3
70.00713	0.7
70.01109	0.8
71.95853	0.3
82.01249	0.4
119.31439	0.4
137.05943	0.6
156.35847	0.4
156.96484	0.4
181.50214	0.4
184.26311	0.4
217.10495	9.7
217.12460	0.8
304.71155	0.4
308.97577	0.4
379.15759	100.0
380.16147	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14325	0.2
60.04510	0.3
65.03950	0.2
69.03424	0.4
69.49318	1.3
84.24656	0.2
85.02901	0.5
86.09696	0.2
98.85519	0.2
118.89413	0.2
131.04964	1.0
142.04974	0.3
144.08101	0.2
145.06416	0.4
147.04369	0.2
147.06856	0.3
165.08968	0.2
172.07579	0.4
178.41115	0.2
190.08632	1.8
200.07115	0.5
218.08130	100.0
219.08438	2.0
281.14484	0.2
380.13330	1.1
381.15433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01604	0.6
55.01838	2.3
60.04535	0.5
69.03427	0.8
70.72400	0.7
70.72759	0.8
79.05495	1.0
81.03407	0.4
81.07056	8.0
85.02931	2.3
97.02887	0.7
108.74364	0.3
109.02916	0.4
109.06520	5.5
116.07240	0.3
127.03969	0.7
137.05980	100.0
138.06340	1.6
153.01901	0.4
165.05505	3.9
183.06535	47.0
218.08136	5.2
273.90457	0.4
362.25076	0.6
380.13181	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	5.9
61.02913	4.9
67.05489	15.8
69.03432	18.0
69.07066	4.2
71.34018	7.6
73.38745	3.4
81.03399	4.9
81.07051	18.4
85.02921	21.1
91.05460	9.9
93.07066	17.3
95.08614	62.0
95.09161	7.5
97.02875	8.9
99.04467	6.4
105.07050	4.3
109.10154	61.8
119.08591	26.9
127.03870	5.3
137.09627	100.0
145.04962	4.1
155.10666	32.6
165.09128	57.6
183.10161	49.4
201.11223	97.1
202.90712	4.0
217.04626	8.5
218.05064	13.6
218.08093	5.1
371.83450	3.7
380.10208	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	379.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10583	1.2
50.11357	1.2
53.03936	2.9
55.01866	2.0
65.03943	11.5
67.05505	4.2
69.03442	6.5
69.07079	1.3
69.67458	6.8
69.67881	2.7
70.06583	2.2
73.40205	1.2
79.05486	4.0
80.31094	1.2
81.03417	1.6
82.04202	3.3
83.04956	1.5
84.08138	1.7
85.02908	6.5
86.09730	2.0
91.05476	11.2
93.07053	2.2
95.05006	2.6
97.02914	1.7
97.06528	2.5
99.04461	1.3
104.88293	1.3
105.07028	2.8
107.04961	5.2
108.02087	2.6
109.02859	1.8
109.06531	1.7
110.03662	3.2
111.04475	3.0
116.98595	1.2
118.04135	1.5
119.04967	5.5
121.06499	6.0
121.07278	1.3
121.30159	1.4
123.04471	2.1
123.08097	2.1
123.12877	1.3
124.11269	2.1
125.05979	2.4
127.03908	2.0
133.03026	1.4
133.06548	2.1
135.04395	1.4
136.05232	2.6
137.05988	4.1
138.03084	3.2
142.02603	3.0
145.06435	1.9
146.03642	2.3
147.04375	3.0
151.07552	5.5
153.01857	5.7
153.05519	2.6
161.05997	3.8
164.04681	3.3
164.49199	1.3
165.05594	2.5
165.06978	2.4
167.07028	13.7
169.06409	1.8
169.64882	1.3
171.06590	4.4
179.07042	48.0
181.04967	92.9
181.06384	5.5
181.08438	8.3
183.08078	1.7
188.94923	1.8
191.07080	1.7
192.04193	3.8
193.08539	3.2
195.08109	1.6
198.06796	2.4
207.06534	100.0
208.09825	1.7
209.05991	2.2
213.09131	3.6
217.04784	2.8
218.08220	8.7
226.06300	2.8
241.08640	6.0
258.13245	1.6
269.08127	3.6
271.06027	2.1
273.11151	6.9
280.58716	1.3
286.08459	2.5
298.08008	1.6
301.10687	10.7
302.11411	2.9
329.10410	2.3
333.13315	21.6
361.12985	4.5
379.06339	5.4
379.10114	1.7
379.14032	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	379.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27020	1.1
53.03938	1.1
58.07062	1.2
58.52458	1.0
65.03963	1.3
67.05515	2.2
69.03448	1.9
70.06602	3.1
70.12894	1.1
71.05005	1.3
71.33406	2.6
79.60108	1.3
81.03429	2.3
83.05002	1.6
85.02930	3.1
86.09717	1.3
91.05491	3.3
93.07068	1.5
95.01353	1.2
97.02911	2.0
113.02411	1.1
120.04501	1.4
122.06082	2.1
124.07603	1.2
136.03973	1.3
136.07581	2.0
148.50839	1.1
153.01842	2.6
153.05576	1.4
154.02245	1.2
154.55147	1.4
162.09178	2.3
167.07115	2.0
167.75612	1.3
167.79857	1.2
172.06133	1.6
179.07072	5.5
180.10194	2.5
180.67262	1.2
181.05031	10.1
181.06522	1.7
181.08652	1.7
185.04222	63.4
196.15442	1.2
200.10510	1.1
207.06520	10.5
207.08080	1.3
208.09662	6.1
217.04713	16.0
217.08629	1.2
218.08124	8.5
271.51282	1.2
300.48822	1.2
301.11072	1.9
307.44904	1.2
333.13858	1.6
343.13068	2.6
347.12701	1.4
361.13959	4.2
379.06348	10.8
379.10214	100.0
379.14835	6.2
380.10080	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1549
Annotation	Bruceolline K
Peak:m/z	Relative Intensity
60.88238	0.2
65.03957	0.2
69.03412	0.2
70.06183	0.1
70.06574	0.1
70.84647	0.3
81.30289	0.2
85.02888	0.4
91.05470	0.7
92.34843	0.2
95.08605	0.2
99.48546	0.2
117.07064	0.2
126.00992	0.2
126.05534	0.2
128.06134	0.2
129.07021	0.6
135.08075	0.2
137.05952	0.2
142.04985	0.3
143.08589	0.3
153.09071	0.3
153.50716	0.2
163.07564	0.5
199.09633	0.1
216.10208	100.0
217.10594	1.8
224.05902	0.2
244.38916	0.2
258.56976	0.2
270.15955	0.2
378.15515	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83664	0.4
55.05522	0.6
57.03423	0.6
66.59316	0.4
67.82460	0.4
69.03429	4.0
71.04974	0.5
71.61066	0.8
79.05504	0.5
81.07047	0.6
83.04977	0.9
85.02905	1.6
87.29122	0.5
91.05474	0.7
93.07049	0.5
95.04968	0.7
95.08601	0.7
97.06606	0.4
98.97555	0.7
105.07047	0.8
107.04973	0.6
109.06489	0.6
119.05010	0.6
123.11725	0.6
127.03879	0.7
137.05984	1.4
140.04951	1.5
151.03899	1.7
153.01872	0.7
159.09161	1.6
163.07550	1.1
165.22420	0.5
167.05905	2.7
167.07233	0.9
178.01540	0.5
185.07111	100.0
186.07387	0.7
187.07527	0.5
213.06598	89.2
214.06894	1.2
216.10150	2.1
242.77126	0.6
292.57214	0.4
323.16727	0.5
335.12430	0.6
341.11078	0.8
359.12222	3.1
377.13394	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	377.1593
Annotation	CHEBI:66036
Peak:m/z	Relative Intensity
51.02379	0.5
52.87533	0.3
53.03945	1.2
55.01908	0.4
65.03921	0.4
66.04711	1.2
67.05495	0.6
69.03436	0.6
69.82818	2.1
77.03930	1.1
78.04724	0.7
79.05502	4.7
81.07053	1.3
91.05484	5.7
93.07057	0.9
94.04190	2.2
95.04984	1.7
95.08632	0.3
98.97594	0.5
105.03382	0.7
105.04504	0.7
105.07058	0.7
107.04951	1.8
108.05753	3.8
109.06523	14.4
120.05731	0.7
121.06510	2.1
123.04416	1.1
124.05221	0.9
125.05991	0.8
135.04390	2.0
135.08038	0.6
136.05215	0.7
137.05983	12.4
138.06761	1.6
139.07526	4.1
147.04459	0.6
148.05190	10.9
149.06004	3.0
151.03889	1.3
151.07547	2.7
153.09081	0.5
155.07047	5.5
161.06021	0.4
162.06824	0.9
163.07518	1.4
165.05536	0.4
166.06259	1.6
167.07043	95.3
168.07407	1.2
176.04715	0.4
177.05478	18.5
179.06993	0.7
181.08597	100.0
182.08904	1.2
191.07024	5.4
192.07817	37.8
193.04987	0.8
193.08432	1.1
208.07344	0.8
209.08029	1.9
214.93565	0.4
223.09656	25.0
239.14943	0.4
286.10031	0.4
388.45114	0.4
402.61511	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1786
Annotation	Pro Phe Asn
Peak:m/z	Relative Intensity
59.42341	0.3
69.03418	1.5
70.06589	1.5
71.61082	0.4
72.08147	0.5
74.06056	0.3
81.03403	0.4
84.04520	0.5
84.08133	0.6
85.02897	1.2
85.06537	0.4
86.06093	0.4
86.09729	0.4
87.37324	0.3
91.05495	0.6
92.21643	0.4
95.04952	0.4
97.02876	0.6
102.05529	0.7
107.08569	0.4
111.08068	1.0
112.08420	0.6
124.11240	0.6
125.09623	0.4
126.01049	0.8
126.47947	0.4
127.03937	0.6
130.06590	0.5
153.01837	1.0
153.09096	0.4
181.08554	0.5
197.11746	0.6
201.00659	0.7
206.08156	0.5
211.07747	0.3
214.14442	0.6
215.05798	0.9
215.09131	0.5
215.12561	7.1
215.14729	1.5
216.10248	0.6
249.51157	0.4
250.84422	0.4
288.09943	1.0
303.12350	0.5
377.17841	100.0
378.18213	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	25.1
55.05497	30.1
67.05508	58.8
69.03413	52.0
79.05508	44.8
81.03461	27.4
81.07058	95.7
83.08582	31.0
85.02888	40.3
91.05491	73.7
93.07030	71.2
95.04945	48.4
95.08605	100.0
97.02924	36.5
105.07043	76.8
107.08599	46.2
109.02869	33.0
109.06537	32.8
117.07004	28.7
119.04920	22.1
119.08580	35.3
123.07999	29.4
129.95874	26.2
133.10164	37.1
137.09558	28.1
145.10168	27.6
161.13246	68.2
179.14264	42.8
210.50046	28.1
214.95892	33.4
219.67494	22.0
305.17535	33.5
334.11304	32.6
345.34933	28.2
377.19547	55.6
378.06055	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	378.1549
Annotation	Bruceolline K
Peak:m/z	Relative Intensity
53.03935	0.5
55.05504	0.7
56.53793	0.4
56.96552	0.9
57.03428	1.0
60.04533	2.7
61.02919	1.8
65.14091	0.5
67.05488	0.9
69.03432	3.7
69.80385	2.7
70.06581	1.7
72.08134	0.5
73.02909	1.8
74.93238	0.4
79.05495	0.8
81.03396	1.9
81.07046	0.5
84.08126	0.5
85.02914	4.7
86.09716	0.6
87.04441	0.7
91.05481	1.0
93.07018	0.6
95.04972	0.7
96.04491	0.4
97.02887	1.9
98.97572	0.7
99.04477	0.6
107.08595	0.5
109.02882	1.4
116.07095	0.5
119.91139	0.5
121.06480	0.5
121.10242	0.5
124.11249	0.6
125.02385	1.0
127.03932	1.6
130.06599	0.6
137.05956	0.6
144.08087	2.0
145.08946	0.5
153.01854	2.2
155.07288	0.6
160.07617	1.1
162.09013	0.6
163.07576	0.5
168.08003	0.6
170.09665	3.1
172.07582	39.7
173.08278	1.9
180.10226	0.6
181.08707	3.3
183.06795	2.1
184.07594	5.2
186.09204	1.1
196.07596	1.2
197.08368	0.6
198.09155	17.9
199.09692	2.0
208.09698	0.7
216.10219	77.5
217.10536	1.4
258.11307	2.4
266.99542	0.5
277.03491	1.3
342.22543	0.6
360.23938	1.2
378.15488	100.0
378.64578	0.6
379.15604	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	376.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84421	0.4
55.05501	0.6
57.03434	1.4
61.02924	1.1
67.05473	0.6
69.03424	2.8
69.07047	1.6
69.26089	5.2
71.04981	2.0
79.05480	0.6
81.03411	1.9
81.05803	0.5
81.07043	0.9
82.06583	0.8
85.02900	5.6
94.06561	0.8
95.08604	0.8
95.40224	0.5
96.08121	1.5
97.02902	2.5
97.06526	3.1
107.08639	0.9
108.08117	1.2
109.02873	0.8
109.10131	0.7
116.51437	0.5
120.08083	0.5
122.09653	2.3
123.08088	1.4
124.07599	26.1
126.09142	1.8
127.03928	4.6
128.04292	2.9
136.11203	3.0
137.05965	0.7
137.09602	0.8
138.09143	22.0
140.10704	1.2
145.04929	1.0
150.09166	0.6
150.12781	9.5
152.10709	1.8
160.11261	1.0
161.09637	0.7
178.10818	1.0
178.12285	13.5
178.32048	0.5
179.10641	1.2
196.13324	4.2
214.14389	100.0
215.14682	0.8
216.07552	0.5
220.45993	0.5
226.14247	0.5
243.08688	2.2
243.10873	0.5
256.15527	0.6
376.13873	0.7
376.14645	0.8
376.19745	6.0
377.14557	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	6.1
56.05037	10.3
57.03436	0.6
57.07080	4.0
58.02966	6.8
58.06599	3.1
59.05011	0.4
60.04528	45.0
61.02930	0.6
67.05499	1.4
68.05026	1.5
69.03066	0.7
69.03434	12.1
69.07069	7.7
70.79275	1.1
71.08631	1.4
72.04520	0.5
74.06078	1.4
79.05481	1.1
81.07058	1.8
83.08623	6.4
85.10159	0.6
85.89297	0.4
86.06068	16.6
87.04461	1.1
91.05482	0.6
93.07046	1.8
95.08624	1.5
97.06536	0.7
97.10158	3.0
103.35147	0.4
104.07110	89.3
105.07446	0.5
107.08614	0.9
109.10190	0.7
111.08070	0.7
111.11692	0.7
114.09161	0.4
121.10140	1.2
122.08144	28.0
123.11608	0.5
125.09614	0.5
132.06584	0.6
149.13254	0.5
254.24884	0.8
265.49475	0.4
272.25848	1.8
340.28452	3.4
358.29526	100.0
359.29913	2.5
376.26135	0.7
376.30548	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	377.0482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45412	4.3
69.77728	4.4
79.43929	6.1
85.02881	7.6
101.00835	6.7
119.01904	10.3
119.28699	5.0
126.67286	4.3
131.01903	9.2
132.16216	4.4
133.20851	4.4
145.03511	5.5
153.78049	5.8
155.01935	6.5
157.03490	8.0
161.02959	7.5
173.02977	5.1
184.99384	4.7
195.01447	7.9
213.02481	13.2
225.02534	5.0
231.03552	7.8
275.02527	14.9
317.03598	5.6
367.94263	5.2
377.04822	100.0
377.08984	4.0
396.95047	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	377.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01855	0.4
56.96553	0.4
57.03423	0.4
61.02933	1.7
62.35984	0.4
65.81562	0.2
69.03416	1.9
71.30135	0.7
81.03415	2.3
84.04524	0.3
85.02908	3.7
97.02911	2.8
99.04456	0.6
109.02880	2.8
127.03918	100.0
128.04224	1.0
145.04939	1.4
149.82993	0.3
175.66055	0.3
218.44777	0.3
233.06587	0.4
237.03021	0.5
274.53345	0.4
297.06201	0.3
317.09183	0.3
377.14053	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.7
55.01883	1.8
55.05520	1.5
56.96576	2.6
57.03423	2.0
57.90198	1.6
64.90327	1.5
65.03960	1.8
67.05484	2.0
69.03445	10.7
70.01530	5.3
70.01948	2.9
70.06597	3.0
70.70288	1.5
71.05013	1.4
71.15821	1.4
73.02912	1.8
79.05475	2.8
81.03426	5.0
81.07046	1.5
83.04978	3.0
84.08144	3.6
85.02898	16.6
86.09700	4.0
91.05473	17.8
93.07029	7.7
97.02895	7.2
98.20795	2.2
98.97623	3.6
99.04460	3.1
103.05516	1.9
105.07027	12.3
107.04968	2.0
107.08599	17.1
109.02858	2.6
116.98634	1.9
119.04939	3.5
119.08597	27.7
120.08059	2.2
121.10152	8.4
121.10913	1.4
123.08083	3.1
127.03922	29.1
131.08607	10.7
133.10045	3.0
135.08049	4.1
137.05963	5.9
145.04991	1.9
147.04373	3.6
147.08023	9.5
147.29935	1.8
149.05956	2.3
149.09645	9.1
153.01854	5.1
159.08087	3.7
161.06035	2.3
165.09093	10.9
167.07042	8.9
167.10677	4.7
175.07655	1.6
177.05492	1.9
177.09093	9.1
191.06978	2.4
193.04924	10.6
195.04591	1.9
195.10156	17.4
213.11218	100.0
231.05139	1.8
294.06631	2.1
294.10269	2.2
334.07556	1.6
375.12314	3.9
375.16312	28.9
376.13345	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1989
Annotation	Ala Glu Arg
Peak:m/z	Relative Intensity
52.73931	0.4
53.49881	0.4
54.74590	0.5
69.50021	3.0
71.01056	0.5
75.47109	0.4
81.07028	0.5
87.62163	0.5
109.10157	0.5
114.69765	0.4
137.05983	0.6
213.14603	3.1
234.97537	0.5
252.39581	0.5
375.19907	100.0
376.20285	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2015
Annotation	Dictamnoside N
Peak:m/z	Relative Intensity
52.14274	2.4
53.03952	1.9
53.52491	1.8
54.52246	1.9
55.01870	6.3
55.05511	16.0
57.03436	3.3
61.02924	3.8
67.05499	10.8
69.03426	17.3
69.07063	3.0
69.77013	11.1
70.06556	1.8
71.05000	17.2
73.02930	3.4
76.52488	2.2
79.05489	6.7
81.03426	5.7
81.07064	11.9
82.02377	1.9
83.04984	2.6
83.08623	8.0
85.02908	30.3
85.06547	3.9
87.04483	5.1
91.05482	5.5
93.07039	8.3
95.04959	4.5
95.08596	5.7
97.02891	11.7
97.06533	26.4
97.10172	12.2
98.21435	3.7
99.04465	4.6
103.05446	4.4
105.07024	4.7
107.04967	3.9
107.08585	7.7
109.02892	4.2
109.06536	5.1
109.10155	4.6
111.08043	3.6
117.07053	3.6
118.94909	2.0
119.08578	2.0
121.02879	2.1
121.06498	3.2
121.10141	3.4
123.04432	3.5
123.08095	2.0
124.07594	2.1
125.09641	12.3
127.03888	7.4
129.07018	2.4
131.04944	3.8
131.08554	2.2
133.06476	3.4
133.10078	3.5
135.08028	4.1
135.11702	2.8
137.05978	25.2
143.08559	2.1
145.04922	4.5
147.04393	3.0
151.03902	5.5
151.07536	3.2
153.01836	2.4
159.11609	3.0
161.05948	2.2
163.07545	8.4
167.07069	17.4
175.07619	2.9
177.09082	12.6
177.12825	2.2
180.49152	1.8
185.07094	40.9
189.11276	2.1
193.08592	6.1
195.13773	15.6
204.06567	3.1
213.06609	25.3
213.14857	100.0
237.14844	4.3
279.16245	2.3
375.15939	4.2
388.97308	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	375.2376
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
51.02375	1.9
53.03940	3.3
55.01862	5.6
55.05514	23.3
55.61773	2.1
57.03424	8.6
57.07073	2.7
59.04991	4.5
61.02930	11.7
67.05507	12.4
68.63448	2.1
69.03066	2.5
69.03431	33.7
69.07070	38.4
71.05001	11.8
71.61578	3.6
73.02928	4.6
79.05508	5.6
81.03430	14.7
81.07054	28.9
83.04986	12.2
83.08607	10.6
85.02911	79.1
85.06544	22.4
86.09691	3.1
87.04470	6.4
88.77922	2.1
91.03967	5.3
91.05476	3.3
93.07063	16.1
95.08611	41.4
97.02895	29.0
97.06516	9.5
97.10179	10.9
99.04434	6.8
99.08093	23.2
105.07028	3.9
107.08596	28.5
109.02865	11.5
109.10175	15.7
111.08067	6.0
111.11719	6.8
113.09646	6.8
119.08543	3.6
121.09293	3.4
121.10155	42.5
123.08025	2.7
123.11678	8.6
125.09649	13.4
127.03930	17.9
127.11214	3.5
135.11702	19.5
136.07544	2.9
137.05969	6.8
137.13268	20.9
139.11220	9.9
143.08568	2.2
145.04984	18.7
149.09550	2.0
149.13290	6.2
151.14812	4.3
153.12770	13.5
157.10097	2.7
163.07550	3.2
167.07013	4.5
177.09200	2.2
177.16397	100.0
185.07059	6.4
190.05136	2.4
195.17447	36.9
213.18497	49.0
259.01254	2.3
357.13055	3.0
375.14505	3.1
375.19489	2.7
375.23584	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57084	0.6
55.05506	1.0
57.03450	0.7
65.03938	5.4
67.05486	0.9
69.07053	1.2
70.99059	1.7
75.88419	0.7
79.05489	0.8
81.07042	1.7
85.02888	1.3
90.46301	0.8
91.05482	1.2
92.04996	3.0
93.07056	1.5
94.06580	2.0
95.07362	1.2
95.08579	0.7
96.08116	2.8
97.06541	0.8
108.08138	6.7
110.09680	6.3
116.04967	2.0
120.04468	7.1
120.08116	3.6
121.06483	0.8
122.06017	3.8
124.07584	1.6
133.06485	0.9
136.07564	3.1
137.05980	2.2
138.09140	6.0
139.11113	1.0
144.04453	4.7
148.03937	100.0
149.04254	0.9
149.08067	0.8
154.08678	1.0
162.05507	3.6
166.05013	15.7
166.08647	12.5
167.07149	1.2
172.03946	16.1
174.05420	0.8
177.16399	1.7
185.07155	1.5
190.05009	8.0
195.17395	1.1
204.06558	27.2
212.09492	1.0
213.18504	1.3
226.22444	0.8
227.11745	1.1
230.32478	0.7
234.07527	1.5
243.11418	1.1
255.11311	14.6
273.12357	10.7
283.10815	11.9
301.11847	74.6
306.32047	0.8
319.12885	2.9
325.11728	2.5
343.12872	12.7
354.51474	0.7
375.19705	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	375.1652
Annotation	Dihydrosyringin
Peak:m/z	Relative Intensity
54.47905	0.9
54.52675	0.9
57.14742	0.9
57.29718	0.9
61.02922	1.6
64.73796	0.9
69.03421	3.5
69.36737	0.9
70.97880	1.1
70.98191	1.5
71.10129	0.9
79.05486	2.0
81.03447	1.4
85.02907	12.2
86.09708	1.6
91.05492	10.0
93.07033	7.1
97.02890	3.1
105.06448	1.2
105.07048	11.0
107.08597	18.5
117.07043	1.1
119.07770	1.8
119.08588	27.7
120.98056	1.1
121.10172	6.6
123.08035	2.0
123.47223	0.9
127.03912	2.4
131.08580	10.7
133.10132	2.3
135.08032	2.2
137.09607	1.9
145.04958	1.1
147.08087	10.1
149.09618	9.5
159.08067	2.2
165.09128	12.7
167.10663	4.2
177.09137	11.5
187.86107	0.9
195.10181	12.4
204.20114	0.9
213.11230	100.0
214.11601	1.5
268.83807	1.0
285.99863	1.0
375.11914	1.3
375.16080	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	375.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80327	1.7
55.01862	2.4
56.96544	2.5
57.03411	2.3
61.02923	1.8
67.05480	2.0
69.03413	7.5
70.06587	3.4
71.60152	1.7
71.60535	3.5
72.04525	1.9
72.08190	1.8
72.27275	1.9
75.60357	1.5
79.05476	3.8
81.03404	3.0
81.07036	2.7
83.04970	3.2
84.08150	2.3
85.02920	20.7
86.09703	10.9
87.04478	2.0
91.05479	7.5
93.07043	7.8
97.02876	5.0
105.07006	9.4
105.39901	2.0
107.08593	16.1
107.78551	1.9
109.02905	3.6
109.06525	2.5
119.08591	20.2
121.10162	10.6
125.06015	2.1
127.03926	7.0
131.08562	9.5
135.08032	5.0
147.08037	7.8
149.09583	9.6
153.09135	2.4
156.08069	6.3
159.08105	1.8
159.92732	1.8
165.09152	8.8
167.10735	2.8
177.09093	10.5
195.04755	2.2
195.10112	11.8
196.08183	2.1
213.11217	100.0
213.22568	1.8
220.52892	1.8
238.44583	1.8
375.12259	3.5
375.16290	27.7
381.36462	2.0
383.50943	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	375.1286
Annotation	Dercitamide
Peak:m/z	Relative Intensity
50.13315	0.3
53.03931	0.5
55.01857	0.3
57.03443	0.3
59.05006	2.8
64.35936	0.3
69.03439	3.0
69.83076	1.6
76.01535	0.3
81.03428	2.3
85.02910	4.1
87.04473	1.7
97.02892	5.1
99.04466	0.7
105.05499	0.3
109.02891	1.9
127.03918	100.0
128.04274	0.7
145.04959	2.9
150.86134	0.3
180.69125	0.3
181.76050	0.3
231.08670	1.3
375.19705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1438
Annotation	2'-Hydroxy-3,4,4',5,6'-pentamethoxychalcone
Peak:m/z	Relative Intensity
51.30170	1.5
53.03941	2.7
57.12456	1.6
67.05486	3.1
70.66032	4.6
79.05504	9.7
81.03395	3.3
81.07060	4.7
82.40752	1.8
91.05479	13.5
95.04973	6.6
97.02894	2.1
102.58681	1.7
105.07018	4.1
107.04948	5.6
107.08622	2.4
108.05760	6.0
109.06519	11.8
111.04428	4.0
111.08060	2.6
112.54217	1.8
115.58278	2.0
119.05016	2.4
121.06519	16.7
122.03691	2.0
123.04447	5.4
124.05227	2.5
125.06050	1.8
127.03933	2.2
131.04953	2.6
135.04422	8.0
135.11641	2.1
136.05153	3.0
137.05995	18.6
138.06766	18.6
138.13483	1.8
139.07516	10.2
141.26125	1.8
147.04385	3.9
148.05243	12.0
149.05943	3.9
151.03969	2.1
151.07545	37.2
153.05513	4.0
154.06261	17.7
155.07042	3.0
161.06038	2.9
162.06789	3.1
163.03931	13.2
165.02335	1.9
165.05551	3.7
166.06267	3.3
167.07043	100.0
169.08630	24.7
176.08295	2.2
177.05551	2.3
178.06223	11.8
179.07045	40.0
181.08612	44.4
191.03479	5.4
191.06924	2.1
193.08614	63.3
197.06317	3.2
197.08055	17.3
206.05701	10.4
207.06514	3.5
207.10107	2.8
213.05498	2.6
221.05898	2.4
221.08107	49.8
222.93532	1.8
240.07867	3.4
243.10297	2.4
251.02870	1.8
253.60872	1.8
255.06686	2.2
255.10048	3.7
256.07291	2.4
257.07956	2.9
271.09534	3.3
281.08112	3.0
283.09631	5.5
284.10483	2.8
287.12848	4.4
293.06873	1.9
298.11948	6.9
299.09177	15.5
301.10760	2.7
311.09195	4.1
314.11526	17.3
315.08569	11.9
315.12003	3.6
316.12946	5.5
317.13882	4.8
318.56238	1.9
326.11429	2.9
329.10187	2.5
329.13852	7.2
330.11032	19.2
345.13309	14.4
347.14853	18.0
357.13321	24.3
374.28806	2.0
375.14304	7.6
375.22318	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	375.0714
Annotation	Melinervin
Peak:m/z	Relative Intensity
55.01870	0.5
64.36968	0.4
67.05489	0.8
69.03427	0.9
69.70377	0.9
69.70784	1.6
71.04983	0.5
74.11440	0.4
79.05472	1.0
80.95594	0.4
81.03388	0.8
81.07053	1.0
83.04958	0.6
85.02906	0.6
85.86581	0.4
89.03902	0.4
91.05468	1.2
92.71806	0.3
93.07033	1.0
95.04990	0.5
95.08597	1.3
97.02885	0.6
98.97575	1.2
103.05472	1.2
105.07025	1.3
107.08609	0.6
109.02859	0.9
109.06506	0.5
112.70063	0.4
115.05488	0.4
117.07022	0.5
119.04938	0.8
119.08596	0.7
121.10157	0.6
122.03671	0.5
123.08026	0.6
123.11658	0.4
125.05949	0.4
127.03922	1.0
128.06215	0.7
129.07057	0.7
131.04939	0.9
131.08582	0.5
133.06480	0.4
133.10118	0.6
135.11736	0.5
137.05968	3.8
137.09546	0.5
144.05780	0.5
145.02864	0.5
145.06421	0.6
147.04448	0.7
149.05997	0.6
151.03864	0.6
151.07515	0.5
157.06540	0.5
159.04427	0.7
161.05988	0.6
163.07541	1.0
167.07054	2.5
170.03693	0.4
171.04401	1.1
172.05183	0.6
172.08882	0.4
173.02122	0.4
173.06015	0.7
175.03926	0.6
175.07620	0.7
177.09125	0.5
183.04471	0.6
184.05153	0.7
185.06041	0.5
187.03944	1.2
189.01953	0.5
189.05444	1.0
193.08595	0.7
199.03917	1.7
201.02008	0.5
201.05458	0.8
203.03363	0.4
203.07103	0.4
205.04942	0.9
212.04854	0.9
213.05481	1.7
213.18527	0.5
214.02740	0.5
215.03423	3.4
217.01236	0.4
217.05020	0.6
218.02168	0.6
225.01849	0.7
226.02721	0.4
227.03404	1.5
229.04996	1.0
230.05803	1.1
231.02959	0.5
233.04414	0.8
241.01422	0.5
243.02863	5.0
244.03621	0.7
245.04512	2.5
246.01585	1.3
255.02928	1.3
256.00214	0.5
257.00818	1.6
257.04462	1.1
258.05289	1.8
261.04034	2.4
268.03653	0.9
269.00858	0.6
270.05243	0.6
271.02423	6.8
272.03107	0.5
273.03839	2.0
274.01019	1.0
282.01526	0.6
283.02499	2.2
283.99533	0.7
284.03210	0.6
285.00555	0.7
285.03900	1.3
286.01514	0.6
286.04736	1.9
287.01810	0.7
287.05426	0.4
288.06363	0.8
289.03473	1.6
296.02994	0.5
297.00485	0.5
299.01913	5.9
300.02582	1.4
301.03439	2.8
302.00592	5.5
303.01425	0.6
304.05774	0.4
312.02676	0.6
312.99829	0.9
313.03323	1.1
314.04218	1.6
315.01459	0.9
315.05023	2.5
316.02393	0.5
316.05807	0.8
317.02905	6.1
326.04276	1.2
327.01453	1.0
328.02209	0.8
329.02924	4.4
330.00293	2.5
330.03693	0.7
331.00995	0.5
331.04492	1.6
342.03732	12.5
343.00742	0.8
343.04556	2.3
343.11783	0.8
344.05249	3.1
345.02417	15.0
346.02853	0.5
347.07669	0.4
359.03885	2.2
360.04770	19.6
361.05130	0.5
375.07117	100.0
376.07507	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0775
Annotation	Chlorophacinone
Peak:m/z	Relative Intensity
55.01864	0.5
56.96570	3.4
57.03426	0.6
58.76292	0.5
58.99850	0.7
61.02916	0.9
66.61735	0.4
69.03428	2.6
70.06584	1.0
70.77031	1.4
70.99862	0.8
72.64683	0.4
73.02913	0.9
75.54423	0.4
77.00895	0.5
77.94883	0.5
81.03423	1.1
82.06584	0.8
82.99854	1.1
84.04509	0.5
84.08129	1.8
84.96046	0.7
85.02906	4.3
86.09698	0.7
87.04455	0.8
88.67293	0.5
89.00889	1.1
89.71581	0.4
94.67077	0.5
95.01936	0.6
97.02910	2.3
98.97597	3.9
99.04452	0.7
101.00883	20.0
102.96853	0.7
103.02425	0.5
109.02875	0.5
110.97577	1.3
112.99148	0.5
115.02441	2.6
116.98627	1.8
119.01924	35.9
120.02029	0.6
124.11236	7.3
125.11576	3.2
127.02411	2.0
127.03936	1.1
128.04572	2.3
128.98582	0.7
131.01909	1.9
133.01711	0.6
133.03450	4.0
134.99664	0.6
136.93091	1.3
137.02966	3.3
139.02386	2.2
143.01910	6.6
145.03453	7.3
145.04984	0.7
147.05029	0.7
149.03008	0.5
150.98970	0.5
152.07034	0.4
153.01840	7.0
154.02167	0.5
154.94183	2.2
155.01869	0.5
157.03476	18.1
158.99701	0.6
161.01364	0.8
161.02957	7.2
162.98994	0.6
163.04581	2.8
167.01862	0.5
168.02783	0.6
169.03482	0.9
172.95284	2.6
175.02866	1.0
175.04523	10.5
177.00676	0.8
181.03436	0.7
181.05586	1.8
183.01443	0.8
185.02972	2.9
185.04497	0.6
187.02827	0.6
187.04495	0.9
189.00821	0.8
190.96346	1.0
191.02039	0.7
192.99905	0.9
193.03490	0.5
195.04967	0.8
195.08510	0.5
199.04630	0.7
205.00317	0.6
205.05569	6.3
209.02943	0.9
210.03728	0.5
211.00883	9.7
211.02728	0.9
211.04448	1.0
213.00670	1.5
213.06046	0.9
214.96600	0.5
219.01782	0.9
223.01273	1.1
223.04553	1.0
223.06616	8.7
227.04024	2.4
229.01994	4.2
235.00891	1.9
237.02753	1.4
241.05576	0.9
241.07726	2.3
243.07338	0.8
244.97398	0.9
244.99742	1.2
245.04951	0.5
247.00737	0.9
247.03011	6.9
248.99147	0.6
249.02513	1.7
253.01913	3.9
255.01851	1.2
261.02606	0.7
263.00879	1.3
263.04126	0.5
267.03528	1.7
271.02988	4.6
273.02927	3.6
283.03033	0.6
285.04654	1.3
296.81985	0.5
300.96381	1.4
303.09134	0.8
315.04050	0.5
331.08731	7.7
333.04788	0.8
357.06747	3.7
357.14386	0.6
375.07751	100.0
375.12067	4.0
376.08002	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	373.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56650	4.0
55.05510	7.5
64.03506	3.9
67.05499	15.3
69.03427	12.4
71.05006	5.6
71.60895	4.0
71.61291	4.2
81.03408	10.3
81.07041	10.3
83.04978	11.9
85.02909	16.2
85.06534	6.6
86.09702	10.0
91.05480	10.2
93.07041	15.0
95.04980	39.8
95.08617	13.2
97.02892	9.8
99.08103	8.2
105.07022	14.5
107.04956	9.6
107.08572	12.2
109.06530	11.5
109.10149	37.8
109.90594	3.7
115.05485	4.1
117.06978	7.1
119.08602	9.5
121.06479	4.1
121.10131	9.2
123.08089	5.7
124.07603	44.7
124.11230	6.1
127.03950	11.9
128.93208	3.8
133.06474	7.1
133.10115	14.1
135.08047	18.1
135.11687	4.8
137.05991	25.9
137.09608	33.3
138.09155	14.4
145.04915	4.9
147.11650	4.3
149.05917	4.6
149.09654	14.8
151.03926	4.2
153.05530	4.4
154.05051	4.9
159.08289	3.8
164.43106	3.8
167.07159	4.5
175.07761	4.1
175.14862	5.8
177.09047	8.7
186.43327	4.4
189.12692	4.4
191.06998	5.9
193.15878	36.0
201.05478	16.5
203.10605	6.0
211.16946	12.7
212.12857	55.1
215.03795	4.0
217.15932	4.8
263.12769	4.6
299.15067	20.8
317.15948	10.2
337.20120	4.7
341.10251	5.3
341.14044	7.4
373.14206	17.7
373.18427	100.0
373.21997	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	374.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.1
61.02917	1.1
69.03419	2.5
75.30822	1.0
85.02908	6.4
89.06035	49.4
97.02886	1.4
107.07072	4.4
127.03870	0.9
133.08607	17.5
151.09595	2.8
177.11230	3.5
195.12291	100.0
200.59451	1.0
217.50198	1.0
358.56845	1.0
374.18024	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0712
Annotation	Melinervin
Peak:m/z	Relative Intensity
53.22966	0.4
56.96559	0.9
69.40834	1.2
69.41265	1.7
81.07041	0.6
91.05470	0.5
92.19355	0.3
95.08612	0.4
119.08589	0.4
131.04919	0.6
145.06544	0.5
171.04478	1.1
173.06018	0.9
175.03902	0.8
177.05339	0.5
183.04495	0.5
184.05254	1.0
187.03871	1.1
189.05493	0.5
199.03949	2.1
201.05527	0.8
202.02583	0.6
203.03444	0.6
205.05023	0.5
212.04733	0.9
215.03387	3.2
217.04857	0.5
218.02158	0.8
219.33885	0.3
221.01196	0.4
225.01773	0.7
227.03349	2.4
229.04878	0.7
230.02153	0.5
230.05765	2.0
231.03096	0.5
233.04521	0.6
239.02293	0.7
241.01372	0.4
241.05093	0.6
243.02914	5.7
245.04366	2.2
246.01569	0.9
251.05777	0.4
253.01379	0.8
255.02870	1.6
257.00793	1.1
257.04498	0.7
258.01544	0.5
258.05307	2.7
260.06824	0.6
261.03992	2.1
268.09247	0.4
270.01685	0.5
270.05179	0.8
271.02390	6.4
273.03989	2.0
274.01047	1.0
276.09839	0.8
283.02402	1.5
285.00284	0.4
285.03949	1.0
285.07321	0.6
286.01553	0.7
286.04721	2.4
288.06241	0.7
289.03506	2.2
292.13083	1.1
294.10892	0.5
296.03204	0.9
296.08981	0.6
299.01804	3.5
300.02563	0.9
301.03403	3.8
302.00568	5.2
302.03857	0.6
303.01428	1.3
303.04721	0.5
304.05826	0.8
311.01834	0.6
312.99704	0.4
313.03516	0.7
314.00739	0.6
314.04156	2.2
314.09891	0.9
315.04950	1.1
316.02292	0.4
316.05817	0.9
317.02945	5.3
319.04434	0.7
322.14038	0.8
326.00806	0.4
326.04297	1.1
326.17282	0.4
327.01428	1.3
329.02948	6.8
330.00015	1.3
330.03519	0.4
331.00992	0.4
331.04443	1.4
342.03726	17.9
343.04364	1.1
344.01758	0.5
344.05276	3.9
345.02438	10.6
346.03195	0.5
347.07709	0.5
352.14972	1.8
359.04010	3.5
360.04739	20.1
361.04877	0.5
370.16226	2.2
375.07111	100.0
376.07413	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.05500	0.7
59.04340	0.4
65.03948	4.7
67.01859	0.8
67.05494	1.0
68.99784	3.8
69.03420	1.5
69.07058	0.7
69.26919	3.2
69.27322	1.2
73.06576	0.5
73.82967	0.4
77.03941	0.4
79.05485	0.9
80.05019	0.5
81.03413	1.1
81.07019	0.8
83.04951	0.5
85.02898	0.5
91.05466	1.2
92.05003	4.8
93.03381	1.0
93.07043	1.0
94.06556	1.0
95.04954	1.1
95.08591	1.3
96.08133	0.9
97.02863	0.6
97.06509	0.5
97.59431	0.5
98.97575	1.8
99.04475	0.6
103.05442	0.6
104.04991	3.3
105.07014	1.1
107.04926	0.8
107.08582	1.2
108.08115	4.5
109.06485	0.7
109.10137	1.4
110.09668	1.3
119.08571	1.1
120.04474	13.4
120.08133	2.3
121.10114	0.5
122.06033	2.1
124.07565	0.6
127.03902	1.4
132.04445	2.1
133.10059	0.5
135.11688	1.1
136.07578	7.8
137.05972	4.5
137.09584	1.1
138.05486	2.6
138.09119	2.3
147.04457	0.6
148.07591	2.3
151.03883	1.1
151.07477	0.6
153.05473	0.6
154.08611	1.6
160.03969	3.8
162.05521	4.7
165.05536	0.6
166.08641	7.0
167.07071	2.5
169.07658	0.5
175.07530	0.4
175.11234	0.7
175.14761	0.6
176.95030	0.4
178.05014	1.9
179.07021	0.5
181.04971	0.5
183.08044	1.5
188.03433	100.0
189.03740	1.1
189.09091	0.6
193.15907	0.7
196.10019	0.6
202.05089	0.8
206.04498	7.2
211.16978	0.5
220.06038	7.4
225.10335	0.9
226.10995	0.5
227.11807	1.4
239.11809	0.7
243.11295	0.6
252.08911	1.8
253.09663	0.5
255.11166	0.6
267.11282	2.8
269.12766	2.3
271.10666	0.5
273.12222	0.5
280.08316	0.7
285.12231	1.0
295.10712	3.2
297.12375	2.3
299.10043	1.7
307.77725	0.5
313.11774	3.2
323.10269	10.5
337.10522	0.5
341.11313	38.1
342.11453	0.7
355.12683	1.4
373.13321	1.7
373.21985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.222
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
55.05507	6.8
62.62884	4.8
64.26788	4.8
64.78548	5.2
67.05495	17.1
69.03411	6.1
69.07066	11.4
70.71593	15.6
79.31509	5.2
81.07069	24.9
81.75533	4.8
83.04944	8.0
83.08635	5.5
85.02882	8.1
92.71378	4.9
93.06980	6.2
95.08612	35.1
103.18374	5.0
107.08613	25.6
109.06467	6.7
109.10158	100.0
110.38493	4.7
119.08591	46.1
121.10108	9.5
123.08052	4.9
123.11721	9.5
133.10130	18.2
135.11693	99.5
137.09604	11.7
149.13234	6.7
151.11110	9.6
151.14853	10.2
153.16150	5.1
175.14816	43.9
193.15898	59.3
211.16943	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	373.2219
Annotation	Blumenol C glucoside
Peak:m/z	Relative Intensity
51.54155	9.7
56.98883	10.0
60.03749	9.6
67.05524	22.4
69.03436	9.0
69.07074	15.8
70.91476	22.9
81.07056	21.1
95.08595	23.4
105.07024	12.5
109.10156	93.0
117.53630	10.2
119.08607	24.4
124.34666	13.9
126.19144	11.1
133.10144	19.8
135.11710	100.0
175.14874	36.6
184.19437	12.1
193.15877	40.9
202.64590	11.9
206.64668	9.0
211.16953	33.6
223.98297	11.4
356.64474	10.8
399.68503	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	371.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
64.08621	0.8
69.03429	1.6
70.85061	1.7
71.04997	0.9
73.06570	1.1
81.03418	1.5
83.70505	0.6
85.02900	1.7
87.04485	4.2
87.60222	0.6
89.06035	100.0
95.04971	7.2
97.02866	1.0
99.04469	2.1
105.07046	1.6
107.04977	1.2
107.07046	1.2
115.05447	0.7
122.03573	0.8
122.09741	0.7
131.08592	0.9
133.08609	44.1
137.05997	4.5
145.10181	0.8
149.09610	6.8
153.09142	2.5
154.04886	0.6
156.05682	1.0
157.06474	0.7
167.07077	2.5
173.13330	0.7
175.07576	1.1
177.11229	9.7
184.96265	0.7
187.07547	1.8
191.14291	1.4
193.10242	0.6
204.10277	1.7
209.07898	4.4
209.11742	0.8
209.15369	5.3
217.08638	4.5
221.09587	0.7
233.09645	0.8
235.07655	0.7
239.06856	0.6
247.09804	1.1
251.07065	1.1
261.09180	0.8
265.08505	0.7
269.08051	0.6
277.08719	1.8
278.09470	0.9
283.17740	0.8
285.07593	0.8
289.88220	0.6
290.36639	0.8
293.11807	0.8
300.09955	1.5
309.11230	0.8
321.11285	1.5
326.11261	0.9
339.12338	0.9
353.13821	3.8
371.13199	1.3
371.16864	13.1
371.22113	1.1
371.22928	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.0552
Annotation	Eckol
Peak:m/z	Relative Intensity
56.96553	2.2
57.87426	0.6
61.02923	0.6
61.24398	0.6
67.05499	1.7
69.03422	1.1
69.07064	0.6
69.44518	4.4
71.04983	0.6
71.89544	0.5
77.00943	0.5
79.05512	0.8
79.21795	0.4
81.03407	1.1
81.07064	2.0
85.02900	0.8
91.05446	0.8
93.07058	1.0
97.02873	1.0
98.97570	0.7
105.07024	0.9
107.08632	0.8
107.18875	0.5
109.10169	0.5
121.10193	0.6
133.10110	0.8
137.05998	3.6
163.11232	0.6
170.03632	0.9
188.84631	0.5
198.03102	1.3
201.01868	1.0
214.02652	0.9
215.03397	0.6
215.11232	0.6
226.02647	1.6
228.04179	1.2
229.01329	1.8
241.01430	1.3
243.02908	1.1
244.03647	0.9
254.02104	2.7
255.02948	0.7
256.03644	1.3
257.00806	4.5
259.02338	2.7
269.00827	2.3
270.01547	0.9
271.02390	2.3
271.99588	2.2
272.02911	1.3
282.01605	3.7
283.02448	1.5
284.03165	5.0
285.00317	5.9
285.03781	1.5
287.01929	1.6
287.05249	0.8
292.14474	0.7
297.00323	12.9
298.00879	0.8
299.01956	1.0
299.99005	1.5
300.02435	1.0
310.01123	1.9
311.01929	3.7
312.02631	4.6
312.99866	4.4
314.00586	0.8
314.04068	0.7
315.01364	15.3
315.05035	5.6
324.99838	1.5
327.01395	3.2
328.02158	1.3
329.02945	1.9
339.01202	1.1
340.02133	6.8
340.99295	2.3
343.00879	42.5
343.04541	4.5
344.01157	1.2
357.02356	0.6
358.03214	24.3
359.03839	0.6
373.05569	100.0
374.05991	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
68.88781	8.9
71.15765	14.5
71.16082	12.9
71.71181	8.9
73.02911	10.4
89.06026	49.0
97.08705	8.7
105.07021	16.3
107.08598	20.4
121.10173	13.4
133.08592	28.9
133.10132	100.0
137.09595	54.0
149.13252	13.5
150.29395	9.2
191.14297	26.5
259.07730	9.6
306.13858	10.0
328.64688	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40731	12.4
69.07032	16.4
69.55485	100.0
79.05479	15.0
81.07068	18.0
83.91614	12.9
85.02908	18.9
90.06808	12.9
95.04967	78.2
95.08591	18.7
99.04428	21.7
107.08573	46.6
109.10101	20.6
110.49097	14.4
117.12646	13.6
118.94445	13.1
121.10121	27.0
121.29242	13.3
133.10103	59.2
135.08020	15.8
149.09669	19.4
149.13263	18.8
151.11215	80.1
153.09087	20.3
161.65739	13.9
171.06064	16.7
173.13243	26.3
181.04977	17.9
186.72092	13.6
191.14282	87.3
197.05966	15.6
209.15355	71.1
289.08221	17.4
291.95233	16.0
371.14877	49.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2065
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	4.3
55.01857	5.2
55.05514	3.1
56.96571	1.4
57.03441	6.6
59.05009	1.3
61.02932	11.3
65.03944	1.4
67.05498	3.9
67.38277	1.2
68.59215	1.2
68.98307	1.3
69.03428	34.7
69.07066	12.1
70.85130	2.2
71.01340	1.3
71.04985	4.5
73.02899	6.2
76.67472	1.2
77.20509	1.1
79.05496	7.0
81.03413	14.6
81.07061	6.1
83.01342	1.9
83.04973	1.7
83.08606	2.8
84.68746	1.1
85.02905	100.0
87.04449	6.7
91.03958	5.6
91.05468	5.0
93.07030	5.6
95.04971	19.3
95.08607	4.9
97.02888	31.9
97.06525	3.7
97.86372	1.3
98.97604	1.9
99.04463	7.0
103.05430	2.1
105.04536	1.4
105.07035	8.6
107.04938	7.1
107.08598	12.7
107.77270	1.3
109.02878	12.4
109.06518	7.7
109.10156	3.1
115.03951	1.5
117.06999	1.3
119.08575	5.9
121.06518	6.3
121.10118	4.6
122.03590	1.3
122.07299	5.5
123.04386	2.4
123.08073	20.6
123.11681	1.7
127.03915	26.9
129.06995	3.7
131.04921	1.7
131.08548	3.5
133.06468	1.6
133.10123	8.8
135.04398	1.7
135.08051	37.7
135.11693	3.6
137.05949	10.0
137.09570	1.4
141.30466	1.4
145.04964	41.9
145.10124	1.9
147.08083	1.8
147.11697	5.2
149.09595	3.1
149.13289	1.9
151.07556	1.5
157.06624	1.2
159.08127	1.6
161.06027	2.9
161.09628	2.0
163.03935	1.6
163.06035	4.1
163.11223	3.1
165.12756	63.2
166.13071	1.6
167.07056	14.3
169.25128	1.3
173.13264	2.5
174.06694	2.0
175.07573	3.3
175.14816	3.1
176.11963	3.2
177.12761	1.5
181.04976	3.4
183.06627	1.7
187.07579	5.1
189.07132	1.4
189.09064	4.5
191.10660	3.8
191.14307	98.9
192.14543	1.5
193.15869	8.3
199.07620	1.5
201.09082	2.1
207.13795	4.5
209.15347	15.9
217.08598	4.0
218.07191	2.6
219.08031	3.6
222.06841	1.5
223.07492	1.9
233.09578	3.7
234.06747	2.1
235.07616	2.8
247.07510	3.4
249.09161	5.5
250.09831	1.7
251.06970	1.6
252.07918	3.0
253.08524	2.1
261.09033	4.1
263.78925	1.3
264.07889	3.0
265.08536	4.0
266.09528	1.6
277.08563	4.3
278.09439	1.6
279.10208	3.3
281.11401	1.3
282.08972	1.6
285.11050	2.3
291.10178	2.1
295.09634	3.9
296.10397	3.2
307.09467	2.2
309.11069	3.3
309.17142	2.6
311.12766	2.0
321.11166	3.7
327.12268	3.2
327.17929	2.9
339.12277	15.9
340.12662	1.6
341.13693	3.7
343.15607	2.7
353.13632	3.6
362.36575	1.3
371.07642	1.8
371.14987	24.4
371.20587	56.1
372.20447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62114	1.8
57.03452	1.9
61.02924	3.8
64.02949	2.1
65.03945	3.9
67.05483	3.6
67.29125	1.9
69.03426	10.4
71.31211	4.6
78.04703	2.0
79.05487	3.1
81.03413	5.8
81.07022	4.1
83.04974	2.1
85.02910	26.0
95.04961	6.5
95.08596	2.4
97.02892	7.5
103.05444	3.9
105.07032	6.9
107.04932	4.0
107.08602	4.2
109.02866	3.1
109.06509	5.7
115.05408	2.4
119.08613	2.7
121.06521	2.3
121.10161	10.1
123.04407	3.8
123.08059	2.5
123.11694	2.6
125.02217	1.9
127.03918	3.7
128.06226	7.6
129.07025	35.6
131.04895	3.9
133.06482	2.4
133.10118	6.8
137.05998	6.1
137.09631	14.8
145.05139	2.0
145.06499	2.7
146.07199	2.4
147.04494	2.0
147.23964	2.1
149.05952	2.8
149.09622	9.4
149.13245	5.7
151.07553	13.1
151.11169	11.2
157.06487	29.1
161.05975	5.7
165.12766	36.5
167.07057	41.7
174.06790	16.8
175.07448	2.7
177.05333	2.5
181.04970	34.7
187.07507	3.0
189.09099	37.3
189.31201	1.9
191.14320	11.6
193.08597	3.2
208.88536	2.0
209.11720	3.1
209.15367	80.6
210.15750	2.5
221.08131	4.7
282.88950	2.7
371.14886	100.0
372.15207	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	371.2066
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03938	2.0
57.03429	2.6
58.83574	1.5
61.02922	3.1
67.90883	1.4
69.03438	13.9
69.07086	1.4
69.52339	9.4
70.91982	1.4
71.05001	1.5
73.02910	1.9
77.75368	1.4
79.05515	2.5
81.03403	6.0
81.07048	3.7
83.04977	3.4
85.02908	25.1
86.39070	1.4
91.05532	1.8
92.99992	1.3
93.07048	3.3
95.04945	3.5
95.08604	6.7
97.02881	5.3
97.06506	1.8
99.04472	2.2
103.28896	1.4
105.07014	5.1
107.08579	9.1
109.02888	1.8
109.06503	6.6
109.10149	3.8
119.08575	3.2
121.06569	2.3
121.10133	10.9
122.07318	1.6
123.08060	4.7
123.11671	3.2
126.80917	1.4
127.03931	6.3
133.10123	5.2
135.08044	2.7
137.09616	13.6
145.04953	6.5
147.11707	3.0
149.09631	8.9
149.13235	7.2
151.11172	18.6
159.83521	1.5
165.12761	41.7
166.05785	1.7
173.13344	2.1
191.14319	17.6
209.15379	100.0
210.15755	2.3
237.27220	1.9
382.07889	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99857	1.4
53.03947	4.5
53.15052	1.3
55.01867	2.2
55.05536	1.8
56.74916	1.6
56.96560	4.2
57.07082	1.8
57.86317	1.4
61.84902	1.3
67.05497	5.1
69.07057	2.4
71.62041	1.8
71.62473	1.8
78.04775	2.3
79.05505	13.8
81.07061	5.9
91.05468	14.4
93.07031	15.2
95.04980	5.2
95.08605	3.1
98.97603	2.1
103.05471	5.1
105.03357	1.6
105.07038	7.3
107.04952	32.9
107.08593	3.7
108.05752	2.3
109.10172	1.6
111.04471	2.9
119.04929	2.7
120.05769	3.0
121.06510	17.4
123.04435	4.7
124.05231	5.7
124.99956	1.5
125.05997	2.7
129.06989	1.8
133.06511	2.8
133.10133	2.7
134.07277	1.9
135.04413	3.6
135.08032	2.5
136.05223	5.0
137.05969	2.7
138.06752	2.3
142.07861	2.7
143.08553	5.0
145.10178	3.1
147.04459	3.7
147.06482	1.9
147.11722	2.0
148.05161	2.2
149.05956	3.4
149.09531	1.8
150.06769	9.0
151.03975	2.5
151.07550	55.4
152.04723	3.1
155.08519	2.8
157.10107	2.1
158.07329	7.5
159.08069	6.3
165.05479	20.6
165.09126	41.4
166.06284	12.6
167.07051	59.3
171.08038	6.4
173.09612	8.0
179.10674	5.1
181.08601	100.0
186.10381	16.1
187.07553	10.1
195.10182	5.2
201.09097	14.5
202.09894	42.2
217.12257	87.1
233.11682	7.6
315.05066	1.9
371.11298	12.0
371.18546	20.2
371.25888	2.1
394.86887	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.0
55.05496	2.3
58.75504	1.9
60.58019	1.9
60.89433	2.2
64.63587	1.8
65.03922	2.2
67.05524	2.7
69.03414	5.6
69.07072	2.3
71.61294	2.2
79.05472	4.5
79.71641	1.9
81.03410	3.5
81.07055	5.5
82.04195	2.2
85.02902	8.1
88.45111	2.1
91.05476	4.5
93.07030	4.9
95.04962	10.1
97.06521	3.1
98.97586	2.6
99.04434	3.2
100.11252	2.8
105.07037	10.4
107.04956	5.6
107.08591	6.9
109.06529	2.8
111.04421	2.2
119.08558	3.4
121.10137	4.3
123.04394	3.0
123.08085	2.2
128.06238	4.4
129.07013	11.0
131.04929	2.6
131.08563	4.4
133.06487	8.2
133.10118	14.1
135.08084	2.1
137.05980	13.5
137.09647	4.5
139.87256	2.0
143.74030	1.7
147.04387	2.1
147.11659	8.3
149.06079	2.8
149.09663	2.0
149.13283	3.1
151.07518	8.8
153.01822	6.8
153.05423	2.8
153.09145	2.6
156.05669	3.0
157.06482	5.7
158.07159	2.1
159.08081	2.7
161.05945	9.7
161.09619	2.2
161.65997	2.1
163.11066	2.3
167.07051	14.7
173.13223	6.6
174.06799	5.3
175.11485	1.9
177.05426	4.2
181.04968	55.2
187.07533	4.7
189.05463	3.3
189.09145	11.1
191.14314	20.0
203.08540	2.0
206.07205	2.6
209.15309	17.7
210.11276	4.4
217.08588	5.9
218.07344	2.7
219.07993	3.3
221.08041	13.5
231.08127	3.9
233.09619	3.8
234.06705	2.3
235.07486	5.9
248.08076	2.3
249.09134	5.2
251.06833	2.5
261.09119	7.1
263.06964	3.6
277.08585	6.1
278.09311	4.4
279.10281	2.3
285.07559	3.2
290.09244	4.4
291.10181	2.5
292.20306	2.0
293.11749	6.2
309.11227	3.2
321.11172	5.9
326.11575	2.5
339.12216	13.0
341.13892	3.1
353.13861	4.2
371.14877	100.0
372.15344	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	371.1491
Annotation	dihydrocurcumin
Peak:m/z	Relative Intensity
50.01659	0.7
53.03948	1.5
55.01873	1.6
55.05513	0.9
61.02921	1.1
65.03938	4.0
67.05512	3.0
67.14179	0.8
69.03429	3.1
69.07045	1.5
69.78616	1.3
69.79029	3.4
74.63258	0.6
78.04711	1.3
79.05486	3.3
81.03432	1.7
81.07075	1.3
82.04223	1.0
83.05001	1.2
83.08621	0.7
85.02913	4.8
91.05502	2.4
93.03378	1.2
93.07055	1.7
95.04988	2.2
95.08562	0.7
97.02901	1.4
97.06561	1.3
97.10223	0.7
98.97570	1.6
103.05474	3.4
105.07035	5.2
107.04960	4.5
107.08614	1.8
109.02914	1.1
110.03670	1.2
115.05455	2.3
119.04922	0.9
119.08611	0.8
121.06550	1.3
121.10135	1.2
122.03696	0.9
123.04426	4.6
123.07987	1.1
124.05258	1.6
125.06014	0.8
127.03900	1.7
128.06223	8.9
129.07014	34.6
131.04942	4.0
131.08582	3.1
132.05751	1.0
133.06500	3.6
133.10135	0.9
135.04448	1.3
135.08049	2.1
135.11743	1.0
136.05145	1.2
137.05963	5.0
142.02614	1.3
145.04944	1.2
145.06566	1.9
146.07321	1.4
147.04449	1.5
149.02409	1.1
149.05972	1.7
149.09714	0.7
151.03915	1.9
151.07552	15.3
152.04721	1.4
153.05458	1.2
155.06027	1.8
155.07140	1.1
157.06503	27.9
158.07297	2.9
159.04472	1.1
159.08034	0.9
160.05220	0.8
161.05992	4.1
161.09662	1.6
163.07544	1.6
163.11180	0.8
165.12834	2.1
167.07043	42.6
171.06519	1.2
173.06024	1.2
174.06757	15.7
175.07512	3.8
177.05499	5.0
181.04961	35.9
185.05969	1.0
187.07489	4.0
189.05519	1.5
189.09114	42.9
191.07004	1.4
191.14352	2.1
193.08740	1.2
201.09224	1.4
209.15430	1.3
217.08681	3.1
218.07306	1.4
219.08078	1.4
221.08107	2.6
235.07562	1.3
237.10263	1.1
249.09094	1.5
261.09161	1.6
263.07172	1.0
265.09692	2.7
277.08633	2.2
278.09363	0.8
279.11371	1.5
281.08386	1.0
281.11810	0.9
285.07602	0.9
293.08722	0.8
293.11816	2.4
295.09439	0.7
300.09778	1.1
307.09781	1.0
311.10318	2.1
321.11310	2.5
323.09219	0.8
326.11877	0.8
339.12500	2.4
341.13882	1.2
353.13803	2.1
371.14999	100.0
372.15222	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28199	2.7
51.49947	3.2
53.03951	6.8
55.01864	3.5
56.96572	5.6
57.03430	4.5
67.05501	4.4
69.03423	11.7
69.07070	4.2
71.04986	6.2
71.61272	4.7
79.05497	17.5
81.03426	7.6
81.07050	9.5
83.04976	3.7
85.02917	14.2
91.05460	21.5
93.07047	12.6
94.04168	7.6
95.04972	9.3
95.08615	7.4
97.02905	5.4
97.06524	11.0
98.97594	12.2
99.04458	4.3
99.08133	3.5
103.05457	7.0
105.07035	31.6
107.04959	18.6
107.08573	9.1
109.06520	7.3
109.10247	3.4
111.04410	3.8
111.08140	3.6
115.05481	7.6
117.07017	7.0
119.04956	4.1
119.08582	7.7
121.06451	4.8
121.10114	6.5
122.03660	6.4
123.04446	5.5
124.05208	3.8
127.03927	8.6
128.06235	7.2
129.06987	18.7
131.04939	7.2
131.08586	24.9
133.06485	5.9
133.10123	55.1
137.05983	100.0
141.06987	5.4
143.08575	4.4
144.05746	11.6
145.06497	4.3
145.10129	9.1
147.11740	4.7
149.05975	3.8
149.09612	3.8
151.07481	4.5
153.01866	9.6
153.05554	4.4
156.05675	27.0
157.06491	11.2
158.10997	6.3
159.08078	17.3
159.09196	3.6
160.05209	3.2
161.01166	3.6
161.05963	5.2
161.09593	8.0
163.07614	4.9
163.11128	7.0
167.07045	58.2
169.06487	4.2
171.08189	3.5
172.05305	4.5
173.13300	39.6
174.06792	10.6
175.07570	11.5
177.05524	7.7
181.04976	11.0
181.06442	4.7
187.07542	20.8
189.09167	17.7
190.07809	6.1
191.10652	3.5
191.14322	32.6
193.08572	5.7
201.09105	4.5
202.06215	6.6
203.08598	8.6
205.06392	4.2
205.08443	3.6
206.07254	4.6
207.08157	5.3
209.04337	5.9
209.07785	4.1
209.11485	11.8
209.15366	10.7
215.06866	5.1
215.08667	7.7
217.06535	4.8
217.08604	72.9
217.15656	3.8
218.07251	11.1
219.01811	6.7
219.08011	8.7
219.10104	5.4
221.06050	3.7
221.09641	8.6
226.06317	4.3
231.08101	7.0
232.08835	4.3
233.06165	3.9
233.09622	14.8
233.92024	3.5
234.06717	9.8
235.07571	16.2
238.09714	3.9
239.07098	9.0
241.08676	12.4
246.06868	8.0
247.07448	8.1
247.09695	24.4
248.08386	6.9
249.09126	22.2
250.09856	4.9
251.07127	12.8
251.10664	4.1
253.08743	3.5
260.08383	4.1
261.09119	24.9
262.06311	6.2
262.09570	3.9
263.07114	14.5
263.10794	4.2
264.07776	4.1
265.08600	3.1
266.09418	6.0
269.08395	3.7
274.36850	3.0
277.08527	19.6
278.09320	19.3
279.10251	5.0
280.07248	4.3
280.45447	3.5
281.11740	12.9
285.07608	25.6
289.08545	8.2
291.06601	4.5
293.08408	5.8
293.11731	17.8
294.08795	5.4
295.09650	9.8
300.09894	21.4
301.10727	9.0
306.08875	9.0
307.09595	7.8
309.11218	21.4
310.11850	3.9
311.08990	7.2
321.11255	31.5
322.11884	4.4
323.09174	13.5
326.11533	15.9
338.11514	6.0
339.12152	5.6
341.13843	16.5
353.13770	67.1
371.15723	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	371.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25717	2.6
53.03933	3.3
55.01868	3.1
55.05518	3.9
56.96560	6.7
59.28945	3.4
62.82359	2.6
65.03944	4.2
65.53243	2.8
67.05514	4.6
69.03424	10.1
69.74529	6.0
69.74940	13.2
71.04993	4.3
79.05481	12.7
80.94456	2.7
81.03395	7.8
81.07058	10.7
83.04998	3.8
85.02917	14.0
85.06550	3.5
91.05471	23.3
93.07039	12.8
94.04198	4.5
95.04966	8.5
95.08603	5.7
97.02882	5.0
97.06520	8.2
98.21445	3.7
98.97576	10.2
99.04486	4.5
99.08118	3.3
103.05460	5.2
105.07040	33.1
107.04963	23.7
107.08595	4.4
109.02890	5.8
109.06521	9.5
109.10149	6.2
111.04426	4.0
111.08098	4.3
115.05458	6.3
116.06198	4.3
117.07039	3.7
119.08582	9.5
120.78346	3.0
121.10170	4.8
122.03645	7.7
122.09879	3.6
123.04417	3.5
123.08102	4.4
124.05191	4.6
125.05981	3.5
128.06235	8.0
129.05487	3.9
129.06975	17.1
131.04895	4.9
131.08594	29.3
133.06543	5.0
133.10155	64.2
135.04466	3.6
137.05995	100.0
141.06967	5.0
142.07707	3.0
143.08548	4.9
144.05708	12.4
145.06381	4.7
145.10103	8.3
147.04323	3.6
147.11620	4.9
149.09636	8.6
149.13213	3.9
151.07538	9.2
151.11264	4.0
153.01834	8.4
156.05728	23.3
157.06497	10.9
158.10941	4.4
159.08034	14.0
161.01257	3.9
161.05910	3.5
161.09686	5.8
163.07529	3.9
163.11133	6.8
167.07060	52.2
167.34669	2.9
173.05994	3.4
173.13263	35.9
174.06776	6.5
175.07495	7.5
177.05475	7.1
178.07863	3.9
181.04979	15.6
181.06468	3.6
185.06078	3.5
186.06775	4.8
187.07582	19.5
189.07112	4.4
189.09131	14.2
190.07739	5.4
191.14363	28.2
201.09125	3.2
202.06288	8.3
203.08606	11.7
205.06525	3.9
205.08452	3.9
206.07262	6.6
207.08058	6.4
209.04419	3.8
209.07996	3.6
209.11533	11.0
209.15364	9.5
215.08662	5.7
217.06506	5.1
217.08614	71.0
218.07297	12.4
219.01848	3.8
219.07994	9.6
219.10069	7.1
221.09631	8.5
223.07445	5.4
231.08141	8.3
232.08795	5.9
233.05954	4.9
233.09608	12.0
234.06729	11.5
235.07571	16.0
236.08182	4.2
237.09135	4.6
238.09868	5.2
239.07025	7.2
241.08585	11.8
246.06799	4.2
247.07436	8.3
247.09673	21.0
248.08282	4.5
249.09160	23.4
250.09871	7.7
251.07091	8.5
252.07843	4.1
259.07657	3.8
260.08295	8.8
261.09137	29.4
262.06216	4.8
262.09579	5.1
263.07019	11.1
263.10431	3.1
264.07581	4.5
266.09314	4.5
269.08255	4.8
275.07034	4.1
275.10715	3.2
277.08670	28.2
278.09351	15.3
279.06705	5.6
279.10004	5.5
281.11688	11.1
285.07562	21.5
286.08594	3.4
288.07449	3.4
289.08527	5.4
291.10074	7.0
292.06958	3.5
293.08472	4.8
293.11734	20.8
295.09772	5.6
300.09964	25.9
301.10739	7.5
306.08777	8.3
307.09641	9.8
309.11203	21.6
310.72986	3.4
321.11310	30.4
322.11691	3.7
323.09039	6.3
326.11475	17.1
338.11411	8.4
339.12332	6.8
341.13760	13.5
341.92468	3.7
353.13831	60.3
371.15067	50.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Gliocladinin A
Peak:m/z	Relative Intensity
50.00689	2.1
53.03926	6.2
55.01864	4.8
55.05505	2.9
56.21864	2.3
56.96558	3.0
57.03430	3.2
57.07056	2.7
59.79570	2.1
61.02923	5.8
65.03928	4.8
67.05505	2.5
69.03424	14.3
69.07059	3.5
69.37586	21.5
78.04700	4.1
79.05488	20.1
81.03416	9.6
81.07037	9.2
81.58701	2.3
85.02904	27.3
91.05467	15.3
91.20512	2.2
93.07037	12.1
94.04194	6.0
95.04986	10.9
95.08597	6.4
97.02891	9.5
97.06518	3.2
98.20789	5.9
99.04434	5.2
103.05463	4.4
104.91676	2.2
105.07040	16.0
107.04959	25.4
107.08586	10.1
109.02871	7.9
109.06495	9.7
111.04433	4.0
115.05456	5.6
117.06993	4.9
119.04889	3.5
119.08577	7.2
121.06509	7.7
121.10156	4.9
122.03671	9.7
123.04430	6.5
123.08071	5.4
124.05192	2.9
125.05980	5.1
127.03910	11.8
127.05470	2.6
128.06221	13.9
129.05627	2.5
129.07014	32.5
131.04926	9.2
131.08614	13.9
133.06438	4.4
133.10118	3.8
135.04433	4.7
135.08035	9.2
137.05983	98.2
137.07036	4.9
137.09615	5.1
138.06361	2.8
141.06973	8.0
143.08636	3.0
144.05708	10.9
145.04962	6.9
145.06479	7.3
145.10147	6.1
146.03600	3.3
147.04384	6.1
147.07997	3.2
149.05977	4.4
149.09612	2.7
151.03914	5.8
151.07584	12.8
153.05537	3.1
156.05701	25.2
157.06534	26.3
158.07253	7.8
159.04439	3.8
159.08044	14.5
161.05984	12.1
163.03928	4.9
163.07562	2.7
163.11232	2.9
165.05563	3.0
165.12775	12.3
167.07051	74.3
169.06488	5.8
172.05159	3.5
174.06775	21.0
175.07571	17.1
175.14761	2.3
177.05458	9.4
177.09164	2.5
178.07799	3.5
179.07036	4.7
181.04973	31.5
181.06447	5.0
184.05080	2.6
184.52876	2.4
185.06004	2.3
186.06761	3.9
187.07547	24.2
189.05464	3.7
189.07224	4.8
189.09122	36.5
190.07806	5.4
191.06966	4.7
191.08566	3.2
191.10678	5.1
191.14366	30.7
191.16162	3.2
192.16812	4.5
198.06927	2.6
199.07484	2.7
201.09116	9.1
202.06157	5.5
202.07878	5.5
203.08597	8.1
205.06621	4.4
205.08569	5.9
205.10301	3.0
206.07275	7.2
207.06396	3.5
207.08163	5.6
209.15359	4.9
211.07564	4.3
212.08315	2.8
215.06866	3.2
215.08664	5.7
217.06534	3.5
217.08601	65.3
218.07266	12.1
219.08136	12.0
219.10059	3.5
220.08842	2.8
221.09584	9.5
224.04761	4.5
226.06219	4.2
229.08775	2.9
231.08136	11.9
232.08861	7.2
233.09631	15.1
234.06749	12.0
235.07497	12.3
236.08142	3.6
237.09093	4.7
238.09840	2.9
239.06981	14.6
241.08522	12.5
242.05719	3.6
243.08124	2.7
246.06766	5.7
247.07472	9.2
247.09692	20.1
248.08337	6.5
249.09102	23.7
250.09854	4.6
251.06993	9.1
251.10669	2.9
252.07860	8.7
255.06647	2.6
257.08060	7.0
260.08313	6.8
261.09146	25.0
262.06317	6.4
262.09793	5.8
263.06982	14.9
263.10693	4.0
264.07727	3.9
265.08676	9.4
266.09412	6.5
269.08176	7.1
271.05984	6.4
275.07394	2.8
275.10632	4.8
276.07947	3.4
277.08630	22.3
278.06625	3.5
278.09229	16.0
279.06760	4.0
279.10117	8.7
280.07315	5.2
281.11646	8.1
283.09604	3.6
285.07578	43.4
286.08136	3.4
289.08575	8.7
290.09192	2.8
291.06668	4.3
291.10150	8.0
293.08054	8.9
293.11713	22.6
293.61044	2.7
295.09540	6.4
296.10553	4.0
298.08237	4.1
300.09964	49.7
301.10648	10.9
306.08743	10.4
307.09543	6.4
309.11172	21.1
311.09372	4.7
311.12695	6.5
313.10605	11.4
321.11249	30.1
322.12054	4.2
323.09100	7.4
326.11414	19.1
327.12280	3.6
338.11371	4.7
339.12271	20.3
341.13849	17.4
343.54843	2.4
353.13837	51.4
371.14856	100.0
371.20334	24.7
372.15070	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	370.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07067	15.4
59.05003	100.0
66.14307	2.1
67.66651	1.8
69.03423	3.6
69.28568	19.2
81.03426	2.4
85.02918	14.6
91.05473	4.6
97.02888	4.1
97.10140	1.9
99.55153	1.8
105.07026	5.2
113.27201	2.2
115.11215	29.3
147.04474	2.1
158.60092	1.9
167.07120	2.8
173.15392	3.9
191.16417	32.8
370.13184	5.6
371.14804	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	371.0378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08173	6.7
70.04532	31.1
81.84077	6.8
98.21476	10.7
101.00874	21.4
117.94559	6.8
119.01911	24.8
133.03535	7.0
143.01906	6.7
145.03442	9.5
157.03464	16.9
167.01942	16.2
185.02979	100.0
203.04021	14.6
209.02870	8.8
223.06642	29.7
227.04060	21.3
241.07608	7.6
251.04053	10.0
263.03922	18.7
265.07971	8.4
293.07144	11.1
305.07053	19.6
311.05920	64.7
323.08282	11.7
350.83572	7.0
353.09296	34.5
357.68384	7.3
371.07294	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	371.1127
Annotation	Sesaminone
Peak:m/z	Relative Intensity
51.02366	1.3
52.29054	0.9
53.03930	1.4
53.13521	0.9
55.01857	2.1
55.05511	2.1
56.96562	1.5
65.03943	4.7
67.05488	2.6
68.99802	1.5
69.03420	1.1
69.07046	2.0
71.61227	0.8
74.93484	0.7
79.05488	4.2
81.03416	4.6
81.07053	3.1
83.04967	1.1
86.35561	0.9
91.05466	3.5
93.02335	0.8
93.07038	2.2
95.01305	1.0
95.04952	1.7
95.08607	3.0
97.02904	0.9
98.97577	3.0
101.05969	1.1
103.05434	1.4
105.03408	1.6
105.07030	3.6
107.04967	4.6
107.08601	2.4
109.02886	2.0
109.06498	1.2
110.94131	0.9
111.04404	2.1
115.05455	3.1
116.98624	1.4
118.26849	1.0
119.08569	2.2
121.06509	0.9
121.10178	0.9
123.04411	2.7
125.06014	1.1
125.09628	0.8
128.06206	2.0
129.05511	1.2
129.07008	7.5
131.04939	3.6
131.08553	1.8
133.10120	1.2
135.04417	54.7
137.05971	3.9
143.04926	5.3
145.06430	1.7
147.04369	1.1
147.08025	1.2
147.11641	1.1
149.02347	100.0
151.03909	4.9
151.07614	1.2
157.06476	10.6
158.74852	0.8
159.04411	1.7
161.05991	2.9
163.03917	3.8
165.09093	1.5
167.07040	9.0
171.04419	2.9
173.05972	5.2
175.07527	2.7
178.07690	1.0
181.04979	1.1
183.04518	0.9
185.06041	1.8
187.07558	8.0
189.05429	5.4
189.06929	1.9
191.08527	1.5
201.05460	17.8
203.07016	3.6
206.07216	1.4
213.05463	1.3
217.08450	1.8
219.06212	4.7
219.08076	3.0
231.06493	3.9
233.09496	1.5
235.07542	1.2
247.07445	4.6
249.09120	3.3
259.07529	2.4
263.07059	2.3
265.08511	3.1
267.09244	1.3
275.06915	2.0
277.08658	4.8
281.04434	2.4
281.11780	1.8
282.05292	2.3
287.07031	1.9
293.08099	2.5
295.09647	1.1
300.10107	1.1
305.08090	6.8
307.09525	3.4
317.08063	5.1
321.11255	1.7
323.09131	9.2
326.11615	1.2
335.09061	8.2
339.12186	2.2
341.10141	2.3
341.14151	1.3
353.10217	8.6
353.13989	1.7
371.11023	1.5
371.15085	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	371.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63555	3.0
55.05521	3.0
57.07050	2.6
60.79581	3.6
67.85289	3.6
69.03429	5.7
69.93362	2.9
71.61054	4.2
72.08147	4.7
79.05483	14.8
81.07042	4.7
85.02903	8.5
91.05466	9.8
94.04224	4.4
95.04974	4.7
103.05507	5.0
103.63331	4.0
105.07047	5.7
107.04977	23.4
107.08615	5.5
107.23398	2.8
115.05360	4.4
121.06571	4.0
122.03638	11.3
123.04418	7.8
124.05229	3.9
127.03898	3.9
128.06226	5.7
129.06979	10.9
131.04909	6.3
131.08559	10.2
133.10176	3.9
137.05977	100.0
141.06940	5.2
144.05716	7.5
145.06529	7.1
147.04410	6.0
149.09566	4.0
151.07497	5.0
153.00848	3.3
156.05678	22.2
157.06506	6.7
159.08069	20.0
161.05975	4.2
163.14748	4.3
165.05600	4.1
167.07034	59.1
169.06403	3.8
172.05165	5.3
174.06685	7.7
175.07559	12.1
177.05493	5.9
179.07172	3.7
181.04971	5.3
184.05165	6.2
186.06732	3.3
187.07542	21.7
189.09099	10.5
191.06958	4.4
191.14217	4.2
195.06497	4.8
199.07539	4.4
202.06201	8.2
202.07922	3.6
203.08566	9.0
205.06587	6.1
205.08484	4.7
206.07225	4.9
209.07933	9.5
209.15321	9.9
211.07436	3.6
215.08611	5.1
217.06577	5.3
217.08589	60.7
218.07262	9.8
219.08054	8.5
219.10112	5.2
221.09694	6.3
223.07588	5.7
225.05450	3.3
226.06206	5.3
230.04715	3.3
231.08092	11.4
233.09653	11.7
234.06755	7.6
235.07507	13.5
236.08313	4.0
239.07068	9.8
241.08632	18.3
246.06671	6.6
247.07410	5.2
247.09654	23.3
248.05968	3.2
248.08357	7.1
249.09084	16.5
251.07068	7.5
252.07860	4.7
260.08243	5.7
261.09177	23.2
262.06363	3.1
263.06918	15.2
265.08670	5.2
269.08124	13.6
277.08777	15.3
278.09497	18.4
279.06497	5.4
279.10028	3.7
280.07263	5.6
281.11639	8.0
284.23444	4.0
285.07574	29.5
286.08435	6.2
289.08737	7.4
291.09915	4.2
293.08301	6.0
293.11649	14.9
295.09512	6.6
300.09882	30.7
301.10715	16.6
303.10287	4.6
306.09036	9.8
307.09772	9.2
309.11185	18.7
313.10883	5.7
321.11218	35.8
322.12036	4.7
323.09277	10.3
323.24008	3.2
326.11426	14.0
338.11667	7.0
339.12405	5.4
341.13815	15.9
353.13812	71.4
371.16980	97.7
390.14923	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	370.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05497	1.1
62.52946	0.7
65.03937	1.1
69.03415	2.8
70.02798	1.7
70.03197	2.7
81.03431	1.3
85.02904	2.7
86.07076	0.8
91.05438	1.8
96.93466	0.8
97.02917	1.3
103.05485	1.1
105.06995	1.1
109.02866	1.7
117.05730	0.9
120.08102	1.3
121.06510	12.9
121.08882	0.7
122.06070	1.1
126.99516	1.0
127.03901	1.9
130.06526	6.8
131.04942	0.8
131.07254	1.4
132.08098	5.4
134.09634	0.8
135.08089	1.3
136.07645	1.4
147.06822	2.4
148.07581	9.6
150.05515	4.6
153.01799	2.0
158.05975	2.1
159.06932	1.8
160.07599	19.0
161.08302	1.0
162.07784	1.7
162.09148	33.8
163.61809	0.8
164.07080	2.7
170.58536	0.8
174.05576	2.3
175.06276	7.7
175.07458	0.8
176.07068	9.5
177.07828	11.6
178.08568	1.8
182.88623	0.8
190.08636	56.7
191.09100	1.2
193.07271	2.0
193.76164	0.9
208.09689	48.3
224.03783	0.9
268.97903	0.9
285.00830	1.2
338.12405	2.1
365.75238	0.9
370.14984	100.0
371.15430	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	369.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.05504	3.9
61.02926	4.1
63.57039	2.3
67.05512	3.8
69.03431	32.8
69.07072	3.8
69.39196	19.7
71.05000	3.6
79.05483	11.7
81.03416	6.3
81.07054	4.3
81.58433	2.0
83.04990	7.6
83.08607	3.2
85.02906	17.9
91.05480	6.5
93.07035	4.0
95.04980	3.5
95.08615	3.7
97.02903	5.9
98.34257	2.2
99.04456	5.1
103.05476	4.2
105.07027	16.1
105.40521	2.7
107.04992	2.9
107.08579	8.0
109.02877	3.2
109.06493	2.6
119.08583	9.7
121.06510	10.8
121.10136	4.7
123.08070	15.4
127.03933	5.2
131.08592	5.0
133.06499	100.0
133.10060	11.3
135.08052	9.4
147.08022	5.0
147.11728	3.9
149.09631	4.7
149.13225	2.6
151.07571	11.9
158.10919	2.6
159.08020	4.0
161.09683	5.9
161.13237	7.5
163.11203	14.7
173.13292	5.8
174.10287	3.5
186.43370	2.3
189.12770	37.8
191.14317	45.2
207.13797	61.6
243.13811	6.3
358.49002	2.6
369.14624	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	370.1286
Annotation	Thaspine
Peak:m/z	Relative Intensity
55.05512	0.9
56.05030	1.5
65.99673	0.4
67.05492	0.8
68.05058	0.5
69.03421	2.8
70.06596	4.4
71.01339	0.6
71.61008	0.4
79.05494	0.7
80.05028	1.3
81.03419	0.5
82.06593	2.1
84.08154	0.7
85.02892	0.9
86.09703	0.8
88.17873	0.4
91.05457	0.6
93.07068	0.5
94.06567	1.5
96.08142	6.0
97.08910	3.1
98.09699	4.5
108.08122	0.4
113.06026	0.9
119.04921	0.5
120.08112	0.5
122.09683	9.6
124.07607	2.0
124.11231	7.7
125.09611	2.5
125.11567	1.8
125.91750	0.4
126.09964	0.8
127.03902	1.1
128.81322	0.5
134.09651	1.1
142.12225	0.7
145.08626	1.3
147.04411	0.9
148.11206	1.0
153.01898	0.6
162.09074	0.9
164.10826	0.4
165.01817	0.7
171.04396	0.7
179.03375	0.6
189.05489	1.0
190.08638	0.9
199.04008	0.9
208.09726	1.5
217.05002	1.9
227.03241	0.5
229.11874	0.5
233.04367	0.5
245.04510	6.1
273.03967	13.9
279.10452	0.4
282.08740	0.5
297.07809	0.6
297.10828	0.5
324.08575	2.1
324.12152	1.0
325.07248	0.6
325.10739	2.4
328.11761	1.3
337.09442	0.9
342.13458	0.8
352.11688	2.2
370.12863	100.0
371.13110	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	369.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.5
55.01863	4.1
55.05500	3.7
56.96571	2.8
57.03429	4.9
65.03933	4.0
67.05499	5.1
69.03439	26.1
69.71115	7.2
71.04998	15.9
73.02910	3.0
76.44399	1.7
79.05108	1.6
79.05489	9.5
81.03424	36.8
81.07060	9.2
85.02912	18.5
85.06558	1.8
91.05492	23.9
93.07051	14.5
95.04957	5.8
95.08613	8.3
97.02882	10.4
98.20790	2.1
98.98490	2.0
99.04464	44.7
103.05468	3.6
105.07037	100.0
107.04961	3.1
107.08602	8.5
109.02884	16.0
109.06511	5.0
109.10171	3.0
110.03707	1.5
111.04449	3.7
115.05443	2.1
117.07023	5.0
119.04980	3.5
119.08584	12.7
121.06519	7.2
121.10139	5.0
123.08097	8.2
123.11693	3.6
124.11204	1.8
125.05997	3.3
125.09624	1.8
127.03955	9.8
128.06281	3.9
129.07054	2.7
131.04895	2.1
131.08575	4.4
133.06506	10.7
133.10136	67.3
135.11687	2.1
137.05962	7.5
139.07684	1.7
143.08620	8.3
145.06519	2.0
145.10132	6.2
146.07248	4.5
147.04434	4.2
147.08063	3.9
147.11674	2.3
151.07539	7.4
151.11197	2.5
153.05461	5.5
159.08055	4.3
161.05954	2.8
161.09627	82.4
163.11183	24.2
167.07083	2.5
169.06535	2.4
173.09691	2.5
175.07590	3.5
175.11163	1.9
179.10683	42.8
185.05843	2.3
187.07521	1.9
189.09126	14.9
199.07578	13.2
201.12627	2.1
205.06371	2.0
207.06534	6.2
207.08479	1.8
207.10147	9.9
207.11816	1.7
216.07884	3.0
219.08064	2.7
225.11226	2.0
234.06837	2.2
235.07454	2.6
242.97487	1.7
247.07596	2.0
248.08623	2.4
249.09236	3.8
251.07011	1.9
264.07907	4.1
265.08646	2.3
278.08969	1.8
293.08072	2.0
305.13907	3.6
307.09686	6.7
309.11502	1.9
311.12891	3.3
323.15005	5.3
330.70111	1.6
333.13376	2.1
337.10757	4.9
339.12225	7.0
351.14407	28.6
369.15259	20.6
369.19006	5.6
369.22641	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	368.0976
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61737	0.3
55.01880	0.3
56.23476	0.3
57.03437	0.6
61.02929	0.6
69.03437	1.5
70.80891	0.5
70.81232	0.8
76.03677	0.4
81.03417	0.8
83.43907	0.3
85.02910	5.0
97.02894	1.9
109.02921	0.6
127.03908	1.1
132.04454	7.5
138.33984	0.3
138.63490	0.3
145.04980	1.2
160.03937	0.7
174.63261	0.4
178.04999	64.3
179.05331	0.7
206.04491	100.0
207.04836	1.7
219.77698	0.3
273.77469	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03225	0.6
57.11275	0.6
69.03419	1.1
69.96399	3.2
76.37952	0.6
81.03434	0.7
85.02908	1.5
97.02856	0.8
107.04984	0.7
124.11273	0.8
127.03857	0.6
139.95750	0.7
185.04195	3.9
206.05513	4.8
207.04791	0.9
207.06348	9.3
343.28864	0.7
369.11569	100.0
370.12045	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.6
55.01878	4.6
56.96556	3.0
57.03428	7.5
61.02925	4.7
67.05495	9.1
69.03433	29.9
69.07056	2.9
69.84535	14.8
71.01351	3.8
71.04987	7.1
73.02914	4.3
73.21153	2.5
73.50945	2.2
79.05487	11.4
81.03423	23.8
81.07050	11.4
82.45554	2.4
85.02909	53.6
87.04456	2.8
91.05485	26.1
91.94804	2.3
93.07055	25.5
95.04938	4.5
95.08590	5.9
96.47877	2.6
97.02887	16.1
99.04454	15.7
103.03969	3.4
103.05473	5.2
105.07032	93.7
107.04951	4.6
107.08604	13.2
109.02883	11.0
109.06519	5.5
109.10161	5.9
115.05461	4.7
117.07019	10.8
119.04941	5.6
119.08598	30.5
121.06487	9.2
121.10146	27.4
123.08038	4.4
127.03944	15.1
128.06232	6.0
129.07007	8.7
130.07742	2.6
131.04858	2.8
131.08568	14.8
133.06468	12.3
133.10135	62.4
135.04440	3.8
135.08064	4.3
135.11708	4.2
137.05968	14.9
140.97369	2.5
142.07852	3.2
143.08551	12.1
145.06477	11.2
145.10069	16.9
146.07222	4.2
147.04417	4.1
147.08035	10.8
147.11734	4.8
149.09628	18.8
151.07561	7.8
155.08556	3.1
157.06470	2.9
157.10193	6.6
158.66064	3.0
159.08034	6.4
159.11691	8.2
161.05981	6.2
161.08278	5.1
161.09630	100.0
161.13249	3.8
163.11197	22.1
169.10085	5.2
171.08012	7.0
173.09595	20.4
175.03944	3.7
175.11122	4.8
177.12860	2.8
179.10658	44.2
185.09578	6.8
187.07503	6.3
187.11079	3.3
189.09061	24.8
189.12709	5.9
191.10634	2.9
199.11153	5.2
201.09079	2.6
203.10666	7.9
205.08545	7.2
207.06616	8.1
207.10185	30.1
207.13866	6.0
213.09315	3.4
215.10573	5.3
227.10764	4.3
231.10115	6.6
243.14049	2.9
245.11678	5.1
269.11780	3.9
287.12946	4.7
305.13803	7.4
307.09549	3.3
323.14899	34.7
333.13287	6.4
337.10382	3.7
341.16000	25.1
351.14511	27.3
369.15295	82.8
369.18997	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	367.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58340	0.8
53.03946	1.0
55.01868	2.6
57.03432	5.0
62.02464	4.0
69.03436	14.3
71.01350	3.2
71.05003	5.6
71.61427	1.5
73.60072	0.9
81.03424	7.3
83.05009	1.0
91.05499	1.2
94.17216	0.8
94.19171	0.8
97.02917	1.7
99.04470	7.2
105.07046	1.0
107.42699	0.8
109.06504	0.7
117.05489	4.8
118.06564	2.4
128.19783	0.8
130.06543	2.3
131.06868	2.4
131.08493	0.9
132.08118	1.1
135.06499	4.4
135.08070	0.9
137.05986	1.0
145.07622	13.0
147.09171	11.0
149.07896	1.1
159.06439	1.1
159.09174	13.5
160.10010	1.5
173.07120	2.6
173.10730	1.4
175.08647	4.2
176.07101	2.0
177.07445	2.7
178.07158	1.8
184.10005	1.5
185.10741	5.2
186.11423	1.0
187.08716	2.8
190.08344	0.7
190.09760	57.9
191.08160	100.0
192.08475	0.9
197.10793	3.2
199.08659	2.2
199.12314	3.1
200.09410	1.0
202.09741	1.1
205.08475	2.6
211.08737	1.8
213.10338	4.3
215.11830	3.0
225.10245	6.2
227.11864	1.4
231.11417	1.0
232.10942	0.8
243.11285	2.3
245.12808	1.7
253.09732	2.2
263.14044	2.4
271.10724	6.2
288.13531	2.7
289.11832	12.7
306.14496	39.2
307.13077	3.6
324.15536	19.2
349.15079	1.2
350.13727	0.9
367.16232	46.8
368.16736	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.2
53.77779	3.5
55.05518	21.0
57.07054	9.0
62.74768	3.4
65.03948	5.2
67.05508	42.5
69.03416	6.9
69.07073	23.6
71.04991	6.5
75.01168	3.4
75.76617	4.3
79.05497	36.2
81.07057	52.5
83.04983	6.4
83.08604	9.9
84.22124	3.8
85.06541	4.7
91.04955	5.0
91.05483	63.0
93.07053	76.6
93.43585	3.8
93.86032	3.2
93.98388	3.3
95.04971	36.2
95.08618	50.9
97.06532	12.3
97.10175	5.2
100.04548	3.5
105.07038	100.0
107.08602	55.8
109.06494	12.4
109.10177	43.2
111.08074	7.0
115.05443	9.0
116.06231	5.8
117.07015	20.2
119.07777	6.3
119.08590	88.3
121.06484	10.2
121.10133	48.5
123.08090	5.5
123.11681	14.5
125.09632	3.5
128.06216	8.7
129.07053	18.7
130.07784	9.8
131.08574	56.6
133.10135	52.8
135.08046	16.4
135.11693	20.5
137.09612	9.2
141.07008	5.3
142.07794	19.0
143.08568	39.7
144.09344	7.9
145.10150	61.6
146.07259	3.8
147.08020	14.2
147.11678	21.3
149.09584	10.3
149.13278	7.0
155.08502	12.8
156.09367	19.1
157.10146	53.6
158.10928	10.0
159.08061	7.7
159.11685	45.4
161.09648	31.8
161.13222	14.0
163.11206	7.6
165.06946	4.5
167.08548	7.2
168.09383	4.5
169.10168	17.9
170.10928	8.6
171.11702	28.2
173.09608	7.7
173.13264	22.5
175.11211	8.0
175.14772	21.8
179.08589	6.5
181.10135	6.9
182.10893	7.8
183.11731	24.1
185.13263	20.9
187.14841	12.3
194.10896	10.3
195.11685	13.8
197.13255	14.6
199.14819	17.1
201.12701	6.2
201.16321	4.8
207.11673	6.7
208.12546	5.2
209.13275	25.2
211.14915	7.8
213.12724	6.7
213.16350	5.3
223.14781	7.4
225.16246	6.3
227.14342	13.3
237.16362	6.4
239.17978	6.1
243.37817	4.2
251.17950	4.2
255.17319	5.7
257.19089	6.3
267.17413	5.3
267.20972	4.3
269.18857	4.9
349.25229	8.6
367.26227	9.3
367.30389	9.0
373.49136	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
57.03440	2.7
61.02924	1.0
69.03430	3.7
70.06599	0.9
70.40790	1.4
71.01346	0.7
71.04988	1.7
73.02916	0.9
81.03391	0.9
84.04592	0.5
85.02879	1.1
86.09695	0.6
91.05505	1.3
95.08636	0.5
97.02898	0.7
98.20698	0.5
99.04453	2.2
102.05936	0.6
117.05538	0.8
122.06123	0.5
127.03868	1.3
132.06831	1.0
136.39484	0.5
146.08470	0.8
147.09167	74.7
148.09467	0.8
153.01852	3.5
154.05063	0.6
157.79320	0.5
159.09244	1.4
160.09888	0.7
161.10776	1.5
178.04962	0.5
182.99539	0.6
185.02928	0.9
189.10226	3.9
219.11165	0.6
222.05637	0.6
223.07474	0.6
243.64496	0.6
263.13931	1.1
281.14951	100.0
282.15329	2.6
307.12793	0.9
324.15576	4.5
335.12109	0.7
350.13461	29.0
367.12881	1.2
367.17084	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	367.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72926	0.6
54.01824	0.6
57.03440	3.0
61.02924	1.1
61.96508	0.4
69.03444	5.4
70.06574	0.8
71.05000	1.7
71.61033	0.6
73.02918	0.7
75.88373	0.5
78.60867	0.6
81.03436	1.0
85.02895	0.7
86.09703	0.6
91.05508	0.7
91.52328	0.5
99.04456	2.1
107.08639	0.6
117.05484	1.2
123.25287	0.5
131.06082	0.5
132.06882	0.6
144.56889	0.5
145.07672	0.5
147.09174	77.4
148.09389	0.5
153.01805	3.0
153.05391	0.6
159.09129	0.9
161.10789	1.0
183.38371	0.5
189.10265	4.1
206.03836	0.8
215.11830	0.7
263.14029	0.6
281.14969	100.0
282.15311	2.1
307.12881	1.0
324.15683	4.9
335.12375	1.0
341.82922	0.6
350.13470	28.2
367.13666	2.7
367.17462	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43031	6.8
55.05513	54.7
56.96562	14.3
57.07054	13.6
60.96523	6.7
64.38437	8.6
67.05511	15.3
69.03417	16.1
69.07076	100.0
69.36945	7.8
69.37258	77.0
71.08631	15.3
71.58658	7.2
79.05482	10.1
81.03406	12.1
81.07043	16.5
83.08621	57.0
85.02908	18.4
91.05491	13.0
93.07059	12.9
95.04965	10.5
95.08595	14.6
97.10172	97.9
98.97588	11.2
105.07014	22.6
107.08628	10.2
109.02867	9.9
109.06467	11.4
109.10129	10.7
111.11710	49.0
119.08581	14.9
125.13297	11.5
127.03854	8.7
131.08536	11.4
133.10101	13.9
134.01933	8.2
145.10124	11.4
147.04404	13.5
158.99582	13.1
185.19003	56.5
237.02682	8.2
256.83246	10.1
267.09064	15.5
285.10159	25.8
365.19583	9.6
383.68936	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	366.0373
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81771	0.8
55.98403	0.8
67.91945	0.8
69.65481	5.3
69.87424	0.9
77.61411	0.8
78.65400	0.8
98.60944	0.9
101.00887	3.1
116.07756	1.1
119.01915	8.6
123.53127	0.9
137.02937	1.8
158.99971	1.7
177.00958	19.5
180.96800	1.1
183.00046	0.9
192.99007	1.4
198.97911	1.7
201.01010	2.4
216.98904	5.0
217.04105	2.5
218.98814	1.0
219.02029	27.3
225.01117	2.8
232.21486	1.0
235.00014	8.7
235.99976	1.6
240.98973	8.3
243.02003	6.6
253.01053	1.5
254.89276	0.9
259.00009	33.4
260.00128	4.7
261.03079	93.9
262.03308	1.8
263.03146	1.7
264.99112	4.0
273.98575	2.2
277.01096	19.6
278.01254	2.0
279.00983	1.1
282.99994	74.0
284.00134	7.2
284.04742	1.0
284.99942	1.5
285.99899	1.5
291.99832	1.8
301.01065	100.0
302.01193	9.8
303.01074	1.3
304.01151	1.5
319.01950	4.7
321.97186	1.0
324.02368	1.8
325.01004	8.4
337.41196	1.0
343.02133	42.3
344.02444	3.0
361.03149	8.8
363.00974	1.4
363.51099	2.3
364.01123	1.4
372.01563	1.3
385.03171	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	365.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44262	9.5
53.03939	15.4
55.05521	64.2
56.96557	29.0
57.07065	17.5
61.02932	12.6
69.03423	29.2
69.06770	9.7
69.07076	100.0
70.81581	16.5
70.81886	15.8
71.04989	13.3
71.08630	16.0
79.05464	16.0
81.03405	21.2
81.07053	37.9
83.04942	12.3
83.08622	67.1
83.86887	9.5
85.02905	32.3
91.05461	13.7
93.07041	28.8
93.75617	10.8
95.08604	30.6
97.02900	15.9
97.10182	76.9
97.10725	14.9
98.97603	52.1
99.04462	11.5
105.07034	37.8
107.08591	24.2
109.02857	15.7
109.10161	29.6
111.11717	48.2
113.60803	11.9
115.05473	11.9
116.98609	19.0
119.08565	35.2
125.74249	10.8
127.03944	12.5
131.08553	15.1
133.10156	26.1
135.11719	17.7
145.10109	22.4
147.08009	13.0
147.11693	22.3
151.03891	14.6
152.50197	10.9
157.10156	13.6
158.99654	25.6
163.07176	11.5
165.97420	11.0
169.10109	14.6
169.68445	9.7
175.11159	16.6
177.00710	13.6
185.18993	42.2
193.05130	12.6
242.76366	10.2
267.09006	23.5
285.10074	26.3
354.18597	16.7
365.19327	24.3
365.23715	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	365.1572
Annotation	Arg Cys Ser
Peak:m/z	Relative Intensity
54.03592	0.4
64.25665	0.4
69.64667	2.7
78.49882	0.4
81.07064	0.5
84.98300	0.4
85.67079	0.4
89.51635	0.4
93.07060	1.0
98.20714	0.5
101.60760	0.4
105.07009	0.4
163.11180	1.2
170.29816	0.4
175.08751	0.8
176.07103	0.7
181.08694	0.7
185.09427	1.4
187.11046	0.5
199.42450	0.3
201.03819	0.5
203.05287	1.7
203.08278	1.0
203.10493	2.6
217.09750	1.2
219.35966	0.4
223.65343	0.4
227.08330	0.6
239.40814	0.4
241.09766	0.9
245.09201	2.2
259.10791	0.4
263.10382	1.3
287.10318	1.2
291.09729	0.5
305.11212	4.3
323.12531	1.4
333.10767	0.7
365.15802	100.0
366.16132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03592	0.4
64.25665	0.4
69.64667	2.7
78.49882	0.4
81.07064	0.5
84.98300	0.4
85.67079	0.4
89.51635	0.4
93.07060	1.0
98.20714	0.5
101.60760	0.4
105.07009	0.4
163.11180	1.2
170.29816	0.4
175.08751	0.8
176.07103	0.7
181.08694	0.7
185.09427	1.4
187.11046	0.5
199.42450	0.3
201.03819	0.5
203.05287	1.7
203.08278	1.0
203.10493	2.6
217.09750	1.2
219.35966	0.4
223.65343	0.4
227.08330	0.6
239.40814	0.4
241.09766	0.9
245.09201	2.2
259.10791	0.4
263.10382	1.3
287.10318	1.2
291.09729	0.5
305.11212	4.3
323.12531	1.4
333.10767	0.7
365.15802	100.0
366.16132	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48742	0.9
55.01868	1.2
59.01205	0.9
64.92194	0.9
65.48730	0.8
67.05505	1.7
69.03427	1.0
69.07044	1.4
70.06584	1.3
71.04996	4.6
71.61109	1.0
71.61486	1.4
78.79838	0.9
79.05473	2.3
83.04948	1.2
84.08123	1.2
85.02909	2.3
86.09686	1.0
87.82710	1.0
91.05479	3.6
93.07055	1.1
97.02902	1.0
105.07012	2.8
110.07143	1.3
113.02341	1.1
119.08581	1.1
121.06515	0.9
122.06030	1.3
125.09596	1.1
129.06975	1.2
131.08572	6.2
145.02774	1.1
145.10155	3.0
149.09653	2.6
152.15273	1.1
153.01811	3.4
173.09612	3.0
179.10693	1.3
185.04225	61.1
191.10703	3.9
203.03185	14.7
208.09807	1.7
221.00877	1.7
285.12445	1.4
347.12485	2.3
365.08441	100.0
365.12177	3.5
366.08701	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	365.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25996	0.9
55.24807	0.9
68.97108	0.9
70.30632	2.6
70.30975	1.3
73.18057	0.9
80.07677	0.9
85.02929	1.1
93.71809	0.9
98.97609	1.1
100.14604	1.0
153.01909	0.9
157.03548	1.4
185.04234	23.7
185.11969	1.0
193.06454	1.4
203.05275	47.1
223.06526	1.2
265.07706	1.7
310.39401	1.1
365.10712	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84895	0.7
58.23282	0.7
62.35979	0.9
71.30002	1.4
85.02913	1.4
89.19178	0.7
93.05670	0.8
108.06966	0.7
161.03012	1.0
185.04228	20.4
203.05289	38.6
265.07870	0.7
325.09369	0.8
365.10651	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02095	0.6
67.05499	0.9
69.03440	1.5
70.06573	0.7
70.27229	1.1
70.27631	1.3
71.04988	1.5
79.05507	0.6
81.03379	0.9
84.08163	0.7
85.02900	1.4
91.05457	1.2
93.07055	0.7
94.08324	0.5
97.02916	0.8
105.07028	1.2
107.08553	0.7
110.06104	0.6
119.08570	1.0
128.00780	5.2
131.08566	2.2
145.10100	1.2
149.09679	1.1
153.01814	1.5
155.58186	0.6
162.43561	0.7
163.11203	1.0
173.09673	0.9
185.02792	0.8
185.04239	2.7
191.10657	1.8
202.06024	1.0
203.03221	1.7
205.25319	0.6
209.11700	1.1
221.00806	4.3
228.34320	0.7
291.06586	0.7
319.06082	1.6
329.11304	0.8
347.05444	0.7
347.12695	1.4
365.12082	100.0
366.12292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36322	1.0
56.96569	1.1
61.02934	1.3
67.05486	1.2
69.03436	1.8
69.32772	4.1
69.33199	5.8
71.05000	1.2
72.08133	1.1
78.04711	2.8
85.02913	5.9
95.05007	1.5
95.08643	1.1
97.02887	1.5
98.97604	1.7
106.04184	1.4
115.01832	1.0
121.36976	1.0
123.04452	4.5
124.05273	1.3
140.04758	1.4
151.03929	1.4
156.13812	2.9
167.07048	100.0
184.09755	3.6
202.12590	1.8
202.14371	6.5
219.90602	1.0
223.31296	1.0
364.17560	1.4
387.84851	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1966
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36648	0.4
54.73423	0.3
55.01874	0.7
55.05505	4.2
56.05031	4.4
57.03213	0.4
57.03443	4.7
59.56047	0.4
61.02921	2.5
67.05503	4.0
68.05022	0.5
69.03424	6.7
69.07064	0.5
70.06583	4.1
70.89265	0.4
71.01356	5.8
71.06426	0.8
71.06773	0.5
73.02920	2.6
74.15114	0.4
78.14510	0.4
79.05496	0.9
80.05035	0.4
81.07054	2.2
82.06583	6.2
83.07347	1.0
84.08141	74.6
85.02893	3.4
87.04475	0.4
91.03966	0.5
91.05467	0.5
95.08632	0.8
96.08149	2.1
96.85149	0.4
96.86501	0.3
97.02892	3.4
97.08946	0.5
98.09692	14.6
100.07616	8.3
100.08241	0.5
101.02367	0.7
101.06025	1.8
109.08915	0.5
109.10093	0.8
109.19028	0.4
110.09723	0.6
115.03937	1.3
124.11228	100.0
125.11568	0.9
126.12794	25.1
142.12270	34.1
143.03406	0.9
144.13771	0.6
155.30992	0.4
184.13278	1.7
185.11696	0.7
186.14894	11.9
189.55750	0.4
202.14378	37.9
203.14650	0.5
217.52318	0.4
262.45026	0.4
304.17404	1.2
364.19669	6.8
365.15698	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
55.44259	0.5
65.24224	0.5
69.03079	0.6
69.03433	10.0
71.19040	1.4
85.02902	0.9
85.92100	0.6
123.08073	0.5
125.09628	28.9
143.10597	0.7
171.00543	2.1
185.04218	5.4
202.08672	0.6
203.03156	100.0
203.08922	2.3
204.03438	0.9
260.76813	0.6
285.90735	0.6
365.08438	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	363.0959
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58474	0.6
56.96567	5.9
57.03431	0.8
69.03426	1.0
70.50135	2.0
71.04993	1.0
71.95287	0.7
73.02908	1.0
77.45523	0.5
81.03424	0.7
85.02922	3.0
85.14745	0.6
87.54079	0.6
94.35618	0.6
97.02891	1.2
98.97592	100.0
105.16959	0.6
110.09025	0.6
110.97595	1.6
116.98631	31.4
118.38799	0.6
119.01886	0.6
127.03992	0.9
128.98598	1.0
134.99667	6.1
140.00192	0.6
140.98491	0.7
142.28735	0.6
146.02354	0.6
153.01848	1.9
158.99666	53.8
170.99638	0.9
177.00725	41.2
189.00952	0.7
191.03761	0.6
195.01796	2.3
200.02321	1.2
201.04337	1.0
202.02695	0.6
205.33652	0.7
219.01779	29.3
225.04485	0.8
237.02774	3.2
243.05482	2.8
277.85574	0.7
303.01398	0.9
303.07523	15.9
321.08594	14.3
345.02441	0.9
363.09525	4.1
363.16568	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	363.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74312	4.9
55.24282	5.1
69.03423	6.7
70.06588	6.4
71.60825	5.6
71.61208	8.6
75.12235	4.8
81.16467	4.8
85.02889	9.1
98.97588	52.5
103.97223	5.6
110.97578	10.9
111.60542	5.5
116.98615	17.1
127.03870	12.5
137.54842	5.1
158.99719	12.6
163.03914	6.9
167.07063	29.8
183.02875	8.0
191.03320	11.5
191.05788	5.3
192.35197	5.0
201.10358	5.6
214.30209	6.0
237.02817	13.8
261.06552	8.3
276.02701	8.9
277.03296	13.9
303.01376	39.0
303.77042	5.0
335.10001	7.1
363.10422	100.0
363.15833	36.9
381.10403	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	362.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01886	1.4
55.05500	1.2
56.96581	1.6
57.03429	2.2
59.20891	0.8
60.04526	2.9
61.02922	1.8
69.03431	6.2
71.60791	1.4
72.08169	1.9
73.02921	1.2
74.06075	1.2
77.51498	0.9
79.05475	1.4
81.03418	4.3
81.07069	1.9
82.06580	11.7
84.04500	1.1
84.08154	5.5
84.71329	0.9
85.02910	15.7
91.05476	1.7
93.07008	1.6
94.04087	0.8
95.04977	1.1
96.08126	2.2
96.61210	1.1
97.02915	5.4
98.61672	0.9
98.97585	5.0
100.07688	1.3
108.08105	1.6
109.02914	1.3
109.06532	1.4
110.06047	4.0
116.98615	2.7
122.06035	2.9
124.07612	3.5
124.11264	1.4
126.09161	26.7
127.03918	4.3
134.54102	1.4
136.07568	9.5
137.06055	0.9
142.08633	1.2
152.07094	1.1
154.08633	88.0
158.99709	1.1
164.07036	6.9
182.08131	63.5
200.09184	100.0
200.12921	3.3
201.09517	1.6
237.02818	1.9
243.05446	1.4
303.01141	1.3
316.11813	1.0
321.08664	1.5
344.24448	1.6
362.11945	1.6
362.14999	1.6
362.25388	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	361.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.9
55.01858	7.0
55.05507	22.0
57.03420	8.7
57.07050	2.2
59.04995	2.2
59.62856	2.1
61.02913	8.1
62.88518	2.9
65.03944	3.2
67.05510	22.2
69.03111	2.6
69.03434	27.0
69.06716	3.9
69.07070	45.0
69.65333	7.5
69.65765	9.7
71.05005	14.7
73.02933	4.4
73.06518	2.9
79.05492	23.3
81.03417	12.3
81.07056	63.6
83.08625	27.0
85.02420	4.6
85.02905	78.7
85.06554	17.1
89.11167	2.3
91.03952	6.0
91.05500	13.0
92.04993	3.8
93.07043	18.1
94.06566	4.9
95.04960	9.1
95.08041	2.6
95.08614	31.1
97.02905	23.5
97.06518	7.1
97.10165	7.3
99.04433	5.3
99.08108	14.6
101.53167	3.1
103.05484	3.7
105.07021	8.5
107.04958	14.8
107.08600	25.2
109.02872	9.2
109.10168	5.8
111.08018	5.1
115.05424	2.5
117.07050	3.4
119.04933	2.9
120.04456	5.0
121.06479	9.5
121.09438	2.1
121.10133	17.8
122.06027	7.6
123.11695	7.9
124.07580	7.2
125.09611	8.9
127.03902	11.3
128.06235	4.5
129.06979	8.8
131.04916	3.7
131.08588	3.4
135.04428	7.0
135.08009	3.6
135.11722	5.6
137.06012	15.3
140.07033	7.3
142.08661	26.6
145.04961	12.1
145.10091	2.8
147.04398	5.0
148.05101	3.7
149.05980	4.7
151.07523	7.6
157.06500	6.1
161.04692	16.6
161.05971	11.1
161.09540	3.2
162.05489	5.2
163.07533	5.8
163.14816	44.7
166.06259	3.4
167.07069	25.6
175.03938	2.4
175.07613	3.4
177.09082	2.7
181.08617	28.9
181.15898	18.2
188.03438	71.0
189.09135	25.2
194.43854	2.8
195.08060	3.0
199.15051	5.3
199.16928	100.0
206.04515	15.8
207.10146	5.0
208.26186	2.3
211.07590	3.5
223.16817	3.6
225.09067	6.9
247.07385	2.6
251.06995	2.6
253.08566	3.1
257.11646	5.1
261.12360	8.4
283.09772	5.2
283.13266	4.0
285.11145	7.7
299.09122	3.5
301.11609	2.8
315.12244	6.7
317.13647	5.2
329.11252	47.6
355.65695	2.6
358.08005	2.7
361.12735	12.6
361.18240	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	361.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04975	2.0
60.04522	2.7
61.02930	13.5
67.05473	1.9
69.03428	15.3
69.07063	3.2
71.04990	2.8
71.50665	2.3
79.05492	3.3
80.63612	1.7
80.65462	1.5
80.70498	1.6
81.03393	2.8
81.07040	6.8
83.04967	6.3
85.02906	21.9
91.05473	5.8
92.43664	1.6
93.07043	8.2
95.04919	2.5
95.08609	8.7
97.02879	6.3
97.06522	5.2
103.95218	2.0
105.07047	3.7
107.04956	2.2
107.08596	3.1
109.02914	2.0
109.10151	2.9
115.07537	4.4
119.08549	2.8
121.06523	1.7
121.10148	42.6
123.08068	3.9
124.11217	3.6
125.05946	2.1
127.03904	7.4
137.05992	7.5
137.09615	2.9
139.11182	76.8
145.04910	5.4
163.11195	5.1
167.07063	3.7
179.07013	5.9
181.04929	5.3
181.06438	2.3
181.08585	3.8
181.12260	16.1
192.45509	2.0
199.03734	2.6
199.13293	100.0
207.02835	2.0
207.06554	12.2
218.05632	2.5
255.92596	1.6
260.17194	1.9
267.42160	1.7
273.11111	4.0
333.13708	2.0
348.20996	1.9
361.13004	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	361.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.5
55.01857	3.1
55.05502	3.6
59.28930	1.5
61.02924	2.1
61.58699	1.4
65.03939	2.9
66.77997	1.6
67.05496	5.5
68.34119	1.4
69.03416	3.2
69.07076	6.3
70.63734	3.5
71.04995	2.7
78.04711	2.5
79.05489	13.5
81.03425	2.4
81.07073	8.3
83.08624	2.9
85.02917	10.4
85.06548	3.1
91.05488	29.6
92.27151	1.8
93.07050	13.1
94.04237	2.1
95.04966	6.6
95.08597	4.8
97.02881	3.1
99.04448	1.8
103.05486	11.2
105.07028	10.4
106.04158	2.9
107.04266	3.0
107.04964	32.3
107.08592	1.8
109.02888	2.5
109.06527	2.6
109.10191	1.9
115.05466	4.3
117.07008	5.5
119.04935	7.0
119.08546	2.2
120.05703	2.4
120.75217	1.4
121.06512	20.1
121.10201	2.8
123.04427	8.4
123.08060	2.7
124.05219	5.6
125.06020	3.6
127.03902	3.2
128.06229	8.4
129.07016	30.0
131.04933	9.1
131.08591	13.9
133.02844	2.7
133.06499	4.4
135.04416	5.1
135.08061	6.9
136.05191	1.8
137.05986	19.9
138.03113	1.7
138.06767	3.2
145.06474	6.8
146.07249	2.2
147.04410	4.4
147.08057	4.3
148.05139	4.0
149.06009	8.6
151.03906	5.6
151.07545	18.7
152.04686	4.9
152.06277	2.0
153.05444	14.6
153.06720	2.1
155.07042	2.6
157.06491	22.4
159.04456	1.8
159.08031	2.4
161.05991	43.2
161.09615	10.1
163.07541	23.4
163.14825	6.7
165.05614	2.5
165.06978	8.9
165.09128	9.6
166.06276	9.1
166.07753	4.3
167.07051	66.2
167.08540	4.8
169.06537	2.1
174.06737	13.0
175.07513	8.9
177.05577	2.5
177.06944	2.3
177.09128	10.5
178.07770	2.3
179.07031	4.9
179.08580	6.0
179.10667	2.7
180.07722	1.8
181.05023	4.4
181.06613	3.5
181.08604	100.0
181.15848	2.1
182.07274	6.9
183.08037	3.1
189.09109	81.7
190.07825	3.4
191.08559	4.2
191.10704	2.6
193.06534	6.9
193.08435	2.1
194.07306	4.8
195.08060	10.4
196.08832	2.0
196.83809	1.8
197.06015	2.7
197.09615	10.0
199.07547	3.3
199.16919	12.5
205.10164	2.2
207.08063	5.2
207.10175	15.2
208.05226	2.1
208.08861	4.5
209.06015	2.3
209.09586	2.5
210.06712	7.8
211.07547	5.0
212.08311	2.7
213.09108	2.5
219.08003	5.1
221.06018	7.1
221.09654	2.3
222.06781	4.1
223.07625	10.5
223.11200	3.9
224.08450	3.1
225.05551	3.4
225.09105	15.7
227.06984	5.2
229.12190	3.1
235.07578	3.8
236.04778	2.7
236.08260	6.0
237.09149	3.3
239.07076	5.1
239.10689	3.2
240.07808	5.1
241.08691	2.2
242.09436	3.5
247.07532	3.5
250.06145	1.7
251.06943	3.0
251.10681	6.9
253.08614	15.9
254.09264	1.9
255.06546	2.8
255.10207	6.0
257.11719	17.9
265.08572	3.4
267.10199	2.3
268.07242	2.2
269.08096	5.4
269.11526	1.9
270.08923	5.2
279.10159	6.7
283.09927	11.1
283.13297	9.9
285.07956	3.2
285.11188	34.9
289.14459	2.0
296.10452	2.7
297.11288	3.2
299.09219	2.8
299.12671	4.1
302.11386	6.4
311.12793	8.9
315.12268	19.0
317.13812	24.2
329.13901	3.5
331.15207	3.2
335.88220	1.7
343.15521	8.7
361.16455	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	361.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
60.24715	1.7
66.13413	2.0
69.03422	3.8
69.64616	12.0
70.06581	3.4
72.08171	2.2
75.02672	1.8
81.03416	2.7
84.04462	1.8
84.08112	2.0
85.02895	6.3
86.09698	4.3
97.02869	3.8
98.97576	2.4
124.11245	10.6
127.03897	10.0
130.06517	2.6
140.07056	2.7
153.06964	1.8
154.08647	2.6
155.08492	2.5
157.07556	1.8
165.07001	8.5
169.06468	3.3
178.07643	2.5
179.08545	18.4
181.06480	3.2
181.09953	1.9
182.08138	2.0
183.08041	25.3
185.54059	1.7
189.06976	3.8
193.06294	3.7
194.07283	3.7
195.08075	2.7
197.06030	2.3
198.96930	2.6
199.10783	3.8
200.09187	7.4
207.08055	56.9
209.09671	4.5
210.09145	7.1
211.07542	16.5
217.06476	3.8
219.08017	2.7
221.05887	10.9
223.07574	3.7
232.05083	2.0
234.09203	2.7
234.98784	2.5
235.07542	100.0
237.09111	8.1
238.08644	4.4
239.07037	59.7
252.07635	3.9
252.10214	76.4
253.08549	2.7
263.07010	10.4
280.09668	13.3
281.08093	54.1
284.09103	6.5
297.12320	40.0
298.10748	76.0
315.13248	16.3
326.10269	8.0
343.12906	59.4
344.11340	5.5
361.14136	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41533	1.9
55.01871	3.5
57.42340	2.3
65.46870	1.8
67.05505	3.6
69.03436	7.7
70.06580	6.2
71.04987	2.3
71.61427	3.1
73.02926	4.3
79.05494	3.0
79.96659	1.9
81.03437	4.3
81.07053	4.1
84.08112	2.3
84.21867	1.9
85.02905	7.0
86.09710	7.1
91.05463	5.0
93.07059	6.2
97.02877	6.2
98.97598	7.2
109.02912	3.7
116.07078	4.0
119.07371	2.2
119.08627	2.1
121.06525	4.9
123.08044	3.7
124.11263	3.2
127.03923	100.0
131.04903	4.9
137.05960	3.1
139.07510	4.3
149.05994	3.3
151.07605	2.2
153.01845	2.9
158.99594	2.8
163.03874	2.2
163.07556	3.6
167.07057	28.7
174.93265	2.1
178.38086	2.1
179.03400	5.5
199.09705	7.7
207.02890	5.2
231.02983	2.2
237.05396	2.3
289.62579	2.2
361.01419	2.3
361.14215	10.7
361.18503	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	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18398	3.0
55.01867	4.4
60.04521	3.9
63.31768	3.0
65.03934	4.4
67.05523	5.2
71.04990	5.6
71.61030	4.6
78.04701	2.6
79.05494	16.6
81.03432	3.9
85.02891	10.7
91.05482	35.2
93.07043	17.2
95.04980	10.7
95.08580	5.4
97.06496	3.9
103.05454	19.3
105.04554	3.8
105.07023	16.1
107.04964	47.6
107.08592	6.3
109.06493	5.3
109.10159	4.7
110.02714	3.9
115.05473	5.4
117.07001	12.0
119.04935	11.6
119.08578	7.3
120.05701	3.2
121.06510	17.2
123.04420	11.3
123.08080	4.6
124.05189	6.0
124.11256	5.9
126.09257	3.4
127.03894	3.1
128.06232	8.2
129.07022	22.2
131.04945	14.4
131.08559	11.6
133.02861	8.0
133.06509	4.9
135.04379	3.2
135.08043	11.4
137.05984	32.0
145.06512	11.2
147.04420	7.2
147.08055	3.4
148.05176	3.7
149.05978	9.4
151.03929	9.4
151.07532	20.6
153.05511	18.5
153.06569	3.0
157.06490	16.6
160.03955	6.7
161.05984	38.2
161.09618	13.6
163.03929	3.8
163.07558	42.4
164.07010	2.9
165.05484	9.7
165.06960	7.3
165.09102	9.6
166.06258	9.4
166.08647	6.2
166.13841	3.1
167.07059	72.4
167.08441	5.3
173.06003	6.0
174.06758	13.4
175.07512	10.8
177.05527	4.1
177.06972	5.3
177.09154	9.9
179.07036	7.8
179.08528	7.2
179.10692	3.4
180.07790	11.9
181.06415	6.6
181.08601	100.0
181.10182	6.1
189.09109	75.4
191.07005	7.1
191.10687	3.3
192.06560	14.6
193.06674	3.0
193.08531	5.7
194.07265	4.6
195.08070	10.1
197.06042	4.9
197.09662	10.0
199.09578	14.6
203.05290	7.9
207.08295	5.1
207.10165	17.7
210.06783	6.8
211.07509	8.8
213.08972	3.4
219.06464	10.1
219.08258	4.5
220.06134	5.6
221.05983	5.4
222.06636	4.2
223.07541	8.8
223.10829	3.3
225.09111	14.6
227.07051	6.3
235.07457	3.8
236.08334	4.1
237.09164	4.9
239.07018	5.3
240.07730	4.3
241.08571	5.5
247.07437	4.5
251.10757	8.2
253.08575	11.1
255.06523	4.1
255.10201	7.9
257.11734	16.1
265.08636	4.7
267.10236	6.0
270.08850	5.0
273.26929	3.5
279.10181	5.5
283.09659	13.7
283.13300	9.9
285.11179	31.6
297.11301	7.2
299.14670	9.7
300.10019	3.9
311.12881	5.9
315.14496	45.6
317.13852	22.0
331.15646	4.2
343.15463	13.9
361.14581	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	361.1286
Annotation	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
52.13007	1.0
53.03933	1.5
55.01864	1.4
56.05004	1.2
60.28671	1.1
62.93515	1.0
65.03926	4.3
67.05495	1.3
69.03427	1.2
69.07053	2.4
71.04984	1.2
71.61546	1.8
79.05493	5.2
81.03403	1.7
81.07037	3.9
83.04986	1.3
85.02897	2.7
91.04944	1.8
91.05482	20.6
91.67033	0.9
92.04984	1.8
93.03393	1.8
93.07024	4.3
94.04199	6.4
94.06548	3.3
95.04948	3.8
95.08607	1.7
99.04436	1.1
102.04654	1.8
103.05470	6.3
105.03383	1.7
105.07034	5.3
107.04955	6.9
107.08632	1.4
109.02869	1.3
109.06554	2.1
109.10193	1.1
112.24138	1.0
117.06989	1.6
119.04953	18.4
120.04402	2.9
121.02848	3.1
121.06519	8.7
121.10120	1.1
122.03640	6.6
122.06025	5.0
123.04447	1.3
123.08057	2.1
124.05185	4.4
124.07568	2.8
124.11215	1.4
131.04913	3.7
132.04430	1.2
133.02892	1.6
133.06483	2.7
134.03577	1.1
135.04420	17.9
135.08052	10.2
137.05980	100.0
138.06326	1.3
139.07529	1.8
140.07060	6.1
142.08644	11.0
145.06355	1.2
147.04404	20.8
148.05156	10.5
149.02269	1.8
149.05986	13.8
150.06766	25.4
151.03940	3.2
151.07545	4.4
151.47806	1.1
152.06168	1.2
153.05478	3.8
154.08548	1.1
161.02357	3.1
161.04709	6.8
161.05997	7.0
162.05499	2.7
162.06755	7.5
163.03882	3.1
163.07541	3.7
165.05461	5.0
165.06915	2.2
167.07071	3.2
167.08502	1.6
168.71794	1.0
169.06436	1.7
175.02460	2.2
175.03893	23.1
175.05263	2.1
177.05457	2.6
178.05000	2.3
179.07082	6.1
180.05719	1.8
180.07851	4.1
181.04939	4.6
181.06401	1.8
181.12265	1.3
183.08035	1.4
188.03426	34.8
189.09000	1.2
192.04160	7.1
192.06406	1.5
193.04935	1.8
195.06508	12.0
195.08119	2.5
196.05170	3.2
197.05989	1.9
199.13434	1.7
206.04482	6.6
207.02855	1.6
207.04572	2.4
207.06525	39.9
207.86267	1.3
209.06055	1.5
211.07550	6.6
212.94205	1.1
213.05383	2.1
219.06566	1.9
220.06017	4.0
221.06201	1.3
225.05469	2.6
227.06949	1.3
236.04610	2.0
237.07553	1.2
239.06964	5.5
240.07887	1.8
241.04955	1.5
251.07008	2.5
255.11322	2.1
256.07367	2.6
256.09778	1.9
261.12360	2.2
267.06497	3.3
268.07132	1.4
271.05939	1.1
271.09610	1.3
273.12317	3.4
279.06418	3.0
283.10638	2.0
284.06931	1.9
285.07526	2.0
296.06815	1.3
299.09134	47.4
301.11734	3.6
311.09097	15.4
317.10571	2.3
329.10553	28.8
331.11859	8.7
333.14789	1.3
347.12256	2.0
361.13013	10.0
361.17429	1.5
361.24567	1.4
384.08582	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1284
Annotation	5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-di-C-methylflavanone
Peak:m/z	Relative Intensity
53.03936	2.9
55.01853	1.4
57.03536	1.1
65.03924	2.6
66.04713	1.1
66.18313	1.2
67.05494	2.2
67.27590	1.1
69.03400	1.6
70.06593	1.7
79.05494	5.3
81.07054	2.1
84.15434	1.5
85.02912	1.2
91.05487	21.4
93.07023	3.2
94.04185	3.1
95.04976	1.8
98.97569	1.4
102.04680	2.8
103.01844	1.4
103.05460	4.9
105.03370	1.7
105.07030	5.3
107.04964	5.9
109.02891	1.8
109.06509	2.7
111.04419	2.3
112.60656	1.1
119.04951	16.4
121.02878	3.0
121.06499	8.0
122.03648	8.8
122.05952	1.6
123.04426	2.7
124.05202	5.1
124.07577	1.4
124.11234	2.5
125.08000	1.3
127.03844	1.2
131.04906	3.0
133.02821	1.3
133.06516	1.5
134.03615	2.2
135.04433	15.4
135.08054	11.6
137.05980	100.0
140.07047	1.3
142.08624	1.9
147.04408	22.1
148.05161	8.1
149.02312	1.8
149.05986	11.7
150.06773	24.6
150.07996	1.5
151.03920	3.4
151.07552	2.6
151.52927	1.2
153.05472	2.4
153.06993	1.7
161.02345	4.5
161.05942	5.7
162.06747	8.4
163.03917	3.2
163.07544	3.6
165.05463	3.5
165.06975	2.0
167.07043	4.0
167.08488	2.2
175.03911	28.3
177.05426	2.1
177.62776	1.2
179.03389	4.4
179.07010	6.0
180.07884	1.5
181.05011	2.3
181.06453	2.1
185.06071	1.3
188.03444	6.6
188.25204	1.1
189.09023	1.2
192.04161	6.7
195.06525	13.4
195.08075	2.0
196.05179	3.1
197.05969	2.4
199.15181	1.3
205.04880	2.1
207.02827	4.1
207.04709	2.1
207.06529	44.7
211.07509	7.3
213.05423	3.0
219.06653	1.9
227.07022	1.6
229.08752	1.4
239.07071	5.8
240.07825	2.3
251.07053	3.6
253.04843	2.3
255.06551	1.5
256.07281	1.8
267.06580	5.8
268.07257	1.9
269.08072	2.7
271.06042	1.9
272.10376	2.4
279.06561	3.7
283.09470	1.5
284.06760	2.9
285.07687	1.6
296.06897	1.4
299.09125	44.5
311.09195	17.5
316.69894	1.3
317.09839	1.5
319.10843	1.4
329.10217	25.9
331.11749	5.7
343.11884	2.1
361.12891	8.2
361.16956	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.113
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
53.03940	1.0
55.01870	0.8
57.03445	0.4
60.66253	0.3
61.02922	0.6
69.03436	3.8
69.90796	0.7
69.91216	0.9
70.06582	0.4
72.71974	0.3
73.02914	3.6
81.03417	3.3
85.02917	4.1
87.04485	0.4
91.03969	1.1
97.02899	3.3
99.04446	1.0
109.02888	2.6
113.02386	0.7
124.11249	0.8
127.03924	100.0
128.04285	0.8
130.08739	0.4
131.04929	0.5
132.05246	0.5
137.05971	0.3
145.04996	2.1
153.01801	0.4
167.07050	0.8
168.82188	0.3
199.09485	0.3
217.07083	1.3
361.14667	7.7
361.18430	1.4
375.25748	0.3
377.77179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.126
Annotation	Acalyphin
Peak:m/z	Relative Intensity
63.10071	3.8
69.03413	5.4
70.49886	4.7
70.50229	14.1
85.02905	4.2
109.02914	3.6
127.03907	24.6
153.01831	6.2
181.06216	7.1
191.03299	3.6
246.69008	3.9
319.29846	3.7
343.08362	4.4
361.12350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16924	3.3
51.52401	3.0
55.10995	3.7
57.35492	3.2
67.64376	3.1
69.03424	8.5
69.54565	22.9
81.03415	3.8
85.02902	10.3
86.52399	3.3
97.02908	3.9
97.43519	3.2
98.97566	4.4
99.72650	3.2
99.80708	3.3
101.00880	4.5
116.42758	3.7
119.01945	6.0
122.06004	3.2
124.11281	6.4
127.03943	9.2
153.01801	8.2
157.03366	4.8
190.54788	4.5
194.06996	4.3
194.57233	8.0
195.07150	4.5
202.05919	3.9
205.05489	4.7
239.04222	4.2
277.03415	4.3
281.08099	4.6
303.01151	4.8
361.05435	10.4
361.08917	4.5
361.12576	100.0
362.08466	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	361.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	7.5
69.03429	9.5
70.73650	16.3
70.73988	11.7
73.02894	8.8
85.02894	25.2
97.02866	8.3
100.01130	7.0
105.78542	7.9
120.38551	8.8
143.01907	8.1
145.03497	9.9
157.03517	10.9
199.02122	28.9
311.86057	9.1
361.05606	100.0
361.07089	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	361.0556
Annotation	3,3',4-Tri-O-methylflavellagic acid
Peak:m/z	Relative Intensity
61.99504	0.3
67.05479	0.4
69.03410	0.8
69.35188	3.3
71.04982	0.5
79.05477	0.9
81.03444	0.4
81.07038	0.5
85.02887	0.5
89.52101	0.4
91.05482	1.1
93.07016	0.6
95.04957	0.5
95.08620	0.6
98.20671	0.8
105.07044	1.0
107.04976	0.7
107.08585	0.7
107.50293	0.4
109.02814	0.4
109.10167	0.5
115.05460	0.5
119.04905	0.4
119.08574	0.5
121.06570	0.4
123.04446	0.4
124.11230	0.9
131.04930	0.5
133.02844	0.4
137.05980	1.7
137.48454	0.4
138.05492	0.5
145.10167	0.5
147.04387	1.7
151.03877	0.5
151.07623	0.4
153.05423	0.5
160.05222	0.7
161.06097	0.4
162.06604	0.4
163.03868	0.5
167.07124	2.0
170.03625	0.5
173.02315	0.6
175.03915	1.4
179.03430	1.0
181.06456	0.5
181.08571	0.8
188.04700	1.2
189.09055	0.7
191.03384	0.7
198.03154	0.7
199.03983	0.5
201.01842	1.6
203.03426	2.2
207.02925	1.1
207.06584	1.0
212.01115	0.5
212.55888	0.4
213.09184	0.4
214.02550	0.5
215.03343	0.9
216.04141	3.0
217.04893	0.4
219.02887	1.5
226.02562	2.5
227.03436	1.1
229.01329	2.6
230.02098	1.1
231.02870	1.5
236.05482	0.4
240.00607	1.1
240.15454	0.4
241.01285	0.8
243.02924	0.6
244.03665	4.2
245.00957	0.4
245.04541	1.1
247.02501	3.3
254.02078	1.8
255.02922	1.5
256.03610	0.6
257.00827	8.7
258.01587	2.5
259.02405	1.1
267.99994	0.9
269.00931	0.6
271.02399	0.9
272.03220	3.2
273.03934	1.3
274.04691	0.9
275.01801	3.3
275.04352	0.5
282.01697	0.6
283.02286	0.9
285.00302	6.7
286.00998	1.5
287.01984	0.6
287.99039	0.8
288.99796	0.6
289.03244	0.6
299.01920	0.6
299.09222	1.0
300.02682	6.2
301.03448	2.8
302.04019	0.9
303.01306	6.9
311.09189	0.4
312.99701	1.6
314.00504	0.6
317.02924	1.2
318.03845	0.5
328.02124	21.8
329.02914	13.2
329.10626	0.6
330.03745	0.5
331.00815	12.2
333.05872	0.4
343.15320	0.6
345.02390	2.3
346.03214	23.7
347.03415	0.6
361.05539	100.0
362.05914	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
54.36959	0.3
55.01869	0.4
57.03436	0.7
57.10933	0.3
58.04073	0.2
61.02926	0.5
66.09566	0.3
66.20080	0.3
66.30699	0.3
67.05510	0.3
69.03426	2.6
69.59248	0.6
69.59657	1.4
71.04998	0.4
73.02889	0.3
81.03419	3.0
85.02908	4.3
91.03960	0.4
91.05503	0.6
95.04929	0.5
97.02911	2.8
99.04462	0.6
109.02892	2.0
118.60172	0.3
121.06496	0.4
123.08038	0.4
124.11221	0.8
127.03921	100.0
128.04257	0.5
133.02831	1.4
137.06009	0.5
137.35490	0.3
145.04979	2.3
147.04395	0.4
149.05983	1.3
151.03925	0.5
163.03888	0.4
165.05472	1.0
167.07063	0.4
179.07179	0.3
181.05093	0.3
181.06502	0.4
181.10640	0.4
181.12274	0.4
183.12073	0.4
198.04437	0.3
198.11302	1.1
199.04492	0.4
199.11606	2.4
207.06563	0.4
211.07671	0.3
217.07079	0.8
231.02945	0.4
241.08574	0.3
273.11221	0.3
299.08990	0.4
361.01822	0.4
361.14786	2.0
361.18555	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	360.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.9
56.96548	1.7
57.03457	2.0
60.04522	6.4
62.49672	1.2
67.05492	1.8
69.03432	4.3
70.06603	2.7
71.61127	1.6
73.02903	2.1
81.03416	2.6
82.06590	2.8
84.08157	1.7
85.02914	12.5
86.09698	3.6
91.03969	1.4
91.05485	2.0
97.02907	5.0
103.05470	43.4
103.06129	2.8
105.06987	1.4
107.05006	1.4
109.02898	2.1
116.07088	1.5
119.04938	1.2
119.08604	1.4
124.11248	8.9
127.03919	35.5
131.04935	100.0
135.04373	1.7
137.05925	1.6
145.02895	1.5
145.05026	2.6
150.09099	2.0
152.10669	1.7
153.01820	2.6
163.03951	10.3
163.07556	32.4
167.07129	1.5
180.08780	1.7
180.10269	4.0
181.04980	3.4
198.11244	15.1
208.09773	1.9
342.22995	2.2
343.34763	1.5
360.17252	4.1
360.23788	1.9
361.14728	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	361.0533
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22492	4.7
55.08472	4.4
59.01979	4.9
69.03434	10.7
69.65349	21.2
69.65762	9.9
84.08135	7.1
85.02923	23.6
97.02900	15.8
98.97591	12.2
101.00897	5.2
119.01942	20.3
124.11234	15.4
127.03936	26.2
137.05841	5.4
145.03459	5.1
153.01848	8.8
154.94186	6.3
156.01128	5.3
157.03578	6.0
164.07013	5.1
172.95180	5.5
177.40269	4.9
191.03871	6.2
194.57190	5.3
198.98564	12.6
199.02161	17.7
207.08093	5.1
223.06760	9.9
235.07549	9.4
239.07074	7.7
252.10094	9.8
265.07770	7.4
266.07999	7.0
268.02805	7.9
277.03476	5.9
278.03610	6.6
301.04773	5.6
303.01309	13.0
315.13333	17.7
361.04974	100.0
361.12405	87.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.51740	0.5
60.04528	3.8
65.03935	0.7
68.32735	0.5
69.03429	1.7
69.07086	0.6
70.06598	1.4
71.01074	1.2
76.03161	0.5
77.94533	0.6
79.05492	0.7
79.11948	0.5
81.03405	0.7
81.07062	0.7
85.02901	3.1
86.09722	0.6
91.05489	1.0
97.02912	1.7
109.02857	0.6
121.02870	2.5
124.11248	2.1
133.02812	2.7
135.04395	3.1
137.05974	0.8
141.01524	0.5
147.08156	0.6
149.02344	100.0
163.03906	68.3
164.04268	0.7
167.03384	1.2
180.06470	0.7
181.03352	1.2
181.04955	23.7
213.90216	0.5
321.83472	0.5
342.22763	1.2
360.15512	0.6
360.23935	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	359.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13096	0.7
55.01857	0.9
55.05503	2.5
56.96563	1.4
57.07055	0.7
65.03926	1.5
67.05484	2.3
68.00768	0.7
69.03419	2.6
69.07068	1.7
71.05001	0.8
71.41158	0.7
71.61680	0.8
79.05475	2.1
81.03406	1.8
81.07076	3.6
83.04971	0.7
84.96011	0.7
85.02888	3.0
85.06538	1.0
91.05476	3.4
93.07047	2.8
95.04966	1.0
95.08587	2.3
97.02922	1.3
98.97562	2.3
99.04440	0.9
103.05405	1.2
105.07021	2.7
107.04926	2.4
107.08591	2.0
109.02888	1.7
109.10168	1.7
110.03690	0.9
111.04432	1.5
115.05423	1.6
119.08575	2.3
121.02856	3.0
121.06507	1.4
121.10144	1.8
123.04435	1.2
123.08036	0.7
123.11693	1.1
124.11198	0.8
125.05964	2.3
127.03918	1.7
131.04953	1.4
131.08557	1.0
133.06465	0.9
133.10138	1.4
133.44080	0.8
137.05943	3.8
137.09547	1.2
141.06976	6.4
143.44029	0.7
145.06564	1.3
145.10075	1.1
147.04427	1.8
147.11711	0.9
149.02435	1.5
151.07506	1.5
152.48611	0.9
153.01846	0.9
153.05450	1.5
153.07047	1.0
158.99570	0.8
159.08031	0.9
159.11674	0.9
161.09541	1.0
163.07591	0.8
165.06967	1.5
165.09207	0.9
167.07014	2.3
167.08449	1.5
169.06558	1.0
171.08049	1.1
174.65585	0.8
175.07545	1.2
178.07672	0.8
179.08580	1.6
181.04909	2.5
181.06357	1.4
182.07324	0.8
183.08040	1.0
184.05219	1.0
185.03876	1.1
187.07550	1.7
195.08098	2.3
197.04198	0.5
197.05954	13.5
197.09637	0.8
197.11563	0.8
199.07819	0.8
207.01695	1.1
209.06075	0.9
209.09737	0.9
210.06718	2.2
211.07512	2.0
219.08032	1.0
219.10110	0.7
221.05867	0.8
221.09595	2.1
223.07578	3.4
224.08272	1.3
225.09050	1.9
227.07028	1.7
229.08571	1.0
237.03110	0.8
237.09088	2.2
238.06111	1.6
238.09985	1.2
239.07030	2.8
240.07713	3.8
242.22221	0.7
249.09071	2.1
251.06998	1.4
252.07831	0.9
253.08595	8.5
253.12210	2.8
255.06467	1.2
255.10126	1.7
257.08051	1.5
265.08588	0.9
266.09424	1.3
267.10202	1.3
268.07291	1.3
269.08194	2.3
270.08926	1.1
281.08047	1.8
281.11713	1.4
283.09601	3.0
285.11237	0.9
297.07666	1.0
299.12674	2.9
300.09830	2.7
309.11203	1.8
313.10620	8.4
313.14291	5.2
327.08820	1.1
327.12332	12.2
328.12939	1.0
331.15305	2.2
331.19211	0.7
341.10257	0.9
341.13855	5.1
359.03610	2.0
359.14960	15.2
359.20349	100.0
359.72665	1.2
360.20856	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.9
55.01889	1.1
55.05508	4.2
59.05007	4.9
65.03957	1.6
67.04164	0.9
67.05499	2.0
69.03439	6.2
69.07057	2.6
71.04991	2.2
79.05494	2.6
81.03415	1.9
81.07063	2.8
85.02911	5.7
91.05481	4.4
93.07043	2.6
95.04973	2.0
95.08613	2.5
97.02880	1.5
98.97527	1.2
99.04491	1.2
105.03477	0.9
105.07037	3.5
107.04971	3.1
107.08608	1.9
109.02892	2.1
109.10194	1.3
110.03668	1.1
111.04453	1.5
117.07041	1.3
119.04945	1.2
119.08572	2.2
121.02928	2.0
121.06476	1.1
121.10201	1.7
122.03620	1.4
124.11233	5.5
127.03899	3.4
129.06950	0.9
131.04932	1.6
131.08586	1.1
133.02823	0.9
133.06493	1.1
133.10147	1.3
135.04404	1.9
135.08049	1.3
136.07645	1.1
137.05974	9.7
139.11159	1.1
139.13907	1.0
147.04414	3.4
147.08072	1.3
147.11665	1.5
149.07472	3.7
151.03952	1.6
151.07542	2.8
153.01871	1.6
160.05247	0.9
161.05896	1.1
161.09633	1.4
161.13286	1.1
163.07550	1.7
165.07057	1.2
166.15961	1.2
167.07047	3.8
167.08398	1.2
172.62791	1.0
175.07573	2.7
177.05499	1.0
178.05006	1.3
178.07782	1.2
179.07033	1.9
179.08582	1.0
179.14299	1.5
181.04973	3.0
181.06490	1.0
183.08078	1.2
188.03400	5.4
195.08115	1.8
197.06039	1.5
197.11754	2.6
205.08617	1.7
206.04553	3.5
206.07222	1.7
209.09657	1.0
211.07559	2.5
223.07590	1.8
225.09039	2.3
234.06644	1.2
235.07646	1.1
237.09120	1.4
237.14346	1.7
239.07126	1.3
240.07822	2.7
241.08621	1.5
246.15167	1.1
249.09209	1.5
251.07127	1.4
253.08522	5.1
253.12331	1.8
255.06450	1.4
255.10251	1.1
257.08337	1.1
265.08676	1.1
268.07321	1.1
269.08063	3.1
281.08157	1.9
281.11801	1.9
283.09659	3.1
287.05530	4.7
290.11829	1.2
295.09842	1.2
298.08340	1.4
299.12982	2.2
300.09927	2.2
309.11179	2.3
313.10684	9.3
313.14383	6.5
326.11200	1.5
327.12384	8.1
331.15381	2.6
332.21622	2.2
341.14163	4.8
341.22208	3.4
350.22635	4.5
350.72818	1.6
359.14920	16.7
359.19946	100.0
359.73538	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	359.1853
Annotation	Virolin
Peak:m/z	Relative Intensity
51.37114	0.7
53.03938	1.0
55.01873	1.4
64.32934	0.9
65.03919	4.3
67.05493	1.8
68.97557	0.7
69.07065	1.7
69.67770	2.4
69.68203	2.2
75.07764	0.7
77.03876	0.8
79.05487	4.6
81.07060	1.7
83.04973	1.0
91.05479	10.0
93.03398	4.1
93.07030	1.9
94.04182	2.8
95.04964	1.4
95.08603	1.5
103.05454	2.3
105.07034	16.3
107.04960	6.8
107.08599	2.1
107.18051	0.8
108.05726	3.3
109.06521	2.6
111.04473	6.1
115.05455	1.0
117.07044	1.8
119.04935	2.9
119.08584	1.9
121.06528	3.7
121.10107	1.2
122.03644	6.2
123.04369	1.3
124.05215	5.1
125.05994	6.9
128.06215	1.2
131.08565	0.9
132.05748	1.7
133.06490	12.8
133.10115	1.2
135.04417	1.6
135.08067	2.7
136.05196	7.2
137.05978	73.8
138.06769	3.8
139.07533	15.1
141.05400	1.0
143.08572	4.6
145.06512	3.6
147.04373	1.4
147.08034	3.8
148.08830	2.1
149.05954	2.0
150.06761	2.4
151.03926	33.5
151.04990	2.9
151.07542	100.0
152.07898	1.2
153.05455	16.6
155.07071	0.8
159.08034	1.6
160.08815	1.2
162.06750	2.5
163.07545	2.3
164.08336	5.3
165.05469	14.7
165.09111	28.5
167.07045	11.6
171.08083	6.2
172.08853	0.7
174.10521	1.5
175.07460	0.9
176.08354	3.1
177.09106	3.4
179.10672	26.0
181.08607	1.9
186.10393	3.0
187.07544	1.4
188.08292	4.2
191.10648	3.1
193.08556	1.1
195.10138	1.9
202.09848	6.4
203.10690	14.1
205.12192	4.3
217.12241	15.8
221.11731	37.2
235.13280	28.8
337.18158	0.8
341.17520	3.4
350.03287	0.8
359.04083	1.8
359.18561	1.9
359.22256	1.9
359.26709	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
61.02933	1.3
67.05502	0.7
69.03417	2.5
70.44939	0.7
71.15878	0.8
71.16202	1.2
73.02890	0.8
79.05486	1.3
81.07042	1.8
85.02910	9.7
91.05469	2.3
93.07067	4.2
93.07544	0.7
95.08583	1.1
97.02885	1.6
105.07038	5.8
107.08598	32.7
109.10135	2.1
119.04958	0.8
119.08596	5.4
121.06464	1.1
121.10139	6.5
123.11708	1.0
125.93492	0.7
128.06174	0.8
133.10133	17.4
137.06001	1.1
139.07487	0.9
145.04980	0.7
149.09627	3.5
151.07481	0.8
151.11200	6.4
161.09615	4.7
163.18672	0.7
163.75116	0.8
167.10689	12.4
179.10696	14.7
197.11732	100.0
198.11986	1.2
201.53821	0.7
210.07788	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1851
Annotation	Virolin
Peak:m/z	Relative Intensity
52.25918	0.9
56.96548	1.1
57.35492	0.9
57.81644	0.9
62.48859	0.9
65.03934	2.8
67.05516	0.9
69.07037	0.9
70.73668	2.6
71.26344	1.0
79.05488	4.1
81.07068	1.7
83.04980	1.0
91.05476	8.8
93.03394	2.8
94.04185	2.2
95.04958	1.4
98.21445	1.1
103.05455	3.9
105.07034	19.6
107.04957	5.5
108.05695	2.2
109.06487	1.1
111.04453	4.7
117.07041	1.5
119.04952	2.2
119.08569	2.0
121.06480	3.6
122.03631	3.1
124.05219	3.8
125.06019	5.6
128.06169	0.9
129.02463	1.0
131.04955	1.3
133.06508	16.3
135.04387	2.4
135.08076	1.5
136.05197	8.9
137.05981	71.7
138.06770	7.2
139.07542	11.5
143.08510	1.9
145.06480	2.9
147.08043	4.9
148.08810	2.2
149.05997	1.8
150.06807	2.2
151.03926	17.2
151.05003	2.3
151.07549	100.0
153.05479	11.7
159.07985	1.5
162.06770	2.3
163.07471	1.4
164.08345	8.3
165.05460	8.7
165.09125	35.3
167.07057	8.6
171.08066	4.8
176.08266	2.2
177.09171	2.7
179.10684	42.6
181.08694	1.2
186.10374	1.7
186.57376	0.9
188.08344	2.4
191.10616	3.8
195.10138	2.3
202.09911	4.2
203.10693	11.9
205.12221	2.8
211.99020	1.1
217.12257	10.9
219.24818	1.1
221.11734	30.1
221.13837	2.0
235.13316	23.5
293.54724	1.1
309.14850	1.3
339.56046	1.0
341.17386	4.5
359.04056	1.5
359.18491	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
55.01871	1.1
56.96560	2.1
57.03425	2.6
61.02917	2.4
67.05502	2.1
69.03438	7.3
69.07035	1.1
69.33949	10.3
70.06577	2.8
71.04991	2.3
73.02912	1.8
79.05461	3.1
81.03434	2.6
81.07045	1.8
81.69073	1.0
85.02914	23.6
86.09703	1.1
91.03979	1.3
91.05480	6.8
93.07060	8.1
95.04984	1.7
95.08581	1.6
97.00266	0.9
97.02892	7.9
99.04440	2.3
105.07024	9.6
107.04980	1.6
107.08586	20.9
109.02852	3.9
109.06481	1.5
109.10153	2.1
117.06864	1.0
119.08559	3.7
121.06484	3.5
123.11687	1.3
127.03915	5.6
131.08545	1.3
133.10127	22.8
135.08043	1.3
135.11699	20.7
137.05939	2.8
137.09642	1.2
145.04953	2.4
151.11188	2.0
153.01834	10.3
154.02167	1.4
155.00133	2.0
161.09636	12.7
163.41409	1.0
179.10663	34.9
179.12141	2.3
197.11719	100.0
201.00691	1.7
212.37970	1.0
217.61203	1.0
353.02063	1.0
359.16925	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	359.17
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
50.19041	1.6
51.10027	1.7
53.03948	2.8
53.98638	1.8
55.01878	3.5
56.96577	2.6
61.02932	5.3
63.24622	1.9
67.05497	5.7
69.03435	14.5
69.07086	3.1
69.58012	12.9
70.06588	3.0
71.05002	2.3
73.00108	1.5
73.02931	2.4
79.05498	4.4
81.03439	8.5
81.07059	2.5
84.08163	1.7
85.02905	44.3
86.09711	4.4
87.04492	1.9
91.03977	3.1
91.05501	8.1
93.07055	6.2
95.04973	3.3
95.08627	3.4
97.02902	11.4
97.06570	2.2
99.04457	2.4
101.15820	1.7
102.87728	2.0
105.07030	8.9
107.08601	64.3
109.02901	5.2
109.06540	5.3
109.10156	11.5
109.51442	1.8
116.51503	1.7
117.77135	1.6
119.08638	1.9
121.06528	5.5
124.11283	6.5
127.03892	8.7
133.10126	27.3
133.11018	1.9
135.11729	11.7
137.05998	5.0
137.09622	10.4
137.54700	1.7
145.04941	8.6
148.06326	4.4
149.06073	2.1
149.07175	5.7
151.11229	5.8
153.01842	12.1
154.02150	2.2
161.09647	9.6
163.07651	2.4
165.06628	2.8
177.05589	1.9
179.08282	2.9
179.10684	25.2
192.46579	1.7
197.07878	4.1
197.11737	100.0
198.12119	3.0
205.08931	1.9
277.03726	2.2
359.11719	4.6
359.16907	75.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1492
Annotation	Negundin B
Peak:m/z	Relative Intensity
50.10181	1.4
51.51027	1.4
52.79995	1.3
53.03932	1.9
55.01876	3.2
55.05503	2.0
65.03935	7.2
67.05508	2.6
69.03438	2.8
69.07073	1.6
69.52901	10.3
79.05513	3.0
79.93896	1.3
80.61185	1.6
81.03420	1.7
81.07068	1.9
90.16430	1.6
91.05492	5.2
93.03432	2.7
93.07037	1.9
95.08612	1.9
97.06538	1.8
97.40890	1.4
105.07033	2.0
107.04967	8.1
109.02855	2.2
109.06504	1.8
110.03667	7.2
111.04454	4.8
115.05488	3.1
117.07017	2.3
119.08607	1.9
121.02872	23.9
121.06509	3.3
125.05990	8.1
128.06274	1.8
131.04924	4.0
131.08606	1.6
132.05728	1.8
137.05988	4.2
141.07008	2.6
144.05737	4.4
145.06517	3.4
147.08020	2.6
149.02344	9.7
149.05946	1.8
151.07643	2.4
152.06192	3.1
153.01877	2.5
153.05472	12.0
153.06929	3.8
157.06453	1.7
159.08063	5.8
161.05972	4.5
161.09636	5.9
165.07013	8.6
166.07787	2.8
167.07057	4.8
167.08575	4.7
169.06534	3.2
170.50278	1.5
171.08017	1.7
177.05585	1.6
177.07042	4.0
178.07806	4.7
179.08588	5.2
181.04961	19.7
181.06499	10.8
182.07292	7.2
183.08127	5.1
184.08766	2.4
191.08554	3.8
193.06586	2.8
193.10193	3.0
194.07327	5.6
195.04443	2.0
195.08063	14.5
196.05188	2.0
197.04388	1.7
197.05927	9.7
197.09549	3.6
198.06767	1.9
199.07520	4.3
199.11153	1.8
202.07779	3.1
203.08572	3.2
205.06479	4.3
206.07358	4.6
207.08072	4.9
208.08902	2.3
209.05998	4.4
209.09589	2.6
210.06792	14.8
211.07579	11.7
212.08299	9.1
213.09154	2.4
214.06297	2.0
219.08167	3.3
220.08830	1.6
221.05965	4.1
221.09628	12.2
222.06657	4.1
222.10435	3.9
223.07550	17.5
223.11043	2.4
224.08284	7.4
225.05547	4.5
225.09096	11.1
226.09930	2.3
227.07138	12.6
227.10683	6.3
227.65056	1.6
234.06738	4.2
235.07594	2.3
236.08424	2.5
237.05440	2.3
237.09021	9.9
238.06302	8.0
238.09837	13.2
239.07089	11.5
239.10733	3.7
240.07816	34.0
241.08621	4.4
242.05746	1.7
242.09424	1.7
249.05461	1.8
249.09090	9.2
250.09837	2.5
251.07150	7.5
251.10582	3.8
252.07823	7.4
253.05713	2.7
253.08635	59.6
253.12247	19.6
254.09557	7.5
255.06558	11.1
255.10191	14.1
257.08109	10.4
264.07907	1.7
265.08502	8.6
266.05731	1.5
266.09467	8.7
267.06696	3.6
267.10086	6.9
268.07333	10.4
269.08151	17.1
270.08789	5.3
271.13345	2.1
277.08655	2.5
279.06503	2.1
279.09900	1.5
281.08145	13.8
281.11752	17.5
282.08878	3.4
282.12366	2.1
283.06052	4.9
283.09653	25.3
283.12653	2.8
284.10440	7.5
285.07681	2.8
285.11215	3.8
285.14722	3.3
295.09656	5.3
297.07611	5.2
297.11038	3.1
298.08340	9.1
298.11966	6.1
299.12762	25.2
300.09930	16.0
309.11243	18.3
310.12088	5.2
313.10709	77.0
313.14371	45.5
314.11401	1.7
316.94519	1.7
325.10626	1.8
326.11514	5.8
327.12289	100.0
328.12970	5.9
331.15427	20.7
341.13873	40.3
359.14905	87.9
360.14966	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	359.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31411	0.7
55.31510	0.7
57.03413	1.0
61.02913	1.5
69.03440	4.8
69.66732	4.0
73.02915	1.5
81.03412	1.3
84.51699	0.7
85.02927	5.1
87.04470	1.3
87.70982	0.9
91.03954	0.7
92.04985	1.3
93.05776	0.9
94.06545	1.6
97.02860	1.8
99.04486	0.8
109.02870	0.8
110.06053	1.1
119.06071	20.3
121.07644	1.2
122.06025	0.8
123.06791	2.8
124.03941	0.7
124.67405	0.7
127.03953	2.2
130.80376	0.7
137.07095	5.6
138.05458	0.9
145.05035	0.7
147.05534	14.0
148.03954	4.8
148.06319	55.5
149.04649	2.5
149.07112	66.4
150.05481	1.3
151.08640	1.8
164.05841	1.4
165.06604	46.6
166.07387	7.7
179.08167	43.7
197.09227	41.3
207.07715	1.5
248.79349	0.7
275.63773	0.8
326.38138	0.7
359.14444	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Negundin B
Peak:m/z	Relative Intensity
50.72507	1.1
53.03949	1.7
53.30562	1.1
55.01873	2.2
55.05515	1.3
65.03941	7.9
67.05505	2.3
69.07099	1.8
69.86496	7.2
79.05488	2.0
80.22900	1.2
81.07015	1.9
82.04192	1.3
85.02895	4.4
85.06568	1.5
85.63326	1.5
87.48798	1.1
91.05485	5.4
93.03397	3.6
93.07058	1.7
95.01351	1.4
95.04967	2.2
95.08608	1.8
97.02895	2.1
105.07026	3.0
107.04964	6.9
107.08572	1.2
109.02884	1.8
109.10177	1.6
110.03703	7.8
111.04456	7.1
115.05457	2.9
117.06999	2.5
119.05004	1.9
121.02003	1.3
121.02870	23.5
121.06506	2.9
122.78984	1.2
123.04399	1.3
124.11066	1.5
125.06000	10.6
128.06172	2.1
129.07011	3.2
131.04945	2.1
133.10106	1.8
135.04370	1.5
135.08051	2.9
137.05963	2.5
138.03125	2.1
141.07001	2.9
144.05704	4.0
145.06514	4.0
147.04372	2.2
147.08064	2.8
149.02348	5.5
151.03893	2.7
151.07478	1.4
153.05482	9.3
153.07001	3.4
157.06526	2.2
159.08061	6.7
161.06017	4.3
161.09631	4.1
162.06792	2.8
165.06995	8.2
166.07800	1.7
167.07040	3.7
167.08580	4.1
168.05667	1.3
169.06490	2.5
175.07547	1.9
175.27983	1.3
177.07018	2.8
177.09131	1.4
178.07767	4.9
179.08545	4.6
181.04962	19.8
181.06500	10.4
182.07292	7.6
183.08060	4.7
184.05269	2.6
184.08842	2.1
187.07491	1.8
190.07835	1.9
191.08617	2.3
193.06653	1.4
193.10129	1.9
194.07298	4.9
195.08052	17.0
196.05293	1.4
196.08795	2.1
197.05984	7.5
197.09616	5.4
197.11481	1.8
198.06812	1.8
199.07629	2.8
202.07776	2.6
203.08578	2.7
205.06500	3.0
206.07251	4.8
207.08070	4.9
209.05975	5.8
209.09622	5.3
210.06755	15.0
210.10353	2.7
211.07542	9.4
212.08334	7.0
213.09204	2.7
214.06253	1.4
219.08090	3.6
220.08965	2.6
221.06139	1.8
221.09607	13.3
222.06821	4.7
222.10474	4.8
223.07591	16.9
223.11113	2.5
224.08304	7.1
225.05530	4.2
225.09059	11.9
225.12543	1.6
227.07004	9.3
227.10722	4.6
229.08614	1.3
231.08121	1.5
233.06007	1.4
234.06789	4.3
235.07594	4.4
235.11224	1.3
236.08278	2.2
237.05560	1.4
237.09090	12.2
238.06281	8.2
238.09856	12.4
239.07074	13.9
239.10704	4.7
240.07820	32.8
241.08534	6.9
242.05661	1.9
248.08377	1.7
249.09125	7.3
250.06189	1.5
250.09778	2.5
251.07010	11.0
251.10818	2.1
252.07768	9.5
253.08630	55.2
253.12265	20.6
254.09468	8.6
255.06502	7.0
255.10263	12.2
257.08078	8.6
257.11758	1.4
263.07309	2.1
263.10596	1.6
265.08517	7.3
266.06009	2.1
266.09393	9.5
267.06662	3.0
267.10165	9.1
268.07321	11.6
269.08093	16.7
269.11172	2.1
269.11642	1.8
270.08896	5.0
270.12448	1.9
271.13315	3.1
272.10471	1.9
277.08481	2.5
280.07297	1.8
281.08163	14.9
281.11765	19.9
282.08856	4.3
283.06100	4.8
283.09665	26.2
283.12723	1.4
284.10425	9.6
285.07526	4.3
285.11243	6.2
285.14575	2.0
294.08890	2.2
295.09851	5.8
297.07574	5.2
297.10995	2.6
298.08438	10.7
298.12009	7.1
299.09470	1.7
299.12793	25.0
300.09958	16.5
301.10648	2.1
303.16095	1.6
309.11240	15.6
310.12042	4.1
311.09219	2.6
313.10721	80.7
313.14386	56.2
314.11160	1.9
326.11533	6.1
327.12271	100.0
328.13080	6.5
331.15414	26.2
341.13849	47.7
359.14917	99.2
359.19974	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	359.0762
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
56.96553	0.9
67.05507	1.1
71.05001	0.7
71.62009	0.8
77.03944	0.5
79.63096	0.6
81.07066	1.3
85.02909	0.8
91.05492	0.7
93.07032	0.8
95.08640	0.8
98.97604	1.4
101.63499	0.5
102.71789	0.5
105.07053	0.8
113.38525	0.6
116.98616	0.8
119.08682	0.8
121.10094	0.7
142.68555	0.6
143.08572	0.8
145.06505	0.6
145.10130	0.7
148.39124	0.6
153.11600	0.5
155.04927	1.6
157.06523	1.3
158.03610	0.7
158.99629	0.8
183.04433	1.7
184.05382	0.7
185.06007	1.3
186.03123	1.4
198.03154	0.9
199.03932	1.5
201.05536	0.8
202.02550	1.1
211.03979	1.0
213.05490	2.3
214.02649	0.8
215.03506	0.6
217.05008	1.3
226.02591	1.3
227.03477	2.5
229.04984	1.6
230.02177	1.5
241.01283	3.4
241.05017	2.0
242.02068	2.2
243.02908	0.6
243.09149	0.8
245.04381	3.1
254.02084	0.8
255.02911	3.1
257.04453	3.2
258.01624	1.4
259.02396	1.0
269.00864	3.3
269.10641	2.1
270.01584	8.6
271.02438	1.7
272.03162	0.7
273.03955	5.1
283.02328	2.1
284.03183	2.2
285.00699	1.2
285.03915	9.7
286.01089	12.4
287.01831	1.9
297.00403	3.7
298.01099	4.2
298.04202	0.9
299.01968	1.7
299.05609	2.8
300.02634	3.7
300.06125	1.0
300.99985	1.6
301.03394	9.1
303.05066	1.2
311.02011	1.2
312.99878	1.0
313.03360	10.4
314.00809	0.8
315.01718	1.1
315.05014	3.1
316.05774	0.8
326.00668	9.2
326.04245	1.8
327.01221	0.8
328.02646	0.5
328.05777	18.6
328.99338	2.1
329.02902	19.5
330.03464	1.1
338.20047	0.6
343.00830	2.0
343.04553	5.4
344.01550	8.5
344.05325	27.1
359.03851	34.2
359.07672	100.0
360.08023	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0398
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
57.03439	3.2
69.03378	0.5
69.49284	0.7
69.49696	3.3
74.58669	0.5
79.05513	0.7
81.07060	0.7
91.05484	0.9
95.08631	0.6
107.04926	0.7
116.02630	0.5
133.10143	0.7
135.07967	0.7
137.05965	2.5
147.04405	1.0
149.06030	0.7
158.03673	0.6
161.05989	2.4
167.07109	0.7
179.06775	0.6
186.03125	2.9
189.09070	0.7
193.08519	0.8
202.02541	0.9
212.01073	0.6
214.02663	2.2
216.04250	0.8
217.01369	0.6
217.08650	0.9
230.02118	1.7
231.02962	0.6
240.00551	1.8
241.01360	0.9
242.02039	4.5
244.03745	0.8
245.00848	1.8
245.04520	0.7
253.08643	1.4
254.02148	1.1
255.02687	1.0
257.00787	1.5
258.01599	2.6
270.01590	16.8
270.04477	0.9
271.02429	1.9
272.03177	2.2
273.00391	0.9
273.03906	1.3
285.00296	1.4
285.11130	1.1
286.01129	1.1
288.02594	1.2
297.00287	4.5
298.01086	10.4
299.01892	0.8
300.02643	1.7
300.99786	4.7
301.03427	3.8
302.00592	0.8
309.11215	1.9
312.99890	0.8
313.07251	0.9
313.10693	0.6
314.00443	1.1
315.01224	2.8
326.00549	23.1
327.01334	0.9
327.49634	0.5
328.99274	6.7
329.03012	5.4
329.99854	0.6
341.13806	1.5
343.00897	4.2
344.01651	26.4
359.03973	100.0
359.14874	2.5
360.04333	2.8
374.44846	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0398
Annotation	Distemonanthin
Peak:m/z	Relative Intensity
55.05515	0.3
56.96556	0.3
67.05504	0.6
69.07058	0.5
69.84474	0.3
70.41853	0.9
70.42207	0.5
81.03407	0.4
81.07058	0.8
85.02908	0.5
93.07047	0.6
95.05008	0.3
95.08598	0.9
98.20827	0.5
105.06992	0.5
109.02811	0.4
119.08535	0.3
126.92033	0.3
128.02565	0.3
142.04280	0.3
158.03625	0.4
186.03119	4.0
189.01799	0.4
198.03146	0.5
199.40993	0.4
201.01865	0.6
202.02635	0.8
212.01021	0.9
213.01813	0.8
214.02560	1.7
215.03294	0.5
226.02740	0.4
227.03313	0.5
228.00652	0.5
229.01271	0.5
230.02110	1.4
240.00542	2.2
241.01303	0.8
242.02090	4.7
243.02841	0.6
244.03751	0.8
245.00798	1.2
245.04442	0.6
253.01337	0.4
254.02104	0.8
255.02916	1.0
257.00830	1.1
258.01648	2.2
269.00784	0.6
269.10635	0.5
269.17416	0.6
270.01578	14.3
270.04501	0.7
271.02386	2.1
272.03067	2.0
273.00430	0.7
273.04004	1.2
283.02551	0.7
285.00323	1.1
286.01102	1.5
287.01855	0.8
288.02643	1.2
295.99289	0.4
297.00378	4.8
298.01080	9.0
299.01822	0.6
300.02750	1.9
300.99744	4.0
301.03412	4.5
302.00595	1.5
312.99713	1.2
314.00464	0.8
315.01349	2.4
316.02045	0.7
326.00568	23.2
327.01175	1.0
328.99246	4.7
329.02957	6.0
329.99951	0.5
331.04456	0.5
340.99255	0.7
343.00803	5.0
344.01636	22.6
359.03973	100.0
360.04437	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1497
Annotation	Bakankoside
Peak:m/z	Relative Intensity
51.08447	0.8
53.03946	0.9
53.96157	0.7
55.01863	1.2
55.05482	0.8
56.96577	6.7
57.03422	2.6
61.02923	3.7
66.41941	0.9
69.03438	9.4
70.06591	3.2
70.98145	0.8
71.04980	1.1
71.29968	1.9
73.02903	2.6
79.01847	0.8
79.05529	1.0
81.03421	4.3
82.06570	0.8
84.08132	3.1
84.96019	1.0
85.02906	14.0
86.06042	1.1
87.04472	2.0
91.03953	0.9
91.05485	3.5
97.02905	6.9
98.97587	11.3
99.04445	1.8
99.69193	0.8
103.05473	1.6
105.07062	2.1
105.52155	0.8
107.04935	1.0
108.08115	3.0
109.02874	1.9
110.07182	1.6
110.97597	3.4
112.99133	1.8
115.05424	2.0
116.98624	2.0
117.05766	6.8
118.06604	1.1
119.01989	1.3
120.08134	1.0
122.06041	1.1
123.06837	6.4
124.07629	1.6
124.99085	1.6
127.03944	4.9
128.98598	2.1
130.06516	3.1
132.08098	13.8
133.05215	2.3
134.06030	4.1
136.07574	7.7
138.05502	3.5
139.55862	0.8
143.00223	1.6
145.05029	1.8
146.99669	1.1
147.06821	3.1
148.07581	36.8
149.01128	0.9
149.08350	1.2
150.05499	4.0
150.09149	11.1
152.07071	8.8
153.01843	9.6
154.02139	1.2
156.10164	2.3
158.99713	2.2
160.07593	44.0
161.01233	1.6
163.06381	0.9
166.08635	2.6
173.06564	0.9
176.07112	1.3
177.38727	0.9
178.05057	2.0
178.08638	59.5
182.99770	0.9
183.09956	0.8
189.00858	2.0
192.04659	2.6
196.06058	35.1
196.09703	61.2
197.06720	2.3
199.98621	0.9
201.00671	2.3
219.01781	2.6
239.04417	2.9
240.05661	0.9
244.99779	2.0
245.05269	1.0
259.02344	1.4
261.02722	1.4
263.00851	1.6
277.03436	4.0
303.01346	3.5
321.10382	1.0
340.13931	5.1
358.14990	100.0
359.15121	1.1
376.06097	1.0
383.08762	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	357.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.5
64.06213	0.3
69.03428	0.4
69.07063	0.5
70.47829	0.3
70.95179	1.1
70.96303	0.4
79.05470	0.4
81.03439	0.5
91.05458	0.5
97.02897	0.4
98.97565	0.4
105.07037	0.7
114.09129	0.5
115.05412	0.7
116.04941	0.9
127.03957	0.4
137.05997	4.0
137.20035	0.4
144.04485	2.0
151.03885	0.5
151.07524	0.5
153.01825	2.0
153.05467	1.2
157.06471	0.4
161.06073	0.4
162.05498	0.8
172.03954	6.3
177.09117	0.4
179.07053	0.4
187.07622	0.7
190.07710	0.4
191.06966	0.7
195.09843	0.3
203.05302	0.5
203.07043	1.4
204.06551	10.1
219.08121	0.5
226.06316	0.4
233.07928	0.6
237.14650	0.4
243.06546	1.5
261.09189	0.7
263.06879	0.4
264.07840	0.5
271.05908	0.7
277.08643	0.4
279.10187	0.5
286.08368	2.4
287.09378	0.5
306.08798	0.4
307.09506	0.8
321.11331	0.5
325.10971	0.4
327.12213	0.5
339.12415	1.7
357.18829	100.0
358.19159	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37141	1.8
56.96558	4.3
57.03422	1.9
59.10559	2.2
69.03432	7.7
69.53378	13.3
69.53793	4.2
70.06595	3.8
70.06994	2.0
80.88520	2.0
81.03421	2.5
84.08156	2.9
85.02913	10.9
86.06074	2.5
91.03925	2.5
91.05465	3.7
97.02892	5.2
98.97591	8.5
107.29916	2.0
114.05571	2.8
116.98653	3.4
117.05824	2.0
118.25382	2.3
119.01933	2.6
124.11249	3.1
127.03955	4.7
132.08078	5.0
136.07594	3.7
137.81107	2.3
138.05476	4.4
147.06880	2.2
148.07573	14.1
150.09192	6.0
152.07062	3.0
153.01843	8.9
160.07571	20.2
178.08649	31.0
182.20767	2.2
196.03732	100.0
196.05974	10.2
196.09700	26.4
201.00610	2.8
206.32884	2.3
219.01636	2.5
267.04642	2.4
267.07367	5.0
277.03491	4.9
280.51624	2.1
303.01425	4.7
326.12558	3.2
340.13928	2.9
358.09033	66.0
358.14948	41.6
358.25143	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	357.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10086	1.2
55.01883	1.8
63.81615	1.3
68.06883	1.3
69.03419	1.7
69.67127	2.7
69.67535	7.5
70.06590	1.7
84.08153	2.3
85.02918	2.7
91.05463	2.4
99.00853	2.5
105.03384	1.8
109.02903	2.4
111.04425	2.8
119.04958	3.6
121.02885	1.8
125.06876	1.4
131.04976	2.3
133.02861	6.7
135.04410	7.0
137.02371	5.4
139.03883	3.6
144.84500	1.3
145.02776	2.0
147.04407	10.6
149.02440	1.5
151.03920	1.5
153.01790	2.4
156.97482	2.1
159.04401	1.9
163.03944	12.8
165.01836	21.0
167.03418	8.8
175.03897	11.2
177.01848	6.4
177.05591	1.9
179.03397	4.3
181.01315	3.5
183.02914	15.4
186.91977	1.5
191.03394	34.8
193.01343	20.3
193.04921	4.5
195.02914	9.9
198.98558	6.1
201.01834	3.1
203.03400	59.4
205.01328	5.0
205.05069	4.4
207.02849	4.4
209.04568	2.5
210.98682	2.0
211.02373	4.3
219.02905	81.7
221.00922	16.4
221.04430	7.6
223.02315	15.7
229.01360	3.0
231.02823	10.2
233.00836	13.1
239.01926	8.1
247.02397	100.0
248.02930	1.7
249.04034	13.1
251.01889	1.6
257.00824	1.9
265.03503	18.6
275.01874	63.9
275.04892	3.3
277.03415	1.6
293.02939	76.9
301.01407	1.6
302.96329	1.9
303.01355	6.5
321.02405	23.8
339.03531	29.4
373.78076	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.24427	0.5
56.96558	1.2
57.03423	1.1
61.02909	1.9
61.72094	0.5
69.03431	3.8
70.79687	1.0
73.02906	1.5
79.05496	2.8
81.03400	1.4
85.02924	4.2
86.22536	0.5
87.04432	1.0
91.05490	4.9
93.07050	0.7
95.04962	0.8
97.02886	2.4
98.97581	1.5
99.04462	0.6
103.00656	0.7
103.05451	2.2
105.03402	0.5
105.07034	5.3
115.05462	0.6
116.33840	0.4
117.05771	12.4
120.08096	3.5
122.06036	1.2
123.06878	0.4
124.11172	0.7
127.02997	0.6
127.03925	1.4
130.06512	2.8
131.04933	0.8
131.07324	2.2
132.08087	16.5
133.05212	6.2
134.06044	0.7
137.08342	2.4
138.05479	2.0
147.06767	3.3
148.07574	42.5
150.05519	6.7
150.09140	1.1
153.01823	9.7
153.02962	1.0
160.07584	9.2
160.53192	0.6
164.04771	0.5
164.07062	2.0
166.08652	10.8
176.07071	45.3
177.07440	0.7
194.08130	41.3
205.00212	0.8
286.00955	0.6
338.12424	1.2
356.13394	100.0
357.13580	2.1
379.05466	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05513	33.1
56.96572	4.6
57.03430	11.3
57.07074	20.4
57.72075	2.6
58.41222	2.9
67.05508	68.7
69.07072	42.8
71.08652	7.2
71.62278	5.2
72.08157	9.9
73.04765	3.2
76.43073	2.5
78.27651	3.2
79.05502	21.7
81.07061	100.0
83.04982	5.5
83.08619	32.9
85.02883	4.1
85.06540	5.4
85.10213	5.3
88.07594	3.7
91.05444	19.6
93.07048	36.7
95.05003	4.3
95.08609	83.2
97.06526	9.3
97.10174	22.0
99.08106	3.7
105.07041	24.6
107.04922	3.4
107.08582	22.9
109.06531	4.0
109.10154	40.1
111.08144	4.7
111.11682	6.4
119.08591	24.4
121.10155	30.8
123.08111	3.5
123.11719	19.3
131.08524	5.8
133.10144	22.0
135.11671	19.8
137.06064	5.3
137.13266	7.5
145.10091	7.1
147.04440	4.3
147.11697	14.1
149.09612	6.6
149.13277	11.6
151.11182	3.7
151.14847	5.3
157.10043	4.8
159.11707	3.6
161.13254	13.4
163.14839	10.9
165.16455	7.0
167.03416	10.7
168.01169	3.0
175.14835	12.9
179.17905	3.7
185.13284	3.6
189.16408	5.8
203.17798	3.3
229.07524	11.0
230.07796	5.8
245.22652	45.8
247.08659	6.5
263.23718	39.9
271.09756	4.8
287.09189	8.4
337.27420	29.7
338.34167	7.8
355.15585	5.5
355.25870	6.7
355.36826	9.2
356.35165	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	355.2843
Annotation	MG(18:2(9Z,12Z)/0:0/0:0)[rac]
Peak:m/z	Relative Intensity
50.22072	2.5
53.03935	4.4
55.05521	56.9
57.03455	13.2
57.07065	12.0
59.82071	2.4
61.02888	3.0
67.05161	4.6
67.05511	84.7
69.03411	3.2
69.06725	4.0
69.07078	66.6
69.94402	9.3
69.94821	5.3
71.08644	4.8
73.30468	2.3
79.05499	32.5
81.07064	95.6
83.08624	47.4
85.06538	6.6
85.10167	2.6
91.05446	19.8
93.07050	42.8
95.04951	3.0
95.08614	100.0
97.06548	12.7
97.10182	24.8
99.08129	3.1
105.07037	18.7
107.08611	29.9
109.06525	5.5
109.10166	47.8
111.08106	4.9
111.11732	6.2
113.09652	2.9
119.08587	20.4
121.10155	34.1
123.11706	23.8
125.13284	3.1
131.08572	3.6
133.10139	20.6
135.11719	24.2
137.09671	3.4
137.13281	4.9
139.11081	2.6
145.10139	3.0
147.11670	10.6
149.13293	14.0
151.14801	5.5
159.11757	3.5
161.13263	16.8
163.14830	14.4
165.12741	2.9
165.16423	4.1
175.11047	2.5
175.14822	8.9
177.09158	3.7
179.18013	3.1
189.16428	5.5
245.22659	30.0
263.23706	31.8
309.25662	4.9
327.14816	2.7
337.27444	20.7
355.15643	4.2
355.28369	49.1
355.33905	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	355.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32692	1.6
53.03936	4.8
55.01872	1.7
55.05260	3.6
55.05514	68.9
56.96563	2.3
57.03437	24.4
57.07082	9.9
59.45072	1.8
65.03952	2.3
67.05506	79.2
69.03416	3.0
69.07069	80.8
70.06590	2.6
71.04990	4.6
71.08624	5.5
75.04453	2.5
79.05490	29.7
81.07059	100.0
83.04982	5.4
83.08624	51.7
85.06543	7.1
85.10159	2.1
88.07613	4.9
91.05444	20.4
93.07044	27.7
95.04926	3.5
95.08607	85.9
96.08960	1.7
97.06553	10.0
97.09538	1.9
97.10168	34.8
98.21516	3.1
99.08075	3.1
103.05459	3.0
105.07027	19.9
106.08669	3.5
107.04948	6.5
107.08595	20.0
108.05760	2.5
109.10172	34.7
110.18015	2.0
111.08067	5.7
111.11737	9.9
115.05442	1.7
117.07039	3.0
119.08574	15.6
121.06476	3.9
121.10161	21.2
123.08075	3.0
123.11710	13.2
125.09647	3.8
125.13321	3.0
125.36629	1.8
131.04857	2.8
131.08583	3.0
133.06496	5.0
133.10126	11.6
134.07259	2.6
135.04451	3.2
135.11707	13.1
136.05156	4.1
137.05989	2.0
137.09579	4.9
137.13300	4.0
139.11249	2.2
143.79224	2.0
145.10126	3.9
147.11702	11.0
149.05920	2.0
149.13251	11.8
150.06776	16.2
151.07550	65.6
151.11076	2.9
153.12801	2.2
159.08049	5.1
161.13254	6.0
163.14793	6.9
165.09122	82.9
171.07957	2.8
175.14857	5.0
177.09169	2.8
179.03394	2.2
179.10696	6.6
179.14436	2.7
186.10367	6.5
187.07512	7.8
193.05025	2.4
195.17635	2.5
202.09885	20.8
207.17470	2.0
213.16389	1.9
217.12247	48.4
245.22681	5.1
263.23730	12.0
281.24713	3.6
283.09586	2.0
337.27383	8.8
355.07492	2.5
355.15097	9.2
355.19330	13.1
355.28397	82.1
355.33926	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1729
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
55.84855	0.4
69.03432	0.8
69.46688	1.4
69.47119	2.2
76.93235	0.5
80.67338	0.5
81.07066	0.7
85.02926	0.5
91.05466	1.0
93.07037	0.7
98.97571	0.7
105.07016	0.7
119.04922	0.6
121.10176	0.7
123.11818	0.5
137.05974	1.5
193.04988	1.7
193.08566	0.9
323.08963	0.6
332.00757	1.1
355.17291	100.0
356.17670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05507	3.5
57.03431	1.4
57.07055	0.8
63.07018	0.5
66.04691	0.6
67.05508	5.4
69.07077	4.1
70.06593	1.3
73.20537	0.5
79.05491	5.3
81.07063	6.5
83.08620	2.8
88.07623	2.1
89.08005	0.6
91.05446	4.6
93.07029	3.0
95.04981	1.1
95.08613	4.4
97.10178	1.4
100.39697	0.5
103.05486	1.9
104.06279	0.6
105.06351	0.9
105.07022	8.5
107.04952	6.4
107.08604	1.7
108.05737	2.5
109.06509	1.4
109.10193	2.7
118.04163	1.2
118.37131	0.7
119.04961	1.1
119.08599	1.7
120.05707	1.3
121.06527	2.9
121.10146	2.2
122.07372	0.7
123.08043	1.0
123.11735	0.9
124.05185	0.9
129.07008	0.6
131.04893	1.2
131.08597	1.2
132.05701	0.6
133.06506	4.2
133.10207	0.6
134.07274	4.0
135.04417	5.7
135.08073	2.7
135.11760	1.1
136.05203	9.3
139.07552	0.6
142.07803	0.7
143.08572	1.3
145.10095	0.9
146.07254	0.7
147.08076	0.9
147.11691	1.1
150.05542	0.5
150.06769	21.2
151.07547	81.4
152.07913	0.9
157.10121	1.3
159.08107	2.5
165.09122	100.0
166.09471	1.3
169.33160	0.6
171.08081	3.2
173.09540	1.3
173.13202	0.5
177.09171	0.9
179.10672	8.2
185.09656	0.9
186.10413	9.5
187.07541	6.0
188.08353	0.9
189.09122	1.1
201.16397	0.5
202.07988	1.2
202.09889	23.6
203.10648	1.6
208.64728	0.5
217.12248	52.5
218.12851	0.7
264.41644	0.6
282.12476	0.7
285.00983	0.8
294.12646	0.5
305.11633	0.6
309.14148	0.7
312.13577	1.3
325.10757	0.7
326.14856	0.7
327.14822	1.0
337.32529	0.6
355.15430	1.2
355.19067	19.1
355.28491	3.2
355.34055	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1726
Annotation	His Ala Gln
Peak:m/z	Relative Intensity
60.29279	0.3
63.00565	0.3
63.51825	0.3
67.05505	0.4
69.07055	0.4
69.30458	3.3
72.84762	0.3
77.86174	0.3
79.05481	0.4
81.07023	0.3
90.71255	0.3
95.04987	0.4
95.08597	0.5
98.20747	0.5
103.05437	0.9
105.07045	0.7
109.10161	0.5
123.08043	0.3
131.04924	1.0
133.06474	0.5
147.04422	0.6
163.07556	1.5
166.67287	0.4
181.08662	0.5
193.08572	1.7
193.12033	0.8
194.96938	0.4
201.81299	0.4
203.05275	2.7
229.58116	0.4
238.00421	0.4
273.71048	0.4
291.10107	0.5
331.28351	0.4
355.17273	100.0
356.17673	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51766	0.2
53.62896	0.2
61.74535	0.2
69.03438	0.5
69.07089	0.4
69.42989	1.7
79.43286	0.2
81.03415	0.5
81.07059	0.6
91.05447	0.6
93.07030	0.4
95.04990	0.4
95.08606	0.5
100.65442	0.2
103.05480	0.6
104.26609	0.3
105.07034	1.1
107.04959	0.3
107.08603	0.4
109.10144	0.6
115.05476	0.4
119.08560	0.4
120.44714	0.3
121.06488	0.7
121.10138	0.3
124.07546	0.3
125.34032	0.3
131.04987	1.1
131.05823	0.2
133.06491	0.6
133.10143	0.3
137.05994	0.7
143.03172	0.3
151.07556	0.6
161.05989	0.7
163.07562	1.6
165.03459	0.2
167.07010	0.5
175.14819	0.3
181.08586	0.5
187.07637	0.3
193.08627	1.3
193.12029	1.0
201.05576	0.4
203.05275	2.2
225.46040	0.2
248.08275	0.4
323.12930	0.3
327.24738	0.4
355.17285	100.0
356.17587	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.7
56.76557	0.5
59.04985	1.9
69.03423	1.7
69.35751	0.6
70.04109	0.6
70.06581	2.0
70.33846	0.5
71.61232	0.8
73.04724	1.1
79.05500	0.7
79.45714	0.6
81.03410	1.0
81.07067	0.9
85.02895	1.8
86.09698	1.1
91.05788	2.2
95.01324	1.1
97.02909	1.5
99.04444	1.0
103.03949	0.9
105.07037	1.3
107.04948	1.6
107.08589	0.7
117.09081	0.6
124.07581	0.8
127.03922	2.1
130.91603	0.6
135.99060	0.6
137.05992	1.5
147.04445	1.0
149.05966	0.8
151.07573	0.7
162.05467	2.0
162.06750	0.8
179.08156	0.7
184.09267	0.6
193.04790	1.4
193.06293	1.8
193.08340	9.4
193.09962	0.7
201.05493	1.6
207.02847	0.8
221.19827	0.7
285.01022	1.0
291.09613	0.8
323.09045	0.8
323.12979	0.7
355.13638	100.0
356.16681	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.154
Annotation	Unknow
Peak:m/z	Relative Intensity
62.25463	0.8
69.03423	1.0
69.30502	0.7
70.22887	4.3
78.20592	0.9
79.05473	1.4
79.98570	1.0
81.07011	1.6
83.04961	0.8
83.28474	0.9
91.05458	1.8
94.04181	3.2
95.08643	0.8
103.05479	7.8
105.07018	2.6
107.04948	3.3
113.05559	0.9
115.05427	3.7
116.06234	1.3
117.07004	4.4
119.04912	0.8
121.06465	1.6
122.03659	6.0
131.04915	10.3
133.06473	2.4
137.05980	100.0
138.06274	0.9
139.13979	0.9
141.06995	1.5
143.04910	1.7
144.05711	2.8
145.06500	7.2
149.05981	1.8
151.07532	4.8
155.05984	1.2
157.86111	0.9
161.05975	5.5
163.07539	8.4
167.07054	15.3
169.06458	1.1
173.05991	6.7
175.07529	7.6
181.08586	2.4
187.07518	2.5
190.06227	2.1
190.59254	1.0
191.10612	1.2
193.04977	2.1
193.08562	8.0
199.07603	1.4
201.09105	3.6
203.08514	1.3
205.08611	30.5
219.08105	1.1
219.10114	2.1
219.94682	1.0
223.40546	1.0
231.08136	1.3
231.10208	3.6
235.07501	1.5
247.07495	1.3
247.79393	0.9
263.10632	2.4
279.40131	1.1
291.10162	2.6
295.09909	1.4
295.13379	2.0
305.11414	1.0
307.09470	1.0
323.09204	1.5
323.12729	9.8
337.14267	1.2
355.17587	31.2
356.17245	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	0.6
73.04746	2.0
85.02892	0.6
91.05793	2.0
93.07018	0.5
97.02881	0.6
98.97591	0.7
110.06055	0.6
133.02844	0.6
135.02707	0.5
151.03929	0.7
152.02496	0.6
153.01860	0.6
163.03929	1.9
165.01797	0.7
177.01680	2.4
179.03429	1.3
180.10185	0.5
185.04315	3.3
185.05731	0.5
191.03304	1.8
192.03943	15.2
193.01471	0.9
193.04741	8.8
195.02878	1.8
198.73753	0.5
205.01392	0.8
207.02895	6.4
207.04738	0.8
220.45821	0.5
235.02373	2.2
247.02502	2.5
253.03499	4.7
268.97849	1.0
285.00970	1.9
324.08099	2.5
325.08859	1.2
337.01895	0.7
345.99930	0.6
355.10031	100.0
356.10391	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1177
Annotation	Seitomycin
Peak:m/z	Relative Intensity
53.03938	4.4
55.01871	22.2
56.96548	5.1
59.79726	2.0
65.03936	3.3
67.05508	3.3
67.60106	1.9
69.42368	12.7
69.42779	4.7
77.03950	2.5
79.05485	14.4
81.03415	2.5
81.07074	3.6
81.77076	2.4
86.09018	2.2
91.05495	7.0
93.03396	3.7
93.07017	2.6
95.04973	4.8
95.08588	2.2
98.97578	4.1
102.04691	3.0
103.05488	11.7
105.03398	3.1
105.07041	2.8
111.04437	3.9
115.05484	5.7
117.03307	2.0
119.08576	4.0
121.10136	3.2
123.04448	5.1
130.04155	4.5
131.04909	4.6
135.04419	91.4
136.04793	3.7
137.06000	7.9
139.61681	2.1
143.04919	7.3
144.05698	3.2
145.02835	3.4
147.04492	3.0
149.02354	7.5
149.06029	4.2
151.03914	9.9
155.04906	5.4
159.04436	34.6
160.05190	9.3
161.06046	4.3
163.03909	45.8
163.07649	3.0
165.05537	3.4
165.07022	4.4
171.04422	2.1
172.05264	3.9
175.07585	6.5
177.05530	15.2
178.07848	2.8
179.08586	5.8
181.06488	3.3
183.04385	4.2
185.05989	3.0
187.07579	6.3
189.05383	3.8
189.06978	18.6
190.07802	14.4
191.07033	4.0
191.08560	20.4
193.04872	2.5
201.07008	2.8
202.07829	6.8
203.07030	6.6
203.08640	5.4
205.06483	8.1
206.07294	4.5
207.08057	8.4
208.08786	2.9
209.05956	2.8
215.07025	7.1
217.06523	9.2
218.07275	29.4
219.08072	34.5
220.08762	3.9
221.05957	2.9
222.06920	2.7
229.06415	15.3
231.08066	3.6
233.05986	3.2
233.09645	6.2
234.06770	8.5
235.07544	16.8
236.08299	7.8
237.25218	2.1
238.06287	2.5
245.06116	3.7
246.06784	21.5
247.07545	37.8
248.08315	8.5
249.09090	13.1
250.06393	2.7
251.07030	2.9
251.10745	4.5
257.06110	13.6
258.06668	5.1
259.07608	24.1
261.06262	2.2
261.09146	44.8
261.11877	2.8
262.06406	2.9
263.07083	10.6
264.07779	14.7
265.08542	10.5
270.55774	2.9
274.06204	10.0
275.07010	28.3
276.07861	10.2
277.08618	18.9
278.09485	2.2
279.10172	7.3
282.08734	2.8
285.00760	3.2
287.07056	13.9
288.07803	9.6
289.08560	31.9
291.06595	3.4
291.10080	6.4
292.07281	9.6
293.08051	7.9
294.08884	2.6
303.01450	2.9
304.07367	15.2
305.08249	12.8
305.11353	3.0
306.08844	4.1
307.09692	47.7
319.09665	100.0
325.10709	31.5
337.10712	32.5
355.11725	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	355.0637
Annotation	Phenolsulfonphthalein
Peak:m/z	Relative Intensity
55.01868	1.1
56.96556	2.6
57.19912	1.0
61.02928	1.7
69.03445	4.7
69.61015	6.4
70.17962	0.9
71.72073	1.1
73.02893	1.6
73.04723	1.6
80.67039	0.9
81.03419	3.4
85.02917	8.0
86.99339	1.0
91.05828	1.2
97.02894	10.1
98.97581	5.5
101.00883	9.2
103.00632	1.8
103.99064	1.0
105.00383	1.4
109.02815	1.4
113.00861	3.4
115.02510	2.2
116.98566	1.3
119.01950	9.2
119.64293	1.0
121.01649	1.4
127.02383	2.2
127.03931	3.4
131.01869	5.7
132.67778	1.1
134.29076	1.2
136.07593	1.3
139.02411	3.2
143.01897	2.5
145.03461	8.1
145.05061	1.1
153.01826	17.0
155.01877	9.0
157.03535	5.4
158.99716	1.4
160.22511	1.0
161.02939	2.9
163.02773	1.3
164.07068	12.0
167.01927	4.0
169.03494	1.3
173.01508	1.1
173.02878	5.3
174.98975	1.7
175.05048	12.7
181.03479	2.1
183.01393	2.0
185.02902	10.3
185.04225	51.0
191.01926	1.3
192.99799	1.8
193.01189	9.2
193.06084	7.7
197.03065	2.8
199.04535	1.7
203.04036	3.9
207.05132	2.6
209.02888	3.0
211.00883	30.3
211.02733	1.9
219.01578	1.2
221.03181	1.2
221.05075	3.9
223.04488	2.9
225.06328	1.8
227.04005	2.8
229.01884	12.2
233.03040	1.2
235.00801	5.5
235.04529	2.6
237.02516	2.9
239.04271	5.7
245.05099	3.2
247.00797	2.3
247.03008	14.9
249.02573	2.4
251.03973	1.4
253.01965	6.1
253.05386	1.1
261.02347	1.5
263.01477	1.1
263.04028	4.3
267.03494	1.9
269.05200	2.3
271.00760	1.1
271.03049	8.7
277.01886	2.2
277.08154	1.4
279.03442	2.2
283.06552	3.2
285.04489	1.4
287.06140	2.0
289.01764	1.6
295.02899	5.1
297.04590	2.4
307.03058	8.4
309.04419	1.2
311.06168	9.6
313.04004	3.0
325.03986	3.2
333.33948	1.3
337.04178	8.8
337.10287	4.2
343.05142	1.7
355.05606	100.0
356.05957	1.5
373.06216	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89275	1.1
53.03952	3.2
55.01869	1.3
55.05508	11.7
57.03429	4.6
57.07067	4.1
65.03938	2.6
67.05507	84.2
69.07066	11.6
71.04986	2.9
73.80611	1.2
77.88313	1.2
79.05494	44.7
81.07059	92.2
83.08643	7.4
85.06538	2.1
91.05482	24.9
93.03374	1.2
93.07048	61.8
95.04984	2.5
95.08610	62.7
97.06528	3.2
97.10171	2.2
97.80390	1.2
98.21482	3.2
99.08082	2.8
105.07040	17.8
107.08594	35.3
109.06543	1.4
109.09441	2.1
109.10157	31.4
111.08116	1.3
113.09657	1.2
117.07030	9.5
119.08589	13.6
121.10144	32.8
123.11716	17.0
125.09628	1.2
131.08565	21.9
133.10129	12.6
135.11694	27.3
137.09599	1.3
137.13278	7.8
145.10121	16.9
147.11688	12.4
149.09621	1.5
149.13269	18.6
151.14835	1.7
153.12744	1.5
158.47919	1.0
159.11693	14.6
161.13268	8.8
163.14824	13.0
173.13277	17.6
175.14822	2.7
177.16342	3.0
179.14200	2.1
187.14833	11.2
201.16438	3.3
205.15938	1.9
229.03506	1.4
233.22643	4.9
243.21085	20.8
261.22147	100.0
262.22574	3.2
279.23199	2.4
281.10660	2.8
335.25818	5.2
353.26868	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	354.1183
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
52.74095	0.4
53.03924	0.6
57.03431	0.5
57.66307	0.4
61.02906	0.7
64.97273	0.3
66.96993	0.4
67.05495	1.3
69.03410	1.2
70.91108	0.6
70.91454	0.6
73.02883	0.7
78.46119	0.4
80.37039	0.4
81.03403	0.5
85.02909	2.9
87.04479	0.5
91.05466	2.7
94.06560	4.0
95.04974	0.7
97.02869	0.7
98.21410	0.4
100.73782	0.4
105.03333	0.5
109.02848	0.4
117.05759	0.7
118.06541	6.6
119.04945	0.5
120.08064	0.4
122.06038	5.1
127.03889	0.7
134.06010	1.0
145.04964	0.6
146.06017	17.8
146.72714	0.5
147.06718	0.7
150.05560	0.9
160.05005	0.4
162.05524	1.1
164.07068	6.7
174.05508	100.0
175.06094	0.7
176.07045	0.7
192.06552	55.2
193.06972	0.7
308.44437	0.5
336.10709	1.6
336.52509	0.6
354.11841	44.2
355.12186	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
51.02380	0.7
53.03949	2.3
55.05509	12.9
57.03437	6.3
57.07078	3.8
65.03951	3.3
67.05506	91.6
69.07063	13.5
71.04995	2.0
71.08623	1.4
75.04477	1.3
77.03920	1.0
77.39565	0.7
79.05494	41.2
81.07057	100.0
83.04982	1.2
83.08620	8.6
85.06546	2.2
91.05482	19.6
91.06059	1.1
93.07044	55.8
95.04960	2.8
95.08607	70.7
96.08979	0.7
97.06532	2.5
97.10172	3.7
98.20746	1.3
99.08113	1.4
105.07034	17.1
107.08596	34.4
108.08902	0.6
109.06512	1.3
109.10155	36.1
111.08071	1.2
111.11725	0.9
113.09665	1.4
113.70219	0.6
117.07018	8.1
119.08576	15.2
119.09437	0.8
121.10145	32.0
123.08086	1.6
123.11708	20.5
125.09641	1.0
129.07053	0.7
131.08569	19.3
133.10136	12.8
135.11697	26.0
137.09575	1.5
137.13254	8.1
139.11229	0.9
145.10129	14.3
147.11687	9.8
149.13258	19.2
151.11191	1.1
151.14807	2.2
153.12721	1.8
159.11682	11.1
161.13281	8.8
163.11182	0.9
163.14824	13.5
165.12740	1.4
173.13264	15.7
175.14809	2.5
177.12752	1.7
177.16383	3.8
179.14227	0.9
186.80402	0.7
187.14830	8.6
189.16333	0.7
191.14357	1.2
194.19135	0.6
195.13930	0.7
201.16386	2.2
205.15953	1.8
215.17931	1.1
219.17451	1.0
227.16191	0.7
233.22627	3.9
243.21088	19.8
244.21414	0.7
261.22144	85.4
262.22418	2.3
263.23691	1.0
279.23212	6.4
317.24741	1.1
335.25751	9.2
353.26846	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2684
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05509	13.8
57.03429	6.2
57.07069	5.3
64.57983	2.6
65.03915	2.8
67.05505	93.8
69.07059	15.4
70.49181	2.4
71.62341	3.8
79.05495	41.5
81.07058	100.0
83.08598	8.2
85.06558	4.5
90.77988	2.9
91.05476	22.9
93.06474	3.4
93.07053	58.4
95.04987	4.0
95.08612	71.8
97.06506	2.9
97.10124	4.2
99.08134	3.0
105.07032	18.9
107.08595	36.4
109.10159	35.1
117.07027	6.2
119.08607	14.3
121.06535	3.9
121.10155	29.1
123.11711	15.9
131.08575	16.7
133.10120	12.0
135.04410	3.6
135.11684	30.1
137.13264	6.2
145.10117	11.5
147.11699	11.8
149.09607	3.3
149.13297	14.7
159.11623	13.4
161.13251	10.5
163.14799	9.6
173.13203	12.7
175.14758	5.5
177.16296	5.1
187.14832	9.2
201.16418	4.4
243.21225	17.4
261.22144	73.8
279.23166	6.5
335.25781	11.6
353.19083	6.1
353.26926	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03949	2.2
55.05520	13.5
57.03433	5.8
57.07067	6.4
65.03929	2.2
67.05505	100.0
67.89919	2.3
69.07082	12.5
69.64593	5.2
69.65001	9.2
79.05495	42.7
81.07062	90.9
83.08619	6.8
86.45734	2.1
88.95746	2.0
91.05470	15.4
93.07050	47.2
95.04958	3.3
95.08037	4.4
95.08610	60.8
97.06495	3.4
97.10139	3.5
105.07045	11.3
107.08586	31.9
109.10160	31.4
113.94047	2.1
117.07030	7.7
119.08574	13.4
121.10133	27.0
123.11683	15.7
131.08568	16.9
133.10153	10.7
135.11710	17.3
137.09634	2.7
137.13261	9.1
137.15123	2.1
145.10161	14.9
147.11684	8.9
149.13275	13.3
159.11687	11.6
161.13243	4.8
163.14792	10.2
166.09552	2.2
173.13269	12.6
175.14809	4.0
177.16472	3.2
179.33174	2.2
187.14804	6.1
233.22534	2.9
243.21091	18.2
249.80763	2.0
261.22144	70.0
266.19925	2.0
271.43869	2.2
279.23224	4.5
300.99274	2.1
335.25684	7.5
353.26971	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	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.01860	1.7
55.05511	16.3
57.03418	4.9
57.07068	5.1
65.03934	4.0
67.05508	95.2
69.07072	13.2
70.73191	2.1
70.73521	1.3
71.04993	2.4
71.08618	2.5
72.35370	1.1
73.35540	1.0
75.04494	1.0
78.22900	1.1
79.05497	46.7
81.07059	99.0
82.07411	1.1
83.04967	1.5
83.08652	6.7
85.06545	3.4
91.05480	23.4
93.07046	62.5
95.04976	2.9
95.08609	74.9
97.06519	3.4
97.10146	3.6
99.08079	3.3
100.43759	1.1
105.07038	23.5
107.08600	38.8
109.06514	2.8
109.10154	40.7
113.09679	2.0
117.07008	9.4
119.08588	15.6
121.09304	2.1
121.10148	36.9
123.08112	1.7
123.11721	18.9
129.06975	1.2
131.08571	23.0
133.10147	16.8
135.04420	2.3
135.10675	1.7
135.11696	28.2
136.94887	1.2
137.09615	2.1
137.13268	7.6
139.11148	1.4
145.10143	18.6
147.11693	13.7
149.09656	1.3
149.13260	23.7
151.14771	1.7
159.11714	15.3
161.13264	10.7
163.14848	13.5
165.12706	2.9
165.71091	1.2
173.13272	16.9
175.14838	4.6
177.16391	5.8
179.14360	1.8
187.14812	12.3
201.16393	2.9
205.16013	1.5
215.18031	1.5
233.22659	4.0
243.21091	25.8
261.22153	100.0
262.22574	2.4
267.86151	1.2
279.23163	2.6
291.23193	2.6
307.24255	1.8
335.25964	8.5
346.18365	1.3
353.26984	27.2
364.36145	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86319	0.9
52.18981	0.8
55.05510	0.8
56.96569	0.9
57.42443	0.9
67.05495	0.8
69.03431	2.0
69.07056	1.7
70.00401	4.4
79.05470	1.8
81.03443	1.0
81.07051	3.0
91.05465	2.0
93.07046	3.1
95.08620	1.6
105.06999	2.9
107.04964	2.1
107.08596	2.1
109.02885	0.9
109.10168	0.8
119.08582	2.1
121.06519	1.0
121.10169	2.0
131.08563	1.1
133.10149	2.8
134.94464	0.9
135.04343	0.9
139.71103	0.8
143.08504	0.9
145.10205	2.2
147.11725	2.1
149.02377	2.0
149.09523	0.9
151.03938	0.8
152.49411	0.8
161.13387	0.9
163.11208	1.9
167.07050	1.7
185.04218	47.4
191.07114	0.8
191.10460	15.8
203.05251	1.5
247.89444	0.9
261.09283	1.2
293.11835	1.0
321.11246	1.7
325.11734	1.5
335.22488	0.8
353.15735	100.0
354.16187	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	4.9
62.87144	3.2
67.05505	29.1
69.03418	3.7
69.07067	8.9
70.80458	7.6
71.04993	51.2
79.05499	7.4
81.03399	3.3
81.07057	74.7
85.02904	5.7
85.06535	21.5
91.52167	2.6
95.08612	61.9
107.08577	3.1
109.10162	10.1
131.08577	4.1
137.13245	17.5
143.09720	2.6
149.09647	3.8
155.14307	100.0
171.61397	3.2
173.09662	3.6
173.15369	32.8
191.06848	4.8
191.10745	3.7
191.16434	21.6
353.08289	4.8
353.13467	4.0
353.21036	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.5
53.03946	2.0
54.10869	0.5
55.01863	0.8
55.05251	1.0
55.05510	14.1
56.07635	0.4
56.96583	0.5
57.03440	5.8
57.07076	3.8
61.57373	0.4
63.62428	0.4
65.03944	2.6
67.05505	94.0
68.05808	0.5
69.03436	0.5
69.07067	13.4
70.22255	2.1
70.64431	0.4
71.04993	2.5
71.08628	1.9
75.04489	1.8
77.03958	0.5
79.05494	43.8
81.07056	100.0
82.07404	0.7
82.14112	0.4
83.04974	1.4
83.08619	7.3
85.06118	0.5
85.06535	2.3
85.10194	0.6
91.05484	22.2
92.07135	0.5
93.07047	55.4
95.04985	3.5
95.08606	72.8
95.13548	0.5
97.06519	3.4
97.10172	3.5
99.08098	2.4
103.84288	0.5
105.04540	0.5
105.06474	0.3
105.07034	17.8
107.08597	37.1
109.06528	1.3
109.10157	38.2
111.08083	1.5
111.11707	1.0
113.09660	1.3
117.07011	9.6
119.08585	15.1
121.10146	27.1
122.06049	0.9
123.08131	1.6
123.11710	18.9
125.09645	1.4
127.11168	0.7
129.07025	0.6
130.07838	0.9
131.08571	19.8
133.10126	12.1
135.04442	2.5
135.08165	0.6
135.11697	25.0
137.09650	1.4
137.13258	7.4
139.11177	1.1
143.08600	0.7
145.10124	13.6
147.11693	8.9
149.09648	0.8
149.13266	19.8
151.11186	1.3
151.14832	2.1
153.12761	1.2
159.11690	14.3
159.13028	0.9
161.13272	7.7
163.11229	1.3
163.14813	10.1
165.12779	1.3
165.16486	0.5
167.14340	0.6
171.11827	0.6
173.13268	14.6
175.14821	2.7
177.12767	1.0
177.16380	3.7
179.14325	1.5
185.13354	0.6
187.14816	8.7
189.16458	0.7
191.14349	0.6
201.16367	3.0
205.15930	1.7
206.56708	0.5
215.18086	0.5
217.19667	0.6
219.17445	0.7
223.16995	0.8
233.19090	1.4
233.22646	3.3
243.21074	19.4
261.22144	76.3
262.22534	1.8
263.23697	1.0
279.23181	5.2
317.24792	0.6
335.25809	9.8
353.10239	1.4
353.26923	16.6
353.31403	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1019
Annotation	Rubiginone D2
Peak:m/z	Relative Intensity
51.02394	1.1
52.07382	0.4
53.03952	2.7
55.63373	0.3
62.46670	0.4
67.05513	0.6
67.96147	0.4
69.73488	0.4
69.75054	0.4
69.79305	2.1
73.26622	0.3
77.03904	2.0
79.05490	8.4
81.03410	0.6
81.07052	0.5
84.57291	0.3
89.03932	0.4
93.07008	0.4
95.04986	2.3
103.05466	1.6
105.03381	2.6
105.04486	1.0
107.04991	0.6
115.05467	2.5
116.51933	0.5
131.04942	2.7
135.04414	66.8
143.04944	1.8
147.04408	6.1
149.02335	2.8
159.04422	3.5
160.05196	0.7
161.05991	3.8
163.03902	100.0
164.04280	0.6
173.05960	5.6
175.03918	9.5
185.05984	1.6
191.08566	3.2
201.05447	6.7
201.07129	0.6
203.08482	0.8
209.06140	0.4
213.05428	1.2
217.06505	0.4
219.08031	6.4
247.07509	2.9
249.09131	5.3
259.07550	7.0
259.10211	0.5
260.08279	0.5
262.06320	0.8
275.07062	1.2
277.08597	6.7
287.06985	3.2
289.08704	0.4
305.07950	3.0
306.08902	0.4
307.06161	0.9
307.09613	10.6
316.07092	1.0
317.08096	20.6
320.06732	0.4
335.09137	31.6
336.09192	0.6
353.10095	3.7
353.22961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1017
Annotation	Rubiginone D2
Peak:m/z	Relative Intensity
51.02377	0.9
53.03935	1.7
55.05510	0.6
71.50549	0.7
77.03931	1.4
79.05492	9.5
80.87701	0.5
81.03387	0.6
85.89970	0.5
95.04964	1.8
103.05468	2.1
105.03406	2.6
105.04507	1.4
115.05484	2.8
115.52647	0.5
117.07027	1.0
131.04932	2.1
135.04419	69.1
136.04727	0.6
143.04918	1.4
147.04399	5.3
149.02356	3.7
155.04948	0.6
159.04416	2.2
161.05962	4.3
163.03909	100.0
164.04201	0.9
164.80846	0.6
173.05991	5.6
175.03894	9.1
185.05927	1.2
189.07162	0.7
191.08507	3.0
201.05475	6.7
203.08505	0.9
219.08018	5.5
229.06735	0.6
231.08075	0.7
234.07011	0.6
235.07457	0.6
247.07631	4.0
249.09103	4.7
259.07550	7.6
262.06406	1.3
263.06970	0.7
275.07101	1.1
277.08569	5.6
287.07004	2.2
305.08063	3.2
305.10950	0.6
307.06165	1.3
307.09579	10.6
316.07361	1.5
317.08115	18.6
335.09171	27.0
353.10043	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	353.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94830	1.1
56.96572	11.0
57.03440	3.6
59.04041	1.2
61.02922	5.5
64.31375	1.1
69.03429	9.3
69.90470	5.9
70.06602	1.8
70.98102	1.5
70.99852	2.0
73.02913	10.4
77.00920	1.2
81.03411	3.9
82.99834	3.2
84.08138	1.5
84.96041	2.8
85.02904	13.2
85.71892	1.1
86.90794	1.2
91.03992	1.5
96.15005	1.3
97.02898	7.4
98.97586	19.1
99.04443	1.3
100.99130	1.9
101.00880	52.8
109.02904	2.0
110.01267	1.4
110.97568	6.4
112.99162	2.1
113.00858	1.5
115.02426	5.4
116.98622	5.6
119.01917	63.3
126.02504	1.2
127.02455	7.2
127.03948	4.3
128.98613	3.8
131.01910	3.9
133.03496	7.1
137.02989	4.3
139.02420	9.5
140.02299	1.3
140.98570	1.4
143.00177	3.4
143.01897	24.0
144.98163	2.6
145.03453	11.5
145.04784	1.6
146.02277	2.5
146.99622	1.6
147.03189	2.0
153.01845	22.2
153.03043	2.7
154.02104	1.7
155.01825	2.5
155.02911	1.9
157.03468	49.9
158.99677	5.1
161.01353	2.4
161.02940	21.7
162.05496	2.3
162.95363	2.9
163.02664	1.7
163.04520	10.4
163.05751	2.1
169.03537	3.5
170.03401	4.6
170.99660	4.6
173.01230	1.5
173.02959	2.3
175.04544	21.5
177.00749	3.5
179.02367	1.5
181.05650	2.6
182.03294	5.9
187.04530	3.5
189.02380	1.7
190.05032	3.0
190.98634	1.4
191.02336	2.2
191.03877	7.8
191.05426	2.7
200.04469	4.5
201.00798	3.3
203.04167	1.5
205.05588	27.0
209.03326	1.7
219.01805	5.6
222.97571	2.6
223.01263	3.1
223.06638	100.0
231.03505	3.1
233.03423	4.2
237.02937	1.6
239.04431	3.5
241.02234	1.8
241.07693	17.1
242.05489	4.8
245.05225	1.9
246.08298	2.2
247.06732	2.0
249.08270	9.7
254.20686	1.3
261.02765	2.4
263.06009	5.5
265.07687	36.7
272.06549	40.1
272.56760	6.8
275.06171	1.5
277.07706	63.0
286.16968	1.4
292.57846	1.8
293.07346	3.7
303.05515	1.4
321.06665	26.9
335.02841	1.2
335.04187	1.6
335.08298	16.2
335.11835	2.4
347.08374	1.5
353.09277	51.8
353.13644	2.8
353.17722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22244	15.7
67.05502	17.7
69.03415	40.4
69.49586	40.9
69.49997	100.0
71.05006	40.0
77.84995	17.0
81.07030	26.9
85.02908	39.9
91.05445	30.1
95.08604	27.8
98.20757	41.7
105.26100	15.6
109.10152	22.0
119.06035	15.3
123.11713	20.5
124.11238	30.6
124.12046	32.6
127.11205	71.8
131.66525	18.6
132.08986	16.4
140.79596	17.2
145.12228	37.4
182.47411	18.4
190.08664	24.9
201.07980	16.7
205.35385	17.6
334.17255	24.4
345.90900	19.7
352.13940	26.2
352.17923	90.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44668	2.3
55.05478	3.2
57.07071	12.2
59.04997	5.7
60.02737	2.5
63.84103	2.3
67.05507	2.7
69.03421	3.0
69.07071	3.9
69.49976	23.3
78.36257	3.0
81.07077	7.2
85.02911	8.6
88.78692	3.0
89.54894	2.3
93.07041	3.4
95.08613	8.3
96.37529	2.8
97.10181	4.7
98.20815	7.0
98.97549	2.5
105.06954	2.8
121.10191	3.1
123.15849	2.7
127.03897	3.5
133.06487	5.6
133.10068	3.2
137.13274	25.9
145.07532	3.1
155.13045	4.9
155.14316	100.0
173.15430	19.7
180.35661	2.8
191.08153	7.3
192.08464	2.9
193.08850	3.9
223.50275	2.5
301.14139	2.6
309.13361	2.9
312.46216	2.8
330.83127	2.7
352.13477	9.8
353.15692	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	353.0844
Annotation	4-Methylumbelliferyl beta-D-glucuronide
Peak:m/z	Relative Intensity
69.25471	3.4
69.33495	18.6
69.33911	12.7
73.98808	3.1
78.37537	3.4
82.46567	3.3
145.47681	3.3
161.03014	3.3
162.43820	3.9
170.16917	3.6
175.17601	3.1
209.03111	3.4
273.33929	3.7
275.06174	4.1
353.08472	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.0
55.05511	20.6
57.03427	8.8
65.03924	4.5
67.05505	57.9
69.07072	17.5
70.93842	8.3
71.04968	4.0
71.08614	3.4
79.05495	66.1
81.07051	59.0
83.08617	14.1
85.06548	3.9
88.76921	3.4
91.05480	55.6
93.07040	90.3
95.04979	4.4
95.08607	47.1
97.06490	5.1
97.10137	5.3
98.21352	4.5
98.97562	3.1
98.98415	3.6
99.08108	5.4
105.07031	57.0
106.07325	3.4
107.08593	56.1
109.10165	21.1
113.09626	4.6
115.86511	3.0
117.06993	8.9
119.07787	4.0
119.08585	60.7
121.10143	41.9
123.08043	4.7
123.11723	5.3
129.06979	6.5
131.08540	18.7
133.10133	51.2
135.11699	44.4
137.13200	5.4
143.08565	12.6
145.10147	21.2
147.04388	4.3
147.11679	52.6
149.13257	30.2
157.10094	7.6
159.11723	20.1
161.09665	5.1
161.13251	37.7
162.86029	3.5
163.14816	5.3
166.73645	3.1
171.11694	14.8
173.13269	11.5
175.11212	4.1
175.14856	18.3
177.12668	3.8
185.13239	12.7
187.14833	6.1
189.12787	3.9
199.14844	9.2
213.16444	4.9
231.17534	3.4
231.21114	7.7
241.19489	32.2
259.20590	100.0
269.10590	7.2
270.10727	5.4
277.21603	13.3
333.24182	14.0
351.25378	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	351.2532
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88044	3.5
53.03945	8.9
55.01870	6.4
55.05510	23.0
56.96555	10.7
57.03449	21.8
65.03945	8.6
67.05506	89.2
69.03423	3.8
69.07083	18.9
71.04993	16.2
71.21465	7.7
75.96639	3.6
79.05497	100.0
81.07061	92.9
82.86517	3.6
83.04980	4.6
83.08617	8.1
91.05489	70.8
93.07053	89.8
95.04978	13.3
95.08605	61.7
97.02903	4.3
98.97572	6.7
99.08113	4.7
105.07026	44.2
107.08600	49.9
109.06480	4.9
109.10190	21.6
116.98646	3.9
117.07033	11.0
119.08588	31.6
121.10154	41.8
123.11698	6.1
129.07033	4.6
131.00102	3.7
131.08546	16.7
133.10127	29.6
135.04442	9.8
135.11684	30.0
137.05995	7.7
137.09628	4.4
143.08565	8.0
145.10121	14.6
147.03117	4.1
147.11697	15.0
149.01268	3.7
149.02348	13.5
149.13290	10.9
154.09627	3.6
157.10112	6.2
159.11671	7.3
161.09659	6.6
161.13257	6.5
163.11252	4.4
163.14737	3.7
169.10027	4.5
171.11807	7.6
175.14882	4.5
181.10254	3.9
187.14822	4.3
201.05490	7.9
259.20523	17.3
265.08298	3.8
269.10617	8.3
270.13190	5.5
276.07745	7.2
319.09750	18.8
321.07617	4.5
351.08676	4.6
351.12192	6.7
351.15793	9.1
351.25656	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	351.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	1.4
57.03431	0.6
58.06601	0.6
63.02384	0.6
66.39056	0.5
69.03412	1.0
70.06582	1.4
71.61235	1.1
72.08157	10.0
73.02876	0.6
75.91313	0.4
81.07051	1.7
83.08611	2.3
84.04485	1.4
84.08142	1.6
85.02898	1.3
89.03916	6.3
91.05466	1.3
95.38887	0.5
105.07035	0.7
110.85491	0.7
115.12314	1.2
117.03385	22.1
119.08563	1.0
121.06583	0.5
127.03947	0.6
130.08643	0.7
134.03667	0.8
135.04427	1.1
135.08098	0.5
145.02849	68.9
147.08038	1.1
149.05984	7.7
153.01802	0.8
158.11761	6.8
167.97743	0.6
175.14429	10.3
177.05472	100.0
185.04276	1.2
189.05225	2.6
189.12698	0.9
195.42342	0.7
201.12428	1.7
205.08885	0.7
234.11253	37.2
248.12822	12.1
291.17053	14.7
333.17365	0.5
345.76315	0.6
351.10428	8.6
351.19159	51.1
352.19907	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00581	0.6
55.05499	1.4
60.40475	0.6
67.47709	0.6
69.07085	0.7
69.27547	1.8
69.27966	3.3
70.06593	2.7
72.08156	13.9
81.07047	1.5
83.08592	1.8
84.04509	1.2
84.08127	1.4
86.09718	0.5
86.77074	0.5
89.02283	0.6
89.03917	5.6
91.05470	1.3
93.07000	0.8
93.25719	0.5
95.01328	0.7
97.02865	0.8
98.20771	1.2
104.07089	0.8
115.12321	1.2
117.03375	22.4
119.08596	0.6
124.11214	0.6
127.03948	1.1
134.03613	1.2
135.04395	1.0
135.08069	0.6
138.92644	0.6
145.02843	70.9
149.05980	7.8
153.01797	1.6
154.09523	0.7
158.11769	6.4
163.03862	0.8
172.10480	0.8
175.14426	11.7
177.05466	100.0
189.05284	2.8
201.12357	1.9
205.08945	1.1
222.11450	1.2
234.11249	6.5
248.12807	17.5
291.17038	20.7
351.10522	9.2
351.19150	45.3
352.19498	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73757	3.8
70.20315	11.2
71.33429	3.1
75.60314	2.9
82.63076	3.0
92.30952	3.2
99.33376	3.7
101.00909	17.1
109.63000	2.8
119.01910	11.2
131.01915	3.6
143.01921	7.9
145.03477	6.0
157.03494	10.4
199.08388	3.2
220.29625	3.6
223.06696	18.9
231.03462	4.6
241.07605	3.4
291.05499	5.7
319.05225	15.0
351.06897	100.0
351.11569	4.4
354.43964	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	351.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33916	2.7
69.88541	16.8
69.88918	6.5
91.09560	3.0
107.67133	3.0
118.97977	3.4
125.80672	3.1
141.20868	2.7
146.86217	4.4
198.70798	3.2
286.31903	3.5
308.05167	3.4
351.06921	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1801
Annotation	Melicopol
Peak:m/z	Relative Intensity
53.03942	10.4
55.01863	7.4
55.05512	3.9
57.03424	5.4
59.04987	4.0
67.05509	13.0
69.03432	56.4
69.07061	3.2
70.06592	4.3
70.87110	1.5
71.01345	2.6
71.04996	5.0
71.61079	2.1
72.08146	3.7
73.02902	4.8
79.05488	6.8
81.03419	18.5
81.07063	16.3
82.97597	1.5
83.01327	7.9
83.04971	6.3
84.08142	6.9
85.02905	57.3
85.06531	6.6
88.42737	1.6
91.05492	13.5
93.07063	10.4
94.32632	1.9
95.04977	6.5
95.08617	16.1
97.02901	34.3
97.06492	2.3
99.04472	17.0
101.04229	6.9
101.05978	1.8
101.46978	1.7
102.70235	1.8
105.07034	34.3
107.04970	3.5
107.08604	9.7
109.02888	16.8
109.06502	9.6
109.10161	41.2
111.04450	8.5
111.08068	1.8
113.02335	1.8
113.06008	2.0
117.03384	4.9
117.07041	3.6
119.05006	2.0
119.07780	2.3
119.08591	34.7
121.06521	4.5
121.10162	16.1
123.04442	2.5
123.08080	9.6
123.11711	44.5
124.07590	1.9
125.05999	27.0
125.09624	2.6
127.03925	39.0
128.06219	2.6
129.06984	3.2
131.08597	10.5
133.06503	6.4
133.10138	9.2
135.08037	3.5
137.05960	3.7
137.09627	4.6
139.07593	4.8
141.06940	3.0
143.08583	5.5
145.02847	16.5
145.04956	9.0
145.10136	16.5
147.08047	13.6
147.09123	3.1
147.11694	39.9
148.09781	2.2
149.05969	2.5
149.09630	28.7
151.07552	19.7
156.09357	8.7
157.10161	1.8
159.08044	5.8
159.09230	1.9
159.11644	3.7
160.08870	2.7
161.09637	4.4
161.13300	8.6
163.11150	4.2
165.12816	3.0
167.10728	3.4
169.08633	1.9
171.11659	10.3
173.09647	2.7
174.10359	9.0
175.08698	3.9
175.11189	3.5
177.04080	3.9
177.05478	20.0
187.06079	2.6
187.11143	4.2
187.15199	3.0
189.12766	47.9
189.15497	2.1
201.12794	4.0
207.13812	51.9
213.12714	2.2
225.14925	2.9
231.13788	3.1
234.11313	6.4
248.12726	2.6
251.09088	10.8
255.13971	2.4
273.14905	4.8
274.10638	3.3
277.10709	5.1
288.11041	2.8
291.13370	17.8
291.16409	2.7
308.16064	6.6
315.16022	3.6
333.16980	46.2
333.20688	3.2
351.18091	100.0
352.12518	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	351.1803
Annotation	Melicopol
Peak:m/z	Relative Intensity
53.03949	9.2
55.01863	6.8
55.05499	6.1
57.03419	6.3
57.07066	2.7
59.04977	3.0
61.02927	3.3
66.82714	1.4
66.83109	1.5
67.05515	10.9
67.25286	1.6
69.03068	3.1
69.03432	61.1
69.07062	3.3
70.06577	3.0
71.01345	3.1
71.05008	10.7
71.05333	2.2
71.08892	1.6
71.60728	2.9
72.08143	2.6
73.02906	2.6
74.37751	1.6
78.58247	1.6
79.05493	7.0
81.03423	18.0
81.07056	17.9
83.01341	6.5
83.04989	8.8
84.08144	6.3
85.02905	59.6
85.06540	5.4
87.04482	2.1
91.05472	12.8
93.07047	9.0
95.04965	9.3
95.08620	16.0
97.02895	36.9
97.06525	4.1
99.00818	1.9
99.04454	21.5
101.04234	4.6
102.09182	2.0
105.07027	35.6
107.08595	12.7
109.02882	15.1
109.06539	13.6
109.10151	40.3
109.10897	2.0
111.04430	10.2
111.08062	2.2
115.05475	2.4
117.07022	5.0
119.04936	3.6
119.08586	38.6
121.06515	5.7
121.10126	15.9
123.08068	12.6
123.11709	48.5
125.05995	29.1
127.03926	36.9
128.06201	3.2
129.07004	3.5
130.07762	2.6
131.08574	11.0
133.06514	7.0
133.10104	10.8
135.08057	3.4
135.11740	2.7
137.09648	5.7
139.07530	6.5
140.07112	2.7
143.08597	6.8
145.02852	9.5
145.04962	8.8
145.06427	3.1
145.10107	17.3
147.08040	14.1
147.09189	4.1
147.11693	36.2
149.06076	4.2
149.09608	27.8
151.07541	18.4
151.11063	2.3
156.09328	8.4
157.10017	1.6
159.08049	4.1
159.11678	4.2
160.08792	1.8
161.09622	5.9
161.13281	10.5
163.11183	5.6
165.09171	1.9
165.12744	2.2
167.10667	5.4
171.11673	11.9
172.08855	2.7
173.09613	4.0
173.13300	2.9
174.10381	9.3
175.08667	4.6
175.11136	2.9
175.14479	3.0
177.04095	2.3
177.05476	16.8
179.14273	2.3
187.11156	5.5
189.12750	59.5
201.12703	3.0
205.12083	2.0
207.13791	57.4
225.12692	2.7
225.14819	3.9
229.12227	3.4
231.13710	2.7
234.11191	3.8
237.07761	2.4
251.09171	5.9
255.13821	2.5
269.10266	2.4
273.14755	3.1
277.10696	4.8
288.10892	2.2
291.13394	16.0
291.16397	2.9
308.16092	6.0
315.15869	4.4
319.12485	2.1
333.16995	44.5
334.11462	2.5
347.93796	1.8
351.18054	100.0
352.12628	3.6
352.17850	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21309	2.3
55.05523	12.7
67.05493	7.6
68.09708	2.6
69.03421	5.4
69.07052	4.1
71.04989	7.2
71.60816	4.6
72.48581	2.4
79.05490	8.7
81.03405	4.9
81.07059	25.3
83.08614	13.5
85.02901	18.9
85.04160	2.8
86.09703	7.6
91.05466	5.4
93.07053	50.3
95.08607	27.5
97.06530	18.0
101.09650	4.1
105.07029	3.3
107.08601	64.0
109.10162	36.5
120.08080	3.5
122.02740	3.0
123.11701	15.7
127.03929	3.5
135.11700	100.0
145.04984	3.7
153.12749	46.7
171.13806	46.4
193.12233	4.8
194.77524	2.4
211.13304	11.3
242.13708	2.6
350.15363	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	350.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21309	2.3
55.05523	12.7
67.05493	7.6
68.09708	2.6
69.03421	5.4
69.07052	4.1
71.04989	7.2
71.60816	4.6
72.48581	2.4
79.05490	8.7
81.03405	4.9
81.07059	25.3
83.08614	13.5
85.02901	18.9
85.04160	2.8
86.09703	7.6
91.05466	5.4
93.07053	50.3
95.08607	27.5
97.06530	18.0
101.09650	4.1
105.07029	3.3
107.08601	64.0
109.10162	36.5
120.08080	3.5
122.02740	3.0
123.11701	15.7
127.03929	3.5
135.11700	100.0
145.04984	3.7
153.12749	46.7
171.13806	46.4
193.12233	4.8
194.77524	2.4
211.13304	11.3
242.13708	2.6
350.15363	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	350.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04515	36.1
67.05484	14.3
69.03435	18.2
69.07075	7.6
71.04977	14.6
71.60973	9.2
71.61357	10.2
73.52489	7.1
79.05476	13.6
81.07052	47.0
83.56058	8.4
85.02896	9.3
91.05481	13.7
93.07041	19.6
105.07037	16.7
105.26037	8.5
107.08592	11.1
112.60962	7.6
118.06505	8.2
119.08627	8.1
133.10132	16.8
135.11659	15.4
140.01195	7.7
143.90775	8.3
145.07713	13.0
147.04370	16.0
147.09203	14.0
150.40950	7.8
153.12747	100.0
160.07576	10.5
161.09599	8.6
191.08157	66.1
256.04889	9.0
307.12869	22.2
350.13538	28.4
350.23694	27.6
350.29019	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	350.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65909	2.7
53.70763	2.7
55.05494	5.7
55.25480	2.7
56.96554	4.5
60.04525	15.4
65.03940	7.0
65.22086	2.8
67.05477	4.4
69.03423	10.1
70.06596	4.4
70.47050	10.0
70.47420	5.1
71.04996	18.1
72.08166	3.4
75.06851	3.2
81.03427	5.8
83.04981	4.0
84.04490	3.5
84.87839	2.8
85.02908	22.9
91.03967	3.9
93.03409	4.0
95.08616	7.2
97.02853	9.3
98.97568	5.9
100.07626	6.7
102.09218	2.8
109.02840	5.1
110.06038	7.4
111.04442	27.6
111.08096	28.6
121.04021	4.0
122.07127	3.5
123.14208	3.6
124.11205	3.9
127.03920	8.7
128.07068	10.0
129.09116	8.6
139.03908	74.6
142.12222	5.3
145.04967	4.6
153.01834	22.5
170.11757	9.6
171.06528	100.0
171.08018	5.0
188.03798	4.8
188.11087	4.6
188.12816	80.6
209.59518	3.3
303.01413	3.8
342.75964	3.4
344.80869	3.3
350.15683	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	350.1348
Annotation	MITOMYCIN B
Peak:m/z	Relative Intensity
53.03937	0.9
54.40589	0.2
55.01857	0.9
56.75077	0.2
57.03177	0.3
57.03438	3.2
59.04977	0.4
59.85312	0.2
60.04524	0.4
61.02934	2.0
69.03432	8.6
69.77883	1.3
71.01343	0.9
71.04994	2.2
73.02903	1.0
81.03410	1.5
87.04415	0.2
90.75645	0.2
91.05467	0.8
93.07055	0.4
95.08589	0.3
97.02861	0.3
98.82468	0.2
99.04440	1.8
105.07035	0.4
110.08500	0.2
116.04978	0.5
117.05520	0.4
118.06525	3.9
120.08146	0.4
132.06984	0.3
132.08078	1.2
135.11641	0.3
145.07617	15.1
146.08360	0.9
147.09174	21.6
153.12747	0.6
157.07715	1.2
157.08702	0.2
159.09181	9.6
160.09962	1.8
161.10727	0.7
164.41115	0.2
171.09088	0.3
172.09886	0.3
173.07053	2.8
173.10750	1.5
175.08711	1.4
182.08417	0.3
183.09177	0.3
184.09947	0.8
185.10701	3.1
186.11479	0.4
187.08705	1.0
187.12219	1.3
189.10217	1.2
191.08156	100.0
192.08488	0.9
197.10789	1.6
199.08588	1.4
199.12231	1.1
200.09358	0.3
201.10242	0.5
211.08694	0.3
213.10237	1.6
215.11804	1.7
216.07687	9.6
219.11386	0.4
225.10210	0.8
227.11850	0.4
231.11374	0.5
233.09213	0.7
233.12910	0.4
243.11261	0.7
245.09277	0.4
245.12831	0.4
263.13898	7.5
271.10880	0.7
289.11819	3.9
307.12881	52.5
308.13177	0.7
350.13474	47.5
351.13742	0.8
370.72427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.27318	0.8
55.01864	1.4
55.05516	5.4
57.03437	0.9
57.07054	0.8
67.05513	5.1
69.07076	10.9
71.04961	1.7
79.05512	4.3
81.07063	10.6
82.40121	0.8
83.08170	0.8
83.08604	4.3
85.06567	0.8
91.05474	3.7
93.07047	6.7
95.08604	7.8
97.06532	2.3
97.10188	1.2
104.89312	0.8
105.07000	3.9
107.08593	6.4
109.06532	10.4
109.10147	4.2
111.08085	1.5
117.07026	0.9
119.08566	4.7
121.10167	4.3
123.08075	59.1
123.11714	1.3
131.08638	1.8
133.10141	3.4
135.08063	4.1
135.11678	2.7
137.09633	3.7
145.10120	2.1
147.11694	2.1
149.09547	0.9
149.13306	1.3
159.11691	2.5
161.13350	1.1
167.14348	0.9
173.13274	1.7
177.12677	0.8
179.14363	4.0
185.13312	1.2
203.14438	1.1
257.18829	0.8
259.65289	1.0
275.20139	3.0
293.21143	16.0
293.74899	0.9
331.26318	3.1
349.27386	100.0
350.27603	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0894
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53621	1.3
57.03434	2.1
61.37000	1.3
61.94683	1.4
69.03416	1.9
69.69205	8.9
79.05479	2.2
81.07048	7.0
84.04482	4.7
85.02881	3.6
87.02684	3.3
91.05473	22.2
93.07025	1.3
94.45403	1.3
98.20754	2.9
98.97567	8.8
105.06982	1.5
107.08559	1.3
108.05050	1.3
110.97638	1.7
113.41001	1.6
116.98590	2.4
118.02732	1.2
122.02708	4.0
127.03822	1.3
129.69197	1.2
131.08514	1.3
138.72772	1.3
153.01820	2.3
158.99649	3.9
181.81860	1.6
185.04213	48.7
187.03667	100.0
202.08987	6.2
203.07239	2.1
219.01750	4.4
279.03766	1.4
327.07550	1.9
349.08963	45.8
349.13550	1.8
349.18277	52.1
358.08105	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.147
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96542	0.8
60.76341	0.5
61.78187	0.5
70.06593	1.0
70.88742	1.1
70.89112	1.0
71.04984	0.6
85.02902	1.3
88.64542	0.5
96.31229	0.5
97.02901	0.8
122.07131	1.5
153.01849	2.6
162.36475	0.6
177.00633	0.6
187.09474	6.3
277.03070	0.6
303.01349	1.2
311.33368	0.5
331.13013	0.9
338.93768	0.6
349.14688	100.0
350.15268	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0534
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03389	10.4
69.28740	10.7
69.89740	44.9
69.90165	26.0
73.43145	14.6
88.73651	10.0
93.67101	11.0
96.35715	14.1
123.20895	11.4
153.01807	18.7
200.70699	12.2
204.72781	11.4
245.05324	11.8
297.46530	13.3
349.05170	66.8
349.09116	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0893
Annotation	Pibocin B
Peak:m/z	Relative Intensity
55.76981	1.0
55.95469	1.0
59.78238	1.0
69.03429	1.2
71.08860	1.3
71.09213	1.4
78.27672	1.1
79.05481	1.3
81.07071	9.0
81.20010	1.0
84.04501	5.4
86.99043	1.3
87.02673	3.8
89.62219	1.0
99.08115	1.2
105.00098	1.2
109.10126	1.3
116.49482	1.0
122.02717	4.5
130.05009	1.4
132.01132	2.6
133.32208	1.1
147.43620	1.2
149.81601	1.0
153.01804	1.3
159.04648	2.0
185.04218	62.7
187.03662	17.4
188.03824	1.5
202.08942	8.3
203.07365	2.8
220.10062	2.0
349.08939	100.0
350.09348	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
55.05507	0.6
67.05469	0.6
69.03428	1.2
70.13009	2.0
78.63120	0.6
81.07030	1.0
85.06552	0.6
91.05492	1.3
93.07002	0.6
95.04963	0.7
105.07030	1.3
107.08601	1.2
116.52293	0.5
121.06503	1.0
121.10095	0.7
127.04002	1.0
130.61809	0.5
131.08588	3.6
136.07587	0.6
145.10149	1.8
147.11702	0.8
149.09622	0.7
153.01839	1.0
175.59180	0.5
184.13402	0.7
185.13533	1.0
186.11362	0.6
186.14546	0.6
191.10710	1.3
194.70404	0.5
204.44228	0.6
209.11855	0.6
347.13315	4.4
347.16779	100.0
348.16919	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27180	1.8
54.54393	1.9
54.88354	1.8
67.05493	7.7
69.65150	1.8
71.30712	5.0
84.08149	65.5
109.10150	11.6
112.71431	2.1
113.79942	2.4
126.09158	40.0
126.12801	16.4
132.69885	2.5
144.13835	5.6
168.13841	56.1
171.13142	2.1
186.14893	100.0
241.93948	2.2
274.90192	2.5
294.99445	2.4
322.96317	2.2
348.16870	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	347.1489
Annotation	CATECHIN TETRAMETHYLETHER
Peak:m/z	Relative Intensity
51.02405	0.3
53.03961	0.8
55.01895	0.5
56.61285	0.3
56.96591	0.7
56.99989	0.3
60.91166	0.3
65.03957	0.5
66.04713	0.7
67.05515	0.5
69.03429	0.4
69.49046	1.3
69.49456	0.9
77.03954	0.9
78.04719	0.4
79.05495	3.6
80.06287	0.4
81.07067	0.9
84.69763	0.3
91.05484	3.0
93.07069	0.6
94.04176	1.7
95.04960	0.6
97.99200	0.6
105.03410	0.6
105.07059	0.5
107.04953	3.6
108.05738	2.7
109.06522	14.0
110.72321	0.3
111.08079	0.5
121.06526	0.6
124.05247	0.7
125.06023	0.5
130.04176	0.4
133.06488	1.1
135.04439	2.0
135.08073	0.6
136.05228	0.8
137.05981	9.6
139.07561	3.6
147.04401	5.6
149.06007	0.5
150.06750	0.7
151.07545	48.7
152.07924	0.4
153.09100	0.5
155.05885	0.6
155.07036	6.6
160.05128	0.4
161.05984	1.4
162.06766	24.6
163.07529	0.7
165.09084	0.8
167.07040	100.0
168.07350	1.1
175.07539	0.7
178.06221	1.5
181.08578	1.4
193.08607	25.0
195.19846	0.3
209.08086	1.0
211.10336	0.3
223.38005	0.3
315.19315	0.6
316.49478	0.4
347.14828	1.0
347.20135	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	347.1677
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
57.94386	0.3
69.03426	0.4
69.57712	0.8
69.58125	1.4
69.76570	0.3
85.02862	0.3
98.21460	0.6
116.77892	0.3
136.99606	0.3
185.11447	2.1
257.79590	0.3
269.25327	0.3
327.43045	0.5
347.16769	100.0
348.17157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
55.01874	0.7
57.12001	0.6
68.49148	0.5
69.03412	1.2
70.06602	0.7
70.10949	2.6
79.05515	0.9
81.95102	0.5
84.08131	1.0
86.09688	0.7
91.05447	1.2
97.02908	0.7
98.21530	0.8
119.01875	0.7
127.03854	0.9
131.08559	2.8
143.01945	1.6
145.10120	0.8
161.02972	1.5
167.06906	1.0
170.04826	0.7
185.07861	2.5
203.05284	2.1
227.07776	1.0
234.99001	1.6
244.95580	0.6
285.13098	13.1
287.11121	2.7
347.04141	2.0
347.13110	100.0
348.13303	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1313
Annotation	Nordercitin
Peak:m/z	Relative Intensity
52.08012	0.7
54.75336	0.8
59.21536	0.8
61.02931	0.8
65.91141	0.7
69.03427	1.5
69.56821	0.7
71.33378	1.4
74.26405	0.7
85.02905	2.3
85.48682	0.7
91.05491	1.6
93.07066	1.2
93.65519	0.9
97.02881	1.3
98.91283	0.7
105.07026	1.9
127.03891	0.8
131.08583	5.1
140.38469	0.8
145.10155	2.3
167.06865	2.6
167.10715	1.3
185.04225	1.7
185.07932	10.4
191.10664	2.1
203.05273	9.2
204.32265	0.8
209.11728	1.0
225.10564	0.8
258.08957	1.5
272.10413	2.0
273.11136	2.0
285.13129	5.6
301.12582	69.8
329.11960	1.4
347.13126	100.0
347.16672	6.0
348.13510	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.0
56.96560	3.0
57.03433	1.3
57.07071	1.1
61.02941	0.7
69.03423	3.1
70.06593	3.0
70.79576	2.1
71.12922	0.7
73.02923	1.2
81.03419	1.6
82.99857	2.9
84.08114	1.7
85.02906	6.2
85.06555	0.8
87.73830	0.7
88.26823	0.7
97.02872	3.7
98.97579	6.6
99.04431	1.2
101.00890	18.9
103.03933	1.0
109.02878	0.9
113.00880	0.9
113.03496	31.4
116.98626	1.3
119.01929	25.2
121.84943	0.7
123.04443	2.2
124.11217	2.3
127.03919	2.1
131.01906	3.6
136.06216	4.0
137.02972	1.7
138.05484	1.1
139.03839	1.0
143.01910	100.0
144.02058	1.5
145.03447	0.9
153.01822	4.5
154.02069	1.0
155.01903	1.7
157.07671	0.8
158.99670	1.7
161.02969	91.6
162.03127	1.9
169.06107	11.3
173.03020	1.6
176.05226	2.8
181.90912	0.8
182.99721	1.5
184.04573	3.2
185.04309	2.6
185.06573	1.9
185.09215	3.4
185.12828	1.0
186.04514	0.9
190.06830	0.8
197.06700	0.9
201.00722	1.6
203.04025	44.5
204.04158	1.3
215.06636	9.3
219.01822	1.8
221.05046	1.5
227.07704	1.7
228.64005	0.7
237.02820	1.2
245.05171	1.2
287.09744	17.2
305.10916	1.1
325.08594	0.9
347.06332	1.5
347.12915	9.5
347.16641	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.259
Annotation	Broussonetinine B
Peak:m/z	Relative Intensity
50.47340	0.7
51.33789	0.7
53.03938	1.0
55.01859	1.4
55.05499	3.3
56.05014	2.2
57.03442	1.0
57.28377	0.8
58.12814	0.8
60.04527	100.0
63.78433	0.8
65.03926	0.8
67.05507	11.3
68.05012	0.8
69.03424	1.1
69.07067	4.8
69.71101	0.9
70.06595	1.2
71.04988	0.9
71.61649	1.2
72.04514	5.0
74.06073	1.9
79.05499	8.8
80.05018	1.5
81.03402	1.3
81.07059	14.5
82.06551	2.0
83.02792	0.7
83.08611	1.2
85.02859	0.8
85.06556	1.8
86.06049	1.3
90.05544	1.4
90.30420	0.8
91.05484	11.1
93.06640	0.6
93.07055	7.5
94.06538	2.5
95.05012	1.7
95.08613	7.5
99.08092	4.1
102.05513	1.2
102.07430	0.9
103.05454	1.2
105.07041	6.6
107.08601	4.0
109.06501	1.0
109.10170	3.6
111.08114	0.8
112.07600	0.9
115.82002	0.7
116.07084	1.2
117.06995	2.6
119.08583	4.3
121.06485	1.1
121.10173	4.0
123.08041	0.9
125.09624	0.8
128.06238	1.3
129.07027	1.4
131.04968	0.9
131.08563	3.5
131.65665	0.8
133.10143	4.0
134.09613	0.8
135.08022	1.0
135.11716	2.1
137.05951	4.1
137.09622	1.0
138.06332	1.9
143.08580	0.9
145.10129	2.6
147.08081	1.9
147.11610	0.8
149.13263	1.2
157.10110	1.4
159.11681	1.8
161.13255	0.9
164.07884	1.1
171.11652	1.4
191.07037	1.2
191.91331	0.8
201.16379	0.8
230.17354	1.2
274.21799	0.8
286.11877	0.7
292.22760	3.2
310.23721	6.1
314.11099	1.8
328.24805	16.5
346.10226	1.2
346.21637	3.0
346.25885	85.1
347.26105	1.2
348.29382	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.0398
Annotation	Laureacetal E
Peak:m/z	Relative Intensity
51.59961	0.4
56.96557	0.5
69.07076	0.4
71.04990	0.6
71.34521	0.3
71.34878	0.7
81.03421	0.5
81.07052	1.1
82.47279	0.3
85.02912	0.5
91.05479	0.8
93.07004	0.7
95.08582	0.4
98.97562	0.9
105.07053	0.6
107.04910	0.4
107.08606	0.5
109.02925	0.5
110.49407	0.4
118.04169	0.5
119.08578	0.5
121.10188	0.4
133.02878	0.5
133.10095	0.4
134.03606	0.4
135.04547	0.4
137.05978	0.5
146.03621	2.3
147.04382	0.8
148.05135	0.4
151.03941	0.4
151.07521	0.7
159.36282	0.4
162.03172	0.5
162.62958	0.4
174.03136	9.9
175.04016	0.4
176.04678	0.9
177.01837	0.9
179.03371	0.4
186.03191	0.5
189.09079	0.4
190.02560	0.4
192.04277	0.7
202.02614	10.4
203.03403	1.3
203.10678	0.9
204.04210	0.7
205.01334	0.9
214.02609	0.9
217.01237	0.6
218.02068	0.7
230.02116	7.5
231.02800	1.1
232.03693	0.8
233.00830	2.2
241.01114	0.4
242.02127	1.4
257.00995	0.8
258.01611	8.6
260.03210	2.5
261.00330	1.6
262.00980	0.5
273.00543	0.4
274.01395	0.4
275.01855	1.0
276.02716	1.6
283.99496	0.6
285.00406	0.7
286.01074	13.6
287.01733	1.1
288.02533	1.8
288.99808	4.9
291.01208	0.6
301.00003	0.4
302.00378	0.8
303.01300	2.6
304.02048	0.7
314.00565	28.0
315.01370	1.0
316.02060	0.5
316.99274	7.8
318.00067	0.5
328.99124	0.4
329.02817	0.5
329.17557	0.8
331.00848	4.2
332.01620	30.8
347.03979	100.0
348.04300	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05513	1.0
57.03428	1.1
57.07080	1.3
61.02929	1.0
65.03935	1.6
67.05512	4.5
69.03432	8.9
69.07072	13.5
70.80877	2.2
71.04962	1.1
73.02942	0.9
78.76250	0.8
79.05489	3.5
81.03431	1.8
81.07058	20.3
83.04969	3.0
85.02911	8.6
85.06548	3.5
86.09686	1.0
89.03886	1.2
93.07053	1.8
94.06566	12.5
95.04967	2.8
95.08595	5.6
97.02887	1.8
97.06548	1.6
99.04453	2.4
99.08087	13.0
105.07027	1.4
107.08591	3.1
108.08144	1.5
109.02814	0.8
109.06514	5.7
109.10157	3.3
110.06049	2.8
111.08079	1.1
112.07604	1.6
113.06009	1.6
116.04981	7.1
119.08607	1.1
121.10146	8.6
121.72272	0.8
122.06035	19.3
123.04440	1.2
123.08089	2.3
123.11703	4.9
123.12527	0.7
124.11217	1.0
125.09641	7.9
127.03940	2.1
127.07571	1.2
128.00806	0.8
137.06000	1.5
137.09608	3.0
137.13274	1.8
139.11176	9.4
140.07060	29.0
144.04454	15.6
146.05998	8.1
147.11671	2.5
151.07637	1.2
161.05965	1.0
162.05539	6.3
163.06270	0.8
165.12733	5.7
167.07100	1.7
172.03937	54.4
174.05531	2.6
183.13811	100.0
184.14076	1.0
190.04961	2.2
204.06567	89.4
206.08128	13.8
221.06046	1.0
273.57599	0.8
300.12219	1.4
313.11685	3.1
327.12918	1.6
331.13049	1.4
345.10217	1.2
345.14685	5.3
345.18561	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
57.03434	7.0
61.02924	6.6
62.20066	2.0
67.70585	2.2
69.03432	19.9
69.74682	2.2
70.06603	15.9
71.04985	3.7
73.02908	3.7
76.83491	2.6
81.03409	15.2
85.02909	100.0
86.09695	15.3
91.03973	5.0
97.02885	29.7
99.04446	6.4
101.57951	2.3
107.04956	75.0
109.02879	9.1
116.07117	12.5
121.06502	3.0
123.08028	3.5
127.03928	23.9
145.04945	42.2
149.05989	26.6
153.01898	3.1
162.07762	2.3
163.06049	4.3
166.08707	4.4
167.07079	15.6
168.05460	2.4
173.05980	5.1
180.08652	16.4
184.09741	5.2
184.13269	3.9
195.08119	2.7
207.13742	2.6
215.07045	9.9
223.07695	4.0
233.08084	5.5
237.09184	3.3
243.23311	2.4
275.09195	4.6
277.03510	2.7
283.09628	7.7
300.12378	6.4
341.11331	3.0
346.15710	16.3
347.13174	2.7
347.16995	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26866	0.6
60.20285	0.6
69.52316	4.0
70.06592	2.4
86.09704	1.6
92.78335	0.5
108.99321	0.6
116.07104	2.1
122.02843	0.6
131.04871	0.8
137.05977	3.9
144.50522	0.6
157.47021	0.5
183.06325	0.8
184.71227	0.5
191.07040	1.3
220.11621	0.6
223.07562	0.8
245.20599	0.6
254.09607	0.6
313.10742	1.7
345.15225	100.0
346.15775	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41600	2.1
54.47072	2.5
60.04509	5.0
67.05502	3.9
69.03432	2.3
70.75296	5.1
79.05464	3.3
81.03407	3.5
81.07053	6.6
83.08601	2.5
86.22295	2.3
91.05476	6.2
93.07042	4.8
94.04166	4.7
98.27679	2.2
103.05476	15.4
105.07027	10.6
107.04955	5.8
107.08571	2.8
109.06501	3.3
109.10172	6.1
117.06976	2.7
121.06480	5.9
122.03616	9.4
131.04942	17.8
133.06509	17.8
135.08073	8.9
137.05988	100.0
137.09605	8.9
147.04411	3.7
149.05913	4.1
151.07483	5.2
153.06908	2.6
163.03873	2.6
163.07573	30.7
165.06955	2.8
165.09076	4.8
167.07118	5.4
172.03989	2.8
191.07056	7.4
203.82635	2.9
240.09154	2.8
245.12773	5.5
285.11636	2.6
295.09644	3.3
299.10141	3.8
309.08627	3.0
313.10666	7.0
327.09253	3.3
345.10193	7.9
345.13889	4.4
345.18732	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	345.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.8
55.01866	0.9
55.05505	1.1
65.03920	0.9
67.05497	3.9
69.03416	3.3
69.07055	3.7
69.45428	3.0
69.45860	3.8
72.79644	0.8
73.02913	1.0
79.05489	2.3
80.05011	1.1
81.03378	0.9
81.07051	1.9
82.01452	0.8
83.04975	3.8
85.02898	1.9
85.06546	1.6
86.48534	0.8
89.03886	1.3
91.05480	3.3
93.07052	1.7
94.04176	1.0
94.06569	11.9
95.04957	2.8
95.08601	1.4
97.06535	1.2
100.75515	0.8
103.05437	1.3
105.06999	1.9
107.08595	2.7
108.08095	1.9
109.06531	2.2
110.06035	2.4
112.07590	1.5
115.05448	1.1
116.05003	7.7
119.08631	1.9
121.10146	2.9
122.03678	4.0
122.05149	1.4
122.06034	26.1
123.04448	1.2
123.08035	3.4
123.08889	1.0
124.11200	1.4
131.04927	1.7
133.10130	1.0
137.05980	39.3
137.09589	4.3
140.07074	33.0
141.07780	1.1
143.04922	1.0
144.04453	14.3
146.06013	7.6
147.11684	2.2
149.05991	2.7
151.03862	1.8
151.07570	1.8
161.06026	1.4
161.13304	1.6
162.05550	7.1
163.11172	1.3
165.09099	6.7
165.12775	2.1
171.11646	0.8
172.03943	59.8
173.04588	1.2
174.05495	2.1
175.07578	1.5
183.10139	9.7
183.12001	2.2
183.13699	1.6
189.12746	3.5
191.07043	2.9
204.06575	100.0
206.08113	15.4
207.13803	3.1
211.07726	0.8
221.06032	1.2
224.08366	0.8
225.09155	1.2
253.08379	1.3
265.08566	1.1
267.10339	2.2
285.11191	1.5
295.09732	1.6
299.09180	1.2
300.12317	1.3
309.11115	2.2
313.11179	3.0
327.13123	1.8
331.12906	3.0
345.15210	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	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
53.03936	2.1
55.01865	3.1
55.05520	1.8
59.21773	1.8
61.02939	1.3
65.03943	7.8
67.05498	2.4
69.07063	2.6
71.34800	2.6
71.93275	1.5
79.05480	3.4
81.07030	2.0
85.02885	1.7
91.05461	2.8
93.03405	2.8
95.04954	2.0
95.08603	2.0
96.02113	5.1
96.90308	1.5
103.05447	2.9
105.06961	2.0
109.02826	1.6
111.04441	28.1
115.05466	3.6
117.07013	1.8
122.05001	1.4
123.04448	2.4
128.06241	2.4
129.06998	6.3
131.04912	3.7
135.04356	2.2
137.05994	6.5
137.09610	2.0
139.03900	17.3
139.05399	1.6
141.06993	2.8
144.05725	2.3
145.06465	6.2
147.04398	2.9
147.08054	1.7
149.05986	1.9
153.05542	3.0
153.07004	6.2
155.08577	2.0
157.06494	4.6
159.08057	4.6
160.08804	2.8
161.05939	5.1
161.09639	2.3
163.03897	6.7
165.06993	6.1
165.77513	1.6
167.03401	6.7
167.07095	2.5
167.08545	4.2
168.05714	5.6
169.06511	6.1
173.05919	3.1
175.07430	2.4
178.07753	4.6
179.08459	7.3
181.06511	9.7
182.07259	4.3
183.08014	4.1
185.06003	7.0
185.09584	4.6
187.07573	7.4
188.08368	9.9
189.09073	4.3
190.07745	1.6
191.03378	2.8
191.07007	6.4
191.08542	1.9
193.06415	2.4
195.06464	2.9
195.08055	7.2
196.05228	5.5
196.08829	5.9
197.05913	6.4
197.09637	3.9
198.06726	20.1
199.07533	4.9
200.08301	4.4
206.07274	4.2
207.08032	8.4
209.05940	5.0
209.09462	1.7
210.06776	6.5
211.07579	12.7
211.11165	5.5
213.05522	8.0
213.09163	4.1
221.05833	1.6
221.09586	4.2
223.07570	9.1
224.04811	1.6
224.08350	5.3
225.05476	1.9
225.09120	6.6
226.06270	6.2
226.09874	1.8
227.07025	9.1
227.10603	2.9
228.07710	4.8
234.06721	2.9
235.07585	4.8
236.08315	2.5
237.05478	3.6
237.09111	3.2
238.06160	3.0
238.09903	11.6
239.07048	28.4
239.10690	18.2
240.07831	10.1
241.04941	6.8
241.08568	14.1
243.06569	14.7
249.09180	4.5
250.09872	1.6
251.07025	5.3
252.07901	3.5
253.04977	3.2
253.08618	11.2
253.12195	5.1
254.05852	3.3
255.06461	5.2
256.07291	19.7
256.10254	2.1
256.10822	2.0
257.08118	2.3
266.09396	3.6
267.06573	5.6
267.10156	38.2
268.07318	26.8
268.10458	2.6
269.08078	35.8
270.08633	3.3
271.06616	1.7
271.09692	7.8
271.13242	5.7
281.08005	3.2
281.11639	3.3
283.09595	2.0
284.06796	4.8
284.10394	9.7
285.11200	4.5
286.08411	8.0
295.09628	10.6
296.10394	13.9
299.09128	100.0
299.12775	24.1
300.09427	2.1
309.11124	1.9
312.09915	3.1
313.07062	5.8
313.10684	26.9
317.13858	3.1
327.12265	82.1
328.12518	2.2
330.03806	3.4
345.06052	5.9
345.09506	2.6
345.13306	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	345.1335
Annotation	Chushizisin F
Peak:m/z	Relative Intensity
55.01870	1.6
55.05503	1.8
56.96565	1.4
65.03927	4.5
67.05486	1.7
68.02637	1.7
69.03419	1.3
69.07057	2.6
70.14642	4.8
71.04994	1.2
79.01883	1.2
79.05488	1.1
81.03402	2.4
81.07039	3.6
83.04951	1.8
83.08537	1.0
85.02873	1.9
87.02499	1.1
91.05463	3.3
91.83367	1.1
92.89600	1.1
93.03373	2.5
95.04939	1.7
95.08607	1.2
96.02103	6.1
103.05418	1.6
105.07026	1.6
107.01318	2.7
107.04944	2.6
107.08592	2.3
109.02890	1.7
109.10146	3.1
111.04455	27.2
115.05430	2.5
117.07012	1.7
121.06548	1.5
123.04430	2.8
124.07603	1.4
128.06288	1.9
129.06964	3.4
131.04901	3.8
135.08131	1.6
137.02319	2.0
137.05972	6.8
139.02925	1.5
139.03912	15.2
141.06970	2.7
144.05669	2.7
145.06517	5.9
147.04370	2.2
151.03885	1.2
151.07478	1.5
152.06224	3.0
153.05521	1.5
153.06984	4.8
155.04955	1.5
155.08545	2.1
157.06494	4.3
159.08098	7.4
160.08855	6.4
161.05969	7.8
161.09575	3.6
162.06764	1.4
165.06993	5.1
165.09099	2.2
166.07845	1.3
167.03410	6.3
167.07104	1.6
167.08557	1.9
168.05717	4.6
169.06514	3.1
170.07315	2.3
171.08058	2.9
172.03917	1.2
173.05977	2.6
175.07570	2.2
178.07735	3.5
179.08514	7.5
181.06480	8.9
181.10011	1.5
182.07198	3.0
183.04422	1.4
183.08034	4.4
184.08748	1.9
185.05949	5.1
185.09557	2.0
187.07515	5.4
188.03397	3.0
188.08368	7.8
189.07111	2.1
189.09134	3.0
191.06990	3.1
195.08096	8.0
196.05183	4.8
196.08801	4.5
197.05943	5.8
197.09645	2.8
198.06773	18.6
199.07533	3.5
200.08324	2.8
205.06500	1.8
206.07231	3.1
207.08115	8.3
208.08862	2.4
209.05945	3.6
210.06787	5.9
210.10426	1.4
211.07573	12.4
211.11163	4.8
212.08223	2.0
213.05515	8.7
213.09100	4.2
215.07031	1.5
218.07259	2.1
221.06004	2.1
221.09607	4.1
222.10390	2.1
223.07491	8.0
224.04686	1.5
224.08263	6.5
225.05415	3.4
225.09088	6.8
226.06252	8.0
227.06999	5.3
227.10661	2.3
228.07811	5.3
234.06779	1.7
235.07489	3.5
236.08345	1.8
237.05437	3.1
237.09128	4.7
238.06204	2.6
238.09871	10.7
239.07033	23.5
239.10626	14.2
240.07811	11.1
241.05016	7.2
241.08621	15.4
243.06543	12.5
243.10220	1.6
249.09135	4.4
251.07050	3.8
252.04147	1.5
252.07831	6.6
253.05028	2.5
253.08560	10.5
253.12234	4.1
254.05867	1.7
255.06519	4.8
255.10220	2.0
256.07312	18.1
256.11337	1.7
257.08057	2.2
258.08905	2.0
265.08630	1.9
266.09402	2.7
267.06543	6.6
267.10144	30.5
268.07318	22.4
268.10507	2.4
269.08057	28.0
270.08868	2.3
271.09576	5.0
271.13275	6.8
281.08102	3.4
281.11758	5.3
283.09698	1.6
284.06842	4.5
284.10437	10.9
285.11200	4.7
286.08398	7.9
295.09662	8.7
296.10510	12.3
299.09122	100.0
299.12744	18.7
312.09839	2.8
313.10745	29.0
317.13879	2.6
327.12268	74.1
330.03571	1.4
345.06091	4.9
345.13297	42.9
345.17239	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1336
Annotation	2'-Hydroxy-3,4,4',6'-tetramethoxychalcone
Peak:m/z	Relative Intensity
53.03954	3.4
54.51481	2.2
55.01863	4.6
55.05515	5.1
56.96568	3.1
60.04539	2.3
62.38614	2.2
65.03935	4.5
67.05488	9.5
69.03428	9.0
69.07065	8.5
71.61760	3.1
77.03923	2.5
79.05492	10.2
81.03423	6.5
81.07053	10.5
83.08602	2.4
85.02908	5.9
85.06528	2.6
91.05482	16.6
93.07044	5.8
95.04974	5.1
95.08612	10.6
97.02873	2.5
98.97569	5.0
99.04459	3.3
101.86063	2.3
103.05473	7.4
105.07021	7.6
107.04971	15.0
107.08614	6.0
109.02876	5.2
109.06493	3.4
109.10161	14.2
109.76810	3.0
111.04449	5.6
115.05485	7.9
117.07038	13.6
119.04939	4.9
119.08572	5.5
120.29089	2.5
121.02865	9.4
121.06516	8.9
121.10124	3.2
123.04431	31.1
123.08089	2.9
124.11257	2.5
127.03934	5.4
131.04948	14.6
131.08569	5.0
133.02875	3.9
133.10143	3.6
135.04420	11.6
135.08038	5.6
137.06001	18.5
137.09630	11.6
139.03922	4.7
140.07072	6.5
141.07007	2.7
145.06454	14.4
147.04401	6.0
149.02353	36.2
149.05972	16.8
149.09647	4.8
151.03914	3.4
151.07533	20.1
152.06270	3.6
153.05495	4.5
153.07002	7.8
155.06036	7.6
155.08601	5.7
157.06480	3.2
159.08034	4.7
162.06786	2.7
163.03944	5.4
163.07559	9.0
165.06993	21.9
165.09082	11.3
167.07120	27.5
167.08438	4.5
168.05681	3.5
169.06427	4.6
172.03902	5.3
173.05942	6.6
174.06740	3.5
175.07523	2.8
176.04718	3.5
177.05548	13.8
177.06970	3.3
177.07449	3.6
177.09106	34.9
178.07808	7.4
178.58153	2.4
179.07111	3.1
179.08569	6.2
181.04933	7.4
181.06505	14.9
182.07300	4.0
183.05565	6.5
183.08022	15.5
185.05830	3.1
185.07246	2.9
185.09663	2.6
191.03409	3.6
191.07042	19.0
191.08531	4.2
193.06442	4.2
193.10100	5.4
194.04730	2.7
194.07240	3.8
195.05521	5.1
195.08098	9.7
195.10176	28.9
196.05328	3.1
196.08813	4.4
197.06015	6.6
197.09442	2.6
198.06792	7.6
203.08719	3.5
204.06567	12.0
205.06847	3.2
205.08636	16.1
206.07385	5.2
207.08084	10.2
208.08936	3.8
210.06738	10.8
211.07568	24.9
213.05450	4.6
213.09105	4.3
219.08025	3.8
221.06010	4.1
221.09660	5.7
223.07549	9.5
223.09586	4.6
224.08328	6.6
225.05539	3.6
225.09029	5.6
226.06268	20.0
227.07031	4.8
229.06087	19.6
235.07603	5.3
237.09171	4.3
238.06259	7.7
239.07030	51.7
239.10646	15.1
240.07826	3.3
241.05081	3.1
241.08589	6.2
243.06717	4.9
249.09155	8.4
251.07024	5.2
252.07883	6.6
253.08614	7.0
254.05663	5.1
255.06554	14.6
256.07257	6.0
257.05579	10.4
267.06689	6.5
267.10175	19.0
268.07324	8.9
269.08173	7.6
270.08792	6.4
271.09760	4.5
277.08530	8.4
281.08102	13.1
281.11279	3.7
284.06921	2.9
284.10367	4.3
285.11133	21.6
286.08368	6.9
287.02130	4.5
287.05341	3.1
295.09641	11.7
299.09183	51.7
299.12811	24.8
300.12201	3.6
309.11267	7.0
313.10696	100.0
314.11267	4.5
315.01248	7.6
317.07358	6.0
317.10596	4.8
317.13995	6.8
327.06186	21.8
327.12222	43.6
328.99109	2.6
330.00070	23.9
345.02515	60.4
345.06497	6.4
345.09863	7.6
345.13385	88.3
345.18637	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	345.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28658	3.2
68.02734	3.0
69.03428	6.8
70.06596	4.3
71.34953	7.1
73.02911	8.3
85.02902	10.7
97.02888	8.8
98.97589	3.9
101.00872	6.1
119.01942	3.6
127.03948	6.6
136.07574	4.4
153.01855	38.2
155.01926	4.5
157.07365	3.6
161.02925	3.9
164.07117	22.5
182.99680	3.4
201.00769	4.1
203.04056	3.7
205.05521	7.0
234.06650	5.4
245.05054	6.1
282.89282	3.6
301.12643	5.3
327.08234	4.2
345.09424	100.0
345.15137	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.7
56.96579	1.2
57.03429	1.6
59.05053	0.6
61.02934	2.8
65.03958	0.9
68.05022	0.6
69.03429	6.4
70.06600	0.9
71.60377	0.6
73.02923	2.1
78.03468	0.7
79.01875	0.9
81.03429	2.1
82.06576	1.7
84.08132	0.8
85.02905	8.6
87.04459	1.4
92.05008	2.8
93.05795	0.7
94.06577	1.0
97.02892	4.4
98.97571	1.2
109.02916	1.7
109.07624	1.2
110.06040	1.1
119.06070	25.7
120.04469	5.8
122.06039	1.2
123.05537	1.1
127.03901	4.2
135.05551	0.7
135.35605	0.7
137.06041	1.2
137.07098	6.3
143.03403	1.0
145.05020	0.9
147.05562	8.6
148.03911	4.6
148.06322	31.9
149.07108	24.0
150.05547	0.6
153.01843	16.5
153.02939	0.7
164.07109	1.8
164.98639	0.7
165.06607	100.0
166.04941	0.6
166.07367	4.7
182.99640	2.3
183.07660	64.9
184.08011	0.7
199.18486	0.6
200.96869	0.8
201.00681	3.3
202.06110	0.7
218.98026	1.2
219.01738	1.3
225.00812	1.4
243.02945	0.7
263.81012	0.6
269.00812	1.6
282.11145	1.1
297.00333	1.4
299.14017	0.6
301.03476	1.2
301.28165	0.6
324.65112	0.6
327.01144	3.1
328.11401	0.7
345.02533	3.2
345.12827	85.6
346.13037	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	345.0607
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
52.74862	0.3
53.90226	0.3
54.12873	0.3
58.53485	0.3
59.73427	0.3
67.05500	0.6
68.55537	0.3
69.41113	2.7
70.42844	0.3
86.59940	0.3
91.05492	0.4
102.04670	0.4
103.05522	0.4
105.07065	0.4
115.05480	0.5
131.04907	0.7
132.05725	0.3
137.05971	0.4
143.04898	0.7
145.06519	0.5
145.09978	0.3
147.04428	0.6
157.06526	0.5
158.03619	1.0
159.04468	0.6
159.91948	0.3
171.04480	0.8
173.05971	0.9
175.03917	1.2
185.05911	0.6
186.03168	2.0
187.03883	0.9
191.07076	1.4
197.02376	0.6
198.03151	0.7
199.03920	1.4
200.04732	0.5
201.05438	3.4
203.03418	2.6
213.01855	0.7
214.02635	2.2
215.03415	1.4
225.01961	0.5
226.99884	0.5
227.03525	0.7
228.04190	1.2
229.01387	0.4
229.04980	2.9
229.07326	0.7
231.02954	4.6
238.02469	0.3
241.01241	2.2
242.02109	6.4
243.02763	0.8
254.09239	0.3
256.03653	1.0
257.00735	0.5
257.04483	1.3
259.02408	3.2
269.00760	2.2
270.01608	3.3
271.02344	1.6
271.99600	0.5
274.04721	0.8
284.02966	0.6
285.03946	10.5
286.01047	1.4
286.04370	0.5
287.01883	8.6
297.00244	1.2
299.01868	1.8
299.99060	0.9
301.03568	1.6
302.04007	0.8
312.02652	1.8
313.03433	33.3
313.10675	1.8
314.00778	0.5
314.04117	2.6
314.11539	0.5
315.01361	23.0
316.01987	0.8
329.02979	3.8
330.03705	29.8
331.04025	0.7
345.06061	100.0
346.06381	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	345.0817
Annotation	Theogallin
Peak:m/z	Relative Intensity
50.01602	0.4
51.02377	0.5
55.01874	0.4
55.05499	0.5
61.02920	0.5
65.03939	0.6
67.05508	0.4
69.03426	1.4
69.82477	0.3
70.10499	1.2
73.02911	0.4
79.01860	4.7
81.03408	0.8
81.29716	0.3
83.04974	1.2
84.08154	0.4
85.02897	1.5
86.09728	0.4
93.03427	0.8
97.02907	2.3
98.97595	0.4
107.01318	1.7
109.02900	2.0
111.04450	1.4
119.01961	0.5
125.02380	3.0
127.03941	2.4
136.07561	0.5
137.07947	0.4
139.03906	0.5
143.03415	5.6
153.01842	100.0
153.02885	5.0
154.02174	0.7
164.07069	2.1
167.08621	1.0
171.02924	1.8
177.06981	0.5
182.08211	0.6
183.08482	0.5
191.08623	0.8
195.08051	1.1
207.08217	0.5
219.08087	0.9
221.09674	0.6
223.07518	0.5
236.10780	0.9
238.12367	0.5
240.10207	1.3
253.13695	0.7
254.11861	0.3
264.07516	0.4
265.08606	0.4
282.11295	2.1
290.54941	0.4
299.01840	0.4
299.13928	1.5
300.12274	0.7
320.24606	0.3
327.07184	0.9
328.11823	1.7
345.11423	0.6
345.15393	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0606
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
58.30488	0.3
58.33747	0.3
67.05521	0.2
70.85211	0.4
78.37224	0.3
95.08527	0.2
115.05428	0.7
131.04874	0.8
137.09644	0.3
143.04819	0.3
144.05650	0.3
145.06493	0.8
147.04391	0.3
147.80753	0.2
155.04887	0.4
158.03653	0.6
159.04398	0.4
161.05960	0.4
167.06973	0.3
169.02748	0.3
170.03667	0.4
171.04405	0.7
172.05154	0.4
173.05962	1.0
175.03889	1.0
185.02361	0.4
185.05962	0.6
186.03146	2.0
187.03856	0.6
190.06339	0.3
195.54260	0.3
197.02403	0.6
198.03078	0.6
199.00137	0.3
199.03896	1.6
200.04663	0.5
201.05435	3.2
203.03410	2.2
210.03148	0.3
212.01166	0.3
213.01932	0.5
214.02603	2.9
215.03429	1.4
225.01868	0.5
226.02542	0.4
227.03328	0.7
228.04205	1.2
229.01361	0.3
229.04922	2.9
231.02866	4.3
240.04070	0.3
241.01308	2.2
242.02092	6.7
243.02864	0.7
246.05309	0.3
256.03668	1.7
257.00964	0.4
257.04449	0.9
259.02356	3.8
269.00793	3.1
270.01569	3.9
271.02365	2.1
271.99445	0.5
273.03836	0.3
274.04654	0.7
284.03198	0.9
285.03928	11.5
286.01093	0.9
286.04675	0.7
287.01855	8.3
287.05038	0.4
297.00409	1.2
298.01447	0.3
299.01892	2.3
299.99075	0.7
301.03400	1.7
302.04147	0.8
312.02588	2.2
313.03406	33.2
314.04178	3.6
315.01349	24.4
316.01923	0.9
329.02985	4.0
330.03705	32.0
331.04138	0.5
345.06042	100.0
346.06464	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	344.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
54.00890	0.6
55.01870	1.2
55.82195	0.6
56.96572	1.7
57.03423	2.2
57.14669	0.6
60.04504	2.0
60.35723	0.6
61.02917	3.8
69.03428	7.5
70.06586	1.0
71.04986	1.2
71.55390	0.8
73.02906	1.6
78.10437	0.6
79.01860	0.8
81.03419	4.5
85.02908	20.7
87.04449	1.2
91.03941	1.9
91.05480	12.5
95.04961	1.0
97.02894	8.6
98.97561	2.1
99.04468	1.5
107.04957	0.8
109.02867	1.8
110.97512	1.0
116.98574	0.8
119.04944	34.7
121.06537	1.6
123.04427	3.1
125.21008	0.7
127.03948	4.0
136.07578	77.9
143.03374	2.1
145.04921	3.9
147.04414	2.7
153.01834	21.9
153.02943	1.4
160.07574	0.9
164.07060	9.6
164.10777	0.7
165.05490	8.3
171.02931	0.9
178.08650	1.8
182.04575	2.7
182.08128	100.0
183.08382	1.0
214.25928	0.6
224.09093	3.6
248.09030	0.7
260.09067	0.8
264.17184	0.7
308.11237	1.6
326.12228	1.7
344.09030	2.1
344.13278	4.7
344.17004	1.2
345.11719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.4
59.05004	60.8
61.02929	2.1
69.03429	4.6
70.06593	3.3
70.61217	3.8
73.02874	1.5
77.06039	3.3
81.03422	2.6
82.27402	1.2
84.27248	1.3
85.02908	14.5
89.06036	18.7
91.05485	1.6
97.02913	4.4
98.97608	1.3
102.52779	1.2
103.07587	65.5
103.58761	1.2
109.02864	1.8
122.06030	3.5
127.03880	2.8
133.08589	9.2
136.07605	1.8
136.11229	3.7
137.05949	1.7
145.04982	1.3
146.05972	3.2
147.10246	1.2
153.01843	3.0
164.07068	17.9
165.11234	100.0
182.02859	1.8
182.08145	4.6
182.11737	8.1
202.30907	1.2
257.00861	1.5
258.26059	1.3
301.12451	2.2
326.12332	1.9
344.13571	5.6
345.15311	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	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	1.3
61.02923	1.2
69.03424	3.3
70.52351	0.8
70.99810	1.6
81.03417	0.9
85.02911	16.8
88.03985	1.8
91.05476	6.2
97.02892	3.7
99.04487	0.8
109.02864	1.4
119.04948	19.4
119.05766	1.4
123.04444	2.3
123.55347	0.7
127.03932	2.6
133.75479	0.9
145.04955	2.9
147.04417	100.0
148.04759	0.9
165.05484	51.2
180.08670	1.1
181.88002	0.8
237.29897	0.9
239.11142	0.9
289.11133	0.8
294.46567	0.7
344.13635	1.5
344.17270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56163	0.7
57.03427	0.7
59.43201	0.7
61.02915	1.5
65.13500	0.7
69.03437	3.6
70.61085	2.0
79.34500	0.6
81.03426	1.0
85.02410	1.1
85.02907	17.2
87.23177	0.6
88.03970	1.2
88.43683	0.7
91.05499	4.6
97.02881	3.9
99.04470	1.1
109.02876	1.4
119.04952	19.0
123.04430	2.1
127.03932	3.1
145.04961	4.0
147.04414	100.0
148.04733	0.8
165.05484	51.9
180.08716	1.1
274.78720	0.7
298.30225	0.8
304.41333	0.7
344.13931	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.5
55.58498	1.4
56.73953	1.5
57.94215	1.3
60.04508	6.7
65.03954	1.6
65.13387	1.3
69.03422	5.2
69.83949	6.7
69.84353	2.4
70.06572	4.0
79.05475	1.7
81.07031	3.0
82.06566	2.3
83.04977	2.8
84.08113	1.3
85.02902	7.4
87.04436	3.1
88.03989	25.3
89.06034	71.8
91.05481	11.8
93.07036	2.5
95.04956	2.3
95.08626	1.6
97.02869	2.8
98.06029	1.4
98.21465	2.4
98.97580	3.1
105.07029	2.6
109.06522	3.0
111.05469	1.4
116.61020	1.2
119.04958	18.1
121.10078	2.2
122.02393	2.8
122.06036	3.0
123.08053	1.9
124.11210	4.1
128.81519	1.4
130.06534	2.7
133.08609	45.8
133.10085	1.8
137.06018	2.1
140.03384	3.7
145.04979	1.9
146.42497	1.3
147.04414	100.0
156.74426	1.4
164.07066	2.0
164.10660	7.7
165.04132	2.4
165.05492	48.8
167.07024	2.1
177.11247	13.4
180.08727	1.4
181.08342	2.7
182.08269	7.7
182.11743	8.1
184.13297	2.7
205.12306	3.5
207.13843	2.5
231.13591	1.4
235.89316	1.4
239.10930	2.5
283.17410	2.2
298.11267	1.4
313.10562	1.8
326.23309	3.0
327.20135	23.1
344.13846	20.5
344.24231	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03945	11.7
55.01878	8.2
55.05510	18.1
56.96559	6.9
57.03439	8.8
57.07077	7.4
59.05004	9.6
67.05510	33.9
69.03432	9.8
69.07069	16.9
70.89111	4.4
70.89440	8.7
71.04998	27.9
79.05507	22.7
81.03423	4.3
81.07065	42.2
83.04986	8.7
85.06564	5.2
91.05473	40.3
93.07050	83.9
94.68096	4.2
95.04965	59.9
95.08611	86.2
97.06543	21.2
105.04491	4.7
105.07039	100.0
105.07742	5.1
107.08602	65.9
109.06535	19.8
109.10162	10.5
115.05457	8.7
117.07031	35.2
119.08589	34.0
121.06510	18.3
121.10158	19.5
123.08067	28.3
125.05963	4.6
129.06996	12.3
130.07797	23.0
131.08594	15.2
132.69411	3.8
133.06516	10.1
133.10112	19.2
135.04460	8.0
135.08070	23.9
135.11707	17.7
137.05983	10.4
137.09659	7.1
137.64452	4.1
141.06879	3.9
142.07822	5.1
143.08580	16.1
145.10135	86.4
147.08041	19.2
147.11687	10.1
149.09665	8.9
151.03896	6.2
151.07571	44.9
153.09149	5.4
156.09346	9.2
157.10170	12.9
159.08063	5.2
159.11684	13.8
161.09644	12.6
161.13315	4.5
163.11197	71.2
165.09129	17.1
171.08047	6.3
171.11754	7.8
173.09520	6.1
173.13264	7.4
175.11220	8.4
177.09142	5.4
178.08398	4.1
179.07069	5.2
183.11685	7.8
189.12781	12.0
189.16493	5.4
197.22122	4.0
201.12656	4.7
203.14456	8.0
207.10147	9.0
207.13795	5.7
209.15340	6.6
217.12096	5.1
221.15315	39.2
240.23224	5.3
244.72298	4.5
245.15408	5.6
263.16434	13.6
286.19290	6.6
325.21634	10.0
328.01935	4.1
343.04495	20.2
343.22678	97.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.0
55.01858	4.3
55.05511	2.2
57.01913	1.7
57.03431	4.7
57.07069	1.9
61.02927	4.8
62.84510	1.8
69.03435	15.8
69.94794	4.8
69.95216	4.5
71.04978	2.0
73.02909	3.1
75.53911	1.7
79.05483	5.8
81.03406	7.0
81.07053	12.5
83.04981	5.1
85.02904	35.0
91.05477	8.1
93.07075	11.9
93.07587	2.4
95.04983	19.8
95.08598	2.8
97.02904	11.5
97.06534	4.2
99.04465	2.2
99.92337	1.8
103.05476	2.8
105.07001	12.4
107.04950	4.3
107.08585	13.3
109.02866	2.8
109.06525	4.8
117.07037	5.4
118.25494	1.9
119.08577	6.0
121.06519	3.8
121.07644	11.3
121.10164	24.3
123.08064	3.1
125.06009	13.2
126.01044	7.2
127.03915	8.3
130.07811	2.2
135.11710	8.4
137.05946	10.4
138.05486	2.8
139.05826	1.7
145.04962	8.2
145.10135	20.5
149.06097	2.3
161.05962	4.6
161.95216	1.8
163.07524	5.4
163.11192	100.0
165.12766	4.4
175.07547	5.6
176.58798	2.0
181.08368	22.5
181.12183	14.5
205.06488	1.9
223.13243	3.0
235.46735	1.7
237.09106	2.6
237.76260	1.7
246.07973	7.7
265.08615	3.3
282.08841	2.9
293.08005	2.0
297.11261	4.1
299.12640	3.8
311.12753	9.3
314.52036	1.7
343.13599	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	343.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48241	2.0
53.03936	2.5
55.01867	3.2
57.03437	4.7
61.02923	5.3
69.03429	17.4
69.07048	3.5
71.05002	4.2
71.60981	2.7
73.02930	5.1
79.05486	7.1
81.03388	4.1
81.07049	13.3
83.04970	8.0
85.02906	32.6
86.09728	3.8
91.05482	6.2
93.07053	11.3
95.04980	16.7
95.08594	3.2
97.02913	15.3
97.06528	4.4
99.04471	5.3
105.07022	12.6
107.04964	6.8
107.08605	11.7
109.02912	3.3
109.06475	4.7
117.07037	3.8
119.08572	6.1
121.06451	4.0
121.10148	11.9
125.06024	14.9
127.03895	9.9
130.07780	4.0
135.07973	3.4
135.11688	10.1
137.05956	5.5
139.05811	2.9
140.10652	2.3
145.04982	7.9
145.10126	21.2
163.11185	100.0
165.09184	2.7
181.04913	2.4
181.08478	8.3
181.12254	18.0
183.10182	3.0
343.13516	42.4
361.83423	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	343.1575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.0
55.05507	1.8
56.96574	1.6
58.99588	39.8
67.05500	2.9
69.03433	80.8
69.07076	1.5
69.89583	3.7
70.16238	0.8
71.69070	0.7
73.01125	1.6
79.05499	1.7
81.03404	0.9
81.07043	2.3
83.04969	3.1
83.08598	0.9
85.01137	1.3
86.99057	50.3
87.04475	23.6
87.05012	1.3
89.04259	1.2
91.05465	2.4
93.07043	1.7
94.06584	0.9
95.04980	1.3
95.08603	2.2
98.21447	1.5
98.37254	0.8
99.02663	2.7
102.04658	1.3
103.05454	1.6
105.07013	2.8
107.04980	0.9
107.08578	2.1
109.06549	0.9
109.10155	2.8
113.00599	1.1
117.03705	4.0
117.07027	1.0
119.01647	100.0
119.08582	1.2
121.10146	1.8
122.06023	3.6
123.04379	0.9
123.08089	1.4
131.04961	2.0
133.06534	1.1
135.04410	0.9
135.08221	0.8
135.11739	1.1
137.06001	4.1
137.09547	0.8
139.11183	22.4
143.08678	0.9
145.03137	1.8
145.10094	1.4
149.05986	1.6
150.74071	0.8
151.03918	6.2
151.07556	0.9
160.05182	0.8
161.05997	4.8
161.13298	0.8
162.06747	1.6
163.04274	1.1
163.07555	1.9
165.09102	3.4
167.06979	1.0
167.10693	0.7
175.07567	2.5
177.05684	3.1
179.08607	1.1
181.06491	0.9
181.08606	0.9
181.12213	0.9
183.04738	2.1
189.09163	1.1
191.08499	0.9
195.07974	1.1
205.05276	7.6
207.13817	4.4
221.05862	1.4
223.07545	1.4
237.08919	1.7
239.11046	6.8
251.06931	1.8
265.08691	1.8
267.06271	1.1
269.08224	1.3
281.08093	1.2
282.09000	1.2
283.09579	1.4
283.13403	1.1
283.40051	0.9
284.36960	0.8
293.11810	0.9
297.07990	0.8
297.11206	3.1
299.12894	1.6
311.09125	3.1
311.12784	3.2
325.14316	1.7
326.61020	2.0
343.11728	7.9
343.15497	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	343.0212
Annotation	Unknow
Peak:m/z	Relative Intensity
70.13197	3.4
98.21390	1.2
98.97581	16.8
116.98645	7.1
134.99713	1.3
173.92703	1.1
174.97737	1.4
176.97499	1.3
177.00989	7.2
184.11423	1.2
192.98918	1.2
198.97847	2.2
216.93449	1.2
216.95535	2.0
216.98814	12.4
218.98457	4.1
219.02022	9.2
228.29416	1.3
234.96368	2.1
234.99896	12.9
236.00078	1.6
236.99628	4.2
240.98949	9.0
243.02031	1.7
252.97546	1.5
258.96964	2.5
258.99994	37.3
260.00174	2.9
261.00458	2.3
261.03079	13.9
261.05667	1.9
264.99023	3.2
273.98730	2.4
276.97614	5.4
277.01047	14.6
283.00000	98.2
284.00143	6.5
298.98138	1.4
300.97595	14.4
301.01019	100.0
302.01123	4.7
318.98682	18.5
319.02237	4.1
325.01007	16.6
342.98587	5.0
343.02118	65.8
344.02301	1.6
360.99078	7.2
361.03485	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	343.0447
Annotation	Irisoid E
Peak:m/z	Relative Intensity
51.76083	0.2
55.89684	0.2
57.37263	0.2
71.05038	0.7
85.43666	0.3
105.07016	0.3
115.05445	0.4
128.53554	0.3
133.06491	0.4
137.05989	0.3
145.06471	0.6
155.04950	0.6
155.19020	0.3
158.03661	0.4
161.05940	0.9
171.04463	0.5
172.36317	0.3
173.05939	1.3
183.04483	0.3
185.05969	0.4
186.03163	1.5
197.02399	0.4
198.03214	0.7
199.00299	0.3
199.03946	1.1
200.04681	0.4
200.77136	0.3
201.01785	1.1
201.05447	2.0
210.03122	0.3
213.01805	0.3
213.39946	0.2
214.02660	2.8
225.01892	0.3
226.02615	0.3
227.03421	0.5
228.04204	1.3
229.01346	2.3
229.04955	2.2
239.03412	0.3
241.01286	1.7
242.02092	5.3
243.02809	0.3
244.03674	0.3
253.01309	0.3
255.02879	0.7
256.03714	1.0
257.00912	1.8
257.04395	0.8
269.00793	2.9
270.01611	2.8
272.03201	0.9
282.01526	1.2
283.02350	1.2
283.99506	0.4
284.03125	1.3
285.00342	6.4
285.03943	12.1
297.00385	2.1
298.01205	1.5
299.01889	2.9
300.02594	0.5
310.01129	2.1
311.01852	0.5
312.02667	2.2
312.99783	18.0
313.03464	16.3
314.00403	1.3
327.01389	4.9
328.02158	30.7
329.02463	0.5
343.04501	100.0
344.04813	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
53.48063	0.4
55.01859	0.7
55.05513	6.0
56.96553	1.2
59.04996	0.8
65.03911	0.5
67.05497	2.2
69.03423	1.6
69.07052	1.7
70.06585	1.0
71.04977	0.6
71.08633	3.6
71.16647	1.4
72.08150	1.4
73.02903	0.5
76.62759	0.4
79.05491	1.8
81.03415	1.4
81.07046	2.4
82.07391	0.6
83.04983	6.8
84.08202	0.6
85.02891	1.5
86.05571	0.9
86.06075	15.2
91.05479	2.0
93.07034	2.2
95.04993	0.8
95.08603	1.9
96.08130	6.8
98.06051	1.2
98.09698	11.5
98.10327	0.8
98.97569	1.0
99.04430	0.8
99.08102	0.9
101.06036	4.2
101.06625	0.8
105.07025	2.3
107.04982	0.8
107.08588	1.4
108.08105	2.0
109.02921	0.5
109.10139	0.9
111.04455	6.4
114.09205	0.6
116.10737	24.4
116.98676	0.6
119.08582	2.5
121.08912	1.0
121.10155	1.1
121.34200	0.5
122.09683	1.5
124.07597	2.1
124.11234	2.9
129.05434	1.2
131.04951	0.6
131.08534	0.5
133.02832	0.5
133.10175	0.5
134.09647	2.0
135.04408	0.6
135.10521	0.6
136.04782	0.5
136.11215	0.7
137.06017	2.7
137.09602	1.0
138.06320	1.2
142.08653	13.3
142.12196	0.5
143.10675	9.4
145.06468	0.6
145.10081	0.8
147.04367	0.7
151.03897	0.7
151.07526	0.8
152.10634	0.8
155.07016	1.6
161.05995	0.6
162.12805	0.8
164.10715	6.2
167.07092	0.6
173.08032	1.1
174.06696	0.5
180.06526	3.9
180.13860	1.6
182.15440	5.5
184.13330	1.1
188.07918	0.7
189.08968	0.6
190.12282	5.6
196.13228	0.7
198.14948	2.7
208.13326	8.8
212.97636	0.5
214.18042	8.2
218.08911	0.6
226.14395	31.3
236.07884	0.6
237.05438	0.5
244.15459	100.0
245.15704	1.2
249.08958	0.5
275.99936	0.6
282.12143	0.6
310.11673	0.8
312.09494	0.6
324.21683	2.0
342.14105	1.9
342.22775	8.9
343.11731	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53852	1.1
55.05510	10.7
55.31551	1.2
57.03429	1.9
57.07077	14.3
61.02919	2.7
69.03450	4.9
69.57763	7.4
81.03431	3.0
83.08635	3.6
85.02909	18.1
85.89115	1.3
89.06039	43.7
97.02888	5.7
98.20760	2.4
101.09660	18.9
107.07077	42.4
109.02872	1.7
127.03868	1.3
137.05951	1.7
145.04956	2.2
145.12248	1.4
163.13301	100.0
186.46675	1.3
206.05652	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02694	1.3
57.03429	1.7
59.04993	6.0
60.04529	3.6
69.03442	3.2
70.06584	3.2
71.61046	1.6
78.22644	1.3
79.05492	1.9
81.03401	1.7
81.07041	2.3
85.02901	12.9
86.09690	1.9
87.08114	4.7
89.06036	32.4
91.05445	3.2
93.07046	1.7
97.02915	4.1
99.04431	1.5
101.81725	1.6
104.39819	1.8
105.06950	2.1
106.06571	2.0
107.07072	100.0
109.02856	2.0
113.03297	1.5
117.05445	1.3
124.11176	2.0
127.03961	1.6
134.06009	1.6
135.08020	1.9
137.05977	4.4
145.04951	4.0
162.05504	30.8
162.09116	2.0
163.06036	1.9
163.07562	2.3
163.11224	2.6
163.13300	4.9
167.26505	1.4
175.07457	1.7
180.06554	2.3
180.10231	2.0
231.09868	1.5
265.08585	1.6
269.12329	1.6
303.14304	1.7
324.13647	1.5
326.70313	1.3
342.16443	2.0
342.23050	1.6
343.13135	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	342.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23056	0.5
55.05509	5.4
59.04989	0.5
67.05489	1.3
69.03431	0.8
69.07066	0.7
69.67024	2.6
69.67431	0.8
70.06572	1.0
71.08633	4.8
72.08144	1.0
79.05494	1.2
81.03400	0.8
81.07040	2.0
83.04990	6.3
83.08627	0.8
85.02921	0.6
86.05566	1.2
86.06068	18.2
91.05467	1.2
91.13991	0.5
93.07030	1.7
94.06551	0.7
95.04924	0.6
95.08582	1.6
96.08132	6.3
98.06058	1.0
98.09694	11.5
99.08080	1.9
101.06024	4.1
105.03384	0.6
105.07013	0.8
107.08587	1.4
108.08147	1.0
109.10149	1.1
110.09699	0.6
111.04445	7.4
114.09110	0.9
116.10737	25.0
119.08597	2.7
121.08913	0.8
121.10117	1.1
122.09655	0.9
124.07600	1.7
128.10680	1.0
129.05464	1.3
131.08521	0.9
133.10130	0.6
134.09613	0.9
135.10411	1.2
137.05989	1.2
137.09587	1.0
138.09119	0.7
142.08643	11.5
143.10670	8.5
145.10132	1.1
147.04378	0.6
147.07945	0.7
152.10674	0.8
155.06996	1.8
162.12759	1.4
164.10722	5.9
170.15437	1.5
173.08089	1.5
180.06526	1.2
180.13855	2.1
182.15410	6.2
184.13321	2.4
190.12260	4.8
198.14893	3.4
208.13301	8.3
214.18027	5.7
214.21179	0.6
226.14380	33.1
244.15451	100.0
245.15672	1.3
311.08859	0.6
324.21484	1.2
333.69244	0.5
342.14795	2.4
342.22626	7.5
342.27267	0.8
343.07953	0.8
343.11682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	0.3
60.75492	0.3
61.02930	0.4
63.30518	0.4
67.05484	0.5
69.03442	2.0
69.07055	0.6
69.13000	0.4
69.58419	2.3
70.06585	0.6
71.05014	0.4
76.63139	0.3
79.05518	0.5
81.03402	0.9
81.07059	0.8
82.52830	0.4
84.08108	0.4
85.02914	3.4
86.09704	1.3
91.05463	0.6
97.02893	1.0
98.21505	0.4
98.97611	0.6
105.07023	0.6
107.08630	0.7
110.52475	0.3
127.03902	0.7
134.09657	0.8
137.05991	1.1
144.08096	0.5
145.04994	0.5
152.07069	2.4
162.09125	2.8
165.07915	2.6
180.10199	100.0
181.10555	0.8
190.08621	1.1
204.10216	2.0
228.10147	0.4
280.10349	0.5
310.11633	0.5
327.12274	1.1
342.13879	1.2
342.16968	2.4
342.21384	0.5
342.22125	0.3
343.17102	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	8.0
58.40344	1.4
61.02908	1.6
61.36911	1.6
69.03427	4.9
69.07074	1.6
69.48621	3.0
69.49039	8.0
69.55500	1.3
70.06590	3.9
71.04979	2.4
71.08624	5.3
79.05486	2.7
81.03406	1.9
81.07056	13.1
85.02908	14.7
85.06519	2.4
86.09656	2.6
97.02890	2.9
99.08094	21.5
108.08234	1.4
109.06511	18.4
111.05587	9.6
111.06269	2.0
114.22321	1.8
116.25052	1.4
117.09136	100.0
124.11261	2.2
125.07119	4.4
126.05521	3.4
127.03900	2.6
127.04988	2.0
127.07565	48.2
139.05026	17.4
145.04955	2.4
150.09209	3.2
162.09071	1.9
163.09668	23.4
167.11800	8.7
173.57193	1.6
177.33565	1.5
180.10193	4.3
194.98297	1.6
195.11299	34.4
196.11871	1.7
208.22691	1.5
223.10751	3.5
322.99756	1.5
324.15665	10.0
342.15350	17.4
343.13300	3.2
353.30902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00679	0.6
56.96539	1.6
61.02928	0.6
65.06210	0.6
67.05491	0.9
67.78297	0.7
69.03416	1.3
70.06575	1.5
71.60532	0.8
74.60944	0.5
83.04977	0.8
85.02895	2.3
95.04918	0.8
97.02870	0.9
97.98788	0.6
98.97543	0.6
99.04432	0.6
110.07162	1.7
125.07131	0.7
127.03898	2.1
137.02341	1.0
138.05530	2.8
140.10715	1.4
141.11047	1.2
152.07124	0.7
153.01810	2.3
160.60439	0.6
160.61850	0.6
173.13651	0.7
173.20067	0.6
180.06323	100.0
181.04768	0.9
181.06645	1.1
193.80531	0.6
197.97423	0.8
198.06369	0.8
198.96880	1.8
201.00873	0.7
210.13458	1.4
211.94037	1.1
215.97090	1.3
216.98035	1.4
221.08990	0.9
272.97382	0.7
318.98108	1.4
324.23575	2.0
342.00421	1.3
342.11655	27.4
342.15390	2.0
342.24817	0.8
343.00922	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2475
Annotation	5alpha,17alpha-Pregn-2-en-20-yn-17-ol acetate
Peak:m/z	Relative Intensity
53.03944	3.1
55.05518	10.9
56.96562	3.5
57.07073	2.2
65.03954	1.9
67.05510	15.0
69.03432	1.9
69.07061	7.4
69.95005	1.1
70.44434	1.2
71.61317	2.4
73.02911	1.6
79.05494	15.2
81.03384	1.3
81.07059	17.1
83.08621	6.3
85.02926	2.6
91.05473	17.5
93.07052	26.5
95.04982	3.6
95.08609	53.2
97.02937	1.9
97.10168	2.5
98.97564	1.5
103.05426	1.6
105.07037	25.5
107.08599	74.8
109.06503	3.9
109.10156	19.0
111.08105	2.5
117.07001	5.7
119.08588	47.0
121.06533	1.5
121.10153	22.6
123.07992	2.0
123.11711	3.2
129.07007	7.2
131.08568	15.8
133.10139	20.6
135.08083	2.1
135.11659	7.5
137.06020	2.3
140.10724	1.6
142.07805	1.7
143.08556	12.2
145.10143	17.8
147.11714	14.6
149.02351	10.4
149.05881	1.5
149.13264	6.0
151.03908	2.4
151.07544	1.9
153.09071	1.4
155.08565	4.2
156.09425	2.0
157.10150	11.2
158.10878	1.5
159.11684	16.2
161.13277	4.0
163.07550	5.0
163.14807	3.0
165.09036	1.5
169.10135	4.6
171.11697	8.2
173.09692	1.6
173.13257	31.9
173.14667	2.7
175.14838	8.6
177.09192	3.8
181.12292	3.5
183.11699	8.3
185.13255	5.6
187.14833	15.7
189.16383	5.6
196.12558	1.5
197.13222	3.6
199.14832	45.0
201.16422	16.4
210.14078	1.3
211.14799	3.6
213.16437	4.1
215.14371	3.4
222.42932	1.4
225.16382	23.1
227.17947	1.6
229.15944	1.4
231.09061	1.8
231.13864	1.5
233.15384	5.8
239.17973	9.3
245.15331	4.0
247.16946	9.4
253.19501	1.5
254.13217	1.8
269.10629	8.4
271.16879	3.4
285.18539	2.1
287.11679	2.1
291.10138	1.6
295.24207	79.3
296.24576	2.1
313.25311	2.2
323.23636	4.0
341.21353	4.0
341.24774	100.0
342.25146	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	341.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.05518	10.9
56.96562	3.5
57.07073	2.2
65.03954	1.9
67.05510	15.0
69.03432	1.9
69.07061	7.4
69.95005	1.1
70.44434	1.2
71.61317	2.4
73.02911	1.6
79.05494	15.2
81.03384	1.3
81.07059	17.1
83.08621	6.3
85.02926	2.6
91.05473	17.5
93.07052	26.5
95.04982	3.6
95.08609	53.2
97.02937	1.9
97.10168	2.5
98.97564	1.5
103.05426	1.6
105.07037	25.5
107.08599	74.8
109.06503	3.9
109.10156	19.0
111.08105	2.5
117.07001	5.7
119.08588	47.0
121.06533	1.5
121.10153	22.6
123.07992	2.0
123.11711	3.2
129.07007	7.2
131.08568	15.8
133.10139	20.6
135.08083	2.1
135.11659	7.5
137.06020	2.3
140.10724	1.6
142.07805	1.7
143.08556	12.2
145.10143	17.8
147.11714	14.6
149.02351	10.4
149.05881	1.5
149.13264	6.0
151.03908	2.4
151.07544	1.9
153.09071	1.4
155.08565	4.2
156.09425	2.0
157.10150	11.2
158.10878	1.5
159.11684	16.2
161.13277	4.0
163.07550	5.0
163.14807	3.0
165.09036	1.5
169.10135	4.6
171.11697	8.2
173.09692	1.6
173.13257	31.9
173.14667	2.7
175.14838	8.6
177.09192	3.8
181.12292	3.5
183.11699	8.3
185.13255	5.6
187.14833	15.7
189.16383	5.6
196.12558	1.5
197.13222	3.6
199.14832	45.0
201.16422	16.4
210.14078	1.3
211.14799	3.6
213.16437	4.1
215.14371	3.4
222.42932	1.4
225.16382	23.1
227.17947	1.6
229.15944	1.4
231.09061	1.8
231.13864	1.5
233.15384	5.8
239.17973	9.3
245.15331	4.0
247.16946	9.4
253.19501	1.5
254.13217	1.8
269.10629	8.4
271.16879	3.4
285.18539	2.1
287.11679	2.1
291.10138	1.6
295.24207	79.3
296.24576	2.1
313.25311	2.2
323.23636	4.0
341.21353	4.0
341.24774	100.0
342.25146	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	341.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	1.6
57.03407	1.8
57.21160	1.5
61.02935	1.4
65.27069	1.4
67.55394	1.6
69.03432	8.1
69.93201	4.4
69.93609	3.9
70.06573	1.6
71.67234	1.7
72.35732	1.5
79.05491	1.9
79.18151	1.8
81.03426	1.7
85.02898	12.9
91.05483	14.5
93.07041	4.6
95.91371	1.7
97.02905	3.7
98.20721	2.3
99.04483	1.5
103.05399	2.0
105.07033	61.5
107.08545	1.8
109.02840	1.7
109.10165	2.3
115.05489	1.8
119.08578	11.1
121.06496	7.7
127.03908	2.1
128.06236	4.0
131.08562	7.6
132.05739	1.7
133.10133	93.4
135.84834	1.5
137.05963	6.3
143.08543	5.3
145.04980	1.8
146.07262	12.5
148.72281	1.6
161.09625	100.0
179.10686	7.1
203.07144	1.8
291.10101	2.1
323.12698	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1574
Annotation	His Gln Gly
Peak:m/z	Relative Intensity
50.52520	0.3
58.32835	0.4
69.03407	0.5
69.30339	3.1
70.06595	0.6
79.05508	0.4
81.03489	0.3
81.07058	0.6
82.63136	0.3
83.04977	0.4
84.08163	0.4
85.02916	0.6
86.09702	0.4
89.24014	0.3
91.05477	1.0
95.04951	0.4
97.02859	0.4
98.97587	0.4
105.07014	0.9
107.04955	0.5
107.08620	0.4
109.06529	0.4
119.08588	0.6
122.03658	0.5
129.07022	0.9
131.04871	0.5
133.06467	0.4
133.10136	0.5
137.05992	5.3
140.10721	0.6
147.04427	0.5
151.03917	1.0
151.07535	0.4
157.06477	0.6
161.05989	1.4
162.03702	0.4
167.07135	0.9
168.17766	0.3
174.06880	0.5
175.07599	0.8
179.07039	1.1
179.10497	0.9
180.04861	0.6
187.07539	1.5
189.09158	0.9
203.08524	0.5
207.08081	0.4
217.08617	0.8
219.08113	0.4
221.09612	0.4
231.08002	0.5
279.10379	0.6
291.09961	0.8
309.11203	1.3
323.12869	0.5
323.23322	0.5
341.15759	100.0
342.16165	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1021
Annotation	Hyperione A
Peak:m/z	Relative Intensity
53.00301	0.6
53.03936	1.4
55.01868	2.3
55.05518	2.4
56.86590	0.4
56.96577	2.7
57.03426	1.3
61.02919	0.6
65.03937	3.6
67.05509	7.4
68.99783	2.1
69.03113	0.6
69.03437	5.9
69.07078	3.1
71.01357	0.6
71.04986	1.7
71.62079	0.7
73.02948	0.4
79.05501	7.5
81.03414	8.6
81.07059	9.7
83.04982	4.3
83.08622	1.6
85.02897	2.0
85.06537	1.0
88.56945	0.4
91.05472	6.6
93.07043	6.3
94.06560	1.4
95.01328	2.0
95.04976	3.4
95.08616	6.9
97.02885	2.8
97.06527	1.9
97.10146	0.7
97.36980	0.5
99.04465	1.6
99.08063	0.6
103.05457	1.7
105.03375	0.7
105.07035	7.0
107.04970	2.3
107.08599	3.7
108.08165	0.4
109.02893	2.7
109.06559	2.5
109.10157	2.0
111.04456	1.0
111.08095	0.9
115.03937	0.4
115.05473	2.2
117.07016	2.4
118.94303	0.5
119.04994	0.7
119.08586	4.9
121.02867	1.4
121.06495	2.1
121.10143	1.9
122.03722	0.5
122.06010	1.2
123.04449	1.0
123.08060	1.9
123.11776	0.6
125.02395	0.6
125.06032	0.6
127.03856	2.2
129.07002	2.5
131.04947	1.6
131.08574	2.1
133.02832	1.4
133.06505	2.1
133.10152	2.5
135.04420	37.2
135.08055	1.7
135.11700	1.1
137.05971	5.9
137.09608	1.1
139.03903	0.8
140.10696	1.2
141.07002	1.6
143.04942	1.0
143.08577	1.3
145.06499	1.7
145.10138	1.7
147.04410	0.6
147.08075	1.1
147.11697	1.2
149.02348	100.0
149.06027	1.3
149.13284	0.6
150.02725	0.8
151.07565	3.7
153.05487	0.5
155.10623	0.5
157.06551	0.6
157.10136	1.1
159.04506	0.8
159.08086	1.5
159.11687	1.8
161.05968	2.0
161.09621	1.3
161.13234	2.5
163.03799	0.8
163.07516	1.2
164.08351	0.6
165.09134	0.7
167.07069	2.1
171.11696	0.8
173.06018	1.5
173.13254	0.9
175.03966	0.5
175.07562	0.8
175.11203	0.5
177.05571	0.6
177.09180	0.7
177.12752	0.5
179.05388	1.0
179.07069	0.5
179.08585	1.0
179.14346	1.3
183.11810	0.7
185.13216	0.5
187.07532	3.1
189.05458	1.7
189.07065	0.7
189.09047	0.8
189.12761	0.5
193.10170	0.5
197.06009	2.1
201.05513	1.4
202.07613	0.5
205.06563	0.7
206.07289	0.5
207.13870	0.8
209.15350	0.7
210.04459	0.7
217.08681	1.0
218.07391	0.5
219.13841	0.5
221.09648	0.6
225.14861	0.8
233.05974	0.5
235.07489	1.2
237.08989	0.9
237.14896	1.6
239.90135	0.5
245.15384	0.5
248.08289	0.8
249.09125	0.9
251.07089	1.2
251.16360	1.0
253.08463	0.5
263.16449	1.0
264.57712	1.3
265.08606	1.4
266.09335	0.6
273.58182	1.1
277.08820	1.0
277.18069	0.7
279.10110	0.6
281.08148	1.7
281.11758	1.4
287.16574	1.7
288.58917	0.5
291.10138	1.5
293.17374	0.8
294.09003	0.8
295.09573	2.1
305.17471	4.2
309.11221	2.3
311.09189	2.5
313.10284	0.5
317.66766	0.9
323.09238	5.9
323.12766	0.9
323.18607	5.5
323.23737	0.8
325.10648	0.5
341.10156	4.5
341.13916	3.6
341.19974	1.4
341.24609	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.087
Annotation	AESCULIN
Peak:m/z	Relative Intensity
53.03948	0.3
55.05518	0.3
56.96564	0.4
57.03436	0.6
59.04990	0.3
61.02929	0.6
69.03428	1.5
69.20202	0.3
70.06599	0.6
71.04984	0.3
73.04769	0.7
74.21275	0.3
79.05430	0.3
81.03407	0.8
84.08095	0.3
85.02914	2.8
89.03893	0.4
93.07034	0.6
95.04954	0.6
97.02888	1.3
98.21507	0.7
98.97585	0.4
102.24643	0.3
105.03378	0.4
107.05006	0.4
107.08587	0.4
109.02887	0.5
111.05579	0.6
117.03387	0.4
117.53638	0.3
123.04435	10.5
125.09650	0.7
126.09978	0.3
127.03897	0.7
133.02856	8.7
135.04419	1.8
137.05977	1.8
139.03943	0.4
140.10620	0.5
143.10696	1.0
144.10985	1.1
151.03932	3.2
161.02356	0.7
161.08252	0.3
168.26262	0.3
175.07635	0.4
179.03400	100.0
180.03725	0.4
217.08597	0.4
219.08133	0.6
249.09026	0.3
291.10165	0.6
323.12708	0.7
323.16205	0.4
341.08578	1.1
341.12177	3.4
341.17236	0.6
342.15164	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59539	2.1
53.01171	2.0
54.44213	2.2
55.05507	8.6
57.03429	7.0
59.05007	4.6
69.03426	7.2
69.07066	4.8
70.84467	5.3
71.04986	7.8
73.17291	2.2
79.05483	4.7
81.07069	5.0
83.04969	3.3
85.02903	9.2
86.09715	2.6
97.02922	3.4
97.06525	6.7
97.10189	3.2
107.08582	4.6
107.74564	2.2
125.09636	48.8
143.07011	4.2
143.10677	100.0
146.11688	2.4
153.01920	2.4
155.67906	2.4
161.08052	2.9
178.04741	2.8
178.08502	2.2
179.03381	7.3
218.39978	2.7
340.10349	2.9
340.13766	27.7
340.17383	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	340.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.1
55.05507	3.9
55.16933	1.0
57.07056	1.3
67.05501	4.5
69.03421	1.5
69.07071	11.1
70.46984	3.0
71.04993	11.7
79.05505	11.3
81.07053	3.2
83.04974	4.2
83.08614	1.2
85.06553	8.1
86.09708	100.0
91.05492	10.5
93.07053	12.3
95.04955	3.0
95.08569	1.2
97.06487	1.0
99.08075	2.0
100.11269	8.6
105.07039	13.6
107.04939	4.8
107.08605	15.3
109.02871	1.1
109.06501	3.2
109.10149	1.0
111.04462	4.9
117.07007	6.4
119.04924	1.1
119.08588	8.6
121.06524	5.9
121.10136	9.0
123.04423	1.7
123.08130	1.5
128.10719	4.1
129.07022	3.7
130.07779	2.0
131.08575	20.1
132.10208	29.1
133.10091	1.9
135.04410	2.4
135.08066	2.2
135.11684	2.0
137.06015	1.6
137.09639	4.0
145.06451	2.3
145.10141	14.8
147.08072	4.8
147.11687	2.5
149.05988	2.4
149.09627	41.1
150.12698	1.1
155.08525	1.2
161.09720	1.1
163.07549	2.6
163.11192	15.8
165.09167	5.3
165.12744	2.1
167.06970	1.7
167.10692	48.2
173.09637	5.6
177.05545	2.2
178.05894	1.3
182.15456	2.0
190.12148	1.2
191.10681	32.4
206.15450	2.3
209.11737	37.5
209.16438	1.9
210.14941	8.1
227.17529	1.7
235.19350	1.0
238.14423	2.4
252.16002	1.5
256.15320	1.7
258.18619	2.9
276.19617	16.5
276.72739	2.7
294.20612	10.6
304.19049	1.9
308.09897	1.1
322.20120	13.9
340.12756	2.1
340.21173	11.1
343.30728	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.9
55.01875	0.6
56.96560	0.6
57.03439	3.4
61.02937	1.4
62.39192	0.5
69.03429	7.3
70.06569	0.7
71.01355	0.9
71.04984	1.9
73.02921	1.2
75.04485	1.2
75.59698	0.7
81.03436	1.1
84.65563	0.6
85.02893	0.8
88.77386	0.6
91.05470	1.0
97.02894	0.7
98.20722	1.6
99.04448	2.5
100.09626	0.5
110.06046	0.7
117.03417	0.8
117.05463	0.6
124.11214	0.8
127.03922	0.7
127.45275	0.6
131.04944	1.1
145.02841	1.7
146.22058	0.6
147.04404	0.9
147.07925	2.3
147.09198	1.6
153.01840	1.1
160.05267	0.6
160.08603	0.6
161.09503	2.6
162.10272	31.0
163.08630	1.0
165.66406	0.6
173.05896	1.7
174.10287	1.7
175.08606	1.4
175.11201	0.8
177.04012	1.1
177.05473	9.3
186.10268	1.7
188.08203	64.3
195.10129	0.6
198.10271	1.4
200.11810	1.3
204.11327	1.7
206.09276	1.2
212.11919	0.7
229.08980	0.7
230.12907	1.1
278.14993	7.8
296.16034	10.5
304.12976	1.7
307.60104	0.6
322.13986	100.0
339.16702	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	339.1227
Annotation	Demethoxycurcumin
Peak:m/z	Relative Intensity
53.03946	2.3
53.71416	1.3
55.01877	1.4
55.05496	1.5
65.10758	1.4
67.05511	1.7
69.03423	1.8
69.07070	2.1
75.52375	1.1
77.03916	1.5
79.05484	5.3
81.03420	3.2
81.07050	3.4
83.04951	1.4
89.03905	1.4
91.05486	4.8
93.07059	3.3
95.04980	3.2
95.08612	2.8
97.02893	1.7
103.05469	4.6
105.03413	1.7
105.07033	9.0
107.04929	1.5
107.08601	1.7
109.02882	1.4
109.06519	1.4
115.05459	4.4
117.06998	3.0
118.48874	1.2
119.04931	1.7
119.08575	5.7
121.10133	2.3
123.11683	1.8
127.03941	1.6
128.06213	2.5
129.07001	2.1
131.04947	3.9
132.05688	3.9
133.06476	3.4
133.10146	2.1
135.04422	100.0
137.06001	2.3
145.02873	3.1
145.06479	1.7
145.34146	1.3
147.04376	2.5
147.08044	4.3
147.11649	1.4
149.05998	1.9
155.04927	1.3
159.04446	3.1
159.08060	2.7
160.05209	3.5
161.05997	10.6
167.07039	1.6
175.07550	36.7
177.05464	6.0
177.06870	1.2
178.07872	1.3
187.07542	8.9
189.06947	2.4
190.07768	5.4
191.08565	16.1
199.07596	3.9
202.07793	6.4
203.08591	8.8
205.06422	1.5
218.07248	2.3
219.08078	17.5
220.08730	1.7
231.08109	8.5
235.07486	1.7
246.06799	1.3
247.07532	9.4
248.08270	3.2
249.09071	15.7
251.10805	3.0
259.07422	6.2
260.08215	1.5
261.09152	2.9
263.07092	1.4
265.08575	2.0
277.08591	12.5
278.09311	1.6
279.10233	5.3
289.08585	5.8
290.09351	4.6
291.10120	2.6
306.08969	2.2
307.09763	5.4
309.11206	14.6
311.12814	2.0
321.11340	5.7
339.12311	12.4
339.23267	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1554
Annotation	Nicotine glucuronide
Peak:m/z	Relative Intensity
56.96569	0.8
63.13685	0.5
69.03429	1.2
70.06581	0.6
71.04976	0.6
71.60648	0.8
77.92166	0.4
81.03425	0.9
84.08113	0.5
85.02892	1.6
97.02891	0.9
98.97585	1.5
103.96387	0.5
113.05943	0.6
127.03894	0.9
130.08618	0.6
133.07629	4.6
141.05522	0.9
149.06023	1.0
149.07111	1.5
153.01813	1.7
159.06631	0.9
160.06871	0.9
161.07120	40.8
162.07816	1.8
165.01831	0.8
173.07108	1.0
173.10767	1.7
175.08670	3.7
176.06967	0.6
177.05301	0.7
177.06602	1.7
178.12294	0.9
187.08609	1.2
187.12277	1.7
188.13080	1.6
189.06535	1.0
189.10159	1.8
191.08133	2.5
200.09441	2.5
201.10228	9.9
202.10986	1.2
203.03539	1.2
203.08203	1.8
203.11807	1.0
205.09648	0.7
207.11302	15.5
213.10229	1.2
214.11046	2.2
215.08167	1.7
215.11809	4.0
216.12598	1.8
218.10501	1.6
219.02943	1.1
219.11305	4.7
220.12114	2.5
221.12833	1.5
223.02303	0.6
227.08125	0.9
229.09898	2.7
229.13377	9.0
232.11890	0.7
233.09256	2.7
233.12839	5.2
234.13638	1.8
237.02797	0.7
239.08009	1.0
239.11719	0.6
243.07320	0.6
244.12088	0.6
245.09232	6.4
245.11606	0.6
245.12840	0.7
247.02441	1.9
247.10805	1.3
247.14484	6.8
248.11673	0.8
257.09229	5.3
257.12851	8.8
261.12256	0.6
262.13284	0.7
265.11807	2.0
272.53574	0.6
275.01923	0.8
275.10284	4.5
275.13879	10.8
277.03299	0.5
277.15378	1.4
285.12320	3.6
293.02789	1.6
293.05902	0.7
293.11246	1.5
293.14948	5.7
303.01270	0.7
303.13443	13.9
321.14481	38.2
322.14417	0.7
339.11786	37.0
339.15512	100.0
340.15915	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1227
Annotation	Vitrofolal A
Peak:m/z	Relative Intensity
53.03932	7.9
55.01855	5.2
55.05500	16.4
56.96563	14.1
57.07058	12.0
66.41108	4.1
67.05502	28.7
69.07075	34.4
71.04984	13.5
71.08598	4.5
71.62078	6.0
73.02922	5.4
79.05480	12.8
81.03402	8.2
81.07059	61.7
83.04987	6.1
83.08609	13.6
85.02923	5.5
85.06529	10.1
91.05466	12.2
93.07050	21.8
95.04966	11.3
95.08607	47.5
97.02881	6.8
97.06552	4.9
97.10157	11.0
98.97601	10.6
103.05456	4.4
105.03397	5.4
105.07037	16.9
107.08596	19.5
109.02856	5.7
109.06503	9.0
109.10165	33.7
111.11747	8.6
115.05500	6.2
119.08601	16.5
121.10141	11.7
123.11718	15.1
127.03928	4.6
129.06998	13.2
131.04903	8.9
131.08595	5.9
133.02809	7.9
133.10133	12.6
135.04422	96.6
135.11710	11.2
136.07588	6.8
137.05984	56.4
137.13214	8.1
143.08493	7.7
147.11687	11.6
149.02370	6.9
149.05995	11.5
149.13199	6.0
151.03932	6.2
151.07513	5.2
151.98424	5.0
157.06502	7.2
161.05972	9.3
161.90416	4.5
163.11108	4.8
165.07039	4.7
173.05969	19.6
174.06784	11.4
175.07567	11.5
176.07121	6.3
177.05478	15.7
185.05956	9.8
187.07570	33.5
189.09076	9.3
190.07768	7.4
191.08522	6.8
202.07863	5.4
203.08568	27.4
205.06468	6.2
207.08179	6.9
209.05968	18.8
211.07547	13.9
217.08588	12.6
218.07230	7.5
219.08043	17.4
220.05258	6.5
225.05440	10.7
231.08057	31.6
232.08792	8.2
233.05997	6.7
234.06799	5.0
235.07497	20.0
236.08269	7.6
237.05377	11.7
237.10225	10.0
238.06219	13.6
238.10945	10.7
239.06995	6.7
246.06740	7.2
247.07559	16.7
248.08316	14.7
249.09233	8.5
251.10823	8.2
253.05069	6.4
254.05713	14.2
259.07529	6.7
261.09131	14.1
263.06915	20.9
263.10645	16.2
264.07809	6.3
265.08643	8.8
268.07327	18.4
269.08118	42.3
274.97598	6.0
275.07065	10.4
276.07928	8.9
277.08963	15.1
278.05829	10.7
279.11331	82.3
281.08133	14.8
289.08609	42.9
291.06836	7.4
291.10114	28.2
293.08060	19.5
293.12701	5.1
295.09631	8.6
297.12289	9.4
306.08734	7.8
307.09607	17.6
309.11163	16.3
311.12991	13.3
321.07526	30.3
321.11414	49.6
321.17987	4.6
321.27887	12.6
339.12616	100.0
339.17798	9.3
339.22870	13.1
339.28610	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	339.1076
Annotation	alpha-Hydrojuglone-4-glucoside
Peak:m/z	Relative Intensity
53.03954	0.9
55.01870	0.5
55.52498	0.3
57.03448	0.8
60.12761	0.3
61.02919	0.4
63.02367	0.5
67.05508	0.5
69.03431	9.3
69.07075	0.4
69.40445	1.6
69.40871	1.1
71.04990	0.6
73.02920	0.4
78.04707	0.5
81.03419	8.8
81.07071	0.5
83.05000	0.3
85.02905	3.1
89.03915	7.6
89.35146	0.3
91.05499	0.6
93.07041	0.8
97.02903	1.2
97.06524	0.3
98.97639	0.3
99.04468	1.3
102.47635	0.3
103.05486	0.4
105.07026	0.9
106.04173	0.7
107.08582	0.7
109.02876	3.2
109.06473	0.4
117.03380	22.9
119.04951	0.4
121.10143	0.3
125.09766	0.3
127.03918	4.3
129.07019	0.3
134.03645	1.8
135.04413	1.2
137.05968	0.8
139.55406	0.2
145.02847	56.7
146.03229	0.5
149.05980	8.6
151.03856	0.4
159.49257	0.3
162.03078	0.4
163.03914	0.9
165.09091	0.3
167.07042	0.3
177.05469	100.0
178.05762	1.4
186.05464	0.8
195.06586	1.5
216.10194	0.4
231.06625	0.5
237.61256	0.3
261.07529	0.6
265.08698	0.3
277.08603	0.3
279.10281	0.4
307.09494	1.1
311.12753	0.4
321.09695	9.6
339.11942	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0864
Annotation	Ovalitenone
Peak:m/z	Relative Intensity
51.02384	0.4
53.00295	0.4
53.03922	0.3
55.01871	1.3
55.05513	0.5
56.96563	0.6
65.03940	5.6
67.05488	0.8
68.99790	1.9
69.03417	0.6
69.07056	1.0
69.51048	1.7
71.04961	0.3
79.05488	0.9
81.03413	0.7
81.07059	1.4
83.04969	0.3
83.20789	0.3
85.02902	0.4
89.03947	0.3
91.05482	0.9
93.03407	2.6
93.07039	0.9
95.01336	1.8
95.04973	0.7
95.08603	1.2
97.10214	0.3
98.97585	0.6
103.05463	2.2
105.03387	0.3
105.07029	1.3
107.08595	0.8
109.02872	0.6
109.10144	0.7
111.04437	3.5
115.05493	0.4
117.03376	0.4
119.08578	0.6
121.02834	1.3
121.06477	0.5
121.10144	0.5
123.04430	3.6
125.02382	0.4
129.06905	0.3
131.04927	4.5
131.08562	0.5
133.10092	0.6
135.04422	7.3
137.02341	0.4
137.05954	0.7
139.03906	1.1
145.02827	0.7
145.10120	0.3
149.02342	100.0
149.13228	0.4
150.02699	0.7
151.03902	10.6
159.04427	1.1
159.11708	0.4
161.05988	5.9
165.07040	0.6
171.11681	0.3
177.05473	1.2
177.06934	0.6
187.03865	0.5
187.07452	0.4
189.05470	8.1
193.06505	0.4
205.06525	0.8
207.06441	0.4
217.04945	5.4
219.08035	1.2
221.05971	0.6
223.07539	0.9
233.06026	0.5
235.07542	1.3
247.07581	0.8
249.05539	0.3
251.07040	2.5
251.10762	0.3
261.08987	0.3
263.06946	1.9
264.07938	0.6
275.06808	0.3
277.08466	0.3
278.09213	0.4
279.06549	1.1
279.10446	0.8
281.08170	0.5
291.06567	0.8
293.07971	0.7
296.10544	0.3
307.09784	1.3
308.06879	1.9
308.10025	0.5
309.07617	2.8
311.12805	0.8
312.33188	0.3
321.07388	0.3
324.10010	0.4
339.08649	29.0
339.12366	3.9
339.23135	0.9
340.08881	0.5
363.83618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.1
55.01847	2.1
55.05499	1.2
56.05011	1.6
56.96546	2.3
57.03415	1.6
60.04511	1.2
60.95839	0.6
61.02932	3.8
67.05489	2.0
69.03439	8.2
69.07080	2.8
70.03001	1.1
70.03411	1.8
70.06563	1.5
71.05001	2.8
72.08144	1.6
73.02905	1.5
79.05480	1.2
81.03428	4.1
81.07060	17.2
83.04958	1.3
84.04489	1.0
84.08123	1.3
84.96037	0.9
85.02422	1.1
85.02910	19.0
85.06521	1.7
87.04457	1.6
91.03929	1.1
95.08044	1.1
95.08611	14.4
97.02891	8.3
97.06522	1.5
98.06059	10.4
98.09695	1.0
98.21497	0.6
98.97579	2.9
99.04483	3.0
99.08063	0.7
109.02852	1.7
110.06026	1.1
112.07574	1.2
112.11246	0.9
115.07544	2.4
116.07098	7.9
116.98578	0.9
123.08076	21.9
124.07548	1.0
127.03932	3.9
140.07043	0.7
140.10674	2.7
141.05463	1.0
141.09113	16.2
145.04968	1.8
152.07086	0.9
153.01884	4.4
158.08241	0.8
158.11768	3.7
158.15393	1.2
159.10159	0.7
160.09711	1.7
176.12831	100.0
176.16396	2.4
182.99667	0.6
191.03734	0.7
202.06030	0.9
218.13889	1.0
223.06630	0.6
230.03432	1.1
232.04961	0.7
244.11787	1.2
262.12970	2.8
276.04160	0.7
280.14001	3.8
302.16119	1.3
320.17142	2.5
338.18158	42.6
338.21783	3.7
339.05814	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0864
Annotation	Antibiotic WS 5995B
Peak:m/z	Relative Intensity
53.15507	0.8
55.05506	1.8
56.74617	0.8
56.96563	1.4
57.03432	1.0
67.05506	3.0
69.03426	2.7
69.07064	2.4
70.14177	3.4
79.05485	2.8
81.03426	1.9
81.07064	6.1
83.04974	1.8
83.08622	1.5
85.02912	2.0
85.06549	0.9
91.05482	2.7
93.07047	3.4
95.05011	1.0
95.08616	3.8
97.10210	1.1
98.97631	1.8
105.07016	3.0
105.66228	0.8
107.04964	1.0
107.08588	2.7
109.02925	0.9
109.10170	1.5
116.98602	1.4
117.07010	1.2
119.08576	2.1
121.10152	1.3
123.08007	1.2
127.03905	1.3
130.90558	0.9
131.08569	1.2
133.06519	1.1
133.10164	1.5
135.04395	4.4
137.05956	1.8
145.01512	0.8
145.10112	1.4
147.11685	1.6
149.02335	6.7
149.13297	1.1
157.10088	1.1
159.11729	1.4
161.05983	1.1
165.06921	2.0
165.12729	0.8
166.07835	1.6
168.05853	1.4
171.11699	0.8
175.11208	1.1
176.06226	1.5
177.05484	2.7
177.07043	2.6
178.07780	5.5
179.08588	5.4
187.07581	1.1
189.05495	0.9
189.07030	3.4
190.07829	1.3
191.08569	1.1
192.05693	8.5
193.06529	1.6
194.07341	1.0
195.08163	0.9
197.15439	1.0
204.05716	2.0
205.06377	4.7
206.07269	2.9
207.06363	0.6
207.08072	12.2
211.07524	1.2
217.06516	3.5
218.07195	0.9
219.08069	1.6
220.05199	21.6
221.06018	2.8
222.06773	4.4
232.05109	1.4
233.05998	2.8
234.06781	2.0
235.07541	43.0
236.08150	2.3
237.09111	1.2
241.08836	1.6
245.05847	1.1
247.07703	2.4
248.04707	5.3
249.05531	2.0
250.06235	5.9
251.06949	1.1
261.05161	1.2
262.06323	3.3
263.07043	39.7
264.07861	2.3
265.08685	3.4
275.06946	1.2
276.04004	0.8
276.07809	4.7
277.05023	2.2
278.05768	19.1
278.08850	1.3
279.06442	3.5
279.10001	1.0
291.06509	2.5
292.07474	1.2
292.98569	1.6
293.08081	40.2
296.10468	1.1
297.07669	1.8
306.05301	10.2
307.09680	3.9
309.11127	1.3
311.09131	4.3
311.12750	2.4
316.08069	0.8
321.07593	100.0
322.08093	1.5
339.08588	9.0
339.12329	8.6
339.17850	5.6
339.23242	1.9
341.15692	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	2.1
55.01877	2.0
55.05512	35.3
56.96563	1.0
57.03439	23.8
57.07077	5.5
59.05000	0.4
65.03947	3.0
67.05505	84.7
69.03429	0.6
69.07069	48.2
71.04992	2.3
71.08633	2.6
71.62249	0.5
73.06541	0.4
77.03907	0.4
78.07685	0.4
79.05496	20.8
81.07059	78.0
82.07409	0.4
83.04980	2.7
83.08623	21.1
85.06541	2.5
85.10162	0.9
87.64095	0.4
91.05479	14.3
93.07044	20.3
95.04969	1.7
95.08607	58.7
96.08964	0.4
97.06536	5.2
97.10171	12.5
97.99236	0.4
98.97624	0.4
99.08118	1.8
103.05449	0.4
105.07034	9.3
107.08594	10.5
109.06527	0.7
109.10155	23.3
111.08069	3.0
111.11713	2.2
113.09688	0.8
116.98627	0.4
117.06973	0.5
119.08580	9.1
121.10152	8.1
123.08071	1.3
123.11713	8.8
125.09612	1.8
127.11172	0.7
129.01028	0.5
129.06967	0.4
131.08578	0.7
133.10129	7.5
135.04393	0.7
135.11694	6.3
137.09605	1.3
137.13243	3.4
139.00600	1.1
139.11246	0.8
141.01036	0.4
145.10191	0.5
145.15906	0.4
147.11676	4.3
149.13272	3.3
151.11174	1.2
151.14792	1.8
152.06219	1.0
153.06967	0.8
153.12746	1.0
159.11708	0.7
161.13268	4.7
163.14845	2.6
165.12807	0.8
165.16257	0.5
167.14262	0.5
171.54826	0.3
175.14841	3.4
177.16411	1.1
179.14282	0.8
181.06534	0.9
183.11775	0.3
187.03200	0.8
188.03839	3.6
189.16385	1.4
193.15904	0.4
207.17366	0.6
212.97473	0.4
215.02666	0.4
223.00650	2.1
245.22649	2.0
251.00264	29.7
252.00620	1.1
263.23734	4.0
279.21149	0.5
291.03317	1.0
337.03976	3.6
337.27374	100.0
338.27579	1.0
346.26138	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1235
Annotation	Indole-3-acetyl-beta-1-D-glucoside
Peak:m/z	Relative Intensity
50.35132	0.2
54.87928	0.2
56.96552	0.5
57.03434	0.2
69.03404	0.2
70.72800	0.4
70.73178	0.3
72.08139	0.3
73.02907	0.2
79.01855	0.3
83.08971	0.2
85.02896	0.6
86.09687	0.2
89.20394	0.2
89.94012	0.2
99.08107	0.3
99.42976	0.2
112.53105	0.2
116.98576	0.2
120.08096	0.4
130.06523	1.7
132.04443	0.5
135.22319	0.2
141.09103	1.2
142.97337	0.2
148.07570	1.6
152.16249	0.2
153.01836	1.6
154.02225	0.3
158.06017	3.5
176.07074	100.0
177.07414	1.0
178.04980	1.6
206.04471	2.9
270.17300	0.2
277.03534	0.4
278.03793	0.3
303.01172	0.3
338.02054	0.3
338.12378	3.5
338.16180	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.2
56.96570	6.4
59.47113	0.7
65.24117	0.6
66.12564	0.6
69.03405	1.0
69.07096	1.0
70.06599	1.3
70.59503	1.6
70.59875	1.2
72.07742	1.2
72.08154	20.6
79.01870	1.1
79.05481	1.5
81.03394	2.0
81.07040	1.1
83.04960	0.7
84.08150	10.4
84.96028	1.4
85.02903	1.0
86.06087	1.0
89.03915	5.5
91.05465	1.5
95.04959	0.8
95.08567	0.9
97.02900	2.1
98.97569	1.9
102.05583	0.7
103.05450	0.7
105.17905	0.6
107.04952	1.9
109.02905	1.5
117.03381	27.5
119.36736	0.7
124.11258	0.8
127.03922	3.5
128.98615	1.0
131.04936	1.1
133.02859	1.7
134.03624	1.4
135.04419	1.7
143.03391	0.7
144.10211	11.8
144.13754	1.3
145.02846	76.1
147.04402	1.2
149.05995	9.0
151.03871	0.7
153.01840	10.6
153.02991	1.4
161.02364	1.5
161.12866	21.3
162.19885	0.7
163.03894	4.6
173.01172	1.0
175.03789	1.0
175.08600	0.8
176.07056	1.6
177.05467	100.0
178.05887	1.2
179.03502	1.4
182.99599	0.7
186.05479	1.0
187.10783	1.6
189.01880	1.6
191.03394	1.9
191.07014	0.8
198.00061	1.3
201.00739	2.5
207.02930	2.6
217.01320	2.1
219.03181	3.3
221.00945	1.1
230.01622	1.1
231.02943	1.9
233.04472	0.8
234.11198	2.5
235.02368	5.8
239.02094	0.8
245.00446	2.3
247.02307	2.6
248.12845	4.4
249.03885	1.2
257.00766	2.1
259.02432	3.0
263.01361	1.4
263.05368	0.7
273.00211	1.6
275.01761	2.1
277.03448	8.7
277.15421	1.9
278.03735	1.4
291.01135	1.0
301.11676	0.9
303.01395	5.0
304.01852	0.9
304.99628	1.5
319.01016	1.6
319.04361	0.8
319.12674	1.8
337.01819	7.4
337.14233	2.1
337.17545	39.8
337.21310	8.9
351.00290	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16542	0.5
55.01883	0.5
55.25202	0.4
56.06305	0.4
56.96570	1.5
67.38135	0.4
69.49075	3.4
72.08157	10.4
78.06738	0.4
81.03419	0.5
84.08147	4.6
85.02933	0.8
89.03923	5.8
91.05488	1.0
94.06570	0.6
97.02883	0.4
97.06606	0.4
101.99235	0.4
103.05441	0.5
106.04159	0.4
106.27764	0.5
107.05010	0.7
109.02999	0.5
117.03378	22.0
122.06046	0.6
127.08695	1.0
130.41615	0.4
130.43463	0.4
133.02940	0.5
134.03639	0.8
135.04422	0.9
140.07057	0.4
143.11850	0.7
144.10196	7.2
144.13852	1.2
145.02846	65.7
147.04395	0.6
149.05977	7.4
151.45386	0.5
153.01823	1.6
158.06015	0.5
161.02292	0.7
161.12857	14.2
161.16563	0.5
162.03064	0.5
162.05569	0.5
163.03900	2.4
165.01761	0.5
176.07076	1.1
177.05469	100.0
186.05537	0.5
187.10791	1.9
189.01831	0.7
191.03410	0.6
207.02888	1.3
217.01334	1.1
219.02939	1.2
231.02832	0.6
234.11218	1.5
235.02344	2.1
245.00772	0.7
247.02356	0.8
248.12787	5.7
259.02417	0.7
273.00317	0.8
273.08548	0.6
274.35510	0.4
275.01889	1.2
277.03387	1.3
277.15503	2.1
291.13385	0.8
303.01288	1.4
319.12802	1.0
337.01962	2.6
337.17511	34.3
337.21259	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	337.1071
Annotation	(+)-Hatomarubigin A
Peak:m/z	Relative Intensity
51.02372	1.5
53.03937	1.8
55.05503	2.5
56.96563	1.6
60.72041	1.2
60.94987	1.1
65.03947	1.4
67.05497	3.4
67.18192	1.1
69.03440	2.1
69.07070	2.5
69.34382	11.3
71.05007	7.6
79.05490	5.6
81.03426	2.2
81.07053	5.2
83.04960	2.2
85.02922	1.2
91.05479	5.6
93.07014	2.3
95.04956	2.1
95.08611	6.3
98.97543	1.9
103.05478	3.1
103.06128	1.2
105.03420	2.0
105.07038	2.8
107.08585	4.1
109.06477	1.3
109.10171	3.1
111.04448	1.5
115.05385	2.1
117.07010	3.3
119.04903	1.7
119.08578	4.1
121.10122	1.6
122.31609	1.1
123.04494	2.2
123.11678	1.7
127.03873	1.5
127.05486	1.2
128.06206	3.9
129.07004	23.4
131.04959	2.3
131.08626	1.7
133.02853	2.6
133.10086	2.3
135.04422	100.0
137.05956	1.6
139.05444	1.4
143.04854	1.5
145.06445	1.9
147.04401	4.0
147.11746	1.5
149.02354	6.2
149.05966	8.3
151.03952	2.1
153.06981	2.8
157.06511	11.5
157.10226	1.5
159.04378	2.0
161.05974	2.7
163.03896	4.0
167.04933	1.8
173.05981	13.3
174.49826	1.4
175.03893	3.2
175.07547	2.8
177.05457	2.8
177.06924	1.8
178.07742	2.8
179.08351	1.3
181.06343	1.5
185.05991	46.2
185.07663	2.7
187.07561	17.6
187.14798	1.4
189.05478	1.9
189.06979	1.8
190.07776	3.2
191.08571	7.8
197.05984	6.7
202.07765	7.5
203.08571	33.6
205.06482	3.3
207.08202	1.7
209.06004	19.6
215.07024	25.1
218.07201	3.4
219.08058	14.8
221.06042	1.7
223.07513	1.7
225.05518	1.4
231.08060	30.1
233.06129	1.3
233.09555	2.4
234.06673	3.8
235.07474	3.3
237.05409	11.0
246.06801	11.5
247.07491	8.0
249.09070	18.7
259.07516	8.0
261.05338	1.3
261.05920	1.6
261.09109	30.6
262.06244	5.3
263.07175	3.0
266.05728	14.4
267.06543	29.3
274.06281	4.6
276.07883	2.2
277.08606	19.2
279.06531	11.4
281.08221	1.2
284.44965	1.3
289.08603	48.2
291.06796	1.3
291.10583	1.3
292.07297	2.1
293.08160	3.2
304.07352	6.2
305.02420	1.3
305.08038	3.6
306.09100	1.6
307.09631	12.4
309.11295	2.9
319.09625	35.8
337.06680	2.1
337.10709	26.4
337.23761	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	337.1069
Annotation	(+)-Hatomarubigin A
Peak:m/z	Relative Intensity
51.83471	1.2
63.19024	1.4
65.03932	2.2
70.85709	2.8
71.04977	6.1
74.76241	1.3
77.03921	1.9
79.05491	5.4
91.05482	3.3
91.76041	1.2
95.04974	1.8
95.08603	1.6
100.17208	1.3
103.05477	2.1
105.03365	1.7
105.07025	1.6
107.08500	1.6
111.04455	1.6
115.05434	4.4
119.04919	1.8
119.08508	1.7
128.06210	2.5
129.07022	14.4
131.04932	1.7
131.08539	1.9
133.02803	3.2
135.04417	100.0
140.81017	1.2
147.04382	4.6
149.02332	2.8
149.05957	7.0
151.03943	1.8
153.07002	2.8
157.06508	5.6
159.04405	2.2
161.05992	4.5
163.03918	4.7
165.07072	1.9
165.93460	1.5
167.04929	2.0
173.06003	14.9
175.03908	4.8
175.07628	1.6
177.05434	2.8
181.06367	1.7
185.05984	42.9
187.07550	11.1
189.06998	1.6
190.07755	3.3
191.08595	5.1
193.10083	1.5
197.05978	7.8
202.07825	6.0
203.08559	32.6
205.06496	2.3
205.10027	1.6
209.05988	28.0
215.06982	18.9
215.08742	2.4
219.08006	11.4
221.09444	1.9
222.06870	1.6
223.07578	1.4
225.05653	1.4
231.08063	27.4
234.07013	1.6
235.07533	3.8
237.05452	12.9
246.06844	12.9
247.07541	4.1
249.09088	10.2
259.07571	6.9
260.08276	1.7
261.09119	29.4
262.06201	3.7
263.06931	1.7
266.05756	21.8
267.06512	44.5
268.06763	1.8
274.06436	6.8
274.09372	1.6
277.08630	14.6
279.06497	14.7
289.08600	63.0
292.07349	2.1
293.08075	4.5
304.07352	8.1
307.09647	9.7
309.11127	2.0
319.09656	34.2
337.10681	23.3
337.25113	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.258
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	5.0
55.05263	1.4
55.05513	27.4
57.03186	1.5
57.03442	23.9
57.07071	2.5
65.03926	3.7
65.81259	0.9
67.05507	100.0
69.03454	1.3
69.06709	1.7
69.07070	24.8
71.04993	2.3
75.69608	0.9
77.03928	1.2
79.05495	49.8
81.07058	84.9
83.04961	1.8
83.08627	10.0
85.06551	2.5
91.05486	28.3
93.07050	54.9
95.04963	4.4
95.08611	71.1
96.30154	1.0
97.06540	2.8
97.10152	3.3
98.21489	3.1
99.08102	1.2
105.04571	1.5
105.07034	19.1
107.08600	29.9
109.06534	2.6
109.10156	24.4
111.08099	2.0
117.07022	5.3
119.07773	1.5
119.08576	15.4
121.10152	22.6
123.08060	1.6
123.11717	9.5
125.09628	1.3
131.08571	10.3
133.10144	12.6
135.08009	2.1
135.11690	13.8
137.09552	1.8
137.13245	2.8
143.08543	1.5
145.10094	7.8
147.11700	5.2
149.09682	1.0
149.13268	8.8
155.08556	1.2
157.10118	2.5
159.11708	6.7
161.09756	1.0
161.13203	4.7
163.14839	2.7
171.11699	1.1
173.13306	5.1
173.97560	1.0
175.14825	1.8
177.16397	1.1
179.79420	0.9
187.14879	2.3
191.14200	1.3
197.13184	1.3
201.16444	1.5
209.15369	1.1
235.14909	0.9
243.21144	2.8
259.43671	1.1
261.22055	7.6
317.24722	1.4
335.25821	95.8
336.26086	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0896
Annotation	Flustraminol A
Peak:m/z	Relative Intensity
53.10393	2.2
59.93053	2.2
63.80424	2.1
64.01747	2.1
69.82477	12.8
78.90413	2.1
87.29129	2.1
96.87955	2.1
98.20770	4.2
155.01662	2.7
158.82692	2.5
159.62523	2.7
337.08633	100.0
356.29449	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02807	3.3
53.03954	4.2
55.01870	13.3
56.96574	31.4
61.02928	8.7
61.40829	2.8
61.46473	3.1
68.99796	5.2
69.03417	7.1
70.06590	5.9
72.08147	9.0
73.02923	4.2
79.01862	8.7
79.05486	6.8
79.70484	3.0
81.03408	7.9
83.01323	5.2
83.04988	6.0
84.08138	6.9
84.96034	7.6
85.02913	4.4
89.03922	6.5
91.05476	11.1
95.04989	5.6
97.02874	8.1
98.97597	5.2
99.09590	3.2
101.02389	10.0
103.05467	35.1
105.03429	4.7
105.07037	8.0
107.04960	6.5
109.02878	8.8
110.97535	4.2
115.05468	9.1
116.98592	4.5
117.03407	10.5
117.07021	5.5
118.04163	19.6
119.04962	9.0
123.04490	4.0
125.02364	5.4
126.09496	3.2
127.03913	11.1
128.98601	3.8
129.03407	5.0
129.06990	7.1
130.04169	11.1
131.04926	100.0
131.08588	4.5
132.05733	4.0
133.02843	11.5
133.06496	14.5
135.04446	8.2
137.02365	6.4
141.07022	15.3
143.04915	7.5
145.02806	22.7
145.06487	12.2
146.03650	14.8
146.05977	7.2
146.99707	4.6
147.04431	19.1
148.05171	5.3
149.05923	6.1
149.84694	4.0
151.03940	6.2
153.01836	47.9
153.02968	5.9
155.03488	7.8
155.04840	5.5
155.06079	4.0
157.02885	13.1
157.06497	17.4
157.08484	6.9
158.03667	7.3
158.06012	11.8
158.07263	5.4
159.04468	19.2
159.08029	8.0
160.05188	7.1
161.02399	13.4
161.06021	30.2
163.03912	24.5
165.01872	3.5
167.07022	4.6
169.04066	3.4
169.06451	23.7
171.03059	4.3
171.04436	9.0
173.02454	6.5
173.05969	12.7
174.03125	4.9
175.03954	14.7
175.07426	4.7
176.04704	14.7
176.07047	24.2
177.05434	37.2
178.06245	10.6
179.03395	6.7
181.05042	4.8
184.05212	4.1
185.05998	14.9
186.06778	14.4
187.03909	55.0
187.07489	7.5
188.04659	12.9
189.01849	34.5
189.05461	25.6
190.06210	4.1
190.08702	5.7
191.03412	18.9
191.07022	87.7
193.08612	8.9
196.05312	4.4
197.06056	21.9
199.03976	10.3
200.04649	6.2
201.00652	9.4
201.05481	9.3
202.02397	4.4
202.06209	4.6
203.03433	17.0
203.07071	8.0
204.04175	54.1
204.07599	3.7
205.04955	13.8
205.08600	14.7
205.40968	3.3
206.05717	5.2
207.02924	19.7
211.00803	3.7
211.07559	6.4
213.05484	7.2
214.06201	10.4
215.07080	25.8
216.04156	8.7
217.01367	12.6
217.04982	25.2
217.08562	12.2
218.05760	16.4
218.08043	8.1
218.13620	3.4
219.03210	23.5
219.06508	73.0
219.10039	4.7
221.08069	9.2
225.05530	5.6
229.05115	4.8
229.08633	13.3
230.02019	3.4
231.02844	19.0
231.06563	14.3
233.08078	11.1
234.05215	8.1
235.02400	39.7
235.06026	13.9
241.05049	6.0
242.05933	4.6
243.06581	19.6
244.03722	7.4
245.00708	14.0
245.04486	35.5
245.08075	19.4
247.02420	18.1
247.06123	4.5
247.09662	20.2
249.07631	8.1
252.00829	4.4
257.00800	5.7
257.08008	27.9
259.02359	9.0
259.06165	5.7
260.06808	48.8
261.07565	6.7
262.04755	25.6
263.01047	7.0
263.05518	23.5
263.08966	3.8
269.04526	5.6
273.00308	12.2
273.07657	12.6
275.01871	17.2
275.09140	76.4
277.03546	28.8
277.07111	87.1
278.03854	4.3
285.00156	3.9
287.05493	12.3
291.01608	4.2
291.08710	9.0
301.07141	19.1
303.01343	22.0
319.00888	8.3
319.08221	26.0
319.12683	3.8
337.01965	49.1
337.09155	13.9
337.14172	14.8
337.17667	10.3
337.21118	4.8
351.00494	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	335.2579
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03936	4.4
55.05262	1.3
55.05512	19.3
57.03444	21.2
57.07061	2.0
65.03926	4.4
67.05507	85.8
69.07071	18.1
69.94881	6.4
71.04989	2.3
79.05491	43.4
81.07058	84.0
83.04980	1.6
83.08624	9.3
85.06544	1.6
91.05479	23.4
93.07047	47.6
95.04957	4.1
95.08607	69.8
97.06485	2.3
97.10172	2.4
105.07034	18.1
107.07936	2.2
107.08598	24.5
108.83559	1.3
109.06532	1.5
109.10157	28.7
111.08081	2.4
117.07010	5.3
119.08588	11.6
121.10143	20.3
123.11707	10.4
131.08565	8.3
133.10107	8.0
135.11684	14.7
137.09575	1.6
137.13246	2.5
145.10114	5.9
147.11661	6.9
149.13231	7.4
159.11674	4.8
159.30205	1.1
161.13258	4.5
163.14867	3.7
173.13271	5.0
177.16400	1.6
187.14812	2.8
201.16409	2.1
201.58125	1.3
206.56284	1.3
206.60425	1.3
243.21141	4.7
244.05142	1.4
261.22147	8.8
261.71848	1.3
279.23264	1.5
284.08698	1.3
317.24710	1.6
335.25806	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2578
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03933	5.2
53.06981	1.4
55.05515	23.7
56.25150	1.1
57.03439	25.5
57.07063	3.6
65.03925	6.0
65.28412	1.3
67.05505	100.0
69.07070	25.5
69.48325	9.5
71.04977	2.1
79.05495	52.8
81.07056	85.5
82.69747	1.3
83.04967	2.2
83.08639	9.7
85.06548	2.4
89.36613	1.3
91.05485	24.1
93.07044	54.3
95.04951	4.2
95.08606	73.3
95.24282	1.3
97.06512	3.3
97.10141	3.5
99.10837	1.4
105.07033	13.4
107.08605	23.2
109.06522	3.2
109.10154	27.4
111.08105	1.8
111.97277	1.6
117.07019	4.5
119.08597	12.8
121.10137	22.8
123.08058	2.4
123.11678	9.6
125.09635	1.7
131.08554	8.7
133.10126	11.0
135.11694	12.9
137.13245	2.3
138.92305	1.2
145.10098	5.3
146.70937	1.5
147.11696	6.9
149.13240	7.6
159.11681	4.6
161.13271	4.3
163.14867	4.5
173.13350	3.0
175.14833	2.2
187.14845	2.2
214.31587	1.3
243.21037	2.1
261.22208	6.6
269.19089	1.6
272.56671	1.4
279.23093	1.7
317.24844	1.9
335.25803	92.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	1.6
59.87021	0.5
64.83865	0.5
69.03417	1.2
69.07143	0.4
71.25304	0.8
74.39784	0.4
76.26180	0.4
85.02895	1.4
97.02882	1.3
98.97586	4.1
98.98463	1.3
103.02445	0.5
108.81596	0.4
109.08466	0.5
110.97552	1.2
115.02432	0.4
116.98647	1.1
124.11249	0.6
126.77965	0.4
127.00750	0.4
127.03913	1.9
128.98627	0.5
130.06534	0.5
143.00163	0.7
143.01913	0.6
143.73358	0.4
145.01703	0.4
149.06569	0.5
153.01855	1.8
154.07272	0.5
154.08502	0.5
158.99686	1.3
172.09747	0.6
173.02783	0.9
173.06525	0.8
173.07863	5.1
177.00623	0.7
182.99675	1.1
186.04349	0.6
191.07660	0.7
201.00755	1.4
219.01669	2.2
225.00635	0.4
233.03325	0.5
237.02866	1.3
245.04935	0.5
253.81894	0.5
275.09955	0.5
281.04520	0.5
293.10919	0.8
307.07053	0.8
335.13129	100.0
336.13574	0.5
353.07373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
57.03434	1.2
65.03934	4.2
67.05511	4.8
69.07070	100.0
69.39111	8.4
69.90780	1.1
79.05468	1.2
80.05000	1.1
81.03429	1.0
81.07076	5.7
83.39530	1.0
92.05003	4.4
93.07048	1.1
94.06539	3.1
95.04949	1.7
97.06538	15.8
108.04477	1.2
113.02347	1.0
119.03703	2.0
120.04424	1.2
121.05261	1.3
121.06493	1.0
122.06055	8.8
124.07580	2.8
125.06047	1.2
131.07336	1.2
134.05992	1.0
137.05977	4.1
138.05495	5.9
140.07050	6.9
142.08659	1.3
144.08096	1.4
145.08855	3.4
145.10013	1.2
146.09654	4.1
147.06787	1.1
148.03957	5.6
148.04948	1.1
150.05511	79.9
157.08907	2.5
160.07544	1.0
160.11092	1.2
161.08424	5.4
162.09131	2.9
164.03429	1.2
166.04999	26.8
168.06606	1.5
172.07628	1.8
172.11214	4.5
173.08400	2.4
174.09106	1.0
174.12804	7.8
176.03470	9.3
178.05003	2.2
182.04463	1.2
185.08440	2.0
186.05638	1.8
186.07555	1.4
186.09271	1.3
188.10732	1.6
190.12271	5.7
194.04494	3.7
198.07788	1.2
200.07068	1.3
200.10780	8.0
202.12279	7.8
216.10217	4.0
218.11784	32.7
228.10185	16.1
234.11250	2.8
241.09650	1.0
243.11325	2.8
244.09659	2.3
245.12802	2.4
246.11288	24.6
257.09042	1.1
261.12335	1.2
262.10904	1.3
271.10852	5.3
272.09128	2.9
273.12198	3.4
274.10690	3.5
287.10175	9.6
289.11795	10.9
299.10300	6.9
317.07651	1.5
317.11322	24.5
335.08548	1.0
335.12335	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	335.0909
Annotation	Palmarumycin JC2
Peak:m/z	Relative Intensity
51.02381	0.9
51.05550	0.4
53.03943	2.3
55.01863	0.9
56.96554	1.4
58.16188	0.5
67.05492	1.0
69.03439	0.5
69.07048	1.1
69.44418	1.9
69.44834	1.7
75.07208	0.5
77.03928	1.6
79.05497	8.0
81.07047	1.2
87.28873	0.5
91.05433	0.6
93.07034	1.0
95.04944	2.8
95.08594	1.0
98.97557	0.8
99.04434	0.5
103.05466	1.9
105.03370	2.2
105.04495	1.0
105.06998	0.6
107.08584	1.0
110.22633	0.5
116.13644	0.5
117.03374	0.5
119.08564	0.6
128.06163	0.4
130.04156	0.9
131.04964	3.0
133.10112	1.1
135.04411	58.1
136.04776	0.5
143.04922	0.6
147.03340	1.0
147.04401	10.7
147.05501	0.9
149.02336	1.8
149.09608	0.5
150.02986	0.5
159.04425	4.4
160.05208	1.4
161.05972	5.4
163.03902	100.0
164.04234	1.0
173.05977	2.8
175.02481	1.0
175.03905	15.2
176.04498	0.5
185.06049	2.9
189.06964	4.5
190.07697	1.0
191.08539	5.6
202.07788	0.7
203.08679	0.9
205.06490	0.6
213.05452	2.6
217.06400	4.2
219.08047	11.3
229.06421	0.6
231.08183	0.9
245.06102	1.1
246.06723	1.5
247.07545	15.5
249.09117	7.1
259.07538	11.9
262.06314	2.1
274.06183	1.0
275.07016	15.5
276.07758	0.5
277.08600	8.7
279.06427	0.7
287.07095	3.3
290.05594	0.6
304.07343	1.2
305.08081	19.8
307.06213	1.1
307.09595	14.2
308.32907	0.5
316.07254	1.3
317.08078	25.4
335.09137	32.4
336.09491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0738
Annotation	GroPIns
Peak:m/z	Relative Intensity
51.90533	6.2
69.95770	26.8
71.72787	7.1
85.02911	7.1
98.98473	10.2
123.05560	10.4
123.88969	7.0
222.38792	7.0
276.02682	6.9
292.98099	7.5
303.01309	21.9
317.07376	7.0
320.34372	7.0
335.10074	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0738
Annotation	Unknow
Peak:m/z	Relative Intensity
67.07426	6.1
69.03430	9.7
70.04738	28.6
85.02892	8.3
97.02911	10.7
98.21387	7.6
98.97581	9.6
101.00861	13.2
119.01923	9.4
127.03925	21.3
164.98656	6.6
182.99677	11.0
223.56241	6.0
239.65428	6.7
245.04861	11.9
275.02054	9.2
276.02588	21.2
277.03241	8.0
291.04730	8.2
303.01376	68.4
335.07108	100.0
335.13226	8.9
348.18204	6.2
349.22760	6.4
349.78436	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	335.0738
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
58.34874	8.1
65.23284	8.0
69.03413	10.6
70.42036	26.6
89.62132	8.6
97.02871	9.5
101.00895	10.4
104.58936	7.8
122.85421	8.3
127.03944	18.6
182.99602	12.5
210.02065	8.8
254.05383	9.5
257.00806	15.5
276.02737	21.1
291.05096	8.5
303.01355	95.3
335.07007	100.0
335.12997	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	335.074
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
60.17499	6.4
71.09032	14.6
111.74576	6.8
220.48590	8.7
274.87369	6.6
335.07303	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00755	0.3
55.01862	1.2
55.05506	1.4
57.03432	0.4
58.02961	2.6
58.06604	0.4
69.03427	1.7
69.07049	0.4
69.48918	2.6
70.06618	0.4
71.15192	0.3
81.03368	0.3
81.07061	1.3
82.06588	0.4
84.08147	3.1
84.81374	0.4
85.02904	2.9
85.85144	0.3
95.08601	1.2
97.02869	0.8
97.10150	1.4
98.06053	0.7
98.21532	0.8
99.04485	0.4
100.07691	0.3
110.09757	0.4
112.07612	43.2
112.11257	0.5
123.08061	0.6
126.09167	0.5
126.12793	1.0
127.03942	0.6
128.10712	1.1
154.12271	2.8
155.07027	0.4
172.07556	1.0
172.13335	100.0
173.13730	0.6
181.04913	0.4
184.13431	0.4
332.75485	0.4
334.12827	0.4
334.18549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96566	100.0
61.02921	1.3
69.03421	3.2
69.97692	5.4
70.98123	31.8
71.95280	1.7
74.97595	3.9
79.56001	1.3
81.13634	1.2
84.96037	6.8
85.02913	3.0
86.97604	5.4
88.99150	9.1
97.02901	2.2
98.97571	7.6
99.04437	1.3
100.99142	16.7
101.00882	1.5
110.97564	13.6
112.95488	4.7
115.00672	4.0
116.98625	3.3
119.00198	3.3
126.97031	3.9
127.03941	1.7
128.98610	14.3
130.06525	3.3
130.96513	6.3
133.00833	1.6
133.01723	9.5
143.00179	3.0
144.98085	67.9
146.99646	3.7
148.97600	2.9
153.01851	8.7
155.08873	1.6
158.99722	1.6
161.01228	4.3
162.99149	40.4
170.99742	1.5
173.02855	1.7
181.00211	5.9
182.99625	1.2
186.66762	1.1
186.99109	16.2
201.00769	1.6
205.00208	90.7
219.01729	1.7
223.01262	85.2
228.01816	2.3
231.01666	1.4
237.02936	2.0
241.02330	5.4
245.05090	2.1
246.02742	1.2
247.01253	46.2
259.01248	11.6
265.02377	12.0
275.00803	4.0
277.02454	2.8
288.03973	1.8
292.06372	1.4
293.10788	2.2
303.01163	3.3
310.60675	1.2
317.01837	5.8
335.02902	20.6
335.06650	2.1
335.09198	2.6
335.13141	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33091	1.0
55.01864	1.6
55.05519	8.7
57.03427	3.2
58.02953	1.5
61.02919	2.6
69.03436	8.3
69.85741	4.7
70.06584	4.1
71.04990	1.6
73.02901	1.0
79.05489	5.0
81.03409	3.3
81.07061	22.1
82.06585	6.5
83.04959	1.1
83.08617	6.9
84.08133	3.4
85.02911	20.3
85.06528	4.3
87.04478	1.1
91.03939	1.1
91.05505	1.7
97.02892	6.2
97.05294	1.2
97.06554	1.4
97.10175	1.2
98.06041	2.1
98.09688	3.5
99.04491	1.3
99.08089	2.6
108.08110	3.5
109.02847	1.9
109.06525	18.5
112.07609	24.8
118.06885	0.9
124.11237	16.6
126.09161	49.6
127.03902	2.4
127.07555	18.2
130.18359	0.9
136.07588	1.5
137.05951	1.9
145.04956	2.7
154.08638	58.9
154.12195	1.7
155.05757	1.6
155.07036	33.8
172.09698	100.0
172.13329	53.5
173.10019	1.4
176.20345	0.9
184.13345	15.9
265.63449	1.0
283.57239	1.1
302.12234	1.2
312.81668	1.0
334.09006	37.2
334.18781	8.2
335.09491	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.8
56.05030	1.6
56.96576	1.1
57.03428	1.6
57.47248	1.0
58.61763	0.9
60.04510	1.9
62.28118	1.1
67.05516	7.7
69.03430	3.5
69.07054	1.4
69.53359	4.3
69.53781	3.1
70.06596	48.9
72.08119	1.4
79.05510	1.1
81.03376	1.7
84.08154	10.1
85.02890	4.8
85.06546	3.2
86.06053	1.2
86.09687	1.6
91.05467	1.8
95.08609	11.7
97.02914	2.2
98.06044	1.2
98.98492	1.3
100.62905	1.2
102.09184	2.3
108.12283	1.0
109.02870	1.3
109.10150	3.9
110.09653	1.1
112.07617	52.4
112.11256	7.3
124.11217	1.7
126.03745	2.7
126.12760	2.0
127.03830	2.1
137.02266	1.9
137.05974	2.2
140.30971	1.2
144.10202	7.4
144.13863	1.4
148.35493	1.2
153.01781	1.5
154.12276	67.4
155.07031	1.5
161.05890	1.1
172.04330	2.3
172.13335	100.0
190.10687	1.2
216.14008	1.3
220.37006	1.2
334.09897	1.9
334.16602	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.4
64.43288	1.0
67.05467	1.5
69.03412	1.6
71.34533	1.9
79.35929	1.1
80.40457	1.2
81.03400	2.8
81.07042	1.3
83.04961	1.6
85.02896	1.3
85.06551	1.1
91.05491	2.0
92.16778	1.1
93.07046	1.2
95.08601	1.5
98.20824	1.5
98.98476	4.7
102.59781	1.4
105.07061	2.8
119.08633	1.7
121.06482	1.6
131.04945	2.0
137.06009	2.3
162.52231	1.1
167.07050	3.6
171.04181	13.4
181.06488	1.2
185.04218	69.2
313.73383	1.3
327.70151	1.6
333.09454	100.0
333.12750	3.6
334.10025	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1178
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
55.01870	5.0
55.05503	6.1
56.96574	8.4
57.03430	8.2
61.02914	12.2
64.93383	4.0
65.03936	15.2
65.97739	3.8
67.05509	4.5
69.03426	33.5
69.70893	4.5
70.06606	5.0
71.04977	7.6
71.61317	6.4
73.02930	7.0
79.05479	5.3
81.03410	14.1
83.04962	11.1
85.02899	65.1
93.07050	8.6
95.05000	4.9
97.02896	26.4
98.97599	16.2
98.98469	70.8
99.04424	4.8
100.98907	6.4
107.04992	5.1
108.08119	17.4
109.02856	6.7
109.08466	12.6
111.04454	48.2
116.98660	7.4
123.05569	14.9
124.11238	8.8
125.06039	6.4
127.03947	14.9
128.98541	4.9
136.06213	13.1
137.06021	6.4
139.03900	100.0
145.04956	9.1
152.07066	8.9
153.01855	6.0
153.07458	7.3
156.04152	6.9
171.06519	92.7
172.09767	4.8
176.98878	9.5
182.46181	4.2
189.04303	4.8
207.46289	4.5
219.01735	6.1
234.98956	5.7
235.65417	4.6
237.02840	7.5
244.13901	4.1
253.58937	4.5
273.00208	4.7
287.11111	25.4
304.99478	5.7
315.12732	14.9
315.16165	7.0
333.02261	14.8
333.07523	9.7
333.11526	73.7
333.15018	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	333.152
Annotation	Unknow
Peak:m/z	Relative Intensity
63.78638	0.3
70.11096	1.5
82.44564	0.3
98.98485	1.1
151.61656	0.4
167.07021	0.4
170.11771	0.4
171.09970	2.0
171.12070	0.9
213.13225	0.5
301.10699	0.4
333.15204	100.0
334.15500	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1908
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03947	5.6
55.01868	5.3
55.05508	5.3
57.03440	10.5
57.07072	19.3
59.05002	15.2
61.02927	13.3
67.05498	13.7
67.52058	2.6
69.03074	2.2
69.03431	35.5
69.07070	15.8
71.04983	9.4
71.33954	4.9
73.02934	4.5
79.05474	3.3
81.03428	15.7
81.07047	9.4
83.04971	3.0
83.08621	7.3
85.02907	96.8
85.06541	15.3
86.09668	2.3
87.04463	6.7
91.03939	2.6
91.05453	5.2
93.07044	9.3
95.04955	5.8
95.08612	67.8
97.02908	31.7
97.06516	8.4
98.98454	6.3
99.04469	6.5
99.08099	18.3
107.04991	2.9
107.08601	14.7
109.02882	9.0
109.06517	12.5
109.10189	20.9
110.06821	2.8
111.08079	12.3
112.98998	2.5
113.09649	69.8
119.08648	2.2
123.08194	2.2
127.03907	18.9
127.11197	50.7
127.23695	2.0
135.11690	20.8
137.05983	7.2
137.13248	4.6
145.04971	24.1
153.01898	2.6
153.12753	100.0
155.14275	12.4
155.86366	2.3
171.12328	4.7
171.13802	53.8
177.12752	3.8
206.90314	2.2
212.09523	2.9
226.11105	4.1
227.11751	7.8
255.11229	2.8
270.10013	8.9
272.11594	7.1
279.15802	2.7
283.10855	3.2
301.11835	54.3
303.93085	1.9
333.14316	14.4
333.18866	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	332.176
Annotation	Eudistomin X
Peak:m/z	Relative Intensity
69.78305	0.4
69.78593	2.0
94.04927	0.3
98.98455	0.4
123.31432	0.3
133.37921	0.3
138.89537	0.3
145.03197	0.3
235.96478	0.3
261.01147	0.4
302.04593	0.3
320.06689	0.3
332.17615	100.0
333.17856	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0817
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.12535	2.5
57.13100	2.8
65.47072	2.8
67.36924	3.3
69.03429	9.0
69.77008	2.7
71.20541	3.4
71.20881	6.2
79.05495	5.0
81.03413	7.4
81.07056	3.5
85.02901	10.7
85.06521	5.3
91.13176	2.9
95.04960	3.8
97.02872	6.6
97.06499	3.5
98.98457	12.9
107.08528	3.7
109.02834	5.0
125.02308	5.3
127.03899	8.3
137.06006	7.5
143.03407	3.4
153.01845	100.0
153.02960	4.9
153.12793	5.1
167.07065	6.8
169.78889	3.1
171.02858	10.1
171.13846	7.2
176.98801	3.3
181.06584	3.4
181.08543	3.4
227.10744	3.3
301.10638	3.4
301.75815	3.7
315.07288	3.6
333.13879	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
57.03431	1.1
61.02919	1.9
65.03938	1.4
65.70193	0.4
67.05513	2.6
69.03434	6.2
70.81437	1.1
73.02923	1.6
79.05507	1.3
81.03416	2.2
81.07055	0.7
82.46059	0.4
85.02908	8.0
87.04484	1.7
91.03929	0.5
93.05767	0.7
96.08138	1.5
97.02897	3.1
99.04487	0.8
106.06554	4.8
108.08121	100.0
109.02886	0.9
120.96398	0.5
123.06821	2.8
124.07602	17.3
127.03901	1.6
134.06021	9.8
134.06989	1.0
136.07582	14.5
137.08351	0.6
145.05002	0.7
152.07074	67.7
154.08629	1.8
161.05576	0.9
170.08128	7.6
254.10226	0.7
283.84680	0.5
314.12347	37.3
315.12497	0.6
321.10345	0.9
332.13419	54.7
342.64355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1339
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
51.63186	0.5
56.07836	0.5
57.03432	1.1
60.03761	0.5
61.02920	2.2
64.00137	0.6
65.03936	1.0
67.05507	2.6
69.03442	5.0
71.09434	1.2
73.02921	1.2
79.05498	1.1
81.03417	1.9
81.05807	0.6
85.02900	6.5
87.04485	1.5
91.03960	0.9
93.05731	0.8
96.08124	1.1
97.02888	2.9
99.04492	0.7
106.06538	5.3
108.08118	100.0
109.02913	0.7
123.06819	4.0
124.07600	15.2
127.03907	1.1
134.06009	10.6
136.07585	12.9
146.86130	0.6
152.07069	66.1
154.08652	1.7
170.08113	7.0
222.68777	0.7
285.45349	0.7
289.33646	0.7
314.12335	33.7
332.13400	50.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63488	2.2
55.05517	11.8
57.03428	6.3
57.07077	100.0
63.86863	2.2
64.97477	2.1
67.05504	20.3
67.60513	2.8
69.07056	16.5
70.06578	7.7
71.08280	3.3
71.08638	57.6
71.10116	6.4
71.20117	2.2
81.06628	2.8
81.07064	31.2
83.08613	24.9
85.10179	34.6
88.07623	15.6
93.07059	3.7
95.08607	48.5
97.10173	12.3
98.98471	100.0
99.11710	3.1
100.98864	2.9
106.08664	4.9
109.10163	24.7
111.11682	3.7
123.11706	9.5
124.42685	2.6
125.13160	2.7
127.03876	2.5
137.13245	4.7
142.61768	2.2
174.99223	4.9
176.98914	6.0
179.09300	2.4
189.32051	2.4
200.09460	2.3
221.22749	2.6
239.23669	12.8
257.24792	8.3
290.60391	2.1
308.66412	2.9
313.27356	50.7
313.32990	5.4
328.05276	2.6
331.16888	3.0
331.34000	94.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0448
Annotation	3,3'-di-O-Methylellagic acid
Peak:m/z	Relative Intensity
52.44606	0.4
56.12498	0.4
65.22961	0.4
69.07085	0.4
70.64528	0.5
70.64873	1.0
91.05460	0.6
98.98473	8.5
109.02866	0.4
115.05437	0.6
137.05965	1.1
141.00523	0.4
153.07037	0.5
157.06544	0.8
165.06979	0.9
169.06554	0.5
183.08044	0.5
186.03128	1.2
187.03937	0.8
189.01842	1.0
196.05209	0.8
198.03128	0.7
199.03926	0.8
199.07454	0.5
201.05560	0.5
203.40675	0.4
211.07495	0.9
213.05469	0.6
214.02649	1.2
215.03404	1.3
216.04161	0.8
217.01273	2.2
230.02110	0.5
232.03616	0.5
239.07043	1.1
241.01199	0.9
242.02112	1.6
243.02855	0.7
244.03664	0.8
245.00925	1.9
256.07214	0.7
257.00830	1.7
259.02252	0.7
260.03168	1.8
269.00916	0.9
269.04129	0.4
270.01547	2.2
271.02359	4.2
272.03107	2.9
273.00305	11.3
275.02005	0.6
284.06949	0.5
285.00296	2.8
285.03897	1.7
286.01288	0.4
287.01901	6.1
288.02673	0.8
298.00955	2.5
299.01880	2.9
299.09140	4.0
300.02643	9.3
300.99789	30.4
302.00534	2.0
313.03467	2.3
315.01370	6.4
316.02133	48.9
331.04486	100.0
331.11673	4.4
332.04840	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69639	0.7
56.96557	0.9
62.38285	0.7
69.03421	1.1
70.06576	1.3
71.60577	1.1
81.03419	1.0
84.08147	1.3
85.02905	1.6
86.09740	1.0
93.07050	0.7
97.02894	0.8
98.98470	73.8
100.98905	1.6
105.07030	2.7
108.08099	1.1
108.41994	0.6
109.02801	0.7
115.03928	0.7
116.99524	1.1
123.08057	0.6
124.11237	1.5
133.06473	1.1
137.06001	1.7
151.08685	1.4
153.01860	1.2
169.04732	100.0
174.99236	2.8
176.98907	5.3
179.07050	3.1
181.06303	1.6
185.04231	13.8
207.02846	1.0
211.07785	1.0
225.05516	0.8
253.04982	2.4
281.04465	2.9
313.07074	5.7
313.14279	0.8
331.09998	47.2
331.13504	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	331.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06834	2.2
50.33751	2.2
50.93536	2.8
53.03947	3.0
54.06083	2.1
67.05495	4.6
69.03424	4.2
70.06586	5.7
71.61378	4.4
72.10655	2.7
79.05486	5.2
81.03384	3.4
81.07070	4.5
83.04962	4.8
84.04440	2.2
85.02901	10.1
86.09714	3.4
91.05476	34.4
93.07042	4.7
94.04217	3.0
95.04969	7.5
95.93170	2.2
97.02945	3.4
98.51665	2.1
98.98470	100.0
100.98923	2.8
103.05460	4.1
105.07019	6.6
107.04952	8.5
107.08532	3.0
109.06515	13.9
115.05471	3.0
119.04923	14.5
121.06535	11.0
122.03638	6.4
123.08085	2.4
127.03933	2.6
128.06226	7.6
129.07018	17.9
131.04933	6.7
131.08562	3.1
135.08072	9.0
136.05211	4.9
137.05980	68.6
143.73715	2.1
145.06535	4.9
147.04317	4.0
149.06020	12.3
151.03925	7.5
151.07547	88.1
151.08765	4.9
151.11101	4.4
152.06227	4.1
153.01794	6.8
157.06522	10.7
159.08150	2.5
161.05965	13.2
161.09683	3.6
163.07553	23.6
165.07033	13.3
165.09094	5.8
166.07790	4.2
167.07318	3.6
167.08559	19.3
169.04988	15.9
169.12216	4.5
174.06789	3.4
174.99236	2.8
175.07526	4.7
176.98917	7.4
177.09088	3.0
178.07817	6.4
179.07018	3.2
179.08511	3.7
179.74425	2.1
181.06476	6.4
182.07278	4.1
187.07494	2.4
189.09106	30.6
193.06519	3.9
193.10201	7.5
194.07304	2.4
195.08025	21.6
197.06017	4.4
206.07280	2.9
206.97568	2.4
207.10149	4.8
210.06725	7.3
211.07468	5.2
212.08392	5.2
221.05968	8.7
221.09627	12.1
223.07530	9.2
225.05598	2.9
225.09064	7.6
227.10696	23.3
237.09064	3.6
238.06252	3.5
239.06824	2.5
249.09113	3.6
252.07822	4.8
253.08609	12.4
253.12263	13.5
255.10162	26.4
267.10175	2.9
269.08093	5.2
272.10440	3.0
281.11978	2.7
285.11130	16.8
287.12808	39.2
313.14529	13.8
331.11966	7.1
331.17111	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75756	1.6
55.01865	2.5
58.00163	1.4
64.99505	1.4
65.03950	1.6
67.05507	1.6
71.08656	1.3
71.14013	3.6
74.61342	1.6
75.27547	1.3
79.05486	3.7
81.07065	5.1
85.02911	2.6
85.85000	1.4
91.05487	28.5
91.64281	1.3
93.07093	2.1
94.04200	1.7
95.04971	8.5
98.98466	47.0
99.97366	1.5
103.05477	5.1
105.07050	4.0
106.29739	1.5
107.04968	6.6
109.06530	4.7
109.10172	4.5
111.04472	2.4
111.51308	1.3
115.05446	3.8
115.70018	1.6
117.07009	1.3
119.04958	19.1
121.06513	5.9
122.03666	7.3
123.04451	1.5
123.11765	2.1
128.06238	4.5
129.07021	13.9
131.04956	6.5
131.08609	2.2
133.06508	3.7
135.08078	6.9
136.05217	4.6
137.05981	77.2
143.04929	2.4
145.06479	3.1
146.07263	2.6
148.05220	2.6
149.05971	13.0
151.03941	4.5
151.07545	97.8
152.06219	3.1
153.07007	2.7
157.06516	10.9
161.05978	14.2
161.09674	3.4
163.03957	2.0
163.07558	21.5
165.07008	13.5
165.09175	5.7
166.07816	2.6
167.08551	16.2
169.06516	2.6
169.12256	1.6
174.06674	7.0
174.99272	2.1
175.07588	5.1
176.08585	1.6
176.98987	2.8
177.09160	2.9
178.07832	6.4
179.08528	2.7
181.06516	5.6
182.07306	5.4
189.09105	32.2
189.10684	2.2
192.09447	2.2
193.06494	8.4
193.08614	1.9
193.10139	7.7
194.07339	2.8
195.08070	25.6
197.06033	5.1
197.09694	2.3
202.07924	2.5
203.08676	2.5
205.06558	2.0
207.08319	2.1
207.10254	6.5
209.05904	2.2
209.09596	4.2
210.06775	10.4
211.07629	5.5
212.08382	4.4
221.06033	10.6
221.09508	11.0
223.07516	12.5
224.08432	2.4
225.05644	2.3
225.09129	11.3
227.07135	3.4
227.10658	32.6
231.08261	1.5
235.07607	1.7
237.05508	1.9
237.09016	3.4
238.06256	5.0
239.07137	2.7
240.07898	3.3
241.08533	2.2
241.12358	2.5
249.09161	5.0
251.07147	1.7
252.07939	2.5
253.08586	16.3
253.12262	15.7
255.10167	33.7
267.10205	6.9
269.08194	4.3
269.11636	2.1
270.08694	2.0
272.10562	3.1
281.11502	7.6
285.08411	2.4
285.11282	18.8
287.12790	45.3
289.11954	1.6
299.02057	3.0
301.14557	2.4
313.14346	13.9
316.02075	3.7
331.04745	9.1
331.12381	8.0
331.17337	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67446	1.9
59.05001	48.8
69.03427	5.3
70.06594	3.9
70.69011	5.7
73.06557	90.9
79.75131	2.2
81.07047	2.2
85.02905	9.0
86.09697	2.1
88.04064	2.0
97.02885	3.5
98.98470	100.0
105.07029	3.1
109.02852	2.8
109.10176	5.4
117.09126	14.4
119.08609	2.5
121.10067	3.0
124.07636	2.9
131.08586	3.4
131.10683	9.1
137.05980	3.5
138.09154	3.0
139.02153	2.3
148.07562	8.7
149.11737	49.3
149.12944	2.6
150.09103	4.7
162.15158	2.0
166.08647	7.1
174.99281	6.5
175.06177	2.0
176.07115	4.0
176.98953	3.0
189.12769	4.9
190.08635	76.3
191.09355	7.2
207.13898	2.7
214.08688	1.9
228.06859	2.2
239.10918	2.3
296.01117	2.0
310.14813	2.0
328.11758	3.7
328.15500	70.4
329.12164	3.2
329.15796	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.3051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.0
55.05511	4.8
56.96561	1.0
57.07070	2.7
67.05512	5.8
69.03442	0.6
69.07072	9.4
79.05486	2.2
81.03410	1.0
81.07061	18.1
83.08620	5.1
85.06540	2.7
91.05500	1.9
93.07072	3.1
95.08614	15.4
97.10173	3.8
98.98471	100.0
99.08124	1.0
100.98910	0.6
105.07026	1.4
107.08616	3.3
109.10161	9.6
110.98407	0.6
111.11740	2.5
116.99503	2.2
119.04951	0.7
121.06487	0.7
121.10133	1.8
123.11679	4.4
124.12056	0.6
125.13288	0.9
134.88713	0.7
135.11707	1.2
137.06000	1.6
137.13312	2.6
149.13292	1.9
151.07619	1.3
151.14793	1.2
152.07877	1.0
163.14900	0.7
165.16428	1.3
174.99231	7.8
176.98962	4.1
188.03543	0.7
224.08348	0.6
241.00110	0.6
251.00002	0.9
252.99658	0.7
293.28381	1.0
311.29199	0.8
315.08524	0.8
325.70712	0.7
329.03101	0.8
329.10245	2.0
329.15723	1.1
330.10901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.232
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.5
53.03948	4.4
55.01869	0.6
55.05514	1.8
56.96564	1.2
56.98396	0.4
57.07073	0.6
65.03925	0.9
67.05509	3.7
69.03442	0.4
69.07068	1.6
77.03963	1.7
79.05496	3.5
81.03414	0.8
81.06634	0.5
81.07068	4.7
83.08618	1.3
83.21668	0.4
83.94237	0.5
85.06555	0.6
91.05490	8.2
92.24815	0.4
93.07044	7.3
93.20912	0.5
94.04193	0.5
95.04980	13.1
95.08615	5.9
97.06554	0.9
97.10162	0.5
98.98474	100.0
103.05476	9.2
105.03462	0.4
105.04527	3.5
105.07031	7.7
107.04955	2.6
107.08588	5.9
109.06532	2.0
109.10185	2.9
112.57954	0.4
115.05471	1.7
116.99519	1.5
117.07037	3.6
119.04964	2.1
119.08593	7.4
121.06498	2.0
121.10165	2.9
122.03678	1.3
123.08086	0.5
123.11713	1.4
128.06223	5.2
128.07094	0.6
129.07037	1.5
130.07729	0.6
131.04955	4.8
131.08583	2.9
133.06511	0.8
133.10150	3.9
135.04510	0.7
135.08055	1.0
135.11700	1.4
137.05994	15.9
137.07053	0.8
140.01096	0.9
141.07079	0.7
142.07814	1.4
143.08588	9.6
144.09334	0.9
145.06506	4.4
145.10127	4.9
146.07283	0.9
147.04350	0.5
147.11716	1.8
148.05225	1.3
149.05882	0.5
149.09674	0.6
151.07552	8.9
152.06229	16.0
153.07008	11.0
154.07588	0.5
155.08571	1.3
156.09364	0.8
157.10144	4.3
159.11694	5.6
161.05972	0.7
161.09644	2.1
161.13239	1.0
163.07555	7.2
164.08426	0.6
165.07054	0.8
165.09137	1.1
168.05750	4.0
169.06467	1.7
169.10136	1.6
170.10951	0.9
171.08067	9.9
171.11694	2.9
172.08804	0.5
172.94347	0.6
173.06046	2.4
173.13255	3.6
174.06812	0.7
174.99237	11.2
175.01566	1.0
175.07513	2.3
175.14841	1.8
177.09163	1.4
181.10098	1.1
182.07315	0.9
182.11009	0.7
183.11737	1.4
185.13281	5.2
187.03061	0.8
187.07553	1.5
187.14850	2.5
188.08340	11.6
189.16304	0.5
190.95406	1.0
195.11766	0.7
197.09668	1.2
197.13333	1.4
199.14874	1.8
201.16451	0.8
202.07793	0.9
203.10675	16.2
209.06012	1.6
209.13312	1.2
210.06721	0.7
211.14816	3.9
213.16418	1.2
215.02539	2.7
217.15959	0.7
223.14879	0.5
225.05447	1.0
225.09070	0.5
225.16400	2.1
227.08607	0.7
227.14375	0.7
228.09338	4.6
229.10062	1.5
229.15944	0.5
232.96481	1.1
233.03654	14.8
233.05980	1.0
235.11032	0.6
238.06288	0.5
250.97598	0.6
250.99887	0.8
251.04683	7.9
251.07169	0.7
251.17944	0.5
255.10260	1.1
263.10684	0.7
266.20285	1.9
267.06595	1.3
268.07297	3.0
269.08139	0.9
271.06134	0.7
280.03711	0.7
281.22641	12.6
283.09695	1.1
285.07651	1.6
291.21060	0.6
295.06042	8.6
295.13437	0.6
298.12027	1.4
299.09140	1.3
299.23663	1.0
309.06870	0.9
309.22049	0.8
327.07849	56.5
327.15930	8.7
327.23151	12.9
327.26599	0.7
328.08047	2.3
328.23459	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	2.4
53.03946	6.1
55.01868	1.7
55.05504	1.5
57.07072	0.8
62.59556	0.6
65.03935	1.6
67.05506	3.7
69.03421	1.3
69.07068	2.4
71.10384	1.3
77.03951	2.7
78.34126	0.6
79.05495	5.1
81.03429	1.5
81.07055	5.1
85.06534	0.9
91.05482	14.8
93.03412	0.7
93.06467	0.7
93.07047	11.3
94.04179	2.0
95.04971	23.2
95.08609	7.9
97.06528	2.1
98.98468	100.0
103.05470	25.3
105.04531	3.6
105.07029	9.9
107.04958	7.3
107.08605	6.0
109.06520	3.5
109.10178	2.9
115.05476	4.4
115.67988	0.8
116.06307	0.7
116.99517	1.3
117.07030	6.5
119.04936	5.9
119.08572	9.3
121.06512	5.9
121.10171	5.0
122.03641	3.8
123.08065	2.2
123.11676	1.6
128.06221	15.9
129.06984	3.3
131.04930	14.2
131.05894	0.7
131.08572	5.3
131.86571	0.6
133.06499	1.9
133.10146	5.9
135.08061	2.8
135.11693	1.3
136.05200	1.3
137.05977	43.7
140.01060	0.8
141.07002	1.9
142.07793	2.3
143.08563	23.4
144.05678	0.8
145.06485	10.2
145.10120	6.5
145.62354	0.6
146.07307	3.1
147.04344	0.7
147.08080	0.9
147.11688	2.5
148.05234	3.5
149.06006	1.6
149.09631	1.2
151.06602	0.5
151.07541	22.1
152.06218	22.3
153.07001	19.1
155.06090	1.6
155.08574	1.3
157.10146	4.0
158.07317	0.7
158.10954	1.1
159.08078	1.9
159.11668	5.4
160.05240	1.1
160.08873	0.8
161.06003	2.8
161.09605	4.4
161.13281	1.1
162.06761	1.3
163.07538	17.3
164.08270	0.8
165.06964	0.8
165.09100	3.5
167.08531	1.0
168.05695	6.6
169.06546	3.6
169.10098	2.4
171.08047	26.8
171.11670	2.1
172.08760	0.9
173.05995	4.3
173.09644	0.9
173.13263	2.0
174.06781	1.2
174.99225	11.2
175.01561	1.6
175.07539	4.2
175.11237	1.4
175.14850	2.0
177.09114	5.6
179.08545	1.1
183.11713	1.8
185.13290	2.0
187.03079	1.0
187.07565	4.9
187.11169	1.0
187.14813	1.7
188.08337	29.6
189.09079	1.1
195.11655	0.7
197.13303	1.7
199.14749	1.4
202.07750	1.9
203.10663	38.3
205.15871	0.7
207.08018	1.0
207.11571	0.9
209.13266	1.6
211.14819	1.4
215.02589	5.1
217.15782	0.8
219.08148	0.8
220.08774	1.0
223.14796	0.8
227.08693	1.3
228.09337	6.0
229.10173	2.6
233.03624	23.9
235.11172	1.7
237.09114	0.9
238.09879	0.9
239.17978	0.8
248.08147	0.9
251.00058	1.3
251.04692	11.2
251.07173	1.1
252.11443	0.7
253.11942	0.6
255.10199	0.9
263.10629	1.4
267.10144	1.2
267.13583	0.9
281.22763	1.8
283.09790	3.5
295.13336	3.0
298.12033	3.8
309.06570	0.8
309.22104	0.8
327.07816	82.6
327.15894	21.1
327.23047	5.3
327.26773	1.0
328.08087	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.9
66.69697	0.5
71.04992	0.6
73.06553	1.2
77.01608	1.1
84.08161	0.6
85.02918	0.7
87.04449	2.8
89.06033	92.2
91.05486	1.6
95.01322	1.0
95.05015	0.7
98.98466	100.0
107.07059	1.9
107.08597	0.7
116.99511	1.5
117.83302	0.5
119.04963	0.6
133.08607	42.3
137.05975	0.6
147.04448	1.5
147.09076	0.6
151.09679	0.6
164.98622	1.9
165.05476	1.0
174.99226	10.7
177.11240	8.5
182.04881	1.2
182.99667	6.4
185.04402	0.5
201.00732	5.9
208.02866	1.3
219.01643	1.1
221.13853	0.6
239.14951	0.7
249.08249	0.8
251.00049	1.5
267.01993	0.7
283.17618	0.9
289.47681	0.6
292.09796	0.8
310.11105	5.9
327.04169	2.5
327.14157	38.8
327.19647	2.5
328.14590	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
51.02374	0.7
51.41511	0.7
52.17576	0.8
52.19689	0.7
53.03944	1.5
55.01851	1.3
55.05494	1.1
65.43497	0.7
66.53381	0.8
67.05499	3.2
69.03423	1.8
70.96411	0.9
70.96736	1.5
79.05481	3.5
81.03416	3.5
81.07043	3.6
88.84922	0.7
91.05482	6.0
93.07053	1.7
94.04179	3.0
95.04968	1.9
95.08594	2.1
98.98470	90.9
103.05470	20.2
105.07034	10.1
107.04958	3.3
109.02863	1.9
109.06510	2.5
109.10142	2.2
115.05435	1.9
116.60207	0.8
116.99493	1.0
117.07017	3.2
119.04934	1.8
119.08610	0.9
120.05733	0.9
121.06511	6.6
121.10115	0.8
122.03658	9.6
123.08080	1.0
126.87302	0.7
128.06248	0.9
129.07034	1.3
131.04929	21.7
133.06494	37.0
135.08052	13.4
135.08998	1.5
136.05212	0.8
137.05980	100.0
137.09616	2.9
138.06340	1.0
143.04922	2.0
145.06490	7.5
147.04301	1.1
147.08073	3.1
149.05994	1.4
151.07555	12.4
157.06496	2.9
159.08066	0.8
163.07552	55.9
165.09105	3.0
174.99223	9.4
175.07539	2.4
177.09140	0.8
180.97725	0.8
187.07571	1.5
189.09085	1.9
202.07693	1.1
203.10689	1.5
234.06680	0.8
235.11212	2.0
245.09543	0.9
250.99834	1.8
263.10596	4.2
267.10144	1.0
295.13263	8.7
327.12375	2.3
327.15921	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	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.3
55.01865	2.3
55.46304	0.7
57.03439	3.2
57.95557	0.6
61.49169	0.6
69.03429	14.2
69.25005	6.2
70.06590	0.8
71.01357	0.8
71.04984	5.2
73.02914	0.9
81.02966	1.1
81.03419	16.8
91.05499	1.0
92.69507	0.6
99.04465	5.1
117.05482	1.7
118.06533	5.8
128.30121	0.6
137.78546	0.6
145.07610	6.6
145.28441	0.7
147.09181	8.1
162.07817	0.9
163.08640	1.0
173.07106	12.2
175.08675	7.1
191.08159	100.0
205.09688	0.8
233.09187	0.8
260.75702	0.6
286.94574	0.6
289.11890	2.5
307.12891	26.5
314.98679	0.6
325.13928	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	327.0477
Annotation	SCHEMBL12018743
Peak:m/z	Relative Intensity
50.50538	3.0
60.87557	2.5
70.19765	9.5
93.10959	2.4
121.75746	2.4
140.68956	3.0
212.62253	2.8
224.69487	2.7
251.51442	3.3
273.29880	2.4
327.01019	5.5
327.04779	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1415
Annotation	His Asn Gly
Peak:m/z	Relative Intensity
54.78075	0.4
55.05494	0.6
67.05499	0.6
67.47569	0.5
69.03419	0.5
69.67504	3.1
70.06588	0.8
83.05009	0.4
85.02937	0.6
89.06030	4.1
91.05484	0.7
91.18619	0.4
98.98471	81.2
105.07058	0.5
114.25734	0.5
116.99522	1.2
124.07592	1.2
133.08592	2.7
135.81792	0.4
137.06004	0.7
137.07988	0.4
147.04369	0.5
154.95457	0.4
165.06627	1.3
166.08672	0.7
174.99240	8.8
177.11273	0.9
181.41034	0.4
182.99646	0.5
194.78526	0.4
201.00827	1.1
251.00027	1.4
277.08401	0.6
327.14160	100.0
328.14508	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1415
Annotation	His Asn Gly
Peak:m/z	Relative Intensity
63.76472	0.3
70.98855	0.8
71.70885	0.3
72.90912	0.4
79.19409	0.4
82.65836	0.3
96.46401	0.4
98.48306	0.4
98.98473	24.4
105.06996	0.4
116.99472	0.4
120.06359	0.4
165.09006	0.6
174.99214	3.0
182.04913	0.7
199.80194	0.3
208.02946	0.9
327.14154	100.0
328.14413	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1591
Annotation	Gingerenone C
Peak:m/z	Relative Intensity
56.96570	5.4
59.59796	0.6
60.63625	0.6
61.41613	0.6
66.04726	0.7
67.05492	1.1
69.07050	0.7
69.51212	1.2
69.51619	3.6
79.05481	2.2
81.07056	2.5
83.08628	0.6
91.05484	26.4
93.07026	1.5
94.04183	1.6
95.04956	3.5
95.08612	1.9
97.99178	1.1
98.98473	62.4
102.02248	0.8
103.93063	0.7
105.07043	2.9
107.08596	1.3
109.06520	1.6
109.10130	0.7
116.96952	0.6
119.04950	19.6
119.08624	1.3
121.10194	1.0
122.03667	4.9
122.06091	0.8
128.06223	2.0
133.06488	1.4
133.10098	1.1
136.05251	3.3
137.05986	76.8
142.07872	0.8
143.08600	6.7
145.06427	1.4
145.10144	1.3
151.07552	100.0
165.09137	6.6
171.08075	7.2
172.08809	1.7
173.05972	1.1
174.99255	5.9
188.08344	11.9
189.09129	0.8
203.10681	40.5
204.11026	0.8
214.95518	0.8
218.64095	0.7
225.15498	1.2
232.96385	0.9
237.88037	0.8
250.99956	0.9
256.15930	0.9
269.08075	1.2
279.18771	0.7
283.09650	1.2
294.66681	2.4
295.16614	0.8
297.92059	0.8
298.11929	1.0
303.66913	5.0
304.17282	0.9
327.12180	1.4
327.15958	18.1
327.23099	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.80611	0.6
53.03940	1.1
55.28059	0.6
57.03445	4.8
57.87617	0.5
58.23445	0.7
61.02912	3.1
69.03432	9.8
71.01344	1.8
71.04979	2.7
71.52724	1.2
73.02931	0.8
75.04456	0.7
81.03430	0.7
81.18333	0.5
85.02904	0.6
88.72350	0.7
91.05489	1.9
91.81805	0.6
99.04446	2.2
102.90569	0.6
111.45166	0.6
118.06529	2.3
132.06836	1.9
145.07596	8.6
146.08333	0.8
147.09177	92.7
148.09599	0.8
159.09171	3.6
160.09926	0.9
173.07100	2.5
173.10838	0.6
185.10745	1.1
191.08159	100.0
198.63374	0.6
207.73924	0.7
222.15935	0.6
224.55235	0.7
225.83650	0.7
263.13846	2.6
281.14960	49.3
289.11758	0.7
307.12888	8.5
325.13962	83.9
326.14636	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08039	0.3
53.03955	0.4
55.01870	0.7
55.05510	0.6
56.96564	0.5
57.03439	0.4
57.07094	0.3
63.02388	0.4
63.97557	0.3
67.05504	0.9
69.03439	0.9
69.07062	1.2
69.94258	1.4
70.06590	0.3
70.45911	0.3
71.04977	0.3
74.88918	0.3
77.03954	0.3
78.03809	0.4
79.05494	0.9
80.81918	0.2
81.03435	1.6
81.07059	1.6
83.05002	0.4
83.07880	0.2
83.08611	0.4
85.02911	1.1
85.06564	0.3
88.15987	0.2
89.03922	7.5
90.84453	0.2
91.05483	2.5
92.70463	0.3
93.07058	1.1
94.04226	0.3
95.04993	0.3
95.08622	1.7
95.09143	0.3
97.02894	0.6
97.06521	0.3
98.97581	0.5
99.04458	0.2
102.03805	0.3
103.05481	0.6
105.03415	0.5
105.07010	1.3
106.04172	0.5
106.21034	0.2
107.04956	0.8
107.08611	1.0
109.02866	0.9
109.06531	0.4
109.10183	0.6
111.11694	0.4
114.03759	0.5
117.03384	23.5
119.04930	1.1
119.08583	0.4
121.06493	0.7
121.10165	0.7
123.08057	0.4
123.11707	0.6
127.03875	0.4
131.04936	0.3
131.06354	0.3
131.08594	0.4
132.04765	0.3
133.02863	9.6
133.10124	0.3
134.03645	1.7
135.04430	3.2
135.08034	0.4
135.11687	0.5
137.05975	2.9
145.02853	55.6
147.04393	1.0
147.11646	0.4
149.05984	8.9
149.07397	1.9
149.13190	0.3
150.06738	0.8
151.07497	0.4
151.11209	0.3
157.10110	0.3
158.06021	0.3
159.11641	0.3
161.06018	0.4
162.03191	0.3
163.03911	8.5
163.07619	0.5
165.05499	1.2
175.03934	0.7
175.05382	0.4
177.05475	100.0
178.05804	0.4
186.05525	1.0
190.04907	0.3
191.08197	0.6
194.07402	0.3
199.04059	0.2
201.05492	1.2
205.06496	0.6
220.08696	0.3
221.05917	0.4
222.06734	0.4
227.36317	0.3
233.06067	0.6
239.07007	0.4
244.09666	1.1
248.09225	4.7
249.05370	0.4
250.06238	0.8
265.08563	0.8
278.09189	0.3
292.07144	0.3
293.08011	0.5
293.11197	0.3
325.07010	0.6
325.10553	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	325.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.3
55.01851	0.4
55.05499	1.1
57.03436	0.8
61.02906	1.1
61.43914	0.3
61.59669	0.4
67.05499	1.1
69.03427	5.6
69.07064	3.1
69.52858	0.5
69.53259	2.1
71.04987	2.0
73.02911	0.4
79.05491	2.3
79.19778	0.3
81.03413	8.7
81.07047	1.9
83.04958	0.4
85.02896	3.6
85.06523	0.8
89.03917	6.8
91.05499	1.7
93.07032	1.2
95.04977	0.6
95.08601	1.4
97.02876	1.3
99.04434	0.7
105.03316	0.6
105.07014	0.7
105.27333	0.3
107.04942	2.4
107.08598	0.8
107.59060	0.3
109.02870	3.0
109.10123	0.7
111.08089	0.3
111.11691	0.8
115.05444	0.5
117.03376	9.8
119.04939	0.8
119.08569	0.6
121.02913	0.4
121.10155	0.7
123.04433	3.9
127.03916	1.9
129.07028	0.9
131.04880	0.6
131.08586	0.6
133.01396	0.4
133.02844	1.1
134.03784	0.3
135.04411	24.7
135.08069	0.4
137.05936	1.2
139.11165	0.5
145.02838	14.2
145.06448	0.5
147.04382	2.0
149.02330	0.9
149.05983	0.8
149.13168	0.4
157.06494	0.9
161.05927	1.8
163.03899	100.0
164.04254	0.8
167.21664	0.4
169.06467	1.2
173.05978	3.3
175.07545	1.1
177.05476	1.9
178.07784	0.4
181.04976	2.2
185.05943	2.7
186.06813	0.4
187.07582	0.6
190.07573	0.4
191.08449	1.1
193.04901	0.5
193.06522	0.5
195.08011	0.4
197.05975	2.2
202.07765	0.9
203.06946	0.8
203.08575	3.4
205.06503	0.5
205.81256	0.4
209.06030	1.9
219.08084	1.1
225.05397	1.0
227.07065	1.9
231.08054	2.3
234.06694	0.7
237.05447	1.2
237.09106	0.8
246.06653	0.6
247.07666	0.8
249.09108	2.5
254.05777	1.2
255.06551	7.0
259.07529	0.8
261.09122	1.6
262.06287	0.7
264.07620	0.5
265.08533	1.0
267.06540	1.3
267.10211	0.5
274.06174	0.6
277.08578	3.8
281.08124	1.2
283.05951	0.9
289.08640	3.3
292.07254	1.2
295.09689	1.4
307.08301	6.7
307.26279	0.8
325.10724	3.5
325.16263	1.4
331.45370	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0919
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03932	1.2
55.01866	0.5
55.05505	0.6
57.03426	0.7
57.25624	0.3
61.02930	0.5
63.02368	0.4
67.05499	0.6
69.03426	4.4
69.07078	2.2
69.48532	0.8
69.48948	1.5
71.04993	1.8
79.05492	1.9
81.02961	0.5
81.03418	6.8
81.07047	1.1
85.02901	2.5
89.03923	5.3
91.05476	0.8
93.07050	0.6
95.04987	0.4
95.08585	0.8
97.02873	1.1
99.04436	0.9
99.08086	0.4
103.05457	0.4
105.07024	0.6
107.04947	2.2
107.08598	0.5
109.02874	2.7
109.06530	0.4
111.11708	0.6
115.05432	0.7
117.03382	10.3
119.04931	0.8
121.10136	0.5
123.04432	4.7
123.11661	0.3
127.03931	1.8
129.06979	1.2
131.26198	0.3
133.02893	0.4
134.03624	0.4
135.04419	22.5
137.05963	0.8
143.04926	0.4
145.02849	12.6
145.06461	0.6
147.04402	1.9
149.02342	0.5
149.05992	0.7
151.07555	0.4
153.07040	0.4
157.06494	0.9
161.06017	1.7
163.03903	100.0
164.04227	0.6
165.05539	0.4
165.06952	0.4
169.06496	0.8
173.05959	3.1
175.03885	0.6
175.07562	1.1
177.05508	1.9
177.06815	0.4
178.07816	0.3
181.04936	1.9
181.06346	0.4
185.06010	2.3
187.07471	0.4
191.08519	0.7
193.10092	0.3
197.05994	2.0
202.07738	0.9
203.06996	0.6
203.08589	3.3
207.08139	0.3
209.05998	2.2
218.07372	0.4
219.08029	1.2
221.09642	0.4
223.07628	0.4
225.05440	1.3
227.06940	2.0
231.08051	3.3
234.06795	0.7
237.05515	1.5
237.09109	1.0
246.06699	0.6
247.07564	0.5
249.05460	0.3
249.09102	2.9
254.05817	2.0
255.06534	6.9
259.07516	0.8
261.09180	1.8
262.06226	0.5
265.08759	0.6
265.11865	0.3
267.06448	1.7
275.07083	0.4
277.08597	4.2
281.08011	0.5
283.06009	0.7
289.08606	4.0
292.07248	1.1
295.09763	1.5
297.11267	0.4
307.08337	6.1
307.26236	0.7
325.11020	4.3
325.16312	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	325.0918
Annotation	Skimmin
Peak:m/z	Relative Intensity
53.03934	1.8
55.05506	1.2
57.03418	0.5
62.69902	0.6
67.05497	1.2
69.03429	5.1
71.04976	1.2
71.61606	0.7
71.61988	0.8
75.81546	0.6
79.05482	2.5
79.93629	0.5
81.03424	13.3
81.07047	2.5
85.02910	6.0
89.03912	7.9
91.05470	2.1
93.07024	2.0
95.08604	1.2
97.02872	2.2
98.97551	0.5
99.04442	1.8
105.07006	1.7
107.04928	2.4
107.08599	1.5
109.02884	4.5
109.10188	0.8
117.03381	9.7
119.04939	1.0
119.08559	1.0
121.02853	1.0
121.06481	0.7
121.10128	1.1
122.03619	0.6
127.03938	2.4
131.04918	1.0
133.02844	2.4
133.10173	0.8
135.04419	20.3
135.08057	0.9
135.17686	0.6
136.05141	0.6
137.05986	2.1
145.02847	15.3
145.03979	1.0
145.04874	0.5
147.04393	1.7
149.09760	0.5
151.07536	0.9
161.05962	0.7
163.03905	100.0
163.07565	2.1
164.04239	0.8
175.07582	0.7
181.04951	3.1
191.08539	0.6
201.05489	0.8
201.09108	0.6
205.06329	0.8
233.00786	2.0
265.08408	1.2
269.17310	0.6
271.55923	0.8
292.07407	0.9
293.08182	1.1
297.11292	0.9
307.07996	12.5
318.93558	0.6
325.10495	2.8
325.14319	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.092
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
53.00296	0.3
53.03937	1.0
55.01879	0.5
55.05524	2.0
57.03436	0.9
57.07060	0.3
58.82830	0.3
61.02922	0.3
65.03964	0.3
67.05512	1.2
69.03438	5.0
69.07072	9.9
69.39739	0.4
69.40145	1.6
70.06594	0.3
71.05013	0.6
72.54475	0.3
73.02921	0.4
79.05493	2.2
81.03423	10.2
81.03902	0.5
81.07058	3.3
83.04989	0.4
83.08608	0.6
85.02915	4.8
85.06532	0.7
89.03919	6.8
91.05485	1.2
93.07034	1.4
95.04967	0.5
95.08614	3.6
97.02906	1.2
97.06538	0.4
97.10170	0.4
99.04458	0.9
99.08088	0.3
101.06007	0.2
105.03407	0.3
105.07040	1.0
107.04960	2.8
107.08565	1.2
109.02884	3.5
109.06537	0.4
109.10123	1.3
110.88196	0.3
111.08086	0.3
111.11733	2.4
112.35860	0.2
117.03389	10.2
117.04227	0.6
119.04897	0.3
119.08545	0.6
121.10130	1.2
122.03663	0.4
123.11678	0.7
125.09606	0.4
127.03896	1.8
131.04898	0.3
133.02847	0.6
133.10168	0.7
135.04422	20.1
135.08038	0.4
135.11728	0.6
137.05983	2.5
137.13254	0.4
139.11198	2.2
145.02859	11.9
147.04424	0.3
147.11705	0.6
149.05969	0.3
149.13258	0.4
151.07536	0.4
153.12674	0.3
157.12273	0.7
159.11671	0.3
161.05995	0.4
163.03912	100.0
164.04247	1.1
181.04974	2.1
190.07799	0.3
191.08415	0.5
196.05174	0.2
201.05499	0.3
201.09201	0.4
205.06506	0.5
233.06004	0.3
233.31020	0.2
237.09116	0.4
250.06381	0.4
263.23904	0.2
264.07870	0.3
265.08789	0.4
268.07333	0.3
279.21088	0.3
283.09830	0.5
293.08142	0.5
293.11798	0.4
294.87939	0.2
307.08102	8.5
307.26343	0.8
315.03070	0.3
325.09488	0.9
325.14474	1.0
325.27283	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
50.37437	0.6
53.03940	1.0
55.05506	3.1
56.34199	0.8
67.05509	5.8
69.03432	2.0
69.07074	10.4
69.44328	6.1
77.93574	0.8
79.05490	4.5
80.34771	0.7
81.03416	1.6
81.07064	10.2
83.04987	4.1
86.09711	100.0
91.05486	10.3
93.07051	12.7
95.04974	3.2
95.08620	3.9
97.02895	0.9
97.10213	0.8
98.20638	1.2
98.97600	1.1
105.07032	15.0
106.07378	0.8
107.08585	5.6
109.06526	9.4
109.10152	2.4
111.08100	3.2
119.05009	0.7
119.08580	4.8
121.10158	1.3
123.08103	1.3
124.07599	0.9
128.10724	5.0
131.08542	3.5
132.09201	1.5
132.10216	31.1
133.06485	1.3
133.10133	20.9
134.10440	1.0
137.05969	1.0
147.11705	11.2
148.31993	0.7
149.02312	1.0
149.09610	1.4
151.07553	3.5
151.11192	44.4
156.10170	1.4
161.09532	0.8
163.03967	0.9
165.12790	1.7
174.11346	1.1
175.11200	4.4
180.06575	1.8
190.05063	1.1
192.69362	0.8
193.12241	4.0
221.06071	2.3
222.14778	0.9
228.10318	0.8
249.05602	1.7
249.59402	0.7
260.20105	6.7
278.21155	28.3
279.21460	1.5
289.50711	0.8
296.06689	0.8
306.20642	5.7
307.06177	3.4
324.06186	0.8
324.09821	1.7
324.21738	14.5
325.11594	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2169
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01869	0.7
55.05511	1.4
61.97521	0.5
66.99863	0.6
67.05509	3.0
69.07062	10.9
69.46517	1.4
69.46926	3.4
79.05486	3.9
81.07059	8.3
83.04980	3.7
86.09705	100.0
87.10040	0.6
91.05484	8.3
93.07049	12.0
95.04962	2.6
95.08617	2.0
97.06522	0.7
100.68065	0.6
105.07030	15.0
107.08591	3.2
109.06517	7.9
109.10165	2.0
111.08083	3.8
117.06978	0.9
119.08578	4.6
121.06447	0.9
121.10153	1.0
123.08071	1.0
123.11720	1.0
128.10721	5.1
129.07047	0.8
131.08565	4.4
132.10202	34.0
133.06487	1.0
133.10129	15.2
141.41168	0.7
147.11685	12.8
149.09622	1.5
149.13286	0.9
149.16115	0.6
151.07579	2.8
151.11182	44.6
156.10204	0.7
157.10165	0.7
165.12802	1.7
175.11176	3.7
193.12250	4.3
210.14922	1.2
222.14899	1.1
260.20093	7.4
278.21143	33.1
306.20605	6.0
324.21680	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0707
Annotation	Pre-bikaverin
Peak:m/z	Relative Intensity
53.03946	0.8
55.01865	1.4
55.05494	1.6
56.96563	1.8
57.03421	1.0
57.07071	0.9
67.05510	1.5
69.03424	2.4
69.07069	1.4
69.61332	4.2
79.05485	1.9
81.03409	3.4
81.07057	3.3
83.04965	1.2
83.08608	0.7
83.70805	0.6
83.99571	0.7
85.02894	2.6
89.03913	1.4
91.05489	5.0
93.07051	2.1
95.04986	1.4
95.08617	3.5
96.56581	0.8
97.02872	1.7
97.06528	1.0
97.10148	0.7
98.20731	1.2
98.97572	1.1
99.04444	1.2
99.78246	0.7
103.05441	1.1
105.03384	2.1
105.07027	1.9
107.04961	1.5
107.08587	3.0
109.02871	2.2
109.06473	0.7
109.10158	1.7
111.04408	1.1
115.05447	1.1
116.98596	0.9
117.03391	1.3
119.04929	0.8
119.08567	1.6
121.06483	1.2
121.10155	1.3
122.06003	0.7
123.08042	0.8
123.11648	0.8
124.07692	0.8
125.09672	0.7
127.03928	0.9
131.04929	1.9
131.08534	0.7
133.02858	10.8
133.10149	1.2
135.04462	3.4
135.08040	1.9
135.11739	0.8
137.05984	4.2
139.05498	0.8
145.02826	1.6
145.10088	1.0
147.04388	1.7
149.02339	8.8
149.05960	2.1
151.07506	1.0
152.06204	1.9
157.04034	0.8
157.06473	0.7
158.85915	0.8
161.06010	1.7
161.09619	1.1
163.03934	12.0
163.07533	2.0
165.05580	1.4
165.07005	23.9
165.09142	1.7
166.07787	1.2
167.08588	1.9
169.06506	1.0
175.03908	2.5
176.06197	1.5
177.05649	0.9
177.06956	3.6
181.06461	1.1
181.08543	0.8
189.07040	0.7
190.05009	0.8
192.05798	0.8
193.04756	1.6
193.06490	23.4
194.07236	1.6
195.08052	3.2
197.06020	2.1
201.05542	1.5
201.35368	0.7
203.04871	1.8
205.06427	4.5
207.04517	0.9
209.05972	1.2
221.05984	70.9
222.06569	2.3
223.07516	5.6
227.07088	0.9
233.05977	8.1
235.07458	1.1
247.07352	0.7
249.05478	87.0
250.06038	2.3
251.06970	10.4
253.08691	1.0
259.03857	1.1
261.05460	3.7
262.06219	2.1
263.06882	1.0
265.04990	2.6
265.08612	1.9
267.06427	1.7
277.05026	6.1
278.05695	1.2
279.06534	23.1
281.08127	2.6
283.06058	1.4
284.17285	0.8
289.04822	2.3
293.07999	1.7
297.07672	9.9
297.11063	0.9
306.05331	0.9
307.06006	100.0
308.06378	0.7
325.07040	11.1
325.10715	5.2
325.13947	1.3
325.21692	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.3
55.01855	0.6
57.03441	4.5
59.04967	0.6
61.02909	1.8
69.03073	0.6
69.03429	10.7
70.06583	0.5
71.01340	1.4
71.04996	3.7
71.61249	0.5
73.02910	1.1
75.04459	0.7
81.07047	1.1
81.34528	0.4
84.08129	0.6
85.02908	0.8
85.06538	1.2
88.01883	0.4
99.04459	4.4
99.08078	1.2
117.05461	1.2
118.06525	1.1
121.06462	0.5
127.07552	3.8
145.07590	3.0
145.08620	1.4
147.09175	2.2
149.21643	0.4
161.43217	0.5
162.05505	14.8
163.03931	0.7
163.08653	1.4
172.08696	16.8
173.07079	2.3
175.07436	0.8
175.08661	3.1
185.04161	1.0
189.08971	0.9
190.09750	58.0
191.08156	32.1
191.09631	0.7
214.09682	1.0
232.10808	0.6
306.14490	1.0
307.12897	14.5
324.10696	12.3
324.15521	100.0
325.15741	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.1
55.05503	4.1
56.96575	3.6
57.03431	10.5
57.28782	2.8
59.05006	3.9
61.02933	10.5
67.05505	38.5
69.03430	28.2
69.07053	4.8
70.06610	6.6
71.04992	6.7
71.60844	3.1
73.02930	4.5
74.06043	3.1
79.05484	6.7
81.03424	10.5
81.07069	21.9
83.08640	3.0
84.08135	4.1
84.96043	3.0
85.02908	74.0
85.06538	17.3
87.04472	5.2
91.03983	3.3
91.05499	3.1
95.08609	2.7
95.52210	2.5
97.02899	18.8
98.97584	13.5
99.04462	6.5
99.08092	14.5
109.02873	5.7
109.06527	10.7
109.10165	70.5
115.07616	3.2
116.98576	3.6
120.08093	3.8
124.11261	5.1
127.03905	20.9
127.07565	100.0
127.11202	29.8
133.06512	2.9
139.75586	2.5
145.04964	26.6
145.08609	47.3
152.15695	3.0
153.01877	3.7
158.99782	3.0
161.05943	4.4
162.05486	3.4
163.03918	14.9
163.06049	8.7
172.08679	13.0
175.08740	2.8
177.00832	2.5
190.09782	42.9
191.08148	21.8
214.04068	2.7
264.10721	3.2
278.10596	3.1
293.09244	5.1
306.09689	4.1
307.12863	14.3
323.93167	4.9
324.10364	20.2
324.15613	91.1
325.12521	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	324.1078
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
53.03951	0.3
55.01862	0.3
56.96560	0.2
57.03426	1.0
61.02919	0.8
69.03442	2.4
71.04994	0.4
71.60908	0.3
73.02938	0.3
79.05493	0.4
80.18459	0.2
81.03410	0.9
81.07027	0.3
83.06036	0.2
84.08126	0.4
85.02917	2.1
85.06546	0.5
97.02904	0.9
97.06515	0.2
99.04495	0.5
99.08084	0.6
106.06545	0.8
110.07152	0.4
111.37889	0.2
116.04980	1.8
124.11202	0.4
126.12710	0.2
127.03912	0.6
127.07536	1.3
130.06540	0.3
134.06004	0.4
144.04424	0.3
145.05003	0.3
145.07594	0.4
145.08618	0.6
162.05508	100.0
163.05789	0.7
172.08661	2.4
173.07175	0.5
175.08656	0.3
186.69142	0.3
190.09760	8.8
190.11473	0.5
191.08162	3.7
195.08742	0.4
306.02292	0.5
307.12903	1.7
324.10657	4.3
324.15518	13.9
346.69016	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14142	5.2
68.67637	5.8
71.13035	15.8
88.18600	6.6
91.48818	6.0
118.13781	6.3
173.82304	5.2
323.07465	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0915
Annotation	8-methyltetraphene-1,5,6,11,12-pentol
Peak:m/z	Relative Intensity
55.01878	46.5
56.96553	0.7
65.03915	0.9
69.79008	0.9
70.15030	2.4
79.05476	2.4
86.84215	0.8
105.03387	0.8
105.07039	1.0
115.05463	2.7
119.08593	0.8
121.02885	1.2
127.08289	0.9
130.04095	1.3
130.62578	0.7
135.04422	19.7
145.06477	9.5
145.10112	0.8
149.02359	11.8
153.63298	0.8
158.03621	2.2
165.06999	1.7
166.07780	1.3
171.91066	1.0
173.05994	14.5
174.17616	0.8
176.06195	2.7
177.06970	3.3
178.07802	2.3
179.08488	1.8
181.06470	1.6
186.03157	4.3
189.07002	4.6
190.07796	0.9
193.06383	1.0
194.07257	6.3
195.08017	0.9
201.05478	54.6
204.05736	4.4
205.06483	10.0
206.07268	4.5
207.08092	2.5
209.05984	2.0
209.09602	2.8
210.06859	1.1
211.07617	1.3
217.06468	2.0
218.07318	1.2
219.08066	2.0
221.06018	2.6
222.06761	7.5
223.07596	1.3
225.05490	2.2
232.05058	1.0
233.05939	6.0
234.06815	5.6
235.07582	2.9
237.05475	1.2
237.09113	6.4
238.06297	1.5
240.07802	1.5
246.06706	1.0
247.07483	1.8
249.05507	2.0
250.06238	5.4
251.07034	3.5
252.07823	2.2
253.08638	1.0
261.05325	0.9
262.06320	7.7
263.06927	4.9
264.07813	7.2
265.04956	1.0
265.08578	7.0
267.10184	1.9
268.07370	5.3
275.07013	3.2
277.08643	3.2
279.06638	2.2
280.07330	10.5
281.07980	1.2
290.05771	16.0
291.06583	7.3
292.07318	7.5
293.08057	1.7
294.08795	1.0
295.09662	62.3
296.10104	1.4
305.08099	40.4
307.05969	3.6
308.06699	5.3
323.09161	100.0
324.09363	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01886	0.9
55.05525	3.9
56.05033	5.6
57.03433	6.0
59.31071	0.7
59.68322	0.8
61.02930	7.4
68.97687	0.7
69.03435	17.1
69.07064	1.5
69.84943	1.7
69.85347	2.4
70.06597	3.3
70.99582	0.9
71.05008	2.2
72.08157	2.6
73.02917	5.0
79.05524	0.7
81.03432	6.7
81.07061	2.8
82.06582	9.3
84.08145	18.1
85.02911	31.7
87.04489	4.0
89.03882	0.8
91.03956	2.5
96.08141	2.2
97.02895	11.6
98.00659	4.9
98.09698	98.8
99.04462	2.4
100.07632	4.7
109.02889	4.6
115.05424	2.1
116.01678	0.8
117.03417	1.7
124.02195	2.4
124.11230	24.8
126.12797	1.6
127.03913	7.3
129.08420	0.8
130.06540	2.9
130.39769	0.7
132.08090	4.9
142.03227	11.9
142.06523	17.7
142.12283	20.4
143.07321	4.4
144.08089	8.1
144.13828	1.6
145.02863	7.1
145.04910	6.1
158.05981	1.8
160.04297	14.3
160.06194	1.2
160.07588	52.8
160.13341	100.0
174.02861	0.9
177.05457	8.5
201.70506	0.8
202.02118	2.1
202.08771	1.0
230.01672	1.6
232.03288	1.1
248.02736	1.2
258.01199	4.0
260.02698	2.0
276.02203	3.9
278.03690	1.1
286.00519	2.1
304.01712	17.9
322.02789	3.1
322.12827	52.7
322.18561	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.2
55.89927	1.2
56.05038	8.4
57.03429	5.0
61.02925	3.2
64.22712	1.1
67.05498	2.7
69.03448	7.6
69.07074	1.6
70.06586	2.3
70.99921	2.7
71.01363	7.3
73.02933	2.3
78.69233	1.1
81.07056	3.2
82.06582	6.3
84.08148	97.1
85.02900	6.2
95.90031	1.1
97.02900	5.4
98.09698	100.0
100.07619	1.8
100.39970	1.1
124.11237	20.3
126.12810	16.8
128.96288	1.2
142.11223	2.3
142.12288	32.7
143.03339	1.2
144.13849	35.9
152.21661	1.3
153.33211	1.2
160.13339	64.8
258.91681	1.3
322.18625	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79623	1.0
54.80691	1.0
55.01854	1.2
55.05518	2.4
61.02913	1.9
69.03439	4.8
70.06586	3.4
71.30849	2.0
71.91438	0.9
72.08150	5.3
76.34512	0.9
79.05479	2.3
81.03432	2.4
82.06562	2.7
83.04982	2.6
83.08601	1.6
84.08160	4.7
85.02911	13.8
87.04417	1.3
91.03889	1.0
91.05466	1.8
97.02880	4.7
98.09684	3.8
99.04462	1.3
100.07597	1.0
107.08605	24.1
109.02868	2.0
112.11227	1.3
115.05434	1.7
116.49312	1.1
117.03372	2.6
124.11214	2.1
125.09632	48.4
127.03903	3.7
142.02322	3.9
142.06511	9.1
142.12245	2.2
144.13741	1.9
145.02876	5.8
145.04944	1.8
147.04405	1.6
153.01837	3.5
160.07582	100.0
160.13283	3.3
177.05450	9.9
202.02098	2.9
204.03725	1.1
230.01645	1.4
232.03337	1.5
234.11288	1.3
258.01193	4.4
260.02725	3.3
276.02228	4.1
276.12241	1.2
286.00662	3.7
286.12689	2.2
304.01688	20.3
322.02588	3.1
322.09167	1.8
322.12747	8.8
322.21478	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	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
60.25563	0.6
69.03437	0.7
70.06580	1.0
71.60620	0.7
71.61015	0.7
74.06092	0.7
78.52907	0.6
98.97575	0.9
101.00903	0.8
102.05527	0.7
116.77904	0.7
119.01894	1.2
119.04951	0.6
159.04965	0.8
173.02690	0.9
186.07643	1.3
201.01888	1.8
203.03239	0.9
219.02942	0.9
223.06555	0.9
229.01436	1.6
231.02988	1.8
246.53947	0.7
247.02437	1.6
257.00851	3.7
259.02414	1.9
275.01767	3.1
277.03458	1.8
285.00354	2.9
303.01337	18.0
321.02136	2.0
321.11597	100.0
322.12000	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0023
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54943	0.9
51.02170	1.0
60.19756	1.1
70.44913	2.5
70.45258	1.5
71.88897	1.0
98.20790	1.2
98.98460	2.7
178.94469	1.9
196.95477	2.9
202.94295	1.4
214.93184	1.4
214.96556	18.4
219.02005	8.9
220.95441	1.5
237.93852	2.4
238.96461	8.1
246.94049	1.1
255.85548	1.2
256.97592	99.0
257.97723	2.6
262.96512	1.7
274.95111	2.2
276.92081	5.5
277.42215	1.9
277.92157	2.7
279.99139	1.2
280.91653	2.0
280.97556	9.9
286.92554	1.6
288.92075	1.1
294.93185	2.9
297.92892	1.9
298.93015	3.2
298.98636	100.0
299.98895	2.6
322.00137	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1286
Annotation	dehydrohistidyltryptophyldiketopiperazine
Peak:m/z	Relative Intensity
55.01866	0.7
55.05515	0.7
56.05037	1.4
57.03439	3.7
61.02930	4.2
69.03072	0.7
69.03432	13.3
70.06583	0.7
70.72093	1.2
71.04990	1.0
73.02925	3.3
77.44917	0.5
81.03426	3.1
81.07065	0.7
82.06576	1.3
84.08135	2.7
85.02409	1.1
85.02906	15.2
87.04459	2.9
91.03968	0.9
92.21506	0.6
97.02895	6.7
98.09694	17.8
99.04469	1.4
100.07617	1.1
103.03967	0.5
103.38645	0.5
109.02876	1.6
115.03954	0.7
115.05460	4.3
117.05765	0.7
117.07069	0.9
118.06567	1.0
124.11250	4.1
126.12836	0.5
127.03931	3.4
130.06517	4.5
132.08101	9.1
142.03215	0.9
142.06528	33.0
142.12271	4.4
143.07312	8.4
144.08084	15.9
145.04947	0.8
145.06458	0.6
155.06088	1.2
158.06017	3.9
159.06799	2.2
160.07582	95.7
160.13335	17.7
171.88319	0.5
177.05499	0.9
202.02092	0.5
202.08655	1.5
257.24512	0.6
258.01172	1.0
267.67194	0.6
286.00763	0.5
304.01672	4.4
304.12012	0.7
322.12851	100.0
322.18311	9.8
323.13217	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70358	0.6
51.13897	0.7
55.98687	0.5
64.96817	0.7
65.13453	0.7
69.03450	1.1
69.60116	4.4
70.06589	0.7
72.06558	0.6
74.60438	0.6
81.32839	0.6
81.33383	0.6
82.06585	0.6
84.08182	0.9
85.02927	0.7
95.09679	0.6
97.01466	0.7
97.02920	0.8
98.20713	0.7
98.97614	1.8
99.02371	0.6
101.00923	2.0
113.00887	1.0
115.02480	2.9
119.01990	2.0
131.01970	2.8
133.03484	5.5
143.01953	2.0
145.03592	1.1
155.02000	1.9
157.03529	1.4
158.99768	0.8
159.05109	2.3
161.03081	1.2
171.05127	2.1
173.03018	1.7
175.04460	0.8
177.04414	0.9
177.06139	1.5
183.05093	1.4
185.03090	1.0
201.02071	1.0
203.04167	1.3
219.07170	4.6
221.05241	2.2
222.41345	0.7
231.07091	3.7
245.05252	3.0
247.03018	0.8
250.51065	0.7
257.01208	1.5
261.08380	2.0
273.08325	1.5
275.01941	0.7
279.09540	2.4
303.01376	7.5
321.11691	100.0
322.12268	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.112
Annotation	Betulinan A
Peak:m/z	Relative Intensity
53.03934	1.0
55.05505	1.0
56.96568	5.4
57.07067	2.6
58.07410	1.0
67.05493	2.8
69.03423	1.2
69.07058	3.0
70.06600	4.6
71.06913	2.8
71.08614	1.4
71.61883	1.1
73.02914	1.1
74.56709	0.8
79.05485	3.1
81.07047	4.2
83.04980	1.1
85.02903	0.9
88.07628	5.7
89.07972	3.4
91.05472	2.1
93.07042	2.8
95.04961	1.3
95.08600	2.5
97.02879	1.5
98.97578	2.3
102.09161	2.9
103.05482	4.7
103.09531	1.5
104.09615	1.4
105.07027	3.7
107.08644	2.0
109.02878	1.3
109.10146	3.5
115.05473	1.3
117.03401	1.0
119.08580	1.6
121.06536	1.1
127.03927	1.0
133.06490	1.6
135.04411	17.4
135.11697	1.4
139.05380	1.2
147.04391	1.7
149.13293	1.2
159.04425	23.0
159.11710	0.9
160.05136	1.3
161.06026	4.9
167.04895	1.7
170.00998	1.0
175.07556	2.6
179.08588	1.0
189.06975	1.8
191.08617	3.0
192.09357	1.5
195.13693	1.0
199.07578	3.9
202.07777	21.8
203.08566	39.0
204.09259	1.8
205.06509	1.8
207.08119	0.9
215.08578	3.2
218.07271	2.2
219.08014	5.2
220.08838	5.6
229.07545	8.4
230.07364	3.5
231.08054	52.8
232.08755	6.3
233.09653	2.2
235.07584	2.2
235.11185	2.0
237.02710	1.0
243.08057	1.4
247.07875	4.5
248.08322	12.2
256.26294	1.7
257.26587	7.0
258.06845	2.6
258.27026	7.3
259.07562	38.3
259.27277	7.9
260.08334	15.9
261.09103	16.8
262.09814	1.7
263.07181	1.9
263.10657	11.1
269.10611	5.0
273.08902	1.4
275.07108	1.8
276.07843	8.2
277.08527	1.1
278.09225	1.2
287.11636	1.0
289.08582	33.9
290.09387	5.7
291.07034	1.8
291.10144	44.0
293.08194	2.0
293.11597	1.5
303.01279	2.9
305.08112	1.4
306.08801	5.4
320.30692	15.7
321.11206	100.0
321.30917	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1082
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04290	0.2
60.04528	2.4
67.05497	0.3
70.02953	6.4
71.61198	0.3
74.02441	1.0
81.07059	0.4
84.04496	0.3
84.08130	0.4
88.03997	2.4
91.05435	0.3
93.07024	0.4
94.06576	0.3
102.05544	23.2
116.03465	0.6
117.03345	0.3
118.06558	0.8
119.08550	0.3
122.06048	1.7
124.07598	0.5
128.04958	4.0
132.04463	2.0
136.07568	1.9
146.06010	100.0
147.04413	0.4
147.06325	0.7
148.06053	5.7
148.07343	0.4
150.05495	1.0
153.01805	0.4
162.11581	0.8
168.06628	0.3
173.02322	0.6
174.05511	17.8
175.03926	0.4
175.05920	0.3
192.06563	0.6
201.01852	0.4
203.03452	0.6
229.01427	0.6
231.02919	1.1
239.08168	0.3
243.07689	3.5
243.18614	0.9
247.02396	0.6
257.00803	1.3
259.02390	1.2
261.08801	1.7
261.19681	0.7
275.01981	1.3
275.10251	5.2
277.03467	0.4
285.00302	0.9
289.08273	1.1
293.11346	0.3
303.01361	7.4
303.09711	1.4
303.12875	0.3
321.02362	0.6
321.10873	2.5
321.14020	0.4
321.17978	0.6
321.21643	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.112
Annotation	Betulinan A
Peak:m/z	Relative Intensity
55.01874	1.0
55.05505	1.4
56.96575	5.7
57.07064	3.4
57.43708	0.8
58.07405	1.5
67.05514	4.6
69.03407	1.3
69.07066	1.6
69.44543	8.0
70.06595	6.7
71.06911	3.0
71.08601	0.8
79.05495	1.8
81.07045	2.8
83.08622	0.9
85.02908	1.6
88.07642	6.8
89.07970	3.5
90.08057	1.9
91.05473	1.8
93.07044	2.0
95.04956	2.0
95.08597	1.4
96.66273	0.9
97.02890	1.5
98.97569	2.3
102.09180	4.0
103.05466	5.2
103.09522	3.5
105.07024	3.9
107.08598	1.5
109.02895	1.1
109.10157	2.6
115.05462	1.3
116.98590	1.3
117.07024	1.1
119.08547	1.4
121.10143	1.0
127.03872	1.0
128.06213	1.1
133.06462	1.7
135.04431	16.5
139.05432	1.7
145.10127	1.1
147.04463	1.1
149.05948	1.2
159.04427	26.8
160.05167	1.5
161.06071	4.5
167.04924	1.1
173.11739	2.3
175.07509	1.5
184.05147	1.0
189.07019	1.7
190.07880	1.3
191.08556	3.1
192.09355	1.6
195.13737	1.1
199.07593	5.6
202.07780	24.7
203.08569	44.7
204.09212	2.7
205.06505	3.4
205.10109	1.5
207.08092	1.6
211.06406	1.0
215.08575	3.1
218.07260	1.2
219.08025	6.9
220.08839	8.2
229.07523	8.7
229.14438	1.1
230.07243	4.2
231.08047	62.9
232.08769	8.0
233.05994	0.9
233.09647	2.0
235.07512	4.0
235.11192	2.9
242.07254	1.6
245.09341	1.0
246.06868	1.2
247.07845	4.0
248.08328	16.2
249.09145	1.6
251.09619	1.3
256.26257	1.8
257.26553	5.4
258.06680	3.5
258.26920	5.9
259.07553	44.7
259.27347	7.8
260.08325	19.8
261.09119	19.7
262.09750	2.3
263.07288	2.5
263.10666	13.0
263.73297	0.9
269.10590	4.7
269.17505	1.7
275.07083	3.0
276.07840	8.9
277.08539	1.2
278.09146	1.1
288.07959	1.7
289.08609	39.8
290.09418	5.7
291.10162	44.5
293.08051	2.6
293.11691	2.4
303.01346	2.6
305.08154	1.4
306.08868	6.1
320.30630	12.8
321.07883	4.5
321.11209	100.0
321.30905	37.5
322.11499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0242
Annotation	Luteic acid
Peak:m/z	Relative Intensity
50.45320	0.5
54.28364	0.5
54.85387	0.5
70.55769	1.0
77.21419	0.4
79.05449	0.6
91.05472	1.5
98.03324	0.5
103.05468	1.6
117.03394	1.2
119.04919	1.1
120.08147	0.6
131.04947	0.6
145.02849	1.4
147.04430	3.7
147.73405	0.5
152.68605	0.6
157.02832	2.2
163.03857	1.3
173.02333	4.3
175.03940	3.9
185.02325	2.0
187.03909	2.6
191.03386	2.4
198.42686	0.5
201.01833	11.3
203.03374	5.2
207.02888	0.8
213.01886	2.6
215.03383	2.4
217.01360	0.9
219.02837	2.3
229.01300	9.7
229.03403	0.9
231.02890	11.9
241.01292	1.9
247.02391	7.8
257.00809	23.7
259.02377	16.9
275.01855	17.8
277.03442	14.3
285.00320	16.1
303.01346	100.0
304.01489	1.0
321.02423	12.7
321.14413	0.6
322.51367	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22264	0.2
60.04528	3.2
70.02954	6.3
71.61118	0.4
74.02444	0.8
77.03934	0.3
81.07043	0.3
84.08138	0.7
88.03991	2.4
88.36450	0.2
91.05488	0.3
93.07061	0.2
95.08590	0.4
102.05542	24.5
106.49424	0.2
116.03453	0.7
118.06529	0.8
122.06068	0.4
128.04965	4.1
132.04449	2.0
136.07666	0.3
140.04008	0.2
146.06006	100.0
147.04434	0.3
147.06363	1.0
148.06053	6.7
150.06558	0.3
152.76425	0.3
174.05511	19.2
175.03984	0.3
179.67351	0.2
192.06514	0.6
201.01804	0.6
203.03452	0.3
229.01300	0.7
231.02866	0.7
243.07669	3.4
243.11324	0.6
247.02379	0.4
257.00711	1.2
259.02396	0.8
261.08731	1.4
275.01868	1.0
275.10284	5.4
277.03336	0.3
285.00317	0.8
289.08234	1.5
289.11737	0.8
303.01361	5.9
303.09607	0.8
303.12817	0.3
321.02350	0.9
321.10938	2.6
321.14395	0.6
321.17853	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70770	0.6
55.05498	0.6
56.05036	2.9
63.02368	0.6
67.05492	2.5
70.06583	1.7
71.61768	1.0
73.08881	0.5
76.12047	0.5
76.37450	0.6
81.07047	0.7
84.08147	48.1
89.03918	4.7
91.05471	0.8
98.06090	0.5
98.09682	1.6
106.09120	0.6
109.02850	0.7
117.03384	19.0
124.11229	1.2
126.12795	37.5
134.03665	1.3
135.04419	1.2
144.13847	39.4
145.02850	57.3
149.05986	6.8
158.11711	1.0
177.05473	100.0
178.05875	0.8
186.05511	0.7
260.09521	1.0
302.10089	0.7
320.18579	25.0
320.22348	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0241
Annotation	Luteic acid
Peak:m/z	Relative Intensity
51.15611	0.5
55.01864	1.3
56.02228	0.5
56.87109	0.4
65.03934	0.5
66.28941	0.6
69.03422	1.2
69.49888	3.4
70.06583	0.6
72.86501	0.4
84.08138	1.4
85.02903	1.3
91.05460	1.4
98.06046	5.3
98.09686	1.4
99.06387	2.1
100.07608	1.7
101.07966	0.9
103.05470	0.9
115.88266	0.5
117.03364	0.8
119.04961	0.7
122.06020	0.4
129.03371	0.6
131.04950	0.7
136.07492	0.4
140.10684	2.1
141.11055	1.4
145.02812	2.9
147.04408	3.3
157.02864	1.7
158.11771	13.3
159.12125	10.8
163.03903	1.2
173.02341	5.4
175.03928	4.2
177.05481	1.5
183.00722	0.8
185.02310	1.5
187.03940	2.0
191.03429	2.9
201.01823	10.2
203.03348	4.8
207.03021	0.5
213.01820	2.3
215.03362	2.1
217.01292	0.8
219.02824	2.0
219.15021	0.7
229.01344	9.5
231.02867	9.0
241.01360	1.5
247.02376	7.4
257.00809	20.7
259.00055	0.3
259.02377	13.0
275.01868	19.3
277.03436	8.7
285.00311	15.8
286.00888	0.6
303.01349	100.0
321.02420	12.2
321.17514	2.7
321.21072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79634	0.3
51.60968	0.2
53.03930	0.5
55.01865	2.7
55.05518	0.9
56.05062	0.4
57.03431	0.5
61.02921	0.6
69.03431	2.2
69.99187	1.3
70.06590	1.8
70.50916	0.3
72.28437	0.3
73.02909	0.4
81.03427	0.9
81.07049	1.6
85.02897	3.7
86.09736	0.4
87.04467	0.5
95.08608	1.6
97.02915	1.2
97.10168	0.3
98.06057	36.3
98.09695	0.9
98.21472	0.3
99.04457	0.5
109.02872	0.7
110.04199	0.3
112.07616	0.4
112.11243	2.3
114.09184	0.3
122.09685	0.3
123.08062	1.5
127.03904	0.6
130.45868	0.3
140.10707	13.0
145.04961	0.3
146.16330	0.3
158.11769	100.0
159.12103	0.4
175.28960	0.3
182.11752	0.4
236.62579	0.3
302.15854	0.5
320.16998	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	320.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.8
55.05532	0.9
56.05048	1.4
57.03446	0.4
61.02932	0.8
61.31460	0.3
62.41792	0.3
67.05518	0.3
68.73067	0.3
69.03438	1.5
70.06604	1.8
70.63910	0.3
71.01395	0.4
71.53097	0.7
73.02940	0.4
81.03429	0.9
81.07076	1.5
84.04499	0.4
84.08147	4.1
84.52677	0.3
85.02908	3.9
86.09704	0.3
95.08611	2.1
97.02914	1.4
98.06063	36.2
98.09698	5.6
99.04500	0.5
100.07623	7.0
109.02883	0.4
112.07632	0.5
112.11235	2.2
113.03898	0.3
114.09198	0.3
123.08089	1.2
127.03889	0.7
138.09140	0.4
140.10712	15.4
145.04933	0.5
156.10226	0.8
158.00017	0.5
158.11777	100.0
159.12114	0.4
168.10176	0.4
173.02347	0.4
201.01863	0.9
201.03709	0.3
229.01357	0.8
231.02948	0.7
236.02606	0.4
247.02376	0.6
257.00751	1.4
259.02325	1.4
262.12717	0.5
275.01907	1.8
277.03473	0.4
285.00076	1.3
302.15958	0.5
302.98038	0.4
303.01379	8.9
320.01013	0.9
320.16974	10.4
321.02271	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.6
56.81558	0.6
57.81066	0.5
59.21923	0.5
65.03941	0.8
67.05515	1.8
69.03451	0.5
69.07063	0.8
70.85489	0.8
70.85858	1.2
77.03924	0.6
79.05495	1.1
81.03420	0.9
81.07060	2.2
91.05487	4.1
93.07065	3.3
94.06578	0.8
95.04984	1.7
95.08586	0.9
96.08136	0.8
98.01543	0.5
105.07011	0.7
107.04990	0.5
107.08591	0.5
108.08130	2.4
122.06042	4.3
124.07595	11.5
126.05531	1.3
127.03919	0.6
136.07584	100.0
137.05983	1.1
137.09691	0.6
140.07074	1.0
147.04404	0.6
149.05997	2.7
150.05518	1.3
151.03928	2.0
152.07083	24.8
153.01868	0.5
164.07077	81.8
166.08670	1.0
177.05476	3.1
180.06685	0.5
184.09709	6.8
196.09702	16.8
198.11182	0.6
287.13956	2.8
319.16370	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.6
55.05506	0.5
56.96584	0.4
67.05508	1.1
69.42444	0.9
69.42848	2.8
72.59241	0.3
77.03921	0.5
79.05486	0.9
81.03425	0.7
81.07063	1.6
91.05488	4.7
93.05785	0.6
93.07034	3.2
94.06566	1.1
95.04967	1.6
95.08608	0.9
96.04472	0.4
96.08123	0.9
97.06566	0.5
98.97603	0.4
105.04521	0.6
105.07081	0.4
107.08585	0.5
108.04483	0.5
108.08132	2.1
109.10150	0.6
113.05953	0.4
119.08579	0.8
121.10151	0.6
122.06032	6.0
124.07590	11.5
126.05527	1.3
133.10141	0.7
135.04405	0.9
136.07578	100.0
137.05972	0.7
138.09143	1.1
140.07051	0.6
141.30281	0.4
150.05479	2.2
151.03934	0.4
152.07068	24.5
153.70715	0.4
160.86871	0.4
164.07066	85.5
165.07301	0.4
165.17747	0.4
166.08669	0.7
184.09663	4.6
196.09694	19.1
248.96573	0.4
287.13876	5.6
287.16736	0.6
289.08301	0.6
310.23428	0.5
319.16461	1.3
319.22873	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	320.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33189	0.3
55.01860	0.3
55.05503	1.2
56.05015	0.8
63.42048	0.3
68.05027	0.3
69.03411	0.7
69.07047	0.9
70.06577	0.8
71.04963	0.4
79.05499	1.4
81.03385	0.3
81.05791	0.5
82.06570	0.8
84.08134	0.6
85.02888	1.2
88.77534	0.3
94.06574	0.6
96.08132	6.6
97.08914	8.0
98.06051	0.6
98.09684	1.2
99.06835	0.7
112.11244	0.6
114.09170	7.3
122.09663	0.7
127.03890	0.4
135.42422	0.3
140.10701	14.5
141.11475	1.0
158.11763	100.0
159.12160	0.4
162.81935	0.3
223.61272	0.3
294.20319	0.3
303.01416	0.8
308.06812	0.3
320.17114	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	320.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03339	0.3
55.01872	2.7
55.05502	1.0
56.05028	0.6
57.03432	0.4
61.02922	0.7
64.39262	0.3
67.05510	0.3
69.03437	2.2
70.06606	1.9
70.38377	1.1
73.02904	0.5
81.03385	0.6
81.07070	1.7
85.02908	3.7
87.04499	0.4
89.22704	0.3
95.08583	1.6
97.02898	1.4
97.10197	0.5
98.06059	36.3
98.09688	0.9
109.02887	0.4
112.07631	0.6
112.11247	2.2
123.08061	1.1
126.79307	0.3
127.03912	0.5
128.31067	0.3
140.10706	11.1
158.11771	100.0
159.12074	0.4
168.10207	0.5
180.55415	0.3
182.11774	0.4
243.02603	0.3
302.15921	0.5
303.01440	0.6
320.17023	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	319.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	5.4
53.03944	4.5
55.01874	2.4
55.05516	18.7
56.96567	2.4
57.03434	3.1
59.28024	1.0
61.02912	2.2
63.69407	1.0
65.03929	5.6
67.01862	1.4
67.05511	7.6
68.99818	1.4
69.03436	34.4
70.06585	1.9
71.01344	1.1
71.04990	2.8
73.02917	1.3
81.03420	19.4
83.04985	100.0
85.02911	26.2
85.19700	1.0
91.05477	1.3
91.55399	0.9
93.03410	7.3
95.04952	2.4
96.80882	0.9
96.92809	1.0
97.02895	12.0
98.21613	2.2
98.97591	4.5
99.04463	2.8
105.03354	1.3
107.04917	1.4
109.02871	10.1
111.04449	47.2
116.98593	1.2
117.03357	1.3
121.02873	7.2
122.01692	1.0
127.03928	15.0
129.05544	1.5
133.02837	3.7
138.05504	1.5
139.03912	39.3
139.05742	1.6
143.00125	1.1
145.04962	1.7
151.02481	0.9
151.03893	1.2
153.01811	1.6
157.04965	21.7
161.02403	2.5
163.03943	6.0
177.93280	1.0
179.03467	2.3
182.99641	1.2
189.01830	4.3
191.03485	5.8
193.01385	1.5
201.02036	1.0
203.03415	1.5
207.02892	4.0
217.01370	5.4
219.02942	5.2
221.00836	4.4
222.93082	0.9
229.01372	1.7
229.28679	1.4
234.99045	2.1
235.02458	5.3
237.02866	1.3
245.00813	5.0
247.02419	11.3
255.08632	10.4
263.01880	2.6
273.00345	2.5
275.01929	3.0
283.08215	3.5
291.01321	2.8
300.99841	1.0
301.09140	2.3
318.97464	1.7
319.00934	25.2
319.04443	1.8
319.10135	5.5
319.13617	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	319.1
Annotation	Chlorpromazine
Peak:m/z	Relative Intensity
55.05502	0.3
56.96552	0.3
57.80855	0.1
60.04519	0.2
61.02909	0.2
68.01028	0.1
69.03428	0.6
70.06591	0.5
72.59647	0.2
73.02914	0.2
74.06086	0.2
81.03401	0.3
82.06576	0.1
83.04992	0.8
84.08145	4.4
85.02895	0.9
87.06410	0.1
93.03386	0.1
97.02881	0.3
98.09721	0.2
98.97562	0.8
99.04443	0.2
101.00909	0.4
103.00661	0.2
103.19560	0.2
103.23250	0.1
110.07171	0.3
111.04460	0.4
112.99242	0.2
113.89101	0.2
115.02429	0.2
115.23977	0.1
116.98629	0.4
119.01955	0.4
124.11266	0.3
127.03906	0.3
131.01860	0.3
133.03500	0.4
139.03804	0.2
139.05856	0.2
143.00168	0.2
143.01909	0.3
145.03471	0.3
153.01802	0.5
154.05003	0.6
155.01906	0.2
155.05347	0.6
156.06572	0.2
157.03438	0.5
157.04762	2.1
158.99690	0.2
161.02945	0.3
167.11934	0.1
171.05072	0.2
172.95261	0.2
173.02980	0.3
175.04611	0.4
178.55096	0.3
181.83957	0.2
185.04242	0.5
186.07686	0.3
193.03720	0.2
203.03867	0.2
209.31100	0.2
211.04593	0.3
221.05119	0.4
223.06676	0.2
227.44884	0.2
237.58292	0.2
245.00879	0.2
245.06461	0.3
247.02443	0.3
247.06627	0.3
257.05249	0.3
259.06735	0.6
266.09546	0.2
277.07828	0.2
284.23154	0.2
289.08923	0.2
291.05588	0.2
300.99680	0.2
301.08945	8.3
305.10721	0.2
319.10019	100.0
320.10391	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60403	1.5
56.96561	10.0
69.03419	3.4
69.09708	1.4
69.75539	7.3
70.06580	2.3
77.78086	1.4
84.08154	9.6
85.02897	6.3
89.91264	1.5
97.02881	3.0
98.97588	76.7
101.00895	5.8
112.99097	2.3
115.02446	2.2
116.98621	17.2
119.01912	6.5
124.99146	2.9
127.03910	6.6
131.00174	6.3
131.01894	2.5
133.03493	3.0
134.99681	3.8
136.93100	11.6
138.05528	2.0
139.05879	1.6
143.00175	9.0
143.01953	2.0
149.01233	8.1
153.01837	3.4
154.94191	17.2
155.00218	2.1
156.38963	1.7
157.03459	4.7
157.04700	3.5
158.99706	8.4
159.51183	1.8
161.01251	6.3
172.95244	13.7
173.01334	1.8
173.02925	2.1
175.04550	2.5
177.00735	6.3
179.02354	8.4
185.02943	2.2
190.96405	3.2
194.07237	2.7
197.03317	2.9
201.00655	2.3
205.05569	1.6
214.39668	1.6
221.03339	4.0
221.05167	2.6
223.06601	2.7
239.04369	9.6
243.03658	1.9
257.05182	1.8
259.06680	4.6
301.09003	8.9
319.01050	100.0
319.10181	97.2
319.13571	8.9
319.19553	1.7
337.02008	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	319.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	1.5
55.01875	2.2
55.71449	1.3
56.96568	8.3
58.99848	1.7
68.98302	2.5
69.03420	3.5
70.98083	1.6
71.33303	2.8
74.66494	1.6
77.00886	1.5
78.40261	1.6
85.01408	20.4
85.02902	5.0
86.99323	2.7
91.02449	1.6
94.99780	1.6
97.02903	2.2
98.97588	46.6
99.02988	1.5
101.00864	10.0
103.02444	50.0
105.00361	2.6
109.02874	2.2
112.99173	1.8
113.00851	9.5
115.02419	2.7
116.98621	10.7
117.04005	34.4
117.96488	1.7
119.01933	17.9
121.03478	20.1
125.02335	1.6
127.02432	5.5
127.03897	1.9
129.00346	19.0
129.03970	6.6
131.00194	3.1
131.01906	21.0
132.95822	1.8
133.03497	2.5
134.99695	1.9
135.05038	24.5
136.93141	5.8
137.02983	3.1
138.05487	1.9
139.02438	2.0
139.05904	2.6
143.00146	7.1
143.01883	4.7
143.03310	1.6
145.03481	39.1
147.01396	66.7
147.05066	3.2
149.01210	3.6
153.01833	13.2
154.02193	2.6
154.94168	11.4
155.01877	4.3
157.03493	16.0
157.04724	3.1
158.11742	2.7
158.99667	6.6
159.01422	1.9
159.05022	4.3
161.01251	4.2
161.02951	22.0
161.06606	3.6
163.04535	22.7
165.02472	10.4
171.01378	11.4
171.05023	2.5
172.95221	8.0
173.01353	2.8
173.02960	23.2
174.96861	2.8
175.04559	8.7
177.00659	3.3
179.02266	4.5
179.03835	2.0
183.01337	11.9
185.02985	4.6
189.02458	67.1
189.05980	2.3
190.96286	2.1
191.04051	3.7
197.03172	3.0
199.00893	18.7
201.02432	20.4
203.03903	2.7
207.03503	51.9
208.99435	1.6
212.04076	2.8
213.06006	1.7
215.04007	22.1
216.97958	1.5
217.01883	11.9
221.03284	1.7
221.05121	2.3
225.34497	1.8
227.00446	2.6
229.01733	1.7
231.03488	35.5
233.05057	13.8
234.98953	3.1
239.04340	6.4
243.03517	100.0
244.03558	2.2
245.01375	4.9
247.02365	1.9
249.04633	8.9
257.05246	2.2
259.03027	57.2
273.09424	1.6
277.03998	11.1
287.02460	17.4
301.03918	2.0
319.00977	57.5
319.05078	26.8
319.09848	13.4
319.13571	18.7
331.02805	1.5
337.02017	6.2
340.41727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.05500	0.6
57.03430	1.5
58.39978	0.5
61.02919	0.9
67.05479	0.6
69.03433	3.5
71.30837	0.8
72.77214	0.5
73.02899	0.7
79.05492	0.6
81.03431	1.0
81.07049	0.5
82.06570	1.0
85.02904	7.3
87.04444	0.6
91.29675	0.5
93.07023	1.6
93.32434	0.5
95.08607	1.6
95.50274	0.5
96.04507	3.3
96.08131	2.0
97.02894	3.0
97.05258	1.8
97.06537	0.7
99.04472	0.5
100.07622	1.2
109.02873	0.9
109.06520	0.8
110.06035	5.9
110.09689	3.1
111.08057	1.0
120.08086	0.6
121.06522	0.9
123.47120	0.4
124.11231	1.3
125.08360	0.6
126.09160	8.3
127.03902	1.6
138.05540	0.6
138.09148	21.7
139.07535	1.8
145.04980	0.6
152.10645	0.6
156.10204	100.0
168.10202	1.1
180.10251	0.7
198.11267	1.2
247.02477	0.7
279.67593	0.5
318.15485	2.6
319.00800	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2847
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01876	0.5
55.05513	4.7
56.05034	4.1
57.07078	2.2
60.04527	100.0
67.00464	0.5
67.05501	8.8
68.05038	0.8
69.07063	4.9
69.44028	0.7
69.44369	4.5
70.06586	0.8
71.08643	1.0
72.04518	2.3
73.02941	0.5
74.06080	2.9
79.05491	3.7
80.05003	0.9
81.06618	0.9
81.07059	8.9
82.06577	2.0
83.08632	3.1
83.41557	0.5
86.06062	1.0
90.05560	1.6
91.05507	1.1
93.07049	2.9
94.06580	0.6
95.08604	6.6
96.08146	0.5
97.10162	1.5
98.21543	1.2
105.07040	1.1
107.08615	2.0
108.08061	0.7
109.10131	2.8
112.07605	0.7
116.07088	0.6
119.08597	1.7
121.10133	1.3
123.11699	0.6
133.10110	1.1
135.11711	1.2
137.13190	0.6
182.97949	0.5
207.20874	0.6
250.25302	1.2
262.25375	1.8
268.26239	0.8
280.23285	0.6
280.26361	11.9
298.24042	0.8
298.27408	14.7
316.28482	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	318.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.7
55.05491	0.4
56.96568	1.4
57.03440	0.6
61.02933	1.2
67.04259	0.4
67.05513	0.4
68.05025	0.5
69.03438	2.5
69.81754	1.7
70.06590	0.7
71.04997	0.6
73.02929	0.4
81.03424	1.1
82.06580	0.8
84.08159	1.0
85.02911	4.9
86.09696	0.4
87.04470	0.4
89.57948	0.3
96.08202	0.5
97.02903	2.5
98.09719	0.4
98.97601	4.1
99.04467	0.5
107.08633	0.4
109.02897	0.7
110.06061	6.8
116.98635	1.0
119.01881	0.4
122.09770	0.4
124.11241	1.1
127.03902	1.7
130.21043	0.3
131.00230	0.5
136.03929	0.4
136.11156	0.4
136.93127	0.7
137.06007	0.7
138.05510	100.0
138.12790	0.8
139.05862	0.6
140.10641	0.5
143.00188	0.6
144.98112	0.5
145.03528	0.5
145.04985	0.5
147.04398	0.4
153.01819	1.3
154.02142	0.5
154.04985	2.6
154.94185	0.9
156.06566	44.2
158.07986	0.4
158.99706	0.4
161.01245	0.4
172.95341	0.8
178.08685	0.4
203.04065	0.4
205.03439	0.3
221.05051	0.5
223.01315	0.4
238.14449	0.8
239.04506	0.4
246.85307	0.3
256.15463	0.5
300.14444	1.1
318.11987	0.5
318.15457	3.0
318.18881	0.6
319.01056	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21600	0.8
55.05510	1.6
62.45458	0.7
69.03418	1.1
69.07017	0.7
69.44225	3.4
69.44632	2.0
77.24822	0.6
79.01890	0.6
79.61993	0.6
81.03424	1.7
81.07043	2.2
81.38306	0.8
85.02889	1.4
97.05302	0.8
98.09700	0.9
98.21514	1.4
98.97581	1.7
108.08133	1.3
109.06503	1.5
111.06793	1.0
124.07607	1.6
125.02309	0.8
126.09126	1.2
138.09180	1.2
139.06223	1.1
143.03413	0.7
153.01848	8.1
153.17200	0.6
154.02162	9.8
154.08633	100.0
177.09138	0.7
193.60892	0.8
249.48155	0.7
286.40427	0.8
298.06277	1.0
316.15036	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	315.0863
Annotation	3,6-Dihydroxy-5,7-dimethoxyflavone
Peak:m/z	Relative Intensity
55.05520	0.8
56.96563	1.1
57.03432	0.7
57.89964	0.5
62.71323	0.5
67.05511	1.3
69.03434	1.9
69.07069	1.0
71.61978	0.7
79.05491	1.1
81.03432	2.3
81.07072	1.8
83.04996	0.7
85.02898	1.6
85.06548	0.7
86.84058	0.5
91.05499	2.3
93.07066	2.1
95.04991	0.6
95.08611	1.6
97.02862	1.0
98.97587	1.6
99.04475	0.6
103.05510	0.8
105.07008	3.1
107.04992	0.8
107.08611	1.4
108.02162	0.6
109.02884	2.2
115.05429	0.8
117.07007	0.8
119.08590	1.6
121.06545	0.9
121.10168	1.6
125.02386	0.9
127.03932	1.9
131.04941	1.7
131.08589	1.6
133.06445	1.1
133.10139	1.5
135.08044	1.0
137.06017	1.6
143.03366	1.1
143.08574	1.5
145.10170	0.8
146.03638	2.4
147.08026	1.2
147.11742	0.6
149.09631	0.7
152.06223	1.4
153.01831	22.9
153.02759	1.2
155.08572	1.0
159.08119	1.7
159.11687	1.5
161.05980	5.3
161.09569	1.3
165.07024	1.8
166.07846	0.9
167.08577	1.6
171.02873	1.2
171.11665	1.1
176.06155	0.6
177.07030	1.7
179.08490	0.7
181.06525	1.1
182.07292	0.6
190.31194	0.5
191.07114	1.5
194.07323	1.3
195.08076	4.6
197.05952	1.0
205.06523	0.8
208.05174	1.2
209.09584	0.7
211.07695	0.6
212.08232	0.8
222.06816	1.9
223.07510	4.2
224.08325	1.4
225.05580	1.7
233.27727	0.6
237.09155	0.7
239.07040	1.0
239.14438	0.7
240.07883	1.6
241.08693	1.2
242.05708	3.4
251.07069	1.9
253.05090	1.1
254.05801	2.3
255.10164	4.7
257.04434	1.1
265.08569	1.7
268.07382	1.2
269.08075	1.9
271.05994	17.6
271.08734	1.1
282.05280	1.3
283.06506	1.2
283.09641	16.1
284.10416	1.7
285.03989	2.2
285.07574	0.8
286.04703	5.5
297.04001	2.2
297.18619	0.8
299.05502	58.3
300.06256	9.0
300.09622	0.7
315.08652	100.0
315.12177	8.6
315.19366	2.3
316.09036	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	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02381	0.6
51.19595	0.3
53.03937	1.1
54.59989	0.3
55.01863	0.7
57.03429	0.8
63.71494	0.2
69.03430	5.1
71.04997	0.5
71.10037	0.6
79.01857	5.1
81.03421	8.4
85.02908	4.6
92.22708	0.3
93.85266	0.3
97.02902	2.9
98.50002	0.2
99.04456	0.7
107.01323	2.2
109.02890	5.9
125.02370	4.3
127.03922	5.9
127.04793	0.5
143.03412	7.0
145.04999	0.3
153.01836	100.0
153.02876	5.3
154.02177	0.3
171.02898	4.1
297.06058	4.2
315.07092	0.6
315.14023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02381	0.5
51.34624	0.3
51.53629	0.3
52.76144	0.3
53.03935	1.3
55.01865	0.5
55.18866	0.3
57.03421	0.6
61.02919	0.6
69.03078	0.4
69.03434	5.5
70.09228	1.1
70.09628	0.7
71.04993	0.5
79.01862	4.1
81.02966	0.7
81.03419	9.7
85.02912	5.3
97.02899	3.7
97.20568	0.3
98.97613	0.4
99.04446	0.9
107.00700	0.4
107.01311	2.2
109.02879	6.0
109.03574	0.5
125.02347	4.3
127.03920	5.4
143.03419	6.6
153.01837	100.0
153.02870	4.8
163.03894	0.4
171.02895	4.7
187.92690	0.3
249.05887	0.4
297.06052	5.6
315.07184	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
50.96679	0.2
51.02375	0.3
53.03938	0.9
55.01876	0.6
55.05508	0.2
56.96553	0.5
57.03434	0.6
67.05499	0.5
69.03432	4.1
69.07080	0.3
69.38338	1.7
69.38758	0.5
71.01343	0.2
71.04967	0.2
79.01857	4.0
79.05498	0.6
81.03420	7.8
81.07066	0.6
85.02903	4.7
91.05474	0.7
93.07044	0.8
95.08619	0.4
97.02901	2.3
98.97554	0.6
99.04445	0.8
102.28805	0.2
103.05443	0.3
105.07050	1.4
107.01322	2.0
107.08594	0.4
109.02879	5.4
109.10165	0.3
115.05424	0.3
116.98611	0.2
119.08580	0.8
121.06528	0.5
121.10184	0.3
125.02353	4.3
127.03921	5.9
127.33826	0.3
131.04916	0.8
131.08571	0.4
133.10112	0.5
137.05981	0.6
143.03397	5.8
143.08609	0.4
145.04950	0.3
145.10170	0.3
146.03619	0.3
147.11725	0.3
151.07533	0.4
152.06190	0.3
153.01831	100.0
153.02863	5.2
154.02150	0.3
155.08447	0.3
159.08025	0.4
161.06001	2.9
161.09601	0.4
165.06979	0.9
167.08554	1.0
169.06482	0.3
171.02887	5.6
173.09784	0.3
177.07007	0.5
183.11592	0.3
191.07040	0.5
194.07271	0.6
195.02910	0.3
195.08060	1.7
195.11604	0.3
197.05901	0.3
208.05234	0.6
210.06880	0.2
211.07510	0.4
212.08385	0.3
222.06699	0.6
223.07579	2.2
225.05569	0.5
225.15358	0.2
237.09172	0.6
239.07056	0.5
240.07838	1.0
241.08467	0.3
242.17979	0.2
251.07047	0.6
255.10182	2.4
265.08682	0.6
268.07343	0.5
269.07980	0.6
283.09668	7.4
284.10489	0.8
287.12958	0.3
297.06033	3.4
297.18494	0.3
315.07272	1.7
315.12207	4.3
315.15649	0.4
315.19611	0.7
315.23126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0709
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02380	0.4
53.00291	0.1
53.03947	1.5
55.01867	0.5
56.59828	0.1
57.03438	0.8
61.02926	0.7
62.40834	0.1
65.47820	0.1
69.03432	6.7
70.99471	0.2
70.99790	0.2
71.01323	0.1
71.04984	0.6
73.02917	0.4
79.01854	4.8
81.03419	15.4
83.01344	0.2
85.02907	4.4
85.03422	0.3
87.15073	0.1
95.01777	0.1
97.02895	4.5
99.04457	1.6
100.45133	0.2
107.01320	2.2
109.02883	8.0
125.02349	4.5
127.03927	5.5
127.04888	0.2
135.09190	2.4
143.03401	6.3
145.04967	0.3
150.41005	0.2
153.01833	100.0
153.02875	5.3
153.10231	0.8
154.02216	0.5
171.02888	4.2
191.03409	0.4
207.02985	0.1
215.12669	0.2
233.04373	0.2
236.72313	0.1
237.03969	0.3
255.05077	0.2
297.06058	9.5
311.00076	0.1
315.07062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02381	0.6
53.03947	0.6
55.01876	0.5
57.03423	0.9
59.05438	0.3
61.02913	0.6
63.83382	0.3
69.03430	4.8
69.63825	1.6
71.01366	0.4
71.04983	0.4
73.02894	0.4
79.01861	4.6
81.03419	7.0
85.02409	0.4
85.02907	5.2
90.92818	0.3
97.02893	3.0
97.79814	0.3
99.04435	0.5
107.01334	2.6
109.02875	5.0
114.47715	0.3
125.02352	4.4
127.03922	4.6
131.83984	0.3
143.03404	6.0
153.01836	100.0
153.02885	5.3
154.02206	0.4
171.02916	4.9
179.20560	0.4
198.79865	0.3
238.55051	0.3
297.06122	3.3
302.55020	0.3
315.07169	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.4
53.03942	0.9
55.01880	0.4
57.03427	0.8
69.03433	4.6
70.09171	1.2
71.05006	0.3
79.01855	4.2
81.03422	6.3
85.02901	4.6
89.00580	0.2
97.02900	2.7
99.04478	0.7
107.01312	2.5
109.02885	5.0
125.02357	4.7
127.03919	5.8
135.00742	0.3
143.03413	5.8
153.01836	100.0
153.02869	5.0
154.02180	0.4
171.02899	5.0
222.12265	0.3
235.49530	0.3
297.06104	2.8
315.07272	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02380	0.5
53.03940	0.9
55.01865	0.3
57.03426	0.6
61.02936	0.4
69.03070	0.3
69.03432	5.0
70.72397	0.3
70.72731	0.3
71.05007	0.3
73.02904	0.2
79.01855	4.7
81.03418	7.7
85.02905	4.6
97.02901	2.8
99.04446	0.8
104.12522	0.2
107.01315	2.6
109.02877	5.2
125.02346	4.3
127.03925	5.4
129.73108	0.2
143.03403	6.7
153.01833	100.0
153.02879	5.6
154.02161	0.3
166.43965	0.2
171.02890	5.2
208.05330	0.4
229.35727	0.2
233.46935	0.2
241.72368	0.2
261.92313	0.2
261.95599	0.2
277.82877	0.2
297.06073	3.3
299.34186	0.2
315.06915	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
51.38892	0.2
53.03938	0.8
55.01863	0.4
57.03421	0.5
60.72538	0.2
69.03426	4.3
69.56703	1.3
69.57105	0.3
71.04993	0.4
77.85502	0.2
79.01855	4.8
81.03416	6.8
85.02405	0.4
85.02909	5.3
88.08459	0.2
97.02901	2.6
99.04439	0.5
107.01323	2.8
109.02882	5.2
120.20045	0.2
123.15962	0.2
125.02354	4.2
127.03033	0.2
127.03922	6.1
143.03406	6.3
143.04483	0.4
153.01833	100.0
153.02885	5.8
154.02168	0.6
171.02879	5.1
204.86478	0.2
297.06094	2.6
315.07040	1.0
315.12579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.071
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.5
53.03935	1.0
55.01865	0.5
57.03428	0.7
59.55521	0.2
66.88790	0.2
69.03432	4.6
70.75604	0.7
70.75968	0.2
71.04990	0.3
79.01457	0.3
79.01865	4.7
81.03420	7.5
85.02907	5.1
96.24940	0.2
97.02905	3.3
98.21489	0.2
98.40929	0.2
99.04444	0.6
100.56469	0.2
106.20343	0.2
107.01310	2.5
109.02894	5.5
125.02346	3.8
127.03918	5.1
135.00813	0.5
143.03404	6.3
145.04941	0.3
153.01836	100.0
153.02879	5.3
154.02138	0.3
162.05493	0.5
171.02885	4.8
171.04204	0.4
257.00809	0.4
269.18958	0.3
283.09744	0.5
285.00241	0.4
290.12918	0.2
297.06046	3.4
315.01523	2.1
315.07034	1.4
315.12750	0.6
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
55.01866	0.3
56.96554	0.5
57.03435	0.8
61.01155	0.9
61.02921	0.4
67.05504	0.6
69.03424	2.9
70.06590	0.7
70.48699	0.8
73.02913	0.7
76.23836	0.2
79.01842	0.3
81.03413	0.8
85.02900	1.8
86.99114	0.3
87.02676	0.3
89.06023	0.6
92.05017	0.5
97.02898	45.6
98.03217	0.4
98.97581	1.0
106.54305	0.3
106.81934	0.3
108.08125	7.7
109.02854	0.5
119.01707	0.3
119.03536	1.3
123.06768	0.6
124.07576	1.5
127.03932	0.8
134.06053	1.2
134.09651	0.7
135.05487	0.4
136.06189	100.0
137.04604	0.6
137.08481	0.3
143.01668	2.1
143.03412	0.5
148.06151	1.0
152.07076	5.6
152.10725	1.9
153.01842	5.2
161.02724	1.2
162.07733	0.5
164.05693	5.8
164.07021	0.4
168.81252	0.3
176.05737	0.3
176.10736	0.3
178.07249	2.7
179.03725	1.7
201.00667	0.3
201.13966	0.3
203.72064	0.3
204.10213	0.7
220.08295	0.3
222.69669	0.3
237.02794	0.4
248.07724	0.9
249.13757	0.3
250.09259	0.5
278.07007	0.8
280.49792	0.3
296.08099	4.1
296.11093	0.3
311.37817	0.4
314.09064	7.7
314.12326	8.0
314.16013	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0711
Annotation	Norbergenin
Peak:m/z	Relative Intensity
51.02381	0.6
53.03939	0.6
55.01867	0.5
55.05530	0.2
57.03428	0.7
61.02927	0.2
62.17036	0.2
65.69427	0.2
67.05502	0.3
69.03429	4.6
70.65611	0.4
71.04982	0.3
73.02914	0.2
79.01856	5.0
79.05515	0.2
81.03416	6.0
81.07058	0.3
85.02419	0.3
85.02911	5.4
85.03421	0.3
87.00820	0.2
87.04529	0.2
91.05462	0.3
95.08630	0.2
97.02896	2.6
98.97605	0.2
99.04466	0.5
105.07059	0.5
107.01328	2.6
107.08605	0.4
109.02121	0.2
109.02878	4.6
109.06469	0.2
121.10139	0.2
123.00751	0.3
123.08076	0.2
125.02354	4.5
127.03915	5.3
131.04916	0.3
133.10147	0.2
135.08092	0.3
137.05937	0.3
143.03404	7.0
143.08549	0.2
145.10162	0.2
147.04463	0.2
147.08003	0.2
153.01833	100.0
153.02864	5.2
154.02211	0.3
161.06017	0.7
166.07851	0.2
171.02888	5.7
189.40921	0.2
194.07204	0.3
195.08072	0.5
208.05225	0.4
213.02419	0.3
223.07524	0.7
239.07060	0.3
240.07689	0.3
241.08653	0.2
251.07040	0.3
255.10168	0.7
269.07950	0.3
272.06876	0.2
283.06332	0.3
283.09589	2.0
297.06033	1.7
315.07101	1.0
315.11914	1.1
315.19662	0.2
318.66318	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.05507	8.8
57.03439	2.0
57.06822	0.9
57.07080	13.7
65.03934	1.9
67.05159	1.3
67.05503	21.2
69.07069	12.4
70.33104	2.1
70.33463	1.8
71.04975	1.2
71.08637	6.5
79.05050	1.4
79.05492	25.7
81.07056	21.8
83.04975	6.2
83.08620	9.6
85.06541	2.7
85.10183	2.9
87.84750	0.8
91.05483	9.0
93.07045	17.1
95.04955	1.5
95.08608	35.5
97.06516	2.8
97.10165	2.3
105.07033	15.2
107.04977	1.2
107.08595	73.9
109.06484	1.3
109.10165	30.2
109.10907	1.6
111.04443	3.0
111.11729	1.2
113.09624	0.8
117.07012	2.1
119.06020	0.8
119.08586	18.3
121.06519	1.8
121.10152	23.3
123.08113	1.6
123.11704	11.7
129.06993	1.3
131.08565	8.1
133.10144	16.3
133.11118	0.6
135.08055	3.2
135.11714	8.5
137.09605	2.7
137.13271	2.3
139.66989	0.8
141.06984	1.1
143.08597	5.0
144.09399	1.2
145.10139	16.5
147.08057	1.3
147.11682	10.2
148.42595	0.7
149.09595	0.9
149.13269	6.6
151.11247	1.1
151.14848	0.9
155.08563	2.9
156.09320	1.0
157.10126	7.9
158.10896	2.2
159.11700	13.2
161.09593	2.2
161.13243	7.5
163.11212	6.9
163.14828	3.2
169.10139	5.1
170.10983	1.4
171.11720	7.1
172.12466	1.3
173.13251	9.4
175.11162	2.3
175.14830	15.1
177.12726	1.7
177.16377	22.5
182.11011	1.0
183.11693	6.1
185.13245	8.1
187.14815	14.3
189.12773	2.4
189.16373	6.4
191.14363	1.7
197.11501	1.3
197.13148	5.9
199.14853	7.0
201.16414	8.0
203.14337	2.9
203.17979	2.6
205.15887	30.8
207.17542	1.4
211.14728	4.1
213.16389	6.3
215.17978	6.8
217.15901	3.9
217.19733	1.1
219.17479	2.6
225.16377	8.0
227.17967	3.1
229.15904	1.9
229.19579	2.8
231.17465	1.6
237.16405	1.0
239.17944	7.4
243.17505	2.7
253.19563	5.7
255.21072	8.2
257.19064	2.5
267.20996	2.3
269.22595	1.5
271.20676	1.6
285.25763	16.4
295.24210	52.2
296.24615	1.0
313.03772	1.0
313.07330	1.1
313.25244	100.0
314.25659	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	9.7
57.03185	1.7
57.03442	20.2
57.07078	63.1
66.00497	0.7
67.05169	0.9
67.05505	13.2
69.07074	12.5
71.08635	42.5
71.62155	1.0
79.05494	1.9
80.00336	0.8
81.07060	18.4
83.04977	2.9
83.08620	15.0
85.06528	1.6
85.10184	21.1
85.25076	0.9
87.04444	1.1
89.06026	2.6
91.05477	1.9
93.07024	2.4
93.78026	0.8
95.08611	28.4
97.10165	7.1
103.07569	3.3
105.07037	3.5
105.40761	0.7
107.08578	4.1
109.10159	14.3
111.04398	1.8
111.11708	1.1
117.07044	1.2
117.09144	1.0
119.08574	3.1
121.10110	1.3
123.11703	5.4
125.13254	1.0
131.08603	1.9
133.10118	1.1
135.11659	0.9
137.13246	2.2
143.08507	1.0
145.10091	1.9
147.11703	1.7
155.08563	1.1
157.10141	1.8
159.11673	2.2
161.13254	1.3
165.16486	1.0
169.10251	0.9
171.11700	1.9
173.13240	3.3
183.11682	1.0
187.14851	1.1
197.13289	2.5
211.14870	1.7
225.16466	1.3
239.23666	4.7
243.13870	1.7
257.24759	7.7
264.84985	0.8
267.21054	10.2
275.25504	0.9
285.22128	1.0
295.20389	0.8
298.27457	0.9
313.22040	11.6
313.27393	100.0
313.36432	2.1
314.27750	1.4
336.89453	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1071
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
53.83609	0.4
55.01867	1.2
57.94012	0.4
65.03931	1.6
67.05492	0.5
68.99787	0.9
69.07063	0.6
71.01269	1.0
79.05486	0.7
81.07040	1.1
91.05470	0.9
92.62292	0.5
95.01308	0.6
95.04964	0.5
95.08601	0.5
98.97581	0.5
105.07040	0.5
107.08629	0.6
109.10172	0.5
110.11179	0.4
115.05428	0.8
117.07004	0.8
121.02852	0.6
123.11695	0.6
126.09187	0.5
131.04851	0.5
135.04422	5.7
137.05971	0.9
139.05490	0.4
141.06973	0.5
145.06462	1.7
147.04388	0.5
149.02350	24.9
149.05876	0.7
151.03903	1.1
151.07524	0.5
152.06163	1.9
153.06999	5.6
153.96794	0.4
155.08633	0.5
165.07002	3.5
166.07748	2.3
167.08493	0.9
168.05695	1.6
170.15407	0.9
173.05965	0.9
178.07805	0.6
179.08562	0.8
181.04964	0.9
181.06493	12.7
181.10092	1.8
183.08083	3.3
188.03410	0.7
189.06992	0.4
190.07780	1.6
191.08553	6.3
193.06546	0.5
194.07251	3.0
195.08040	1.3
196.05284	1.2
197.05991	1.1
198.14900	0.7
205.06396	0.5
206.04240	0.4
207.08080	0.5
209.06015	9.4
209.09608	14.1
210.06744	0.9
211.07539	1.7
219.08055	4.1
222.06750	0.8
224.04756	0.5
225.05412	0.7
226.06169	1.0
226.14374	0.7
235.07472	0.5
237.05594	3.0
237.09111	16.5
238.06259	1.5
239.07024	3.8
247.07491	1.0
249.09061	0.8
252.07887	0.8
253.04935	1.0
254.05753	24.2
255.06192	0.5
265.08588	1.6
267.06537	100.0
267.10129	37.8
268.06967	1.4
268.10425	0.4
277.08627	1.3
280.07281	1.6
285.11203	1.6
295.09668	41.0
296.10001	0.8
313.10709	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1069
Annotation	Phaeochromycin A
Peak:m/z	Relative Intensity
53.03934	1.4
53.92091	1.0
55.05499	3.2
56.96571	14.1
57.07077	2.3
65.03929	4.2
67.05064	1.1
67.05486	4.3
67.39684	1.1
69.03429	1.8
69.07053	5.0
79.05473	2.9
81.07046	6.9
83.05002	1.3
83.08625	1.8
91.05476	4.2
92.05009	6.5
93.07032	4.3
95.08600	7.2
97.10202	1.6
98.21264	6.5
105.07037	6.2
107.08596	3.5
109.10189	3.3
115.05461	1.7
116.98618	2.2
117.07011	1.2
119.08588	4.1
119.53492	1.2
121.10118	2.7
123.11746	1.4
126.09174	14.2
131.08545	2.2
133.10115	2.1
135.04396	4.6
137.05957	2.5
138.05487	5.3
143.08562	1.3
145.06506	2.1
145.10147	2.4
147.11668	1.7
149.02339	23.2
151.07541	1.6
152.06256	2.7
153.01822	2.1
153.06990	5.0
157.10210	1.4
159.11679	1.4
165.05731	1.4
165.07030	4.7
166.07774	3.0
168.05692	2.0
171.11775	1.5
181.06462	9.9
181.10139	3.4
183.07974	2.7
188.03441	22.6
190.07796	1.2
191.08595	4.1
194.07295	3.0
206.04527	18.7
209.06029	7.1
209.09601	15.1
210.06648	1.5
211.07652	1.8
219.08089	3.4
225.12691	1.2
237.05362	3.3
237.09140	19.3
237.11372	2.3
238.06274	1.7
239.07060	2.7
249.09225	1.6
252.07881	1.4
253.08499	1.4
254.05751	23.4
265.08655	2.0
267.06525	100.0
267.10120	38.7
268.06653	1.6
277.08496	2.1
280.07269	1.9
285.11273	1.4
290.16739	1.3
295.09659	43.3
296.09824	1.5
298.08395	1.3
301.16644	2.9
301.67102	2.5
313.07251	2.7
313.10666	27.3
313.14188	1.7
313.17694	1.4
313.21512	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	313.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34887	1.5
57.07063	2.8
65.03934	1.9
69.03416	2.3
70.06572	1.9
71.61292	2.8
84.08121	1.7
86.09623	2.1
91.05478	4.2
95.04998	2.2
95.08661	1.6
97.02818	1.8
103.05491	3.3
108.52931	1.9
111.04491	3.9
115.72202	1.8
119.04945	3.1
121.02848	3.4
131.04922	22.2
136.07561	2.0
139.03911	8.9
147.04399	9.2
151.03857	4.1
153.01848	2.0
157.02837	2.4
159.04417	43.0
163.03908	6.5
165.01793	2.2
167.03403	100.0
172.71098	1.7
175.03893	10.9
177.05518	10.6
178.02643	2.1
179.03409	6.1
180.08798	4.4
181.01273	6.4
181.09096	7.8
187.03908	42.0
191.03397	5.0
195.02881	15.2
203.03429	18.7
205.03391	1.9
205.04958	70.7
207.02887	63.0
215.03406	42.1
221.04440	6.4
231.02892	73.5
233.04457	71.7
235.02214	2.0
249.01534	2.9
249.03955	34.4
267.05008	6.3
271.98004	1.7
277.03430	16.9
295.01389	3.4
295.04492	42.7
313.08755	13.8
313.11685	1.6
313.27527	3.2
335.21881	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0553
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.1
70.77885	4.6
70.78244	3.0
91.05489	2.8
98.97565	2.4
103.05511	3.3
109.42783	1.9
111.04399	3.0
111.13870	1.9
119.04936	3.9
121.02855	2.6
125.79714	2.0
131.04938	25.3
132.66910	2.1
133.02892	2.5
139.03877	12.4
147.04405	9.1
149.02345	2.4
151.03836	5.1
157.04996	2.1
159.04417	49.9
163.03867	5.4
167.03406	100.0
169.53346	2.1
175.03928	10.8
177.01781	3.2
177.05481	15.5
178.02618	3.5
179.03368	7.2
181.01283	6.1
183.36423	2.0
187.03912	49.3
191.03323	2.0
193.04924	3.8
195.02876	16.6
203.03407	19.4
205.04956	69.9
207.02898	69.8
215.03387	45.2
221.04463	8.1
231.02893	78.7
233.02080	3.9
233.04448	76.8
249.03957	41.0
259.02417	2.4
267.05005	5.8
277.03415	18.0
295.04483	47.9
313.08850	13.4
313.27283	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0704
Annotation	1-Methoxy-3-hydroxy-2-carbomethoxy-9,10-anthraquinone
Peak:m/z	Relative Intensity
58.43169	0.3
58.75051	0.4
68.34186	0.4
70.85446	1.2
81.07012	0.5
90.17572	0.4
91.05451	0.8
91.99413	0.4
93.06995	0.7
95.08513	0.8
109.10068	0.4
111.71049	0.5
115.05387	1.0
119.04890	1.0
129.06952	0.6
131.04729	0.6
135.04396	3.0
137.05928	0.5
139.05418	14.5
140.06133	0.9
141.07036	2.0
147.04381	0.6
149.02350	4.9
152.06158	0.6
153.07042	2.2
154.07611	0.4
155.04857	0.9
155.08549	2.5
159.07983	0.5
165.06987	7.0
167.04918	14.2
168.05667	6.4
169.06473	2.0
181.06412	1.5
183.04425	0.6
183.06462	0.8
183.08041	11.2
185.05884	1.0
193.06445	0.6
194.07254	0.5
195.04413	11.6
196.05151	2.4
197.05962	5.2
201.05475	2.0
209.05904	1.5
209.09631	0.6
211.07542	12.4
212.04657	0.7
213.05490	2.3
215.03371	3.5
223.03865	4.7
224.04686	0.8
225.05461	42.1
226.06140	2.2
227.07114	0.6
229.04965	3.9
237.05342	0.9
237.09196	0.5
239.07056	4.7
240.04144	1.0
241.04800	1.2
241.08620	9.9
243.02835	2.9
251.03349	1.0
253.04956	29.8
254.05740	22.6
255.06393	2.1
257.04492	3.9
267.06500	4.3
267.10089	1.8
268.03635	0.7
269.04492	0.7
269.07724	0.5
271.05997	12.3
280.03732	0.8
281.04437	100.0
282.04773	1.4
283.06104	0.7
285.04279	0.9
285.07532	11.7
295.09659	2.1
298.04733	1.0
299.05493	13.9
313.07065	34.0
313.10440	1.9
313.21387	0.7
314.07159	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2944
Annotation	labd-13-en-8alpha-,15 diol
Peak:m/z	Relative Intensity
53.03943	2.0
55.01860	2.3
55.05259	2.1
55.05513	34.0
57.07080	15.2
59.04988	6.2
59.92452	1.6
61.77116	1.5
67.05508	19.5
69.03426	2.2
69.07069	100.0
69.43820	3.7
69.44233	9.6
70.03783	1.5
71.08622	6.8
73.95248	1.4
79.05479	6.8
81.03397	1.8
81.07057	67.9
83.08622	33.2
85.06554	16.0
85.10184	2.1
91.05468	5.1
93.07046	15.7
95.04918	2.0
95.08611	64.3
97.06528	5.4
97.10175	19.2
99.08104	11.2
105.07032	2.8
107.08586	16.5
109.10162	38.8
109.25343	1.7
111.08072	4.4
111.11728	18.6
117.32748	1.5
119.04941	2.3
119.08559	1.9
121.10172	11.5
123.11729	22.1
125.09586	2.2
125.13282	3.1
127.11214	1.5
135.11688	8.0
137.05983	3.8
137.13278	10.3
139.11194	5.3
145.10083	1.8
147.04399	3.0
149.02129	2.3
149.04929	2.4
149.13254	9.9
149.97868	1.9
151.14868	7.5
153.12752	3.1
163.14833	5.5
165.16338	2.7
167.14355	3.6
172.24930	1.5
177.16403	2.4
226.92093	1.9
251.10672	2.0
275.27338	3.3
293.28421	9.5
311.07278	2.2
311.12930	5.2
311.29434	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06419	1.3
53.03938	1.8
53.30347	1.3
55.05256	2.3
55.05511	38.5
56.96568	2.8
57.03442	2.2
57.07078	16.9
63.38334	1.5
65.62374	1.3
66.77107	1.4
67.05507	25.7
67.46252	1.3
69.03418	4.5
69.07069	100.0
71.04990	2.8
71.08626	6.3
71.61736	2.4
73.06546	2.7
74.72383	1.3
78.10908	1.3
78.45933	1.4
79.05489	12.6
81.03429	2.3
81.07058	77.1
83.04988	3.1
83.08619	39.6
85.02879	2.8
85.06548	17.4
85.10165	2.2
91.05473	5.2
93.07056	25.7
95.04951	1.9
95.08610	79.7
97.02869	2.4
97.06532	5.7
97.10176	16.8
98.97569	2.4
99.08099	12.5
105.07048	5.3
107.08598	23.5
109.02905	2.1
109.06510	3.4
109.10157	44.2
109.10908	2.6
111.08085	8.3
111.11726	19.7
113.09627	2.5
113.44275	1.6
119.04935	3.0
119.08585	2.8
121.06540	2.5
121.10137	9.2
122.53761	1.7
123.08080	1.6
123.11707	22.1
125.09634	2.6
125.13274	5.0
127.03928	2.3
133.06549	1.6
135.11699	13.2
137.05923	9.7
137.13251	8.2
147.04404	6.1
147.11734	2.0
148.04793	3.0
149.02271	4.3
149.05009	2.1
149.09601	2.4
149.13255	12.0
151.14806	8.0
153.12759	13.9
163.14810	5.7
165.16402	4.3
167.14276	3.5
177.16403	2.1
184.17084	1.7
187.07651	2.7
190.07736	1.4
219.08090	4.1
246.13412	1.6
251.10677	3.2
275.19849	2.1
275.27353	2.3
279.06735	1.6
279.10202	3.8
293.28320	5.3
296.10141	1.6
311.07043	2.5
311.09555	3.5
311.12469	8.2
311.29416	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01875	2.1
55.05511	66.1
57.03438	26.0
57.07076	28.6
67.05198	1.1
67.05504	10.5
69.07069	70.0
69.90781	2.9
69.91191	1.6
71.08632	17.9
73.02906	1.6
73.06569	1.1
76.88328	0.7
79.05496	6.9
81.07059	12.3
83.04977	2.3
83.08619	60.2
85.06578	1.0
85.10182	6.1
86.28682	0.7
91.05479	1.9
93.07049	7.9
95.08131	1.0
95.08626	10.4
97.06546	5.1
97.10171	42.2
98.20771	1.1
101.06004	0.9
105.06996	3.1
107.08590	5.7
109.10159	4.9
111.08111	3.9
111.11719	12.0
112.83009	0.7
121.10152	7.0
123.11688	2.3
125.09642	3.1
125.13269	3.8
133.06464	1.2
135.04399	1.2
135.08034	1.1
135.11711	6.1
137.13257	1.4
139.11192	1.4
142.52757	0.9
149.02104	1.7
149.13225	2.8
161.09671	1.1
163.89850	0.9
209.11705	3.0
219.21068	2.5
237.11206	2.8
237.22098	0.8
260.62979	0.8
260.77408	0.8
311.07504	4.0
311.25809	100.0
312.26166	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03949	1.5
55.01877	2.1
55.05513	58.6
55.16798	0.9
56.96546	1.1
57.03440	22.8
57.07078	31.1
67.05502	9.7
67.81773	0.9
69.07069	70.2
71.02257	0.9
71.08633	19.3
73.02892	1.4
79.05493	6.9
81.07053	13.2
83.05009	1.8
83.08620	60.7
85.10188	7.6
91.05489	2.1
93.07047	8.2
95.08615	12.2
97.06552	5.9
97.10174	39.5
98.21478	3.2
101.06017	1.2
107.08627	5.7
109.10145	3.8
111.04414	2.4
111.08076	3.0
111.11718	12.9
121.10151	10.6
123.11735	1.2
125.09663	2.5
125.13258	3.2
133.10178	0.9
135.04407	2.9
135.11720	6.0
138.40129	1.0
139.11217	1.5
149.02180	2.5
149.13231	2.9
153.05460	1.7
153.12773	1.2
159.11691	0.9
161.09618	1.5
163.14935	1.3
177.16399	1.1
191.10646	1.0
209.11781	7.7
219.21106	2.4
237.11232	4.9
237.22115	1.5
264.69150	1.3
265.19208	1.1
290.19580	1.0
295.60217	1.1
302.25629	0.9
311.07443	9.8
311.25821	100.0
312.26260	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1471
Annotation	SB 218655
Peak:m/z	Relative Intensity
55.05497	5.5
55.90380	1.2
58.99566	1.8
60.77153	1.2
65.26513	1.2
69.03425	1.3
70.02949	4.0
71.09400	2.5
74.00662	1.7
79.05479	2.9
81.07035	2.5
83.04990	8.7
84.08148	2.0
86.99014	1.3
88.04002	32.2
91.05472	3.7
93.07049	3.1
95.08575	1.5
97.01117	1.7
103.05489	2.0
105.07030	21.1
107.08611	8.9
108.08118	2.5
111.02670	4.1
119.08587	12.4
120.05207	1.4
121.10143	4.6
122.09676	1.5
123.07977	1.4
125.04212	4.9
131.08559	2.9
133.06482	3.5
133.10123	6.0
135.08110	1.3
137.04222	25.2
138.09122	3.4
139.05774	17.5
140.05270	2.2
145.10118	6.7
147.04405	2.5
147.08015	2.0
147.11707	16.4
148.04715	6.6
151.05722	1.7
159.11719	9.9
161.09619	4.1
161.13252	10.3
163.05765	2.9
165.03705	1.5
165.07324	2.2
166.07005	2.2
166.08640	6.9
167.05214	2.8
171.11725	1.7
172.04282	2.7
179.08907	5.2
180.08430	1.9
181.10504	10.1
187.11197	7.2
188.12015	1.9
189.12755	23.1
191.14330	5.6
193.10551	4.9
205.14630	2.7
206.15369	1.4
209.06340	1.6
212.07402	10.2
221.09926	13.7
223.11516	30.3
226.08961	6.6
247.11513	2.2
249.37180	1.2
251.10907	3.0
252.10562	4.3
264.14304	2.4
293.12061	4.6
310.14725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.147
Annotation	SB 218655
Peak:m/z	Relative Intensity
51.35998	0.5
58.99589	10.3
70.54059	0.5
71.04694	0.8
78.84477	0.4
81.07020	0.5
86.99056	10.4
100.02206	57.2
105.00088	14.9
105.00803	0.6
105.07047	0.8
116.47791	0.4
118.03233	0.6
119.08566	0.9
144.01122	1.0
146.02708	79.7
191.33447	0.5
264.14212	1.1
310.14719	100.0
311.14923	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	5.2
56.96550	1.8
58.99578	2.8
69.07069	2.6
69.93580	3.2
69.93986	5.0
70.02941	4.2
79.05495	2.8
81.07040	2.9
83.04999	7.2
84.08131	2.2
88.03998	30.3
91.05507	7.9
93.07039	3.5
97.61765	1.5
98.21342	1.8
98.97558	2.5
105.07030	18.0
107.08610	9.0
108.08103	1.9
110.97447	1.2
111.02686	3.2
119.04949	1.9
119.08574	14.1
120.01176	1.8
121.10132	3.6
122.09633	1.6
124.07581	1.4
124.11196	1.5
125.04230	6.5
131.08566	4.9
133.06485	3.9
133.10118	4.6
134.88606	1.3
137.04210	25.7
138.09184	1.7
139.05769	17.0
140.05299	1.8
141.07367	1.6
144.09357	1.9
145.10124	6.1
146.02754	2.4
147.04420	4.2
147.11684	16.3
148.04729	3.3
149.04224	1.7
149.13361	1.7
151.05763	2.3
159.11685	8.6
161.09590	3.6
161.13286	12.2
163.05823	2.3
165.07314	2.0
166.06897	3.3
166.08644	2.0
167.05231	1.7
171.11728	1.5
174.10367	1.6
175.11064	1.5
179.08943	4.4
180.08463	1.9
181.10507	8.5
187.11235	6.3
188.11887	1.8
189.12764	24.2
191.14325	5.7
193.10471	5.1
203.08945	1.8
205.14644	3.7
206.15422	1.9
208.07883	2.4
209.06369	1.8
212.07465	10.0
221.09966	10.1
223.11523	31.0
226.08965	8.1
238.03310	1.6
252.10501	4.8
264.14050	1.6
292.19046	2.5
292.51648	1.7
293.12067	4.2
310.14728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1287
Annotation	Sporovexin C
Peak:m/z	Relative Intensity
51.11852	0.4
55.01852	0.7
55.05517	0.9
56.96560	1.0
62.32887	0.5
67.05482	1.1
69.03420	1.2
69.93668	2.8
70.06582	1.2
71.04984	2.1
81.03415	0.6
81.07047	0.6
82.06570	2.4
84.08151	4.6
85.02895	1.0
85.08483	1.5
91.05475	0.9
93.07021	0.9
94.06556	0.6
95.04969	0.9
96.08140	1.1
98.09720	0.6
98.20827	0.8
98.97595	2.0
99.04477	0.6
100.07617	0.9
105.07027	1.0
107.68719	0.5
108.08102	0.7
110.09673	0.9
110.97544	0.8
113.06020	1.0
119.04911	1.1
120.08105	0.6
122.09673	1.3
124.07603	15.6
124.11223	3.8
131.07056	2.9
131.08597	0.7
134.09605	1.2
136.07536	1.9
136.11194	1.0
139.03903	0.6
147.04401	1.0
148.07498	0.5
148.11189	0.7
149.02133	0.8
149.05942	0.8
150.09128	1.8
152.07079	0.7
152.10735	0.5
154.08650	0.9
162.09151	2.1
162.12776	0.8
163.03851	1.1
163.09924	1.8
168.10269	0.8
172.11237	0.8
174.09171	0.7
174.12753	5.3
176.10719	1.7
176.14276	0.5
178.08649	2.0
180.10184	2.0
181.11014	0.7
188.10666	1.3
190.12303	4.9
192.13835	0.8
194.08121	0.5
199.02200	0.9
200.10765	2.8
202.12318	5.8
202.83502	0.6
204.10120	0.7
204.13863	0.9
216.14163	0.6
218.11806	9.0
220.09717	0.6
220.13313	3.4
228.10182	4.0
230.11703	2.1
236.12837	2.7
237.02936	0.6
238.14661	0.7
244.17365	0.9
246.11275	13.3
248.12843	2.8
256.09793	1.0
264.12292	10.8
266.13870	3.7
274.10727	4.3
282.13388	1.4
292.11807	26.9
293.02982	0.5
310.12848	100.0
311.07373	2.0
311.13031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03952	5.1
55.01867	3.7
55.05509	18.2
56.96566	6.5
57.03436	5.5
57.07073	6.1
63.96643	3.9
67.05505	31.9
69.07073	22.5
71.50850	5.3
77.03956	3.8
79.05495	28.4
81.03391	5.0
81.07060	50.3
83.08627	9.9
87.16377	3.6
91.05481	38.3
93.07054	64.9
95.04974	47.2
95.08609	53.5
97.06528	14.8
100.02468	7.7
105.07037	80.2
107.08589	39.9
109.06511	11.1
109.10165	33.0
115.05450	6.0
117.07053	18.8
119.08583	73.5
121.06506	13.8
121.10154	94.1
123.08080	10.7
123.11727	9.3
128.06227	8.3
129.07030	12.5
130.07774	4.6
131.08582	36.1
133.10133	47.1
135.08119	6.7
135.11702	13.7
142.07788	13.6
143.08569	34.9
144.09348	6.8
145.10133	49.7
147.04442	12.3
147.08034	3.9
147.11676	15.3
149.09645	8.6
154.07811	5.2
155.08574	13.0
156.09389	7.9
157.10121	36.7
159.08116	4.1
159.11681	34.3
161.09660	6.8
161.13210	8.3
167.08490	5.5
167.74530	3.9
168.09346	5.0
169.10165	24.8
170.10939	6.1
171.11696	28.3
172.12480	4.6
173.09544	5.4
173.13324	15.3
175.14853	11.0
179.08495	5.5
181.10165	11.6
182.10890	7.6
183.11732	22.5
184.12450	4.9
185.13326	13.4
187.11261	10.8
187.14850	19.9
193.10173	9.2
194.11028	5.8
195.11708	12.9
196.12520	6.2
197.13283	20.9
199.14816	8.4
201.16484	5.1
206.10857	4.6
207.11751	8.4
209.13287	15.9
211.14810	16.2
213.16370	4.3
220.12376	4.5
221.13318	4.6
223.14917	5.8
225.16344	8.5
235.14825	5.8
239.14140	3.8
239.18001	7.2
249.16385	5.3
251.17950	6.6
253.15875	9.0
253.19475	5.6
265.19266	6.0
281.22556	10.2
291.21054	16.6
309.18503	6.8
309.22101	100.0
309.25430	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2788
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03939	2.2
55.01878	1.0
55.05513	28.6
56.96571	1.4
57.03416	1.3
57.07079	6.9
59.05000	3.3
59.95568	0.6
65.03930	1.0
67.05505	15.3
69.03428	5.6
69.07070	82.2
70.09276	3.4
71.05001	2.1
71.08623	3.0
79.05493	10.5
79.63947	0.6
81.03436	5.8
81.07059	66.7
83.04974	1.5
83.08626	18.9
85.02901	2.7
85.06541	5.1
91.05476	13.2
93.07050	15.4
95.04980	1.1
95.08607	53.6
97.02872	0.9
97.06538	5.6
97.10172	5.2
98.97562	1.5
99.08092	8.2
102.68681	0.8
105.07026	7.1
107.05063	0.7
107.08598	12.8
109.02866	3.0
109.06531	1.4
109.09439	1.4
109.10156	21.3
109.91113	0.6
111.08076	2.9
111.11722	19.2
117.07027	0.8
119.04951	23.4
119.08578	4.8
121.10146	11.7
123.08070	1.6
123.11731	7.3
125.09653	1.7
127.03915	1.8
127.11224	0.8
129.07021	0.9
129.12740	1.2
133.10112	3.4
135.11717	6.9
137.09613	1.6
137.13258	26.4
139.11172	13.3
145.10112	0.9
147.04413	100.0
147.11696	2.9
148.04698	1.7
149.13260	9.6
151.11324	0.8
151.14809	1.7
153.01778	1.0
153.12729	1.3
155.03870	0.7
157.06525	0.9
157.12265	1.6
161.13289	2.2
163.11185	0.9
163.14813	6.9
165.05508	2.4
167.14297	1.7
171.11710	1.0
175.14835	1.0
177.16396	2.1
189.16400	1.7
191.17990	1.7
202.77246	0.7
203.18004	1.5
209.19026	1.9
213.18538	2.1
217.19514	0.7
221.19040	1.7
227.20003	4.5
230.49657	0.7
232.26598	0.7
234.06728	1.0
239.20110	2.1
249.09052	1.9
251.07072	1.1
273.25674	1.2
277.08511	3.3
281.11667	1.8
285.10208	0.9
291.08679	3.9
291.19516	1.4
291.26813	5.7
294.09018	1.2
309.11224	5.0
309.22229	1.3
309.27902	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19189	1.8
56.05035	2.8
56.19369	1.9
56.24107	1.8
64.45382	1.8
67.05488	2.9
67.28063	2.5
69.71835	13.5
70.06576	4.3
81.03413	9.0
82.06586	12.0
84.08147	100.0
85.50247	1.7
96.04507	8.0
98.09727	3.2
98.20740	4.0
110.06063	6.4
111.04462	2.4
112.89618	2.1
128.07079	34.7
130.08647	22.5
142.08656	2.4
144.06508	3.1
147.11298	4.9
159.11324	4.6
169.32886	1.8
180.10199	2.3
225.12354	37.3
255.13457	3.9
273.14587	16.5
274.49741	2.2
291.15503	12.0
309.05826	21.6
309.09320	2.2
309.10715	2.6
309.16528	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	309.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
60.28155	8.3
69.07060	66.5
70.44760	7.9
70.76028	7.9
71.17971	16.9
73.91274	8.6
81.03418	17.7
85.02911	8.0
91.05476	16.3
97.05408	7.0
111.11721	20.2
119.04948	25.1
129.12750	22.0
146.12485	8.0
147.04410	100.0
148.04568	11.5
187.12358	7.4
229.85866	9.7
291.08609	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	309.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.8
55.01862	1.5
55.05500	2.3
57.03445	1.0
58.10178	1.0
67.05495	3.4
69.03432	2.0
69.07061	5.7
70.72709	2.3
77.03059	0.9
77.03563	1.0
78.45690	1.0
79.05489	9.3
81.03410	6.4
81.07056	7.2
83.08596	1.2
85.02898	2.7
85.06506	1.1
86.78719	1.0
91.05482	9.3
93.07027	3.0
95.04971	2.4
95.08604	6.3
97.06483	1.2
98.97590	1.5
103.05411	1.4
105.03403	1.6
105.07034	9.0
107.04993	1.2
107.08571	3.0
109.02877	3.0
109.06538	1.3
109.10149	1.8
115.05461	2.1
119.04954	18.6
119.08584	1.5
121.10146	1.6
123.11716	2.4
128.61719	1.0
129.07028	1.7
131.04930	1.2
131.08505	1.4
133.06485	5.8
133.10089	1.6
135.04419	100.0
137.06010	4.8
137.09642	1.6
137.13264	2.0
144.05717	1.6
147.04410	67.2
147.11603	1.1
155.04932	5.7
159.08067	6.5
161.05977	10.8
165.05501	3.2
165.07002	2.5
172.05219	2.5
176.06316	1.5
177.07147	1.3
178.07732	2.6
179.08516	1.2
187.07552	16.4
189.07002	7.6
190.07758	23.2
191.08557	69.3
193.06400	1.2
201.07071	2.0
202.07797	2.8
203.08522	2.3
205.06491	3.6
206.07333	2.1
207.08072	1.2
208.08910	1.9
218.07222	8.3
219.08051	80.9
220.08856	2.5
221.05833	1.7
221.09584	2.2
229.07578	2.5
231.08067	1.4
235.07492	2.5
236.08272	3.0
247.05206	2.0
247.07565	25.9
248.08244	2.8
249.09116	72.3
251.06979	1.3
251.10667	11.8
259.07550	3.8
261.09201	1.4
262.06274	2.3
264.07776	3.7
277.08597	51.3
278.09320	4.0
279.06656	3.9
279.10159	15.1
281.12177	2.1
291.08658	4.0
293.08066	1.5
294.08911	7.1
295.53711	1.0
309.11209	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	309.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01875	1.3
55.05503	2.9
56.96563	2.8
57.03439	11.3
59.79647	1.0
61.02938	1.2
62.99866	1.0
67.05496	3.1
69.03425	10.5
69.07074	1.7
69.80149	5.2
70.06594	31.6
71.01363	2.4
71.04992	28.4
73.02906	6.2
75.04482	12.6
79.05486	1.6
80.46048	1.1
81.03416	6.1
81.07054	1.6
83.04986	5.0
85.02904	100.0
85.06529	1.2
86.06074	1.3
87.04475	3.1
91.05492	11.1
93.07047	2.5
97.02915	5.8
98.97595	6.2
99.04487	2.4
105.07023	1.2
107.08617	1.3
109.02883	2.9
109.10150	1.4
110.97549	2.8
111.04456	3.3
112.07610	2.8
113.27006	1.0
116.98589	2.0
119.04956	14.9
127.03921	4.6
128.98549	3.0
129.05481	23.7
130.06586	1.2
137.09622	2.1
138.09166	7.5
146.99722	1.1
147.04408	57.6
147.06386	9.5
149.09584	1.3
157.47044	1.1
158.99733	1.0
161.01291	1.6
161.09604	1.8
163.11177	1.5
164.10674	2.2
165.05484	2.4
165.09126	1.7
180.10172	9.0
181.08549	1.3
189.00623	1.3
206.11801	1.5
207.03156	2.2
217.07631	1.2
219.01886	2.9
219.09236	4.9
221.00952	1.3
223.14406	35.9
234.06798	1.3
237.02753	3.3
245.07152	2.9
249.00534	1.4
263.08105	6.4
266.13895	2.5
277.08591	1.3
291.08484	3.7
291.13373	2.5
292.15668	1.2
294.08743	1.4
309.08603	9.4
309.14148	2.1
309.18042	9.1
327.07532	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	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.7
55.01872	0.3
55.05508	0.2
56.96574	0.3
57.03458	0.7
57.03688	0.2
61.02922	0.4
65.03936	0.8
67.05507	0.5
69.03429	3.8
69.07075	0.4
69.51435	1.1
71.04991	0.4
73.02906	0.3
79.05497	0.3
81.03416	8.9
81.07049	0.6
85.02907	3.6
91.05482	10.6
93.07064	0.3
94.92401	0.1
95.04979	0.3
95.08602	0.5
97.02884	1.0
98.97618	0.2
99.04469	0.9
101.02404	0.2
105.07035	0.3
107.04966	0.2
107.08601	0.2
109.02875	3.2
109.10178	0.4
111.08086	0.1
117.06997	0.2
119.04945	26.0
121.10136	0.1
123.11721	0.2
127.03926	1.4
135.04448	0.2
137.09631	0.3
147.04408	100.0
148.04741	0.6
150.09648	0.1
157.06503	0.2
160.89085	0.2
161.06000	0.2
163.03958	0.2
165.05475	3.4
165.06879	0.3
174.17120	0.1
196.00615	0.1
220.96391	0.1
245.15434	0.1
277.08566	0.3
281.11697	0.2
291.08600	7.2
309.09216	0.8
309.16925	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
54.17236	0.2
57.03429	0.6
59.84163	0.2
61.02907	0.3
65.03947	0.5
69.03064	0.4
69.03429	6.4
69.51288	0.5
69.51691	1.3
71.01333	0.2
71.04987	0.3
76.91196	0.2
79.13027	0.2
80.74870	0.2
81.03419	8.1
81.03905	0.4
81.07052	0.2
85.02908	2.5
85.77484	0.2
87.06589	0.2
91.05482	9.6
97.02873	0.8
99.04460	0.7
109.02888	3.7
119.04948	24.4
127.03927	3.1
147.04411	100.0
148.04747	0.4
157.06662	0.2
165.05453	2.0
219.72357	0.2
291.08649	7.9
309.09802	0.7
311.80759	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.1
52.19207	0.2
53.03954	0.8
54.52782	0.2
57.03440	0.5
61.02931	0.6
62.26075	0.1
65.03951	0.6
69.03430	4.3
69.07070	0.3
69.46273	1.3
71.04984	0.4
73.02911	0.3
79.05483	0.2
81.03419	7.8
81.07052	0.6
83.01334	0.2
83.23152	0.2
85.02914	2.8
85.06544	0.2
91.05483	8.5
93.07053	0.2
95.04996	0.2
95.08607	0.4
97.02882	0.9
98.21506	0.3
99.04469	0.7
105.07034	0.4
107.04939	0.3
107.08548	0.2
109.02887	2.6
109.10171	0.4
119.04947	24.3
123.11677	0.2
127.03922	1.9
131.04898	0.3
137.09686	0.2
147.04413	100.0
148.04713	0.4
165.05484	2.6
249.07477	0.2
277.08566	0.3
291.08630	6.6
309.09518	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01863	0.4
57.03426	0.9
59.05004	0.5
61.02928	0.3
65.03938	0.9
67.05487	0.5
69.03432	4.9
69.07085	0.3
69.99487	1.3
71.04980	0.7
73.02904	0.5
77.95296	0.2
79.05505	0.3
81.03421	15.2
81.07066	0.6
85.02907	4.7
91.05482	10.2
97.02895	1.3
99.04444	1.6
102.29381	0.2
109.02886	5.7
109.10158	0.7
119.04951	26.1
127.03920	1.8
128.24666	0.2
135.08125	0.3
137.09637	0.9
147.04414	100.0
148.04747	0.3
149.02385	0.4
151.66191	0.3
165.05476	4.3
165.09074	0.4
200.56815	0.3
229.74530	0.3
249.07480	0.5
291.08636	13.1
292.09122	0.4
309.09818	1.3
309.13281	0.8
309.16852	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.4
57.03421	1.2
58.61093	0.3
64.88036	0.3
65.03928	0.7
69.03431	3.4
69.23365	2.9
71.04993	0.4
73.02908	0.3
81.03426	12.7
81.07068	0.3
85.02913	4.6
86.65832	0.3
91.05483	10.9
95.08600	0.4
97.02899	1.3
99.04462	1.0
101.67645	0.3
109.02213	0.4
109.02892	4.9
119.04952	26.8
119.38998	0.3
124.60307	0.2
127.03918	1.1
147.04417	100.0
148.04741	0.6
165.05484	3.6
183.80544	0.3
191.04422	0.3
273.90851	0.3
285.47186	0.3
291.08636	11.1
294.22141	0.2
299.55151	0.3
309.09720	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	1.3
56.60780	0.8
65.64977	0.9
71.10214	2.0
81.03400	2.4
81.07031	1.2
82.06575	3.2
84.08134	1.5
88.88483	0.7
91.05462	3.2
105.07020	8.0
107.82305	1.0
109.02888	1.3
117.07019	1.2
118.91956	1.0
119.04948	7.9
119.08582	1.0
131.08546	3.4
144.14441	1.1
146.09636	2.2
147.04404	15.4
148.84537	0.9
157.10013	0.9
159.08061	1.3
160.07559	3.4
161.09647	1.9
162.09105	1.9
163.03975	1.6
164.04253	1.0
164.10709	2.4
174.09131	2.5
174.12796	10.1
176.10706	2.0
176.14363	2.6
186.12764	6.6
187.09914	1.1
188.10664	3.0
191.09343	2.1
201.07909	4.6
202.08771	5.4
202.12273	75.8
203.12683	1.2
204.13934	5.7
204.15529	1.5
215.09492	1.3
220.13518	1.1
230.11765	86.1
234.11411	1.1
248.12825	100.0
249.13226	1.7
258.11270	13.2
262.14389	11.5
276.12317	69.5
290.10724	1.5
290.13895	18.8
291.08759	1.5
308.08530	1.9
308.15054	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	309.097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
55.05508	0.5
57.03434	0.5
59.04980	0.3
63.04488	0.3
65.03913	0.7
67.05502	0.9
68.84747	0.3
69.03432	3.8
69.07076	0.4
69.53398	2.2
71.04985	0.6
79.05493	0.3
80.68355	0.3
81.03418	6.7
81.07044	1.3
85.02898	3.2
87.75389	0.3
91.05479	10.1
91.06054	0.5
93.07050	0.4
93.50806	0.3
95.08596	0.7
96.82069	0.3
97.02902	1.4
97.06590	0.3
97.10159	1.0
98.97578	0.5
98.98459	1.8
99.04461	0.7
105.07025	0.6
107.08610	0.6
109.02868	2.9
109.10139	1.2
119.04941	25.6
119.08564	0.5
121.03049	0.3
121.10159	0.3
123.11765	0.3
127.03918	1.5
135.08061	0.3
137.09636	0.9
143.10657	0.4
147.04407	100.0
148.04742	0.8
165.05475	3.4
165.09073	0.5
236.21928	0.3
248.37463	0.3
291.08652	6.0
309.09845	1.0
309.13403	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38014	0.4
53.03937	0.4
54.21729	0.4
55.05505	0.5
57.22368	0.4
58.42246	0.4
58.99584	4.7
61.95711	0.4
67.05496	0.6
69.57561	0.4
69.73322	1.1
69.73734	1.8
70.06599	0.6
76.02211	1.4
79.05480	1.2
81.03419	0.5
82.06580	0.7
83.04967	1.7
84.08145	2.6
85.02885	0.7
86.99068	3.1
91.05466	1.3
95.04965	1.3
100.02206	23.3
105.00098	5.8
105.07022	0.8
107.05029	0.6
111.02665	3.7
114.02242	0.5
119.04951	0.8
119.08523	0.7
121.06512	1.3
126.03744	10.3
126.12781	2.2
136.07574	0.6
137.04234	2.9
139.02136	18.6
141.47617	0.5
144.01152	0.6
144.13872	0.9
144.82782	0.5
146.02713	24.9
147.02629	0.7
147.04378	3.0
150.01355	2.6
150.09148	0.6
163.11214	3.0
164.07043	1.0
165.03709	42.7
170.02710	2.2
173.08334	0.6
175.03348	0.5
176.10724	0.5
178.06837	0.7
193.03256	0.8
206.06364	9.2
211.04266	1.6
252.06844	4.1
262.12842	2.5
290.17468	0.6
308.13162	100.0
309.13586	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05499	2.3
56.05023	1.4
56.96585	0.8
58.06589	1.2
60.27995	0.5
62.29705	0.6
67.05500	3.9
68.05027	0.9
68.99783	1.0
69.03426	3.0
69.07065	2.2
69.53479	0.6
70.06593	1.7
70.58698	1.1
70.59058	1.4
71.04959	0.9
72.08144	1.8
74.06057	0.6
76.02219	1.9
79.05486	4.9
80.05003	0.7
81.03401	0.9
81.07062	8.8
82.06580	7.2
83.04954	1.0
83.08606	1.1
84.04503	2.0
84.08148	4.1
85.02904	2.1
85.06538	0.9
91.05470	1.9
93.03359	0.7
93.07046	2.9
94.06584	3.9
94.77695	0.7
95.04953	2.2
95.08622	6.8
96.08123	1.6
97.02866	0.7
97.04025	1.2
98.09696	43.8
98.20776	0.8
98.98516	0.7
99.04447	0.9
105.03384	1.0
105.07039	2.1
107.04948	1.9
107.08596	4.7
108.08135	6.6
109.02882	1.3
109.06494	0.9
109.08899	0.8
109.10175	1.1
110.09692	15.0
111.04401	1.2
119.04935	1.9
120.08128	0.8
121.02866	1.3
121.10130	1.4
122.09669	1.7
123.02639	0.7
124.11234	15.5
125.09575	1.3
126.09960	1.0
127.03928	1.6
127.07530	0.8
133.02855	1.4
133.10136	1.1
134.09618	0.8
135.00763	1.6
135.04414	2.2
136.11221	2.9
137.02347	0.8
139.03906	74.2
144.10178	0.9
146.06018	8.5
147.04405	6.3
148.11134	1.1
149.02376	3.4
150.12794	11.8
151.03918	3.2
151.12209	1.3
153.01868	3.7
153.05437	1.2
158.11874	1.0
159.04437	1.4
161.05977	0.7
162.12799	1.5
162.97684	0.6
163.00186	0.9
163.03931	8.4
164.14352	0.8
165.01898	0.7
168.06673	1.0
169.04938	1.3
174.05400	0.7
177.01866	5.4
177.05458	2.0
179.03418	2.0
179.04898	0.7
181.01375	1.1
181.04976	3.9
184.13341	2.3
189.01804	0.9
191.15439	1.5
193.01292	1.1
195.02968	1.0
195.06502	1.3
204.17488	2.1
205.01364	3.1
205.17000	15.7
206.02051	0.8
207.02901	1.7
210.14899	41.4
215.13939	1.0
219.18538	0.9
223.02377	2.0
233.00761	2.8
233.04373	0.7
237.00294	2.3
243.11192	0.7
243.17082	1.1
247.21709	29.9
251.01840	4.2
261.00354	1.6
264.19763	0.6
279.01385	6.9
289.06796	0.7
289.11728	2.5
297.20242	0.6
307.00848	45.3
307.12747	5.5
307.23792	100.0
308.01282	1.6
308.24008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06688	0.5
56.05045	2.8
58.06601	4.3
64.61197	0.5
65.04836	0.4
66.37770	0.4
70.06592	0.8
71.09789	1.1
84.04507	22.2
84.08144	100.0
84.91708	0.4
85.08509	0.5
86.06066	6.6
86.09721	6.7
88.03974	0.7
92.28711	0.5
96.04512	0.7
98.09682	0.8
127.21803	0.4
130.08643	1.4
132.02925	0.5
139.03871	2.6
141.13875	6.6
143.35535	0.5
150.41400	0.4
165.55594	0.5
167.82582	0.4
168.19379	0.4
169.13394	8.7
177.18198	0.5
198.11282	1.6
215.13914	36.1
243.17049	53.4
244.17451	0.6
261.16312	0.7
262.11099	4.1
269.57376	0.5
307.16885	15.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1751
Annotation	Creoside II
Peak:m/z	Relative Intensity
54.24960	1.9
57.83283	1.9
60.12756	1.9
61.21376	1.8
69.45924	14.0
71.04999	41.9
78.01562	2.0
81.07043	2.5
85.02911	5.7
105.07050	2.8
120.08106	3.1
127.11200	100.0
145.12254	21.8
191.03499	2.7
210.14975	3.1
219.02908	3.2
229.18196	2.0
247.07738	2.1
280.19495	2.1
298.49481	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	21.2
55.01876	53.0
55.05519	22.1
57.03440	4.2
59.04998	4.7
65.03930	3.1
67.05508	64.8
69.07072	49.3
71.62074	6.2
73.92647	3.1
79.05496	55.0
81.03428	31.6
81.07059	89.1
83.04984	11.6
83.08630	11.5
85.06541	11.4
91.05487	55.8
93.07043	54.3
95.01321	8.2
95.04956	22.2
95.08611	43.7
97.06540	100.0
97.10220	7.9
105.03419	3.8
105.07035	72.2
105.07664	2.5
107.04943	35.9
107.08609	27.8
109.06526	15.3
109.10150	10.7
111.08083	5.4
113.09654	3.2
117.07019	20.2
119.08593	36.1
121.06491	8.4
121.10151	10.6
123.04440	7.1
123.08080	12.2
123.11713	5.5
125.09711	6.2
129.07016	6.0
130.80185	3.6
131.08569	21.8
133.06667	4.1
133.10141	42.1
135.08049	8.4
135.11732	17.0
137.06050	6.5
137.09596	5.8
138.06361	5.0
139.07582	3.9
143.08557	5.6
145.06485	6.7
145.10133	20.4
147.11690	15.9
147.60121	3.2
149.09631	14.8
149.13281	10.0
151.11148	4.6
159.11697	23.2
161.13216	9.1
163.11206	8.5
165.09140	5.0
165.12772	4.0
169.10193	5.5
171.11731	5.2
177.12764	19.7
179.14249	20.3
185.13300	4.1
187.11200	7.7
205.12257	3.5
219.17462	8.6
229.19463	4.5
233.15398	5.7
247.20564	4.8
256.73770	3.8
257.19028	9.4
275.20062	87.9
307.22717	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	307.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.5
57.85660	0.5
61.77206	0.4
69.47319	3.0
75.46473	0.4
79.05485	0.5
81.84499	0.4
116.98498	0.4
123.11603	0.5
131.74367	0.5
135.04424	8.3
137.05124	0.6
137.05994	5.9
138.06328	3.5
149.02353	1.3
165.06985	1.1
178.07770	9.0
179.08519	0.7
179.66444	0.4
181.06508	0.5
185.05954	2.6
189.06985	6.8
190.07800	11.6
191.08527	4.2
193.10110	0.8
195.08018	0.5
203.08537	0.6
205.06526	3.5
206.07281	18.0
207.07903	0.5
209.09673	1.1
217.06508	3.2
218.07266	7.8
219.08058	2.3
220.08824	0.7
221.09628	25.5
222.06779	0.6
222.10042	0.6
233.06091	0.5
234.06755	13.1
235.07556	1.7
236.08350	1.8
245.05923	0.5
246.06850	0.7
247.07599	3.8
248.08331	11.0
249.09114	25.4
251.06929	0.5
263.07056	2.3
264.07840	7.5
275.07101	1.1
276.07910	2.8
277.08554	2.3
279.10178	100.0
280.10541	1.2
289.08417	0.6
291.06604	0.5
292.07315	2.8
307.09665	64.7
308.09955	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0813
Annotation	(-)-Gallocatechin
Peak:m/z	Relative Intensity
53.00299	0.6
55.01865	0.8
56.31168	0.2
57.03440	0.5
57.39738	0.2
60.92954	0.2
65.03936	0.9
67.05500	1.1
67.39661	0.3
68.99783	1.1
69.03431	0.4
70.00548	1.3
73.02892	0.4
76.02228	0.3
79.05492	0.3
80.51941	0.2
81.03401	0.3
83.04951	0.5
85.02875	0.5
89.34451	0.3
93.03401	0.9
95.04958	1.3
95.33547	0.3
97.02869	0.6
98.20663	0.3
98.97575	0.4
103.05421	0.3
107.04971	1.6
111.04414	1.3
117.03364	0.5
117.07477	0.3
121.02866	1.1
121.06499	0.2
123.04474	1.3
127.03935	1.5
131.04932	1.1
133.02844	1.8
135.04420	2.7
139.03906	100.0
140.04259	0.8
145.02864	0.7
145.82149	0.3
149.05968	0.8
150.90398	0.3
151.03928	3.5
153.05457	1.1
159.04414	2.4
163.03915	9.4
165.05463	0.3
167.07043	0.5
169.04985	1.9
177.05510	2.5
181.04973	5.0
182.99712	0.9
191.09103	0.3
195.06538	3.0
201.00766	0.6
205.04955	1.3
217.40443	0.3
223.06081	1.5
247.06081	0.8
289.07098	1.0
301.19995	0.3
307.08051	0.6
307.13141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	0.5
57.07067	0.5
67.05508	1.0
69.07050	1.7
69.41094	2.8
69.41503	0.6
79.05466	1.2
81.07063	2.7
83.08631	1.0
91.05479	0.8
92.06878	0.4
93.07023	1.6
95.04964	0.5
95.08604	2.3
97.10167	0.6
103.05431	0.4
105.07005	0.6
107.08572	1.4
109.10158	1.2
119.08590	0.9
121.10127	1.5
123.11728	0.8
129.06970	0.6
133.10170	0.7
135.04417	9.1
135.08000	0.6
135.11708	0.9
149.02370	1.2
149.13237	1.0
165.07014	1.2
176.06277	0.7
177.07079	0.4
178.07765	9.0
179.14314	0.5
181.12355	0.5
185.05992	2.4
189.06996	8.9
190.07774	10.7
191.08543	4.4
193.06494	0.8
193.10071	0.7
195.08104	0.6
202.07677	0.7
203.08536	0.5
205.06483	4.0
206.07269	17.3
207.08044	0.5
209.09557	0.5
217.06470	2.8
218.07275	7.6
219.08052	3.7
220.08696	0.6
221.06007	1.3
221.09622	24.7
233.05930	0.9
234.06749	10.3
235.07483	1.6
236.08304	1.8
237.08960	0.6
246.06746	1.3
247.07578	3.4
248.08331	11.2
249.05656	0.8
249.09113	26.0
251.07002	0.7
261.25922	0.7
263.07104	2.1
264.07834	7.3
264.10541	0.6
275.07047	1.4
276.07819	3.7
277.08493	2.1
279.10159	100.0
280.10510	1.5
289.08536	0.6
289.25198	1.1
291.06537	0.9
292.07370	3.5
307.09644	65.1
307.26486	0.9
308.09912	1.3
321.41452	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84209	0.1
51.02375	0.1
51.77570	0.1
52.07365	0.1
55.05494	0.2
58.02954	0.4
60.95942	0.1
65.03940	0.1
66.04707	0.3
67.05490	0.5
69.07069	1.1
69.65141	0.1
70.89700	0.4
78.91532	0.1
79.05488	0.9
81.07045	0.8
83.08627	0.2
83.33026	0.1
86.06051	0.1
91.05485	0.8
93.07035	0.4
94.04188	2.3
95.08621	0.6
97.06538	0.3
100.07600	0.3
103.56149	0.1
105.07048	0.3
107.04916	0.3
107.08597	0.5
109.06543	0.3
109.10130	0.7
111.11768	0.1
114.09180	0.5
122.03654	7.1
126.09128	0.4
133.10135	0.9
135.11685	1.3
137.05980	100.0
138.06296	0.4
138.12779	0.1
151.11188	0.2
153.12741	1.2
165.12732	0.1
170.15422	2.4
178.56598	0.1
182.15422	2.7
205.32088	0.1
278.73340	0.1
286.57379	0.1
306.20578	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19494	5.5
67.66042	5.2
69.91418	21.8
77.78355	4.7
94.09099	6.3
98.20672	5.9
109.37916	4.5
144.13884	5.5
145.14169	9.9
218.75658	5.6
307.07761	100.0
307.19431	19.1
326.10910	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	306.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69941	0.8
53.03933	0.6
53.72966	0.5
55.01871	0.6
55.05500	1.3
56.05030	0.8
57.03452	2.4
57.39375	0.6
59.05013	0.6
61.02935	2.8
67.05503	2.2
69.03431	11.1
70.04897	2.1
70.05257	0.8
70.06577	0.7
71.04996	1.5
73.02923	2.0
74.10092	0.6
81.03443	2.9
82.06566	0.9
83.04993	0.7
84.08147	26.9
85.02910	12.4
87.04477	2.2
91.03949	1.2
97.02899	3.5
98.09692	3.1
99.04472	1.4
109.02894	1.1
124.11251	3.1
126.12801	19.5
127.03917	2.3
128.10732	1.2
128.24217	0.6
144.13841	100.0
145.04967	1.2
145.14220	0.6
186.14944	1.0
230.13831	0.6
248.14894	2.9
306.19119	72.6
307.19641	1.0
325.04434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79611	0.4
53.03942	0.6
55.99359	0.4
56.05030	1.1
57.03434	2.0
61.02932	2.2
67.05505	2.2
69.03426	6.4
69.91145	1.5
70.06584	0.7
71.04989	0.9
72.61652	0.4
73.02908	1.2
76.60149	0.4
81.03412	1.7
84.08145	26.0
85.02907	10.4
87.04450	1.7
90.36933	0.4
97.02897	5.3
98.09690	0.9
99.04436	0.8
109.02878	1.2
109.10131	0.9
121.05511	0.4
126.09211	0.5
126.12798	20.1
127.03927	2.0
128.10754	1.2
144.13840	100.0
145.04910	0.9
145.14165	0.5
186.14961	0.7
212.12833	0.8
248.15041	3.3
278.42593	0.5
306.19116	66.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.4
55.01880	0.8
55.05512	1.0
56.05031	1.2
57.03444	0.6
60.04543	0.6
61.02922	0.8
67.05508	0.8
69.03433	9.1
69.07059	0.5
70.06596	1.2
71.04993	0.6
71.60974	0.4
72.08150	0.4
73.02895	0.6
74.06076	1.5
81.03409	1.3
81.07053	2.4
83.04996	0.7
83.08620	1.2
84.04507	58.7
84.08149	1.6
85.02912	6.4
85.06510	0.4
88.49607	0.3
91.05477	0.4
91.41600	0.4
97.02892	1.8
98.06062	1.9
98.09689	1.4
98.97589	0.7
99.04433	0.6
100.44263	0.4
102.05549	0.4
108.08154	0.5
109.02935	1.0
109.06551	0.8
116.07127	0.4
123.04423	0.4
124.11224	0.6
124.72788	0.4
125.09637	10.4
126.05500	1.6
126.09164	13.8
126.09986	0.5
126.12812	0.5
127.03931	1.3
131.04959	0.4
137.05981	1.1
139.03902	1.1
142.12257	3.6
142.22748	0.4
144.10202	100.0
144.13814	1.7
145.04976	0.7
145.10518	0.5
147.04422	0.5
147.08051	4.0
154.08632	0.9
165.97604	0.4
168.10175	0.8
186.11215	0.4
205.73448	0.4
210.11256	0.4
210.14697	0.5
233.13533	0.4
243.11322	0.6
289.11896	0.6
306.02185	3.2
306.15515	1.8
306.18939	0.7
307.12698	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01872	1.1
55.05513	1.2
56.05032	1.0
56.75011	0.4
56.96557	1.9
57.03439	2.4
57.71819	0.5
57.77324	0.5
58.06567	0.5
58.99587	0.6
59.16460	0.4
61.02927	3.6
61.63728	0.5
61.77445	0.4
65.03948	2.5
68.05029	2.5
69.03432	8.7
70.06599	1.0
70.26586	1.5
71.04991	0.7
72.33034	0.5
73.02908	1.4
74.06079	2.2
81.03421	5.0
81.07069	1.6
83.08625	1.0
84.04507	29.7
84.08144	5.1
85.01131	2.1
85.02909	19.2
86.09696	0.5
87.04465	1.8
91.03943	1.1
91.05479	0.5
97.02908	3.9
98.00642	2.7
98.06081	2.2
98.09692	1.3
98.97584	3.1
99.02688	4.3
99.04456	1.9
102.05532	0.8
103.03906	0.6
103.43455	0.5
107.04915	0.5
109.02914	2.3
113.02231	0.6
113.02969	2.9
115.03960	0.4
116.01657	0.4
116.07084	0.7
116.98632	1.8
118.85940	0.4
123.04385	0.8
124.07582	0.5
125.09629	2.7
126.03747	28.5
126.05536	1.6
126.09152	8.9
126.12848	0.6
127.03729	2.4
127.04584	1.9
128.98605	1.0
133.02869	0.6
134.99593	0.6
137.05974	1.4
139.03915	5.8
140.04189	0.5
141.94064	0.5
144.04788	100.0
144.10201	53.9
144.13844	2.1
145.04999	2.6
146.99664	0.7
147.08017	1.3
150.05496	0.5
154.08615	0.7
163.03911	0.7
168.10228	0.8
169.04588	0.6
177.00610	0.9
181.04889	0.7
186.05893	3.2
210.11275	0.9
215.13921	1.6
237.03111	0.5
243.17046	2.0
306.02255	2.5
306.10004	10.4
306.15765	2.0
306.19534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90817	0.7
52.31904	0.5
53.03940	1.4
53.97511	0.6
55.01880	0.8
55.05511	1.4
56.96562	1.5
57.03439	0.7
57.07040	0.7
58.66838	0.7
67.05511	1.5
69.03421	1.6
69.07065	1.5
70.06598	0.9
72.08141	2.3
77.03944	1.2
79.05489	1.8
81.03415	0.8
81.07054	2.6
84.08119	0.9
85.02872	1.3
86.09684	1.6
91.05482	5.5
93.05803	0.9
93.07035	3.9
94.06574	1.2
95.04955	1.8
95.08619	2.1
96.08147	0.7
97.02892	1.9
97.06521	0.9
98.09680	0.7
98.21493	1.8
98.97574	2.8
103.05476	9.1
105.07008	1.3
106.06525	0.9
107.04967	1.1
107.08572	1.3
108.08111	2.0
109.10117	0.8
112.37672	0.6
116.98618	0.6
117.07017	0.6
119.04977	0.9
119.08585	0.8
121.10226	1.2
122.06011	3.2
123.08035	0.7
124.07588	9.3
126.05511	1.2
131.04935	44.2
133.06491	0.8
136.07585	100.0
137.05963	3.4
138.05495	1.0
138.09189	1.0
140.07108	0.7
143.08598	0.7
145.10068	1.1
149.09621	2.2
150.05518	0.7
152.07085	17.8
153.01854	1.0
158.11786	2.1
164.07077	73.4
165.07404	0.8
167.10692	0.9
170.08205	3.2
174.08144	2.8
175.14516	0.7
182.06610	0.9
182.08171	12.2
188.09323	1.4
188.10796	1.6
202.12299	11.8
202.18164	0.8
217.13390	2.2
228.10985	1.0
233.58720	0.7
241.11673	1.3
245.12898	3.0
245.16504	12.5
257.11157	2.6
259.01279	0.6
269.11179	0.9
273.12549	1.0
281.08636	1.4
287.13876	3.7
305.01959	3.7
305.05765	2.5
305.14850	3.8
305.18600	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2226
Annotation	Serratinidine
Peak:m/z	Relative Intensity
52.87010	0.3
53.03951	0.4
55.05503	0.9
56.96560	0.8
57.07072	0.7
67.05495	1.3
69.03426	0.9
69.07057	1.4
71.04985	0.6
71.60975	0.3
79.05488	0.9
81.03416	0.4
81.07056	1.7
83.04973	0.4
83.08603	0.4
85.02917	0.3
91.05468	1.2
93.07038	1.4
95.01299	0.4
95.04953	0.6
95.08617	2.0
96.08128	0.4
97.06546	0.6
97.10121	0.5
98.97575	0.5
103.05424	0.3
104.22117	0.3
105.07037	1.6
107.08602	2.0
109.02876	0.6
109.06550	0.4
109.10180	0.7
116.02396	0.3
119.08585	1.1
121.06514	0.3
121.10107	0.7
123.07948	0.3
123.08265	0.4
123.09188	5.1
123.11669	0.4
124.11226	1.3
124.71397	0.3
125.09580	0.4
131.08580	0.4
132.01663	0.3
133.10124	1.4
135.11646	0.7
136.07581	0.4
138.09015	0.3
140.65627	0.3
145.10049	0.6
147.11673	0.5
149.09653	0.5
149.10727	2.1
149.13254	1.0
151.02664	0.3
151.03856	0.6
151.11191	0.4
153.01831	0.7
159.08089	0.3
161.09567	0.6
163.11032	0.5
163.12318	7.4
164.13103	36.7
177.13905	0.4
189.13884	0.6
198.03308	0.3
203.15434	1.4
204.16278	1.7
245.20139	77.6
246.20555	0.8
287.01978	0.7
287.05801	0.3
305.08047	0.9
305.22229	100.0
306.22476	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1498
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95542	0.4
53.03949	1.1
53.08982	0.4
67.05524	0.5
70.85286	1.3
79.05487	1.0
81.03429	0.4
81.07052	0.7
91.05486	3.7
93.05781	0.7
93.07052	2.4
94.06600	1.0
95.04973	1.2
96.08122	1.0
108.04481	0.8
108.08122	1.7
109.41134	0.4
122.06049	2.9
122.28282	0.4
124.06696	0.7
124.07606	9.4
126.05518	1.1
136.07584	100.0
137.07930	0.6
138.09142	1.0
140.07069	1.0
150.05531	1.2
152.07076	18.6
164.07077	69.9
168.44870	0.4
170.08131	5.5
182.08138	14.9
284.96536	0.4
287.13980	2.5
305.05560	3.2
305.14886	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82802	0.3
53.03954	1.3
61.22840	0.3
65.03936	0.4
67.05512	0.8
70.75756	0.7
70.76091	0.3
72.57121	0.3
77.03942	0.4
79.05514	0.8
81.05863	0.3
81.07063	1.1
91.05492	3.8
91.06021	0.5
93.05804	0.4
93.07056	2.6
94.06567	0.7
95.04964	1.4
96.08147	0.4
96.26841	0.3
105.04517	0.3
108.04495	0.7
108.08142	1.7
122.06043	3.2
124.07597	9.9
126.05534	1.1
128.55637	0.3
131.82515	0.3
133.10089	0.3
136.07584	100.0
137.07933	0.8
138.09126	0.7
140.07056	0.7
150.05531	0.7
152.07077	17.0
164.07074	73.9
170.08119	3.0
182.08145	13.9
184.09679	0.3
244.59990	0.3
246.84169	0.3
249.99417	0.3
287.13904	4.1
305.05609	2.2
305.14944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1345
Annotation	2'-Deoxymugineic acid
Peak:m/z	Relative Intensity
56.05036	6.7
57.03439	1.8
58.06600	4.0
60.04524	1.1
68.05021	3.7
70.06594	20.6
70.45142	0.4
70.64816	1.2
70.65160	0.4
72.06135	0.5
72.08150	1.4
74.65710	0.4
80.45966	0.5
84.04507	0.7
84.08140	1.7
85.02911	2.4
86.02443	0.4
86.06068	26.2
88.03995	6.5
96.08125	0.8
98.06071	0.7
98.09710	0.7
100.07610	1.8
102.05539	3.4
103.03942	7.5
112.07614	3.9
113.07083	1.1
114.05530	76.4
114.09158	4.0
128.07043	1.8
130.05008	6.7
130.08594	0.7
132.06575	2.0
140.07068	5.2
141.13867	0.9
142.05003	1.3
142.08640	24.5
145.08336	0.5
146.08134	8.6
158.04568	2.6
158.08125	13.3
160.09694	6.0
168.06555	2.7
169.09729	6.3
171.11249	0.8
185.09163	1.1
186.07617	100.0
187.08002	1.3
188.08081	0.6
197.09232	6.0
204.08673	10.3
213.55609	0.5
214.70787	0.6
215.10283	1.7
241.11844	7.4
243.13416	0.9
246.64119	0.6
257.97687	2.1
258.97366	2.1
259.12863	1.5
269.11374	1.5
277.14044	0.6
287.12375	53.4
288.12592	0.9
299.98898	0.6
305.13425	21.7
305.16928	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40113	0.7
69.46200	4.8
69.46603	1.6
69.84709	0.7
79.05425	0.8
84.23256	0.8
95.08611	1.0
106.38708	0.7
187.05527	0.7
189.06989	43.9
190.07695	2.4
191.08559	5.6
205.06512	2.4
217.06503	43.1
218.07219	2.0
219.08057	6.9
221.05991	1.4
235.07506	1.1
245.05957	6.0
246.06779	2.4
247.07559	80.4
248.08005	1.4
249.09155	2.1
259.07455	1.6
262.06354	1.0
275.07034	100.0
276.07486	1.4
305.08096	76.2
306.08514	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62481	1.2
56.05010	1.3
56.96571	11.7
57.03434	2.2
58.06588	1.8
60.06979	1.1
61.02914	3.8
66.71350	1.3
69.03432	11.6
70.06589	4.8
70.96445	2.8
70.98090	1.5
73.02914	3.4
78.12334	1.2
81.03406	3.9
82.06573	3.1
84.08121	2.9
84.96025	1.9
85.02903	28.1
86.03192	1.5
86.06063	3.7
88.99141	1.3
93.86824	1.2
96.45300	1.6
97.02894	35.4
98.03278	1.1
98.09692	3.2
98.97598	7.3
99.04441	1.8
99.10027	2.9
107.01756	1.3
107.62566	1.1
109.02864	3.9
110.03210	1.5
110.97590	2.7
114.05534	11.5
116.98647	2.5
119.01935	2.1
120.02644	2.1
124.03980	1.6
124.11202	3.4
125.02358	100.0
125.11575	5.9
125.60714	1.3
127.03899	5.8
128.98622	2.5
131.01939	1.6
141.02158	1.8
142.08650	3.9
142.12250	5.1
143.03412	73.0
143.12643	2.6
144.10222	3.6
144.98080	1.9
145.04929	3.4
158.08102	1.5
158.97258	2.5
158.99635	1.4
161.02933	1.7
162.99146	1.9
174.99126	3.6
185.02927	1.2
186.07640	15.0
193.00137	1.9
200.98369	2.9
201.00572	1.6
202.05984	5.4
205.00237	5.3
219.01770	1.8
223.01268	5.5
237.02811	2.2
241.11855	2.0
244.99725	3.8
245.04863	1.6
263.00705	1.3
287.12494	8.1
305.03186	9.5
305.12033	13.1
305.17831	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	304.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02757	0.4
53.03936	1.3
55.01853	1.0
55.05504	2.8
56.05012	0.8
56.79382	0.5
56.96561	0.6
57.03440	3.2
61.02924	2.7
65.18020	0.4
69.03432	21.2
70.06577	1.4
70.21802	0.4
70.42073	1.4
70.42479	0.7
71.01360	0.6
71.04999	2.7
73.02919	2.2
79.05477	0.5
81.03420	10.0
81.07056	1.5
82.02937	0.8
82.06580	10.4
83.01382	0.5
83.04984	1.5
83.07346	0.6
84.08167	1.1
85.02906	34.3
87.04459	1.3
91.03955	1.2
92.78827	0.4
96.08130	1.4
97.02898	8.4
97.08925	0.8
98.09695	25.9
98.97569	0.5
99.04469	3.5
100.03929	0.5
101.02396	1.3
103.03944	0.8
109.02886	4.0
110.09734	0.5
110.97544	0.5
111.04430	1.6
112.99175	0.5
114.62180	0.5
124.03909	0.7
124.11233	53.4
127.03915	14.3
129.05489	1.4
139.64037	0.4
140.08098	0.5
141.01195	3.2
142.04991	1.6
142.12276	37.5
145.04976	4.3
153.00687	0.4
153.01811	2.1
163.04475	0.5
171.06497	0.7
172.05391	0.9
178.04990	0.9
178.17252	0.5
189.07539	0.9
219.01849	0.6
222.57841	0.6
230.01723	0.7
237.02863	0.7
244.15396	1.1
258.01065	0.7
260.15039	0.5
268.15451	1.8
286.16504	8.1
303.60248	0.6
304.01807	3.1
304.10483	2.0
304.17551	100.0
305.06180	0.5
305.12161	3.1
305.17877	0.9
329.96277	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01865	1.0
55.05504	1.6
57.03439	3.1
59.04982	0.6
61.02925	2.8
69.03072	1.0
69.03432	18.4
69.92362	0.8
69.92773	1.5
70.06593	0.9
71.01347	0.5
71.04977	1.7
73.02924	1.4
78.02956	0.6
78.78624	0.5
81.03419	10.6
81.07061	1.2
82.06581	9.5
83.04974	1.6
84.08115	0.7
85.02907	30.8
87.04459	1.5
91.03938	0.9
94.62461	0.4
96.08121	1.4
97.02903	8.0
98.09694	26.7
98.21434	0.7
99.04457	3.8
99.66349	0.4
103.03951	1.1
109.02859	3.9
110.09690	0.5
111.04419	1.0
114.05534	0.6
124.11235	49.5
127.03918	13.2
129.05461	1.6
141.01186	0.5
142.12279	39.1
145.04964	5.1
157.97585	1.1
171.06537	0.8
199.98631	1.2
214.00211	1.1
244.15485	1.5
268.15454	1.4
286.16507	9.3
304.03809	4.6
304.08081	2.7
304.17554	100.0
305.03134	1.1
305.12109	2.1
305.17722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2319
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
53.03954	2.6
55.01878	2.0
55.05510	10.7
56.96561	4.3
57.03451	1.4
57.07069	5.3
65.03938	1.9
67.05507	18.3
69.03431	4.2
69.07070	28.9
70.25160	1.3
70.39381	4.7
71.04993	3.8
79.05498	14.6
81.07061	42.2
83.04993	4.9
83.08626	8.7
85.02895	2.0
85.06543	3.1
91.05484	20.6
93.07046	31.4
95.04967	5.9
95.08608	32.3
97.02921	1.5
97.06522	4.1
97.10157	3.2
98.20837	1.5
98.97568	1.7
99.04444	1.7
103.05480	5.7
105.03372	3.8
105.07027	30.5
107.04950	1.7
107.08604	33.5
109.06525	6.3
109.10152	31.2
111.04453	1.6
111.08073	2.0
113.09644	1.6
117.07020	3.5
119.04942	4.0
119.08576	24.7
119.09344	2.3
121.06491	6.0
121.10155	34.3
123.08070	5.3
123.11729	11.1
125.06020	1.6
129.06946	1.3
131.04947	4.4
131.08560	7.5
133.10118	14.6
135.08031	6.2
135.11707	18.7
137.02390	1.5
137.05968	8.9
137.09651	3.2
137.13315	3.3
139.07530	1.3
139.11203	3.0
143.08528	2.9
145.02806	2.9
145.06526	1.6
145.10109	14.9
147.04375	1.9
147.08041	5.9
147.11707	14.8
149.05949	4.3
149.09665	5.3
149.13266	8.4
151.07550	7.8
151.11182	1.7
153.01802	5.2
153.05475	3.1
153.06960	3.4
153.09047	2.4
155.08583	4.5
157.10149	4.3
159.08055	2.4
159.11699	12.8
161.09637	4.8
161.13242	8.3
163.03964	2.6
163.07494	2.5
163.11171	4.8
163.14871	4.8
165.06975	11.2
165.09085	3.1
165.12799	1.7
167.07031	1.8
167.08502	2.2
167.10733	3.1
168.05807	3.5
169.06474	2.2
169.10092	2.7
171.11716	3.4
173.02351	4.7
173.09639	2.9
173.13271	9.3
175.11253	3.4
175.14890	6.5
177.09064	2.0
177.12785	2.7
177.16357	3.8
179.10738	2.0
181.06483	3.0
183.08047	11.9
185.06007	1.7
185.13205	2.4
187.11148	2.0
187.14835	7.0
189.16344	3.7
191.03299	2.7
191.10760	2.3
193.12270	3.4
196.05231	2.6
199.14803	2.0
201.01872	11.6
201.12849	2.7
201.16362	5.7
203.17966	5.8
207.04472	1.6
211.07553	9.9
211.14835	3.3
213.05489	1.9
215.10776	2.4
215.14233	2.1
217.16162	1.4
221.15372	1.8
225.09164	1.9
228.07684	1.6
229.01378	8.9
229.04947	2.7
229.15842	3.4
231.02806	1.8
233.15189	1.9
235.17001	1.8
239.07021	3.0
241.19533	1.5
243.10182	8.9
243.21132	3.9
247.02493	6.9
247.16977	6.2
256.07358	1.6
257.00809	21.3
257.22653	5.4
259.02267	2.2
267.21255	2.5
271.09671	14.4
275.01978	16.7
285.00262	14.7
285.22159	7.1
288.09787	2.0
300.67401	2.9
303.01358	100.0
303.04953	21.0
303.08676	3.3
303.12033	8.0
303.16043	1.4
303.20026	2.4
303.23218	32.3
303.26669	2.8
304.01755	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
53.49318	0.3
64.95482	0.3
65.03950	0.6
67.05493	0.4
68.99775	0.5
69.07063	1.7
69.55059	2.4
79.05482	1.3
81.07045	0.9
82.06572	0.7
89.03924	0.8
91.05458	0.7
92.05010	1.1
93.06371	0.3
94.06579	2.1
96.04520	0.4
96.08125	0.5
98.21548	0.7
100.54177	0.4
106.06570	2.1
107.04971	0.7
107.07357	0.6
109.06484	0.5
110.06049	5.7
112.07598	1.2
116.04956	1.1
120.04472	13.0
121.05263	0.4
122.06034	3.6
124.07601	4.0
124.11254	0.4
134.06018	3.0
135.04434	0.6
136.07516	0.5
138.05501	0.4
140.07077	7.0
141.07857	5.7
142.08635	16.8
144.04454	1.2
146.06044	0.5
147.04364	0.4
154.08633	1.5
162.05504	100.0
163.06134	1.4
164.07103	0.8
166.43442	0.4
173.02328	0.4
183.08000	0.4
201.01854	1.4
205.03691	0.4
215.11853	0.4
216.06635	0.4
216.10246	1.4
217.13351	0.6
221.06143	0.4
222.33748	0.4
229.01405	1.5
230.08194	0.9
240.10335	0.5
243.11351	1.6
244.09792	1.3
247.02437	0.8
257.00729	2.6
258.11270	3.3
261.12344	7.5
275.01923	2.3
279.13535	1.4
285.00305	1.9
285.12430	2.2
286.10736	3.0
303.01392	13.2
303.05157	1.0
303.13364	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20430	0.5
54.41538	0.5
54.78588	0.6
55.56021	0.4
56.96572	3.0
63.13868	0.5
69.03417	1.5
70.01792	0.5
70.06564	0.7
70.60358	1.1
70.60702	0.8
81.03429	0.8
84.95997	0.7
85.02921	1.1
89.03924	1.2
91.05501	1.0
97.02896	0.9
98.97597	18.0
101.00887	0.7
109.02864	0.7
110.07180	0.7
110.97604	1.2
113.54120	0.6
116.98641	4.9
117.03432	0.6
119.01954	1.2
119.04931	0.5
121.02816	1.2
124.11264	3.0
125.11575	1.7
127.03933	0.8
127.58351	0.5
128.98575	0.7
134.99652	0.9
135.18681	0.5
141.05356	1.7
141.06438	0.5
145.02856	2.2
146.99692	0.6
147.04433	1.5
152.58047	0.5
153.01875	3.1
156.97461	1.0
157.02823	0.9
158.99673	8.2
161.04593	0.7
163.03932	0.9
173.02353	5.3
174.98615	0.6
175.03918	1.2
177.00748	5.6
180.97516	0.7
183.00893	0.8
185.02385	0.6
186.07596	1.2
191.03499	1.0
198.98509	1.8
201.01881	12.9
203.03435	1.9
213.00064	0.6
213.01886	1.7
217.01422	0.9
219.01564	1.2
219.03087	1.0
229.01370	9.4
231.02849	1.1
237.02701	1.0
241.01355	1.6
247.02429	8.8
257.00845	22.4
259.02319	2.8
275.01883	17.3
284.97116	0.9
285.00284	14.8
286.00699	0.9
303.01334	100.0
303.10736	7.3
304.01645	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	303.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
56.59531	2.0
69.03438	3.1
70.02927	7.0
70.03300	4.3
70.17368	2.2
71.05013	2.8
82.99925	2.1
85.02933	2.0
97.02879	1.8
98.06018	1.8
99.31069	1.7
100.33198	1.7
101.00887	9.5
109.55064	1.9
119.01935	6.5
124.11282	5.1
138.96439	5.2
143.01999	3.5
145.03433	3.0
154.53107	2.0
156.97490	23.5
157.03561	4.1
174.97253	2.2
174.98511	11.8
180.97444	8.8
186.07750	4.0
188.15079	2.1
194.99127	5.9
198.98543	37.1
199.00266	2.5
200.98373	3.0
205.05678	5.2
210.98618	2.6
213.00127	21.1
215.15776	2.0
216.99721	4.2
218.36667	2.3
223.06631	2.2
225.00204	3.2
231.01227	3.0
244.48209	2.1
257.00885	1.8
285.02316	6.8
303.03409	100.0
303.10684	8.2
303.16031	2.4
304.17801	5.8
304.40387	2.0
315.35367	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	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.01867	0.5
56.15288	0.1
63.77971	0.1
65.03927	0.5
67.01855	0.3
67.05492	0.3
68.99789	2.7
69.03416	0.3
70.12921	0.6
81.03422	1.0
82.02526	0.1
91.05473	0.3
93.03400	0.7
95.04994	0.9
98.97579	0.7
103.05428	0.2
105.03370	0.2
105.07022	0.2
107.01308	0.1
109.02879	1.1
110.03611	0.1
110.31346	0.1
111.00801	2.0
115.05460	0.4
116.98610	0.3
117.07031	0.5
119.04947	0.2
121.02874	1.9
123.04478	0.7
127.03919	0.6
131.04907	0.4
133.02917	0.1
133.06503	0.2
135.04407	0.6
137.02353	7.7
137.03400	0.4
137.05974	0.4
145.02885	0.3
145.06474	0.8
149.02367	0.9
149.05922	0.2
151.03877	0.2
153.01833	10.8
155.04919	1.3
155.06067	0.2
157.06502	0.3
158.99632	0.3
159.04411	0.2
161.05984	0.8
163.03932	1.5
165.00500	0.3
165.01834	4.1
166.02620	0.7
173.02417	0.3
173.06004	1.8
177.00620	0.2
177.05513	0.2
179.03352	0.4
181.90298	0.2
183.02882	1.5
183.04419	1.3
187.03889	1.1
191.03392	0.3
195.02882	0.5
201.01746	0.2
201.05453	4.7
202.76126	0.1
203.03371	0.2
205.04982	0.7
207.02899	0.4
211.03894	0.2
213.05551	0.3
215.03297	0.2
219.02931	0.3
219.06529	0.7
228.04271	0.7
229.04970	9.6
232.03453	0.2
239.03467	0.4
245.04608	0.3
246.05405	0.2
247.02390	0.2
247.05942	1.1
257.00912	0.4
257.04459	5.0
274.04782	1.5
275.01834	0.4
275.05463	0.4
285.00674	0.2
285.03909	2.5
303.04990	100.0
304.05338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
55.01871	0.3
55.03006	0.1
63.74340	0.1
65.03947	0.6
67.01859	0.4
67.05495	0.3
68.99423	0.1
68.99792	2.3
69.03421	0.3
69.34904	0.8
70.06571	0.1
71.01344	0.1
71.04990	0.1
74.09728	0.1
81.03419	0.8
81.07030	0.1
85.02886	0.1
91.05491	0.3
93.03400	0.8
95.04971	0.8
97.02905	0.1
103.05457	0.1
105.03416	0.2
105.06972	0.1
107.01311	0.1
107.04953	0.3
109.02892	1.0
109.86003	0.1
110.03658	0.1
111.00800	1.9
111.04491	0.1
115.05439	0.2
117.07013	0.4
121.02874	1.9
123.04465	0.6
126.03086	0.1
127.03922	0.4
128.06203	0.1
129.07040	0.1
131.04924	0.3
133.02863	0.1
133.06433	0.2
135.04382	0.6
136.07660	0.2
137.02348	7.6
137.03389	0.5
137.05952	0.3
143.04906	0.1
143.08591	0.1
145.02844	0.3
145.06525	0.7
147.04411	0.1
149.02353	1.0
149.05913	0.1
151.03912	0.1
153.01830	10.4
154.02211	0.1
155.04924	1.3
155.06055	0.1
157.06535	0.2
159.04399	0.2
160.05208	0.1
161.05994	0.7
163.03925	1.2
164.07054	0.6
165.01843	4.2
166.02614	0.6
171.93500	0.1
173.02365	0.2
173.05995	1.3
177.01839	0.2
177.05473	0.3
179.03410	0.3
183.02873	1.7
183.04436	1.1
184.05153	0.1
185.06020	0.1
187.03935	0.9
189.05412	0.1
191.03450	0.5
191.06978	0.1
193.01352	0.1
195.02908	0.6
200.04637	0.2
200.26060	0.1
201.01801	0.3
201.05469	4.7
203.03348	0.2
205.05020	0.4
207.02873	0.2
211.03882	0.4
211.07391	0.1
213.05481	0.3
215.03360	0.1
217.05214	0.1
219.02933	0.2
219.06549	0.7
228.04210	0.6
229.01273	0.3
229.04962	9.3
230.05374	0.2
231.02861	0.1
232.03719	0.2
233.04311	0.1
239.03618	0.4
245.04474	0.2
246.05310	0.1
247.02257	0.2
247.06030	1.3
257.00925	0.4
257.04459	5.3
258.05106	0.1
271.09677	0.1
274.04700	1.5
275.01941	0.3
275.05457	0.4
285.00430	0.3
285.03909	2.2
286.04532	0.2
303.04980	100.0
304.05313	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.2
55.01857	0.5
56.16708	0.1
65.03929	0.6
67.01861	0.5
67.05502	0.3
68.99792	2.2
69.03408	0.2
69.92146	0.6
71.01331	0.1
71.37399	0.1
74.35268	0.1
81.03414	0.9
85.02919	0.1
91.05474	0.3
93.03391	0.8
95.01321	0.2
95.04961	0.6
97.02907	0.2
105.03391	0.2
105.07032	0.3
107.04939	0.3
109.02879	1.3
111.00806	1.7
115.05439	0.3
117.03389	0.2
117.06988	0.3
121.02874	2.0
123.04430	1.0
124.11144	0.2
125.11467	0.2
127.03878	0.5
131.04906	0.3
133.03812	0.1
135.04388	0.8
137.02345	7.6
137.03398	0.5
143.04956	0.2
145.02818	0.5
145.06485	0.9
147.04385	0.3
149.02330	0.8
151.03918	0.2
153.01837	10.2
155.04926	0.9
155.06021	0.2
157.06537	0.2
159.04280	0.3
161.06004	0.7
163.03896	1.4
165.01836	3.9
166.02708	0.7
167.03383	0.2
173.02431	0.8
173.05978	1.6
177.01837	0.3
177.05513	0.2
179.03328	0.4
183.02858	1.3
183.04417	1.1
185.05931	0.2
187.03958	0.9
191.03319	0.5
195.02878	0.7
201.01797	1.7
201.05466	4.8
203.03351	0.3
205.04955	0.4
207.02859	0.3
211.03963	0.5
213.05486	0.2
215.03381	0.3
219.02885	0.5
219.06551	0.5
227.10507	0.2
228.04185	0.5
229.01549	1.4
229.04964	10.0
231.02838	0.4
239.03371	0.5
240.11221	0.3
241.01212	0.2
243.02879	0.2
247.02405	1.4
247.06030	1.5
252.46097	0.2
256.10800	0.4
257.00800	2.5
257.04419	5.5
259.02261	0.4
267.03012	0.2
267.11252	0.4
268.10770	0.2
274.04712	1.6
275.01828	2.2
275.05328	0.5
285.00262	1.9
285.03900	2.4
285.07220	0.3
285.07889	0.2
285.12146	0.3
286.11862	0.3
303.01401	13.6
303.04935	100.0
304.05338	1.3
321.04803	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.05
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01855	0.4
56.96561	0.1
65.03934	0.8
67.01849	0.4
67.05489	0.5
68.99789	2.6
69.03421	0.3
70.06581	0.2
71.01335	0.1
71.04958	0.2
79.05492	0.2
81.03417	1.0
81.07049	0.3
84.65279	0.1
85.02897	0.6
88.07646	0.1
89.03917	0.2
91.05487	0.4
93.03400	0.5
93.06977	0.1
95.04954	0.9
95.08581	0.1
97.02861	0.4
98.97577	0.3
103.05458	0.4
105.03397	0.2
105.07030	0.3
107.04945	0.4
109.02869	1.3
111.00805	1.9
111.04411	0.3
115.05490	0.2
117.03376	0.4
117.07018	0.4
119.04921	0.4
121.02863	2.3
123.04424	1.0
124.11259	0.3
125.11592	0.2
127.03903	0.6
131.04938	0.5
133.02826	0.3
133.06439	0.2
135.04404	0.7
137.02342	8.7
137.03384	0.6
137.05927	0.3
143.04974	0.1
145.02817	0.6
145.05048	0.2
145.06483	0.9
147.04414	0.5
149.02328	1.0
153.01822	11.3
155.04900	1.0
155.06049	0.3
157.02841	0.3
157.04073	0.2
157.06535	0.2
159.04439	0.3
161.05959	0.6
163.03911	1.7
163.07494	0.2
165.00508	0.2
165.01840	3.9
166.02603	0.5
169.01318	0.3
173.02393	1.1
173.05971	1.7
173.07343	0.2
175.03891	0.3
177.01927	0.3
177.05400	0.3
179.03394	0.4
183.01167	0.2
183.02876	1.6
183.04440	1.0
185.02286	0.2
187.03925	1.5
191.03432	0.8
191.06970	0.3
195.02914	0.5
201.01823	2.7
201.05475	4.4
203.03365	0.5
205.04973	0.4
206.08452	0.1
207.02856	0.2
211.03893	0.4
213.01790	0.3
213.05511	0.4
215.03308	0.4
217.01379	0.2
219.02946	0.7
219.06526	0.5
227.10551	0.3
228.04205	0.7
229.01506	2.1
229.04944	10.7
231.02873	0.4
232.03677	0.2
239.03456	0.4
239.11836	0.2
240.11325	0.3
241.01166	0.2
245.04416	0.2
246.05333	0.2
247.02408	1.7
247.05977	1.2
256.10815	0.5
257.00818	4.6
257.04434	5.4
258.01114	0.2
259.02432	0.5
267.11282	0.4
271.09732	0.1
272.11484	0.1
274.04755	1.5
275.01871	3.6
275.05072	0.2
285.00290	3.5
285.03912	2.7
285.08841	0.2
285.12320	0.6
286.01019	0.2
286.04434	0.2
286.11813	0.4
303.01392	21.6
303.04962	100.0
304.01675	0.4
304.05313	1.2
304.12646	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.041
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69124	0.3
53.64566	0.3
56.96500	0.5
69.71549	1.5
71.44112	0.4
71.68181	0.3
78.94319	0.3
98.97573	2.4
101.00764	2.3
116.98541	1.4
119.01920	6.0
134.99625	0.5
137.02855	1.1
141.74663	0.3
149.45383	0.3
158.99811	1.5
165.99663	0.5
171.67683	0.3
176.85628	0.4
177.00958	13.7
178.00957	1.4
179.00639	1.4
181.76846	0.4
200.02393	0.3
201.00746	2.5
203.00708	0.6
203.03360	0.3
217.04056	1.8
219.02008	23.3
220.02113	2.4
221.01787	3.2
225.00896	1.9
229.01331	0.6
234.99989	0.6
243.01990	10.3
244.02164	1.4
247.02391	0.6
256.96768	1.1
257.00769	1.7
258.99899	0.6
261.03052	100.0
262.03201	11.5
263.03094	1.2
266.03464	0.4
275.01855	1.2
275.04526	0.6
277.01120	0.5
279.00723	1.7
279.05933	0.5
279.98138	0.9
282.99945	2.3
284.04581	2.0
284.99884	5.5
285.03616	0.3
285.04556	0.4
301.01102	2.7
303.01190	13.9
303.04999	2.0
320.97440	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0498
Annotation	Quercetin
Peak:m/z	Relative Intensity
51.08970	0.1
53.03940	0.2
54.03785	0.1
54.23771	0.1
55.01863	0.5
58.03524	0.1
63.51110	0.1
65.03937	0.7
67.01862	0.5
67.05489	0.4
68.99790	2.5
69.03416	0.3
69.71765	0.2
69.72168	0.4
79.01846	0.1
81.03415	0.8
81.07069	0.1
91.05471	0.3
93.03402	0.8
95.01359	0.1
95.04961	1.0
95.08645	0.1
97.02905	0.2
103.05463	0.2
105.03409	0.2
105.07021	0.2
107.04950	0.2
109.02870	1.2
110.03642	0.2
111.00807	2.1
111.04413	0.2
115.05447	0.2
117.07037	0.5
119.04951	0.2
121.02869	2.4
123.04419	0.8
127.03947	0.5
129.06984	0.2
131.04956	0.5
133.02798	0.2
133.06413	0.2
135.04427	0.7
137.02350	8.1
137.03404	0.7
139.05380	0.1
143.04863	0.1
145.02843	0.4
145.06523	0.8
147.04398	0.3
149.02341	0.9
151.03889	0.2
153.01831	11.3
154.02133	0.1
155.04918	1.2
155.06053	0.2
157.06496	0.2
159.04401	0.3
161.05981	0.7
163.03908	1.4
165.01833	4.4
165.06998	0.2
166.02617	0.6
171.04379	0.1
173.02315	0.4
173.05974	1.4
177.01816	0.2
177.05467	0.2
179.03313	0.5
183.02866	1.7
183.04425	1.3
184.05110	0.1
185.02432	0.1
185.05983	0.1
187.03937	1.0
191.03441	0.6
191.04942	0.1
191.07043	0.3
193.05046	0.1
194.02040	0.1
195.02924	0.5
200.04695	0.2
201.01855	1.1
201.05469	4.7
203.03363	0.1
205.04927	0.5
207.02866	0.3
211.03906	0.4
213.01987	0.1
213.05515	0.2
215.03276	0.2
219.02873	0.4
219.06534	0.6
228.04210	0.7
229.01306	0.7
229.04965	9.7
231.02814	0.3
232.03671	0.3
233.04469	0.2
239.03554	0.6
239.13300	0.1
241.01309	0.1
245.04539	0.2
246.05263	0.2
247.02361	0.5
247.06033	1.4
257.00845	1.5
257.04431	5.6
258.05222	0.1
259.02368	0.2
267.02850	0.1
274.04758	1.6
275.01843	1.1
275.05359	0.4
285.00320	1.2
285.03912	2.6
286.04404	0.2
303.01520	8.2
303.04956	100.0
304.01785	0.2
304.05261	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0134
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
55.05507	1.1
56.96553	3.5
57.07061	1.2
60.04517	2.4
67.05508	1.1
69.07091	1.5
70.06607	1.8
79.05507	1.2
81.07053	2.4
83.08640	1.0
85.55275	0.9
88.07644	1.7
91.05474	1.5
93.07068	1.1
95.08607	2.2
105.07034	1.5
106.08668	1.2
107.08605	1.3
109.10131	0.9
116.00169	1.0
117.07034	0.8
119.08620	0.9
121.10119	1.2
122.98476	0.7
133.10106	0.9
136.78572	0.8
139.32639	0.7
145.02861	2.8
145.10144	1.5
147.04361	1.0
147.11703	1.1
153.01828	1.5
157.02881	1.2
163.03850	1.1
173.02306	4.6
173.88133	0.8
175.03883	1.2
185.02344	1.1
189.12857	1.0
191.03418	1.7
201.01823	11.2
203.03375	1.5
212.72081	0.8
213.01810	1.0
217.01492	1.0
219.02919	2.0
229.01338	7.1
231.02864	1.3
241.01286	1.6
243.18625	1.3
247.02425	7.2
257.00803	19.3
259.02457	3.1
275.01849	16.0
284.29614	2.7
285.00314	14.7
302.22116	1.1
302.30600	12.9
303.01376	100.0
303.04877	7.2
303.20154	1.6
303.30881	3.2
304.01736	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0329
Annotation	Narcobarbital
Peak:m/z	Relative Intensity
51.86512	0.4
59.34529	0.4
66.26951	0.4
69.03430	1.1
71.50864	0.5
71.51183	0.5
72.25901	0.4
81.04535	0.7
82.99864	0.8
101.00886	6.9
112.88687	0.5
115.02387	0.5
119.01931	7.4
120.95396	1.0
127.02409	0.6
133.03439	0.6
138.05527	1.8
138.96414	5.1
139.02403	1.2
139.05818	1.5
140.08203	1.1
141.06642	0.5
141.08582	0.8
143.01895	1.8
145.03490	2.1
153.03235	2.0
156.97482	23.0
157.03497	4.5
161.02957	1.3
163.04602	0.5
174.98546	12.2
175.04526	2.0
180.97473	9.5
182.97382	0.8
182.99030	0.8
184.97118	0.6
192.97519	0.8
194.99040	6.0
198.98544	32.9
200.98364	1.3
205.05594	6.4
205.55646	0.9
206.99074	0.5
209.00676	0.5
210.98495	2.8
213.00102	19.7
216.99574	4.7
223.06557	2.2
225.00110	2.0
231.01205	1.3
231.77681	0.4
237.00038	0.5
280.94904	0.5
285.02213	5.2
291.90488	0.4
303.03271	100.0
303.13663	1.9
304.03378	1.5
321.04507	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0138
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
50.85749	0.3
53.03939	0.3
65.03936	0.3
66.69889	0.3
67.05492	0.6
67.29615	0.3
68.99801	0.6
69.07059	0.6
71.04967	0.4
71.61204	0.5
79.05502	0.7
81.03424	0.4
81.07050	0.7
89.03921	0.5
91.05480	1.1
94.06567	0.8
95.04979	0.6
95.08602	0.4
96.75723	0.3
97.02879	0.3
105.07041	0.5
107.07333	0.6
111.00798	0.4
117.03378	0.5
117.07038	0.3
121.02811	0.4
122.06035	2.7
123.04398	0.6
124.11243	1.5
125.11568	0.8
129.03320	0.6
131.04927	0.6
135.04456	0.4
136.07579	0.8
137.02333	2.4
137.05965	0.7
140.07115	2.4
145.02834	2.5
145.06467	0.4
147.04398	1.3
151.07503	0.3
153.01819	3.4
155.04947	0.3
157.02850	0.9
161.05992	0.4
162.05511	3.3
163.03891	1.0
163.06276	0.4
164.07098	1.1
165.01778	0.7
173.02338	4.3
175.03891	0.9
183.00778	0.8
183.02856	0.4
183.08008	0.3
185.02345	1.0
191.03386	1.8
198.09012	0.4
200.99950	0.6
201.01837	11.2
201.05475	1.0
203.03398	1.7
205.04808	0.3
207.02841	0.4
211.07509	0.4
213.01865	1.3
217.01262	0.6
219.02878	1.5
229.01331	8.1
229.04848	2.9
231.02895	2.0
235.61749	0.3
239.11813	0.3
241.01280	1.1
243.11226	0.6
247.02400	7.6
247.06093	0.3
253.56516	0.3
257.00818	18.4
257.04413	0.9
258.11346	0.8
259.02350	2.1
271.09644	0.3
275.01868	16.7
285.00330	15.5
285.03720	0.9
285.12280	1.2
286.00916	0.5
286.10623	0.3
303.01328	100.0
303.04953	29.7
303.12683	2.4
304.01617	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0136
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
65.03947	0.3
66.29838	0.3
70.73309	0.7
78.27757	0.3
79.05477	0.3
81.36606	0.3
89.03936	0.5
91.05479	0.9
96.09951	0.3
107.04939	0.4
108.33948	0.3
117.03387	1.3
127.30815	0.3
129.03397	0.5
137.02344	0.5
137.10844	0.3
145.02879	2.2
147.04414	0.8
148.70778	0.3
151.03947	0.3
153.01788	0.5
155.29170	0.3
157.02852	1.0
161.02344	0.5
163.03868	1.4
173.02344	5.1
175.03937	1.1
183.00725	1.0
185.02377	1.0
187.04030	0.3
191.03394	2.8
201.01831	11.7
203.03462	1.8
213.01830	1.1
215.38486	0.3
217.01396	0.6
219.02899	2.0
229.01323	10.4
229.04871	0.5
231.02858	2.1
233.00751	0.3
239.68034	0.3
241.01369	1.1
247.02391	8.5
257.00824	19.4
259.02347	2.5
270.91409	0.3
275.01859	16.7
285.00330	14.1
285.03329	0.5
285.12231	0.5
286.01169	0.4
303.01376	100.0
303.13699	1.5
304.01816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22270	4.5
51.83186	5.2
57.03445	5.9
57.75149	4.6
61.02929	5.6
61.98949	4.6
67.05499	10.8
69.03436	16.9
70.58672	5.0
71.05123	5.7
71.05460	9.2
76.22919	4.8
81.07033	8.7
82.72688	5.6
85.02904	100.0
91.05512	6.8
97.02906	39.7
103.03927	7.9
108.08097	9.8
109.02876	12.5
122.06033	11.1
125.05970	6.4
126.05532	8.4
127.03893	19.9
136.07587	19.7
140.07077	61.3
145.04977	6.3
150.09198	7.3
152.07074	22.4
154.08672	7.6
164.07068	26.0
178.08675	21.1
182.08127	96.0
201.01877	11.7
206.08102	41.3
218.08200	6.7
257.00861	10.6
275.01877	8.5
284.14197	5.5
285.00247	5.4
303.01413	60.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05502	1.8
56.96569	0.6
57.07069	0.8
65.38840	0.5
67.05504	3.1
69.07062	1.9
69.65697	4.0
79.05492	2.5
81.07042	2.2
83.08603	0.7
91.05481	5.5
93.07022	2.3
95.05015	0.7
95.08608	3.1
97.06551	0.7
103.05460	0.5
105.07032	11.9
107.08604	3.2
109.10146	2.5
115.05437	1.3
116.06232	1.1
117.07027	5.0
119.08575	8.4
121.10177	3.3
123.11723	1.1
128.06230	1.2
129.06993	2.2
130.07803	8.9
131.08569	3.8
132.09383	0.9
133.10155	4.3
135.11635	1.2
142.07813	1.1
143.08592	2.9
144.09378	0.8
145.10124	85.4
147.11688	88.6
149.09683	0.6
155.08524	1.3
156.09360	0.9
157.10114	2.9
158.10823	0.9
159.11705	3.4
161.13188	0.9
163.11189	33.4
169.10179	1.3
170.10931	2.0
171.11707	5.0
173.13268	3.3
175.11172	0.7
181.10164	0.9
183.11716	1.3
185.13280	6.7
186.01657	0.7
187.14899	1.5
197.13292	1.8
199.14818	1.4
209.13281	0.7
211.14844	1.0
212.15599	1.1
213.16386	0.8
221.13193	0.8
227.17990	1.5
235.14778	1.3
250.17342	1.4
255.17213	0.8
255.21103	1.4
265.19556	3.4
283.20523	1.6
286.04663	2.1
301.03873	0.8
301.07010	3.1
301.21619	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05507	2.3
57.03430	4.4
57.07066	1.8
67.05511	11.7
69.07069	2.2
70.02862	2.0
70.03198	7.4
71.04990	9.9
79.05496	7.5
81.07067	15.9
85.06528	2.3
91.05478	9.3
93.07054	8.3
95.08627	3.3
98.20853	1.8
105.07035	16.3
107.08622	6.8
109.10143	2.3
115.05501	1.9
117.07040	5.4
117.91831	1.7
119.08604	8.0
121.06524	1.6
121.10162	4.5
123.11703	1.8
125.72472	1.9
126.53930	1.6
129.06998	2.3
130.07755	9.7
131.08600	5.2
133.10153	11.6
135.11833	1.8
143.08630	2.7
145.10129	91.3
147.11691	100.0
149.13303	3.5
151.11223	4.0
151.64806	1.6
157.10153	2.3
159.11734	4.9
163.11200	42.2
163.12515	2.7
170.10934	2.5
171.11745	5.4
173.13313	3.6
183.13873	3.2
185.13336	6.0
187.13332	2.5
187.14842	2.0
211.14940	1.9
250.17245	2.2
257.17487	2.1
265.19662	4.5
286.04834	5.7
301.07080	8.2
301.21716	99.9
311.62296	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2162
Annotation	(+)-Cedronellone
Peak:m/z	Relative Intensity
55.05501	3.5
56.96552	1.5
57.07083	5.1
62.93322	0.7
65.03947	0.9
67.05509	4.9
69.07067	2.8
70.06595	5.5
71.05015	1.5
71.08625	1.0
71.30701	1.8
71.62218	0.8
72.05142	0.8
79.05485	3.4
81.07052	5.4
83.05015	0.9
83.08604	1.4
85.02901	0.8
88.07635	7.4
91.05493	7.4
93.07062	5.4
95.04983	1.5
95.08600	5.9
97.06540	1.2
102.09184	2.5
105.07043	15.2
106.08675	2.6
107.08603	6.8
109.06516	4.3
109.10172	4.6
111.08076	1.4
115.05467	1.4
117.07043	6.1
119.08593	14.1
121.06538	1.5
121.10159	6.5
123.08060	0.9
128.06213	2.4
129.07001	3.0
130.07803	9.1
131.08585	9.8
132.09445	1.1
133.10130	8.8
135.08066	3.5
135.11659	1.3
142.07764	1.3
143.08600	4.3
144.09384	1.0
145.10130	76.5
146.07347	1.2
147.11696	88.5
148.12096	0.9
149.09636	1.6
149.13200	1.2
155.08582	1.0
156.09348	2.2
157.10147	4.9
158.10986	3.2
159.11745	6.2
161.09628	6.5
161.13304	1.4
163.11189	30.0
167.08649	0.9
167.10735	0.8
169.10135	1.8
170.10915	3.0
171.11685	5.8
173.13277	14.9
175.14819	1.3
183.11720	2.4
184.12553	1.2
185.13255	11.7
187.14819	2.6
191.14365	4.4
195.11827	1.3
197.13272	3.0
199.14821	1.5
201.16447	1.2
209.13277	2.3
211.14882	1.5
212.15622	1.9
213.12845	0.9
213.16353	0.9
223.14798	1.1
227.17993	2.3
235.14886	1.9
239.18082	1.1
241.15817	0.9
250.17146	3.2
255.21088	1.3
264.77209	0.9
265.19534	4.4
283.20563	3.3
283.28146	2.2
284.29559	3.5
286.04736	2.4
301.03687	1.4
301.06778	3.9
301.21661	100.0
302.22098	1.8
302.30563	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.2899
Annotation	Sphingosine
Peak:m/z	Relative Intensity
50.42743	1.7
55.05511	18.4
56.05024	3.4
56.96552	5.7
57.03438	3.8
57.07084	8.6
57.07330	1.5
58.06609	14.9
59.04967	1.7
67.05508	39.3
69.07074	23.8
70.06602	8.8
70.89468	5.6
71.08617	3.9
74.06076	5.9
79.05478	11.0
81.06636	2.3
81.07063	32.3
82.06579	2.7
83.08618	15.3
84.08134	3.3
85.06546	2.1
88.07578	1.9
91.05457	1.7
93.07049	8.1
95.08036	2.6
95.08613	40.5
96.08116	4.6
97.10170	6.7
105.07034	2.1
107.08573	7.1
109.10171	13.2
110.61195	1.6
111.11694	2.2
121.10143	3.5
123.11710	6.4
124.11237	3.5
125.13297	2.1
134.07867	1.5
135.05154	1.7
135.11684	3.4
138.05479	3.0
145.55861	2.0
149.13274	2.8
171.07487	1.9
239.13721	2.8
247.24284	2.3
249.65047	1.8
256.26456	8.4
259.14804	1.7
264.26886	42.3
282.27899	22.5
300.09744	2.0
300.20370	4.1
300.28989	100.0
301.07166	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	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
50.14327	0.2
55.05490	0.3
56.05019	0.3
57.03395	0.2
58.92258	0.2
67.05469	0.7
69.03390	0.3
69.07047	0.3
73.69279	0.2
79.05456	0.3
81.07024	0.6
83.08591	0.3
91.05473	1.1
93.06993	0.7
95.08542	0.7
96.02261	0.2
96.22096	0.3
98.20685	0.5
98.97556	0.5
105.06995	0.4
107.08544	0.6
109.10162	0.6
111.08073	0.3
111.34458	0.2
117.06929	0.3
119.04908	0.5
119.08548	0.4
121.06479	0.3
121.10098	0.5
133.10109	0.7
143.08487	0.3
145.06526	0.2
145.10068	0.5
147.08023	0.3
147.11652	0.3
149.05943	0.5
152.06194	0.7
153.01843	1.5
153.06946	1.4
155.08562	0.3
157.10161	0.2
161.09628	0.3
165.06973	1.0
168.05603	0.3
171.11589	0.3
178.02461	0.3
181.06476	1.1
182.07217	0.3
183.08090	0.3
184.05205	0.2
185.13225	0.3
185.25139	0.2
187.07527	0.4
195.08011	0.5
197.05962	0.4
198.06758	1.0
208.05133	0.2
209.06078	0.5
211.07391	0.5
213.05447	0.3
213.09056	0.7
223.07581	0.3
226.06200	0.7
227.06891	0.3
229.04961	2.5
240.95523	0.3
241.08553	1.4
251.07098	0.4
257.04462	0.9
258.05237	42.5
259.05679	0.7
269.04666	0.3
269.08017	0.4
283.20471	0.3
286.04715	56.3
287.05066	1.1
301.07077	100.0
301.10477	6.1
301.21622	1.1
302.07370	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.1
56.05018	2.6
56.96541	1.4
57.03423	2.9
69.03412	3.5
70.06569	3.2
71.30239	2.0
73.54359	1.0
79.05506	2.0
81.03408	1.8
82.06503	1.7
85.02893	5.8
91.05465	2.7
97.02875	3.4
97.08884	3.1
98.97580	2.5
99.04456	1.4
105.06997	4.2
107.08563	2.1
110.05996	1.3
110.09641	2.4
116.98551	1.2
117.06982	1.9
117.59335	1.0
119.01736	1.0
119.08548	3.5
120.08101	6.6
121.06487	3.5
122.09695	1.3
123.04324	1.1
124.11208	11.9
127.03886	3.0
128.06190	1.2
131.08519	2.4
133.06500	2.4
133.10109	2.2
135.08025	1.4
136.11113	1.0
138.04420	2.3
138.05496	46.1
138.09113	9.7
140.10649	3.2
141.10971	2.1
145.04900	1.4
145.06465	2.5
145.10085	2.0
146.09642	1.1
147.07996	4.1
148.11223	5.3
148.99908	1.2
149.05925	1.5
149.09636	3.4
152.10704	2.8
158.09659	2.5
159.08031	2.5
160.11197	6.9
161.05884	2.1
161.09575	3.2
162.09143	1.5
163.07550	2.1
164.10658	3.9
166.12196	2.4
170.05118	1.3
172.11177	2.0
173.09561	2.9
174.09189	8.9
175.07471	3.0
175.11198	1.9
176.10695	5.5
177.09137	2.1
179.07118	1.5
181.04694	1.0
187.07445	1.5
188.10640	3.1
189.05450	6.0
189.09087	4.5
190.08604	3.0
190.12204	2.0
191.07063	2.7
193.08528	3.8
194.11781	5.6
199.07491	2.0
200.10684	1.3
201.09070	4.3
202.12183	2.7
203.07037	13.1
203.10895	2.2
204.10222	7.4
205.08624	8.8
216.10156	4.1
217.08606	12.8
218.11725	3.2
219.01820	1.4
219.06796	2.0
219.10246	1.8
222.11288	10.0
228.10158	1.6
229.08694	2.1
229.53468	1.2
234.11189	4.0
235.09628	2.2
240.12334	7.0
246.11269	6.1
247.09615	3.8
249.09875	1.2
264.12317	18.3
265.10608	2.5
282.13361	100.0
282.22531	4.1
300.10687	10.8
300.14352	69.4
300.23480	4.4
301.14713	1.1
305.99380	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.0
55.05507	0.7
59.84969	0.4
67.05503	0.6
69.03423	0.7
70.06577	0.6
71.27415	0.8
79.05482	0.5
82.06577	1.3
84.08132	1.1
85.02919	0.5
94.06582	2.7
95.05019	0.5
96.08163	0.8
97.08909	1.0
98.09695	2.3
100.11253	0.6
101.66948	0.4
108.08116	1.7
109.06470	0.6
119.08530	0.5
120.97385	0.5
121.08913	0.5
122.06030	1.9
122.09679	1.2
124.07616	1.4
124.11227	100.0
125.11531	0.6
134.09650	1.1
136.07619	2.4
136.11211	8.5
138.05577	0.6
140.07085	0.9
149.08348	1.0
150.09140	1.6
152.10704	16.1
154.12280	1.0
156.13759	0.5
163.10007	0.5
164.07072	4.4
164.10713	49.9
166.08621	2.1
166.12323	0.9
176.10626	3.4
180.10225	4.6
181.10986	1.1
182.11768	27.7
188.10706	0.5
190.08710	0.7
190.12274	2.0
192.10205	1.9
194.11728	1.1
204.10222	1.9
210.11186	0.6
212.12857	2.3
218.11838	3.0
220.09660	1.2
222.07605	2.6
222.11273	0.8
227.25285	0.5
236.12819	1.9
240.08667	0.9
240.12352	1.1
246.11270	3.1
249.09959	5.5
254.13873	2.5
264.12305	41.1
265.12723	0.9
272.14883	0.8
282.13367	26.1
285.07617	1.9
300.14435	34.6
301.03409	1.1
301.64716	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.6
55.05504	0.7
57.03427	0.6
69.03449	0.5
70.06600	0.5
71.53260	0.8
75.00703	0.4
79.05470	0.8
82.06599	2.4
85.02904	1.0
94.06570	0.6
95.59581	0.4
96.08125	1.3
97.08929	2.1
98.09702	2.1
108.08124	0.9
110.09682	0.9
120.08093	0.5
122.09683	1.0
124.11234	100.0
127.07505	0.5
130.89354	0.5
134.09589	0.6
136.07587	1.0
136.11195	1.2
137.05975	0.6
138.09125	1.5
140.07030	0.6
148.11171	0.6
149.08299	0.9
150.09155	1.8
151.09898	0.5
152.10716	31.5
162.09186	0.8
163.09868	0.7
164.07059	4.0
164.10727	24.0
166.08659	1.4
166.12277	1.6
168.77037	0.4
175.39377	0.4
176.10724	6.2
178.08667	0.6
178.12309	0.6
180.10226	4.1
181.10956	1.4
182.11823	3.2
183.02646	0.4
184.13359	0.9
190.08563	0.7
190.12317	1.3
192.10229	1.7
194.11774	2.8
204.10190	6.2
210.11322	0.7
212.12799	4.2
218.11815	3.2
220.09711	0.9
222.07587	2.5
222.11246	2.5
236.12767	1.5
240.08586	1.6
240.12317	6.4
246.11295	2.0
249.09921	1.5
254.13908	2.4
264.12314	27.7
265.12891	0.6
272.14972	0.9
282.13376	30.7
283.13770	0.6
300.14423	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	300.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05038	2.6
59.37297	0.4
64.50356	0.4
67.05473	0.3
67.06138	0.3
68.05006	0.4
69.03425	0.5
70.12666	1.5
77.52222	0.3
79.05513	0.4
80.47298	0.3
81.07048	1.0
82.06579	0.8
84.08128	1.0
88.23602	0.3
96.08120	1.5
97.08332	0.6
97.08910	6.8
98.09691	3.0
101.63447	0.3
109.33694	0.3
110.09675	3.9
124.11226	31.8
125.12007	1.4
131.62910	0.3
137.09627	0.4
148.11215	0.8
150.09082	0.4
150.62315	0.4
152.10692	3.9
154.12230	0.5
164.10675	0.5
166.12291	3.7
176.10710	1.4
177.09129	0.3
182.11821	0.4
194.11754	11.1
194.13486	0.7
212.12788	2.7
222.11226	1.4
236.12778	0.4
240.12303	19.1
272.14905	0.7
282.13336	1.8
300.14407	100.0
301.14896	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.4
55.05519	0.5
56.36859	0.4
57.03438	0.5
58.84135	0.4
69.03423	0.9
69.86333	0.5
69.86749	1.5
70.06590	0.5
79.05491	0.5
81.07037	0.4
82.06571	2.1
82.83113	0.4
83.54529	0.4
85.02901	0.4
92.76464	0.4
94.06570	0.9
95.04936	0.5
96.08121	1.0
97.08913	1.8
98.09702	1.8
98.20830	0.7
100.25842	0.4
108.08080	0.5
110.09684	0.9
122.09642	0.6
124.11235	100.0
125.11587	0.6
134.09694	0.8
136.07588	1.2
136.11214	1.3
137.05966	0.5
138.09131	1.2
140.07109	0.7
148.11220	0.9
149.08458	0.4
150.09161	2.0
151.09956	0.9
152.10713	27.1
153.18039	0.4
157.41943	0.4
161.09607	0.6
162.09192	0.6
164.07083	3.8
164.10721	22.1
165.31427	0.4
166.08658	1.8
166.12280	1.7
176.10732	5.0
180.10214	3.9
181.11031	0.8
182.11737	2.5
190.08665	1.0
190.12360	1.4
192.10197	1.7
194.11754	2.7
197.01968	0.4
204.10199	5.6
206.11757	0.7
210.11314	0.9
212.12875	3.0
218.11720	3.1
220.09705	1.4
220.13605	0.4
221.11839	0.5
222.07713	2.3
222.11246	3.0
236.12836	1.2
240.08669	1.6
240.12318	6.7
246.11227	2.2
249.09985	1.8
254.13933	3.4
264.12326	26.2
272.15018	1.1
282.13382	33.0
283.13531	0.4
300.14432	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	300.1079
Annotation	anthraniloyl-O-glucose
Peak:m/z	Relative Intensity
50.54829	0.2
52.01684	0.2
65.03957	0.2
69.70373	1.1
85.02906	0.4
92.05032	1.5
94.06577	3.2
94.31222	0.2
96.04511	0.5
98.20778	0.4
110.06048	1.6
138.05511	100.0
139.05812	0.4
197.58649	0.2
198.34239	0.2
281.21219	0.2
288.63782	0.2
300.10791	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	300.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03717	0.5
53.31900	0.4
54.06822	0.5
55.01886	0.5
56.05021	1.5
58.38294	0.4
68.06724	0.4
69.03419	1.9
70.06577	0.5
70.96252	0.8
70.96582	0.7
76.89015	0.4
79.05480	0.5
81.03354	0.5
81.07063	0.6
82.06560	1.4
84.08121	1.0
85.02905	3.2
88.06992	0.4
91.05483	0.8
92.05007	0.7
94.06548	1.9
95.04929	0.8
96.08128	1.4
97.02885	2.2
97.08908	7.3
97.13815	0.5
97.40685	0.5
98.09692	2.4
107.08584	0.5
109.30762	0.4
110.06020	1.2
110.09679	4.0
120.02488	0.5
120.08102	0.9
124.07626	0.8
124.11233	32.2
125.12048	0.5
127.03922	2.4
129.03094	0.5
138.05502	51.2
139.05809	0.5
147.08054	0.9
148.11205	1.0
149.09653	0.6
152.10698	3.1
160.11238	0.6
161.05865	0.7
161.09612	0.5
164.10614	0.5
166.12254	5.0
167.01889	0.9
175.07565	0.5
176.10687	1.5
185.02966	3.3
192.10193	0.5
194.11775	11.2
198.98550	1.0
203.00523	0.5
203.07004	0.8
203.10718	0.6
204.10181	1.8
205.08635	1.3
212.12816	3.0
216.10242	0.5
217.08493	1.3
222.11201	2.1
229.08723	0.5
234.11292	0.6
240.12300	20.4
246.11099	0.7
257.69672	0.5
264.12250	1.8
272.14923	1.1
273.15686	0.4
275.04004	0.9
282.13385	7.6
293.05029	1.1
300.10837	12.6
300.14374	100.0
301.14801	1.1
311.05966	2.0
311.09506	0.5
312.06192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0972
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
61.01154	4.1
63.34345	0.2
67.05492	0.3
69.03416	0.9
70.06583	0.2
73.51410	0.2
75.02699	2.4
81.03412	1.6
81.07063	0.3
82.03738	0.5
82.06588	0.4
83.01349	0.2
84.08131	0.3
85.02898	0.3
94.04058	0.3
95.04971	0.2
95.50351	0.2
96.04523	0.2
97.02905	2.2
101.02427	0.2
103.02177	0.3
109.02876	0.7
110.03226	0.6
113.02346	0.3
119.03518	1.0
125.02364	0.2
127.03924	0.2
136.06187	100.0
137.04607	0.5
137.06606	0.4
138.05479	0.8
140.10703	0.5
140.12518	0.2
143.03348	0.2
145.03181	1.0
152.07098	0.3
153.01833	2.1
154.02159	2.3
163.04230	1.2
170.54224	0.2
196.36528	0.2
206.04472	0.2
208.11360	0.2
238.26720	0.2
266.11826	0.4
280.08243	0.9
280.11456	0.4
283.56949	0.2
287.46490	0.2
298.06415	1.4
298.09674	2.7
298.12689	0.3
298.22382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44615	0.7
53.03948	1.9
54.24998	0.7
55.01873	1.0
57.03441	1.0
61.02946	0.9
65.03947	1.6
67.05499	0.9
69.03427	7.3
69.33459	1.5
69.33872	4.6
71.01350	0.7
71.05014	1.0
81.03417	19.0
81.07064	1.4
85.02910	4.8
85.06554	0.6
91.05486	1.2
93.03419	1.7
93.07076	0.8
95.08613	0.8
97.02913	3.2
99.04467	2.3
109.02890	7.3
109.10176	1.0
111.04418	4.5
114.77631	0.6
125.02382	1.0
126.01090	1.6
127.03922	4.6
137.02348	100.0
137.03407	7.0
137.05756	10.6
140.10716	2.1
146.06010	0.8
153.01822	1.4
155.03354	4.2
175.07552	0.6
185.04216	38.1
281.06567	9.5
281.22232	1.7
299.10965	35.8
299.23206	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.0
53.03952	6.5
55.01864	0.6
55.05494	0.5
56.22607	0.3
56.96547	0.4
67.05511	0.7
69.03431	9.2
69.07084	0.4
69.65924	2.2
71.04998	1.7
79.01855	5.4
79.05489	0.6
79.07898	0.3
81.03420	44.8
81.07059	0.5
85.02898	1.6
91.05501	0.3
93.07055	0.6
95.04990	0.4
95.08611	0.5
97.02892	6.6
98.97609	0.5
99.04463	3.0
103.05478	0.4
105.07073	0.4
107.01326	2.1
107.04986	0.3
107.08588	0.4
109.02881	18.1
116.98581	0.5
121.06583	0.4
121.10203	0.4
122.74419	0.3
123.00799	0.5
123.08060	0.4
125.02347	5.0
125.09634	0.5
127.03925	7.4
131.04950	0.7
135.04425	1.1
135.08110	0.4
137.05994	0.4
143.03400	7.5
147.04417	1.1
153.01834	100.0
153.02878	5.4
159.04443	0.5
159.11752	0.3
163.03958	0.4
171.02898	4.3
177.05508	0.5
179.03447	0.5
181.01331	0.9
191.03516	0.4
194.07285	0.4
195.02991	0.4
205.04985	0.8
207.02904	0.6
207.15350	0.4
219.03049	0.3
222.06715	0.6
233.04407	0.6
237.03934	0.4
237.09146	0.8
261.03983	0.4
265.08572	1.2
297.06061	26.8
297.10883	2.3
297.19080	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.279
Annotation	17-Methyl-6Z-octadecenoic acid
Peak:m/z	Relative Intensity
50.05688	0.5
53.03941	1.3
55.01865	0.9
55.05513	18.9
57.03430	1.1
57.07078	7.4
59.05011	4.9
67.05505	9.8
69.03435	2.3
69.07069	100.0
69.36901	5.0
71.05000	1.9
71.08621	2.5
72.31370	0.6
73.06625	0.5
73.91691	0.5
75.77544	0.5
78.88615	0.5
79.01857	0.9
79.05482	3.5
81.03423	5.0
81.07059	24.2
83.04983	0.9
83.08618	21.0
85.02873	0.6
85.06550	3.9
85.10181	1.4
91.05489	2.8
93.07050	11.5
93.15644	0.5
95.04976	0.7
95.08607	24.6
97.06532	4.7
97.10177	5.2
98.97605	1.7
99.04438	0.7
99.08087	2.9
105.07040	2.1
107.08591	10.2
109.02894	1.5
109.10156	16.5
109.39274	0.6
111.08090	3.5
111.11723	14.2
113.09663	1.0
119.08590	1.4
121.10140	8.6
123.11702	8.0
125.02376	0.7
125.09663	0.7
125.13299	1.0
127.03883	0.9
127.11192	1.4
129.12743	0.8
133.10155	1.1
135.08104	0.8
135.11705	5.9
137.13261	4.4
139.11180	6.7
149.13258	7.5
151.14836	2.3
153.01817	9.5
153.02942	0.9
153.12820	0.7
155.08672	0.6
159.08115	0.6
161.09665	0.7
163.14842	1.5
165.07101	0.5
165.16405	1.2
167.14337	3.5
177.16302	1.2
179.17924	0.7
181.10078	0.6
191.17950	1.6
195.17375	0.9
205.19572	2.1
209.19025	2.5
222.06613	0.9
237.09001	1.4
254.95825	0.5
261.25848	3.0
265.08646	1.5
269.11755	0.6
279.26804	8.2
297.06229	2.2
297.11111	4.1
297.18515	1.6
297.27890	37.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.7
53.03951	5.9
67.84771	0.4
67.86803	0.4
69.03427	7.6
69.33595	3.2
69.33997	0.6
71.04984	0.5
79.01856	5.1
81.03421	37.6
85.02898	0.6
91.05486	1.0
97.02897	7.2
99.04458	2.8
107.01341	2.0
109.02882	15.2
125.02343	4.6
127.03932	6.0
135.04440	0.7
143.03384	6.4
153.01836	100.0
153.02898	5.8
154.02190	0.5
159.04433	0.6
162.43399	0.4
171.02899	3.8
181.01358	0.8
205.04932	1.0
249.04137	0.4
278.33673	0.5
297.06046	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	297.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64894	0.3
51.02380	1.1
53.03949	5.7
53.18296	0.3
55.01875	0.8
55.05521	0.6
56.96563	1.4
57.03429	0.4
61.02948	0.4
67.05500	0.7
69.03430	10.1
69.07064	0.6
69.80250	1.1
69.80664	0.6
71.04996	2.0
72.29710	0.3
79.01856	5.3
79.05510	0.8
81.03419	49.8
81.07046	1.4
83.04989	0.7
84.96005	0.3
85.02911	1.9
85.06541	0.4
87.04480	0.4
88.46984	0.3
91.05494	1.1
93.07066	0.7
95.04962	0.5
95.08631	1.1
97.02895	7.4
97.06512	0.4
98.97568	2.4
99.04449	3.1
99.97919	0.3
103.05457	0.6
105.07035	1.0
107.01330	2.0
107.04942	0.7
107.08604	0.9
109.02888	16.7
109.06537	0.9
110.97563	0.3
111.04420	0.5
112.52030	0.3
116.98653	0.8
117.07024	0.6
119.04999	0.4
119.08561	0.6
121.06576	0.4
121.10136	0.6
121.11557	0.3
123.00909	0.3
123.04430	0.4
123.08035	0.5
123.11697	0.4
125.02357	4.2
125.09637	0.3
127.03913	6.4
128.98611	0.5
129.07068	0.3
131.08592	0.5
133.06494	0.4
133.10094	0.4
135.04390	1.5
137.06030	1.0
143.03404	8.1
145.06558	0.5
146.99625	0.5
147.11790	0.3
149.06046	0.4
151.07558	0.7
153.01834	100.0
153.02895	5.6
154.02144	0.5
159.04399	0.6
161.06116	0.4
163.03931	0.6
167.07027	2.5
168.07399	0.5
170.02109	0.4
171.02890	4.7
172.04012	0.4
173.13416	0.3
177.05482	0.4
181.01323	1.0
184.03815	0.4
190.09500	0.4
191.03348	0.4
193.04633	0.5
194.07170	0.6
205.04851	0.4
207.02910	0.8
219.08098	0.4
233.04453	0.5
237.09079	1.1
247.07588	0.4
264.99695	0.4
265.08551	1.2
266.09457	0.5
279.05118	0.4
297.06070	25.5
297.10916	2.3
299.06226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01596	0.3
51.02396	0.6
53.03948	6.8
55.01888	0.5
57.07055	0.3
61.65122	0.2
63.44329	0.3
67.05523	0.4
69.03432	11.9
69.58487	2.2
71.04997	1.8
74.85811	0.3
77.99919	0.3
79.01852	5.9
79.05504	0.4
81.03418	66.7
81.07052	0.7
83.04984	0.4
85.02901	1.2
95.08628	0.3
97.02897	5.7
98.20788	0.7
98.97555	0.3
99.04460	3.2
107.01315	2.0
107.08569	0.6
109.02882	24.4
109.10190	0.4
115.37719	0.3
125.02364	4.1
127.03920	6.5
131.04973	0.4
133.10161	0.3
135.04390	0.4
139.77052	0.3
143.03416	6.7
147.04398	0.5
153.01833	100.0
153.02875	5.5
154.02187	0.7
170.02176	0.6
171.02895	4.7
173.50327	0.3
175.03967	0.3
181.01338	0.4
191.03438	0.3
207.02953	0.4
222.06769	0.3
265.08630	0.9
297.06049	39.5
297.11469	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03957	7.0
55.01861	18.7
55.05514	38.1
56.96556	17.1
57.03433	13.4
57.07067	6.9
67.05505	55.8
69.03429	59.7
69.06768	4.4
69.07076	48.1
71.04979	20.0
71.08623	11.1
74.89058	3.9
75.33253	3.9
79.05493	45.3
81.03410	22.3
81.07057	89.5
83.04981	34.8
83.08626	25.8
85.02904	24.9
85.06544	28.4
87.04459	12.5
91.05481	50.2
92.75182	4.5
93.07048	86.9
95.04986	22.2
95.08606	100.0
97.02892	23.2
97.06532	13.3
97.10172	11.4
98.20712	10.6
98.97572	18.2
99.04440	11.0
99.08098	9.9
103.05462	7.3
105.07031	57.4
107.04957	9.9
107.08598	77.8
109.02845	7.8
109.06504	20.2
109.10152	75.6
111.08072	26.9
113.09663	36.8
115.03896	11.5
116.98637	5.3
117.06985	8.0
119.08595	51.0
121.06516	7.0
121.10153	70.1
123.08066	10.8
123.11703	18.8
125.09644	19.7
127.03919	12.2
131.04895	12.6
131.08575	24.7
133.04922	11.1
133.06476	19.6
133.10112	33.8
135.08012	6.5
135.11687	38.9
137.09619	15.8
139.11165	10.8
141.06999	5.1
143.08548	16.0
145.04967	7.0
145.10114	46.4
147.04453	6.6
147.11723	30.9
149.09662	14.8
149.13252	19.6
151.07568	5.6
151.11209	22.9
153.12720	6.2
157.10103	10.6
159.11700	27.2
161.09508	7.0
161.13257	20.8
162.75063	4.3
163.11157	12.7
163.14827	6.3
165.06944	5.0
165.12769	12.8
167.10748	32.7
171.11705	14.6
173.13214	17.1
174.89468	4.8
175.14836	16.0
185.13271	17.3
189.12767	5.4
189.16408	7.0
195.13818	9.5
197.05862	6.7
199.14633	5.8
201.16347	29.4
203.14294	10.3
203.18018	5.2
207.08006	10.0
216.54640	4.8
217.19431	5.1
234.89690	4.6
241.19484	21.0
247.20587	6.3
259.20599	40.1
263.06839	5.8
265.08597	8.6
265.21652	12.6
277.21631	79.3
295.09689	36.8
295.15662	6.1
295.19598	7.2
295.22723	55.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59828	0.5
53.03917	0.5
54.43712	0.5
55.05484	0.5
56.96532	1.1
57.03383	0.6
62.75634	0.5
67.05478	0.8
69.03394	1.2
69.07029	0.9
71.61700	1.0
79.01821	0.6
79.05452	1.4
81.03399	3.1
81.07011	1.5
84.04474	0.8
84.08089	0.6
91.05423	1.2
93.07024	0.6
95.08578	0.9
97.02847	0.8
98.97531	1.3
105.06969	0.9
107.08555	1.0
109.02821	1.1
110.05998	0.5
119.08585	0.6
123.08043	0.8
124.07515	1.6
125.09558	0.6
127.03798	0.7
129.12376	0.6
133.10057	0.5
135.82378	0.6
139.03868	0.7
141.01015	7.3
145.29240	0.5
147.04343	0.9
148.04675	1.1
152.07077	2.8
153.01839	6.2
162.50433	0.6
178.07735	1.2
179.08533	3.3
180.08733	0.6
185.95279	0.7
189.06931	1.8
190.07738	2.1
191.08543	4.4
192.09409	1.0
193.06407	0.8
193.10149	1.0
195.07941	0.7
195.47348	0.5
202.07742	1.6
203.08537	3.4
205.06567	0.7
205.10118	2.5
206.07227	1.0
207.08035	6.3
212.91592	0.5
215.08633	0.8
217.06371	1.2
218.07323	4.2
219.08072	8.7
219.10143	1.0
220.08636	0.7
221.06020	5.0
221.09509	4.4
222.06644	0.7
222.10307	1.5
227.04639	0.7
232.08957	0.8
233.09621	4.5
234.10399	30.5
235.07545	31.0
235.10933	1.0
236.08273	5.0
237.09036	1.8
238.09961	0.9
249.09148	2.8
250.09892	50.7
251.10304	0.8
265.12234	100.0
266.12482	1.7
296.07825	1.2
296.16455	27.6
297.05887	0.7
297.16959	0.6
300.15005	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03948	29.1
55.01865	12.7
55.05514	39.3
56.96557	14.3
57.03417	3.4
57.07068	11.9
61.69169	3.1
65.03953	4.8
67.05505	84.9
69.03402	3.9
69.07068	56.0
69.35638	34.7
71.04985	6.8
71.08626	7.0
79.05496	51.1
81.02971	5.6
81.03423	100.0
81.03906	5.8
81.07058	82.1
83.04993	22.5
83.08620	15.6
85.10197	3.6
91.05479	32.4
93.07044	62.9
95.04972	56.0
95.08614	36.3
97.06530	7.1
97.10162	13.3
99.08080	11.2
100.02461	4.2
105.07050	33.3
106.68622	3.9
107.07939	5.2
107.08599	43.4
109.06524	12.8
109.10162	32.5
111.08122	3.7
117.07014	7.0
119.08549	21.3
121.10185	17.2
123.08019	4.5
123.11723	12.6
125.09650	10.7
129.06985	6.3
131.08583	9.3
133.10144	30.0
135.08047	10.1
135.11702	7.9
137.13309	5.9
143.00203	8.0
143.08554	5.9
145.10133	7.6
147.08020	3.6
147.11707	20.2
149.13268	14.6
151.11192	70.2
153.09108	8.9
157.10179	8.3
161.13290	17.3
163.14835	12.8
165.12851	17.3
171.11661	7.3
173.13057	4.6
175.11214	5.6
175.14839	9.9
177.12785	4.0
177.16322	3.9
179.14301	11.6
185.13339	5.8
190.13757	4.1
193.12274	8.3
207.13823	4.2
224.15158	4.9
231.21062	10.9
233.15578	9.2
241.19469	6.3
242.16241	3.8
249.22165	7.0
251.16676	6.1
255.15144	5.3
256.90793	3.8
259.20740	7.6
262.67590	5.4
264.15573	5.6
273.16171	7.3
274.19046	4.3
277.21637	99.5
278.66257	3.5
295.20435	7.4
295.24173	13.7
317.84213	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.129
Annotation	gamma-GLU-PHE
Peak:m/z	Relative Intensity
55.01879	0.4
56.05025	1.0
56.96564	0.4
57.03438	6.5
58.06602	16.3
67.05492	0.7
68.27599	0.4
69.03428	0.8
70.06583	1.5
70.62855	0.4
70.73235	1.2
73.02924	0.5
74.02020	0.6
74.02441	8.2
79.05491	1.1
81.03406	0.5
81.07050	0.8
84.04511	2.9
84.08138	1.5
85.02881	0.6
85.63212	0.4
86.09658	0.7
91.05473	1.2
93.07053	1.7
95.04948	0.6
97.02852	0.5
98.20795	0.5
98.97578	1.7
102.05552	5.5
103.05476	5.7
105.07017	0.9
107.04971	2.3
107.08572	0.4
109.06517	0.4
116.98640	0.8
119.08603	0.4
120.08110	100.0
121.08430	0.4
130.05005	0.9
130.06506	2.8
131.04918	2.9
131.08536	0.4
133.10109	0.4
143.08598	0.4
146.06055	1.2
149.05983	1.7
149.09651	0.5
150.06546	0.8
150.07758	14.7
150.08920	0.8
158.09660	1.3
158.99701	0.5
160.11238	1.7
161.10776	0.5
166.08646	30.7
176.07104	0.9
184.09927	0.4
203.11790	2.8
221.03470	1.1
227.11803	0.7
231.11298	1.1
232.09758	1.5
237.16669	0.6
245.12871	0.8
249.03006	0.8
249.12360	20.3
259.10709	0.4
267.67154	0.4
277.03638	0.4
277.12030	0.8
277.15500	1.3
277.19171	0.6
295.03696	0.6
295.12903	6.2
295.16537	3.8
295.20517	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.02370	0.2
56.96547	0.2
57.07067	0.9
67.05503	0.8
74.06116	0.2
79.05485	0.7
81.07067	2.0
91.05483	0.6
93.07004	0.3
94.04196	2.6
95.04975	0.2
95.23959	0.2
98.32306	0.2
99.55134	0.2
107.04972	0.2
109.06537	0.9
113.28793	0.2
122.03660	7.5
122.04556	0.4
123.11727	1.4
137.05984	100.0
138.06335	0.7
139.11052	0.3
158.15384	1.4
162.31607	0.2
170.15453	2.2
238.11508	0.5
258.51105	0.3
294.20905	0.5
307.75064	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.4
56.96572	4.1
57.07067	1.1
67.05492	0.5
71.08617	1.2
79.05502	0.9
81.07051	1.1
85.34002	0.3
88.07623	0.3
91.05502	0.4
93.07046	0.5
94.04194	2.4
95.08633	0.6
98.21491	1.0
107.04973	0.6
122.03656	6.6
137.05981	100.0
138.06323	0.4
140.79733	0.3
141.12779	2.1
145.31703	0.3
157.55246	0.3
158.15413	1.2
170.15578	0.3
197.62833	0.3
233.15492	0.3
234.36433	0.3
242.16124	0.5
251.16563	0.7
294.20581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	0.2
57.04559	0.8
66.93964	0.1
67.05492	0.2
69.03428	0.2
69.07037	0.3
70.06599	0.7
70.16783	0.7
75.64175	0.1
79.05481	0.2
81.07021	0.2
82.04099	0.2
84.04494	0.3
84.08143	0.5
85.02903	0.2
86.09697	0.4
88.11759	0.2
91.05533	0.1
93.07047	0.2
94.04059	2.9
95.08610	0.3
96.05608	0.5
98.97515	0.2
105.07003	0.3
106.04016	0.2
108.04335	0.2
109.05120	0.2
112.05108	0.4
114.91565	0.2
116.07095	0.5
116.98671	0.2
119.03539	0.2
120.08082	0.4
121.05132	0.2
121.06520	0.2
123.06701	2.1
131.04948	0.2
133.02826	0.2
133.05074	0.9
135.04405	0.1
135.05383	0.3
137.04558	0.2
147.04543	0.2
147.08015	0.2
148.06186	0.4
150.07756	100.0
151.03989	0.2
151.08145	0.3
153.01862	0.5
175.12283	0.2
176.05708	0.7
179.03404	0.4
207.02950	0.4
212.73630	0.2
235.02344	1.0
237.16980	0.2
251.09076	0.2
263.13907	0.2
277.03519	0.4
295.04547	1.7
295.07941	0.3
295.11426	2.8
295.16580	0.6
295.20627	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	0.6
56.05030	2.4
60.42168	0.4
65.03933	0.5
67.05501	2.2
68.05032	0.5
69.07056	0.5
70.06599	2.2
71.36163	0.8
77.00616	0.5
79.05444	0.4
81.07038	0.9
84.08144	100.0
85.08469	0.8
86.09706	0.7
87.24599	0.4
91.05475	0.5
96.08099	0.6
98.09689	5.7
98.97588	0.7
105.00085	0.9
105.07032	0.4
107.04998	0.4
109.10214	0.6
110.06089	0.4
120.08121	0.5
124.11270	2.6
126.12794	45.5
131.05031	0.7
131.08620	0.4
133.10190	0.5
134.45160	0.4
135.93958	0.4
138.12791	0.4
142.12274	17.6
142.13405	0.9
144.13916	0.6
145.10231	0.4
147.04413	0.8
149.02235	0.4
150.55476	0.4
153.01826	0.7
159.04456	0.6
163.03931	0.8
164.04247	1.0
167.03439	0.7
178.02193	0.6
178.50107	0.4
179.03452	0.5
181.01399	0.6
185.14110	14.7
191.03334	0.9
192.03734	2.8
192.13832	1.0
196.40927	0.4
198.63347	0.4
203.03401	0.9
205.04956	1.5
206.01588	0.7
207.02916	2.7
217.13100	12.2
218.15288	0.8
219.02823	1.1
220.03217	5.3
230.12056	2.8
231.02911	4.0
231.12842	0.7
236.16454	7.4
248.02669	2.5
248.09198	0.5
249.03940	2.0
276.02142	0.5
276.11063	0.6
276.14114	0.6
276.19543	0.5
277.03482	0.8
294.03329	3.4
294.11920	39.7
294.20618	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03936	1.1
55.05515	20.9
56.96560	1.3
57.03442	1.2
57.07079	10.2
60.82562	0.7
61.36300	0.7
65.03943	1.3
67.05504	31.1
69.03421	1.4
69.07069	41.3
69.40536	7.5
70.98167	1.0
71.04973	1.0
71.08628	3.9
77.91152	1.0
78.02548	0.9
79.05502	11.5
81.03419	1.0
81.07058	100.0
83.04997	1.2
83.08623	21.3
85.06120	1.1
85.06555	10.2
85.10163	1.4
91.05486	3.1
93.07053	12.5
95.04960	0.9
95.08607	90.7
97.06550	1.5
97.10166	11.4
98.97582	7.0
99.08091	5.7
103.05457	3.5
105.07003	2.1
107.08595	15.4
109.10155	54.3
111.08076	2.8
111.11729	7.1
113.09651	2.0
116.98612	2.3
119.08638	0.9
121.10166	8.7
123.11713	27.7
123.99334	0.9
125.09637	2.1
125.13291	2.0
127.11240	1.2
131.04936	11.6
135.11703	7.4
137.13254	19.0
138.07590	0.9
139.45724	0.9
149.09569	1.0
149.13252	9.7
151.14839	8.5
155.47675	0.8
163.14830	3.8
165.16408	3.2
166.67586	0.9
167.14389	2.1
177.16422	2.7
179.17926	2.0
189.06975	1.0
191.17920	1.5
205.19576	2.1
219.21230	1.4
223.20552	1.0
228.08832	0.9
235.07530	1.0
250.06041	0.9
257.19016	1.0
275.06906	1.6
275.20099	1.1
275.27313	4.6
293.03262	2.6
293.08029	1.7
293.28391	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03943	9.8
55.01866	9.9
55.05509	31.7
56.96550	4.7
57.03438	4.5
57.07099	2.5
60.18581	2.3
67.05503	43.7
67.49863	2.6
69.03427	8.5
69.07070	15.5
69.57682	17.3
71.04974	7.3
73.06564	3.4
78.34216	2.2
79.05490	40.3
81.03429	19.6
81.07056	79.9
83.04973	7.6
83.08614	13.0
85.02908	3.6
85.06535	5.2
91.05474	33.7
93.07047	36.5
95.04985	16.4
95.08606	36.1
97.02856	3.2
97.06537	14.8
97.10176	6.7
98.97549	2.3
99.04440	2.9
103.05465	21.2
105.07031	40.1
107.04944	15.2
107.08588	37.9
109.02876	5.3
109.06536	16.8
109.10154	16.4
111.08080	4.9
113.06032	2.8
117.07023	11.7
119.08576	19.8
121.06512	8.7
121.10140	23.7
123.04486	2.7
123.08078	13.3
123.11716	8.6
125.09604	9.2
129.07002	4.9
130.12311	2.4
131.04927	63.6
131.08549	18.6
133.10133	25.6
135.08058	9.8
135.11646	8.7
137.09607	11.0
139.11227	3.6
143.08556	4.6
145.06509	2.3
145.10078	16.8
147.04424	3.0
147.08038	3.3
147.11668	15.8
149.02289	11.6
149.09612	18.9
149.13301	2.8
151.11188	9.4
157.10085	3.3
159.08157	2.3
159.11707	10.8
161.09569	4.8
161.13327	5.4
163.11206	9.6
165.09114	8.1
165.12798	5.3
169.09998	2.8
171.11734	6.4
173.13257	9.8
175.11201	4.3
177.12761	7.8
187.11169	3.3
187.14876	4.6
191.14413	2.7
201.12752	3.1
229.19499	6.3
231.17300	3.4
235.07541	4.7
239.17935	6.9
247.20555	6.4
257.19009	16.6
265.08386	4.5
275.09384	2.5
275.20050	100.0
288.78442	2.4
293.08078	4.0
293.12170	2.4
293.17953	3.8
293.21072	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	293.2839
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03952	3.5
55.01868	3.8
55.05513	27.5
57.03431	2.8
57.07076	16.2
67.05508	35.8
69.03436	12.3
69.07070	56.6
69.48259	2.6
69.48657	9.1
71.04978	3.9
71.08627	5.7
77.03884	1.2
79.05496	17.0
81.03437	7.4
81.07059	100.0
83.04974	8.0
83.08618	30.9
85.02921	6.5
85.03371	1.4
85.06545	14.1
85.10176	2.2
91.05484	9.4
93.07046	30.1
95.04982	3.2
95.08608	86.7
97.02894	1.5
97.06534	5.0
97.10177	16.9
98.97599	2.1
99.04478	1.8
99.08096	8.2
103.04794	1.4
103.05475	31.7
105.07071	6.6
107.08596	36.7
109.02879	2.4
109.06517	5.6
109.10162	55.4
111.08089	9.9
111.11701	8.5
113.09624	3.5
117.06972	1.6
119.04965	1.8
119.08579	9.8
121.06512	3.6
121.10149	20.7
123.08087	5.3
123.10810	2.0
123.11710	40.7
125.09632	6.0
125.13260	4.7
127.03907	2.4
127.07616	1.6
131.04932	87.8
131.08586	3.9
133.10124	6.5
135.08061	7.9
135.11702	13.5
137.09644	5.5
137.12270	2.5
137.13260	29.2
139.11215	2.2
143.08517	2.6
143.10745	1.9
145.10109	2.6
147.04367	1.4
147.11711	3.6
149.02368	9.2
149.05943	1.6
149.09633	3.6
149.13255	23.1
151.11153	2.0
151.14793	5.0
157.10121	2.2
159.11690	2.5
161.09651	1.4
163.11176	2.8
163.14815	7.4
165.16370	2.0
167.10654	8.9
167.14348	9.2
173.13255	2.5
175.14774	1.9
177.16371	2.8
179.08571	4.0
179.17972	2.5
187.11099	1.4
189.06985	1.8
189.12724	1.3
191.14343	1.6
193.12325	1.9
193.19542	2.7
199.14920	1.4
201.12691	1.5
205.01245	1.5
205.19452	1.7
207.08128	9.1
217.06638	1.6
217.15895	1.6
219.13846	4.1
235.07608	7.9
235.17070	1.6
247.02357	1.9
249.05505	1.2
257.19073	2.8
260.30530	1.3
265.08630	20.3
266.09055	1.9
275.09155	2.8
275.20096	8.4
275.27417	4.6
293.08069	11.6
293.13733	1.3
293.21237	7.6
293.28394	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	3.3
54.18710	1.4
55.01867	1.8
55.05510	18.1
55.81286	1.3
56.96562	3.2
57.03424	3.6
57.07060	4.6
59.04990	4.3
67.05508	20.0
69.03427	13.5
69.06267	1.3
69.07069	14.1
70.21046	3.2
70.21439	2.8
71.04999	9.3
73.06565	2.3
79.05498	16.9
81.03421	11.8
81.07063	33.4
83.04980	11.9
83.08590	5.1
85.02902	7.0
85.06533	9.2
91.05486	17.4
93.07044	30.6
95.04984	12.6
95.08615	28.4
97.02903	2.0
97.06533	13.1
97.10164	3.0
98.97575	3.0
99.04437	2.9
101.06010	7.1
103.05467	33.4
105.07035	22.7
107.04942	3.9
107.07937	2.2
107.08596	25.0
109.02882	8.3
109.06509	11.5
109.10160	18.5
111.04432	1.3
111.08062	6.4
113.06032	1.6
113.09637	11.6
114.22617	1.4
116.98668	1.9
117.06991	6.7
119.04932	1.3
119.07890	1.7
119.08588	19.4
119.87395	1.4
121.02853	2.2
121.06520	9.3
121.10140	25.8
123.03628	1.9
123.04437	14.6
123.08091	9.2
123.11687	6.2
123.15363	1.5
125.05941	2.4
125.09615	7.5
127.03891	4.2
127.07552	2.6
127.11193	1.6
129.06993	3.4
131.04935	100.0
131.08580	13.6
133.06479	2.6
133.10132	21.0
135.08069	16.5
135.11697	11.0
137.05913	3.5
137.09621	17.3
139.11150	2.7
143.08554	4.0
145.10127	14.4
145.85994	1.4
147.04373	2.0
147.08041	4.9
147.11737	8.8
149.02350	33.3
149.05963	4.3
149.09627	16.9
149.13252	4.6
151.07561	3.1
151.11162	6.6
153.01810	2.7
153.02997	1.6
153.09079	4.3
155.08493	1.6
156.09331	1.7
157.10118	5.6
159.07994	2.7
159.11699	14.6
161.09564	6.7
161.13231	5.0
163.03777	2.2
163.11243	10.1
163.14853	2.4
165.09097	3.4
167.10674	4.6
169.10110	2.1
171.11670	1.7
173.09683	2.4
173.13242	12.8
175.07565	4.2
175.11205	5.9
175.14810	5.3
177.09076	2.4
177.12799	3.2
179.10687	11.0
183.11705	3.4
185.13226	1.8
187.11258	1.9
187.14735	3.9
189.06956	1.8
189.12772	2.8
189.16417	3.2
191.03436	2.5
191.14279	6.2
193.12291	3.1
193.15848	2.2
197.13242	3.0
199.14787	8.4
201.12708	4.7
203.06985	8.6
205.01344	1.9
205.12219	1.5
205.15906	2.4
215.14317	1.5
215.17944	4.0
217.15903	7.0
219.02948	3.1
219.13861	13.2
229.19510	3.3
232.18536	1.5
233.05991	1.9
233.15407	2.5
233.18903	3.0
235.16995	2.4
237.14909	6.6
239.17897	2.8
247.02382	2.8
247.20581	3.1
250.06094	2.3
257.19073	12.8
261.05493	2.3
265.08600	3.6
272.09103	2.0
275.09024	5.1
275.20093	59.9
293.02969	3.1
293.08026	5.7
293.21103	88.8
294.21747	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	6.4
55.01861	8.7
55.05518	48.9
57.03432	5.5
57.07063	10.6
67.05506	47.4
69.03427	3.6
69.07072	14.8
69.32378	28.4
71.04993	4.7
79.05496	78.0
80.61359	2.9
81.03396	6.1
81.07065	34.0
83.04982	9.5
83.08626	23.7
88.99405	2.7
90.89583	3.1
91.05491	30.1
93.07050	40.5
95.04958	10.4
95.08617	16.8
96.46490	2.6
97.06519	8.0
97.10176	31.5
98.97609	3.4
103.90684	2.6
105.07034	32.0
105.59332	2.8
107.04964	52.2
107.08592	62.6
108.16827	3.0
109.06528	3.7
109.10126	19.3
111.04427	5.9
111.08102	2.6
117.07007	9.0
117.23515	2.8
119.08593	27.0
121.10175	17.4
123.07996	3.5
123.11728	5.8
125.09631	30.5
131.08591	14.6
133.10133	21.7
135.08058	11.5
135.11705	4.3
137.09622	3.3
145.10176	13.6
147.11693	13.3
149.09624	85.7
153.09111	6.9
157.10072	3.6
159.11688	8.7
161.13274	6.8
163.03958	4.7
169.10156	3.3
169.12241	4.7
171.10205	4.9
171.11751	3.6
173.11755	4.2
173.13278	7.9
177.01804	4.0
177.12793	3.6
181.05037	3.9
184.53748	3.2
187.13232	5.1
187.14761	4.1
189.11200	24.3
191.03410	8.5
197.13159	3.2
209.11728	11.7
209.15303	3.7
219.02896	7.7
229.19507	7.0
237.11140	15.2
247.02426	6.1
247.20761	4.6
257.19089	18.5
275.20099	100.0
293.02884	7.2
293.21161	12.5
308.10318	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03935	1.7
55.01865	4.1
55.05297	1.2
55.05514	12.7
55.99917	0.9
56.96558	1.8
57.07063	2.7
67.05165	1.9
67.05502	27.2
69.03430	2.4
69.06718	1.5
69.07071	23.4
69.91416	4.5
71.04998	2.1
78.08317	1.0
79.05055	1.3
79.05492	18.7
81.03416	1.6
81.07056	32.1
83.04985	6.0
83.08607	4.2
85.06544	1.3
91.05478	19.7
93.07044	24.6
95.04961	9.2
95.08067	0.8
95.08597	21.5
97.06526	3.8
97.10151	3.5
98.21463	1.6
103.05473	2.2
105.06377	1.7
105.07038	24.1
107.04948	7.3
107.07951	1.1
107.08596	12.3
109.06508	9.7
109.10153	10.9
109.43658	1.0
111.08075	2.7
115.05428	1.0
117.07033	6.2
119.08594	11.6
121.06505	8.9
121.10149	9.5
123.08080	5.3
123.11701	2.8
125.09652	1.3
129.07076	1.3
129.50700	0.9
131.04890	5.2
131.08560	14.9
133.06491	2.3
133.10124	17.9
134.56015	1.2
135.04391	1.0
135.08020	4.4
135.11687	4.9
137.09618	4.2
142.07663	0.9
143.08580	2.8
145.06502	1.1
145.10104	13.0
147.07993	2.0
147.11662	13.3
149.09618	5.6
149.13246	2.3
151.11179	5.4
155.08574	2.9
157.10147	2.9
159.11676	7.7
161.09618	3.1
161.13231	2.9
163.11208	5.3
169.10130	1.8
171.11732	2.7
172.41418	1.0
173.09621	2.2
173.13240	4.1
175.11136	2.3
177.12782	2.5
179.23849	1.1
183.11652	2.3
187.11258	1.6
189.12668	1.0
191.03496	1.4
191.14308	3.0
197.13269	2.0
200.28716	0.9
201.12735	2.2
203.14250	0.9
207.13751	2.6
211.14725	0.9
215.14278	1.7
219.02950	1.9
219.13760	4.3
229.19518	1.5
239.17995	3.1
247.02310	1.3
247.20512	3.0
254.32639	0.9
257.18994	14.7
275.20062	100.0
276.20276	1.3
293.02939	1.9
293.21063	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.32123	0.8
52.52734	1.0
53.03947	2.1
55.01854	3.8
55.05292	1.1
55.05509	11.8
56.96547	2.4
57.03421	2.6
57.07063	2.6
67.05170	1.6
67.05503	25.5
69.03444	2.1
69.06720	1.6
69.07069	21.4
70.39192	3.8
71.04982	2.7
79.05058	1.5
79.05492	16.6
81.03429	1.3
81.07056	31.7
83.04975	7.8
83.08620	5.8
85.06539	1.8
87.01906	1.2
91.05477	16.4
93.07043	23.2
94.45638	0.9
95.04967	8.6
95.08604	16.7
97.06511	3.6
97.10156	2.3
98.97585	2.6
99.23046	1.2
105.07032	24.7
107.04970	5.4
107.08591	17.3
109.06534	11.2
109.10152	11.0
111.08048	2.0
116.63658	1.0
117.07027	6.5
119.08578	13.3
121.06518	9.5
121.10143	8.3
123.04456	1.5
123.08073	4.8
123.11670	2.3
125.09627	1.5
128.98586	1.0
129.07021	1.7
131.08569	13.1
133.06459	2.0
133.10135	16.0
135.08025	4.6
135.11705	4.8
137.05884	0.9
137.09581	3.1
143.08586	2.0
145.06516	1.6
145.10139	9.5
147.08022	3.5
147.11682	10.3
149.09648	5.3
149.13254	2.5
151.11172	7.8
155.08473	1.3
157.10107	3.5
159.08047	1.9
159.11681	6.8
161.09567	2.0
161.13232	2.3
163.03908	2.5
163.11160	4.7
169.10155	1.7
171.11676	1.7
173.09700	2.3
173.13242	4.7
175.11180	1.5
175.14812	1.2
177.12621	1.2
178.06195	1.4
183.11720	1.3
185.13232	1.6
187.11182	2.1
187.14778	1.1
189.12735	1.4
191.03398	3.2
191.14275	2.4
197.13271	2.3
201.12740	2.9
205.01353	2.2
205.19403	1.2
207.13765	3.4
215.17909	1.9
219.02960	5.7
219.13759	3.7
229.19489	1.6
233.15450	1.3
239.17908	3.4
247.02380	3.2
247.20547	3.3
257.19028	13.1
261.01627	2.2
275.20068	100.0
293.02832	4.4
293.17804	1.9
293.21088	25.6
296.76419	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	22.5
55.01875	27.3
55.05508	25.4
56.96558	24.7
57.03440	8.1
57.07065	15.9
60.29585	5.4
65.03935	5.9
67.05504	68.0
69.07071	44.0
71.01078	12.6
71.04980	8.1
75.39658	4.8
79.05501	64.9
81.03413	42.1
81.07059	100.0
83.04974	15.1
83.08633	11.3
91.05482	66.2
93.07036	50.7
95.01337	10.7
95.04959	21.1
95.08613	55.7
97.06526	37.1
97.10218	5.1
98.97578	9.5
99.08057	6.4
105.07027	85.4
107.04962	22.6
107.08583	35.0
109.06523	12.2
109.10153	18.3
111.04453	11.5
111.08045	6.4
113.06071	6.0
116.98630	6.6
117.07016	16.4
119.08577	45.8
121.06492	9.7
121.10132	13.9
123.08067	14.9
123.11747	6.2
131.00174	9.2
131.08565	33.6
133.06522	7.9
133.10149	56.6
133.38763	5.3
135.08041	9.4
135.11684	21.2
135.39748	5.4
145.06509	7.6
145.10101	30.5
147.11705	17.9
149.01314	26.1
149.09584	11.1
151.11162	7.2
159.11708	21.5
161.13254	7.6
163.11093	6.9
167.02290	15.3
173.13248	6.3
177.12801	6.6
179.14355	14.0
181.04967	9.1
183.11775	6.6
187.11218	11.2
191.03566	7.2
191.10672	7.6
209.11708	12.8
219.02872	23.1
227.78371	5.6
237.11308	28.5
237.18433	6.3
247.02432	16.7
257.19199	8.3
275.20093	73.2
293.02853	12.0
293.05707	11.0
293.20886	51.6
311.06424	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	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03933	1.8
55.01870	0.6
55.05511	35.9
65.03925	1.5
67.05495	1.1
69.03449	2.8
72.53668	0.5
73.06554	7.5
79.05476	0.7
81.03416	4.4
81.07042	2.3
83.04978	0.9
83.74219	0.5
84.26420	0.5
85.02901	1.9
91.05486	1.5
91.07590	3.8
93.03383	0.8
93.07053	1.5
95.04963	1.0
95.08604	1.6
97.02878	1.9
97.06491	0.6
98.97573	0.8
99.04519	0.6
103.05470	12.3
105.07080	0.7
107.08595	1.3
109.02877	2.4
109.10144	0.8
110.46127	0.6
117.06976	0.8
119.08591	1.6
121.02869	5.4
121.03770	0.7
121.10140	0.5
123.08019	0.7
123.11784	0.5
124.21376	0.5
127.03894	1.2
129.07008	0.9
131.04930	38.5
133.10138	0.9
135.62741	0.6
145.10127	0.7
147.04388	0.8
149.02344	100.0
149.05968	1.4
150.02690	0.9
153.01857	0.7
157.06445	0.5
162.94331	0.5
167.03377	1.6
175.07545	2.3
178.18758	0.6
189.16211	0.5
191.03601	0.6
203.07047	3.1
205.01324	0.7
205.06837	0.6
214.53862	0.5
219.03041	1.4
221.08098	3.6
228.86339	0.5
247.02332	0.8
251.73849	0.5
270.50241	0.6
275.09256	1.7
275.12766	0.9
275.19995	1.6
293.03098	0.7
293.08246	1.4
293.13837	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	293.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50615	0.4
51.16305	0.5
53.03941	1.5
53.09328	0.4
55.05514	33.0
56.96561	1.4
60.20552	0.4
65.03932	1.6
67.05500	1.1
69.03429	1.5
69.07061	1.1
70.30586	0.4
71.04971	0.8
71.61589	0.9
73.06557	7.8
79.05487	1.6
81.03419	2.8
81.07062	1.8
83.08637	0.7
84.08165	0.7
85.02907	1.3
85.06534	0.5
91.05490	2.6
91.07603	4.3
91.21117	0.4
93.07021	1.7
95.04958	0.7
95.08617	1.3
97.02882	0.8
97.06527	0.5
98.97604	0.9
103.05477	6.2
105.07043	1.7
107.08562	1.3
109.02868	1.3
109.06528	1.0
109.10137	0.9
110.97579	0.5
112.12264	0.5
119.04930	0.7
119.08594	1.0
120.08202	0.5
121.02868	5.0
121.03925	1.0
121.10136	0.9
125.09653	0.7
127.03970	0.6
128.06212	0.6
131.04930	19.6
131.08562	1.3
131.09499	0.5
133.10139	0.9
137.07106	1.1
143.08537	0.6
145.10185	0.6
147.04401	1.4
147.11681	0.8
148.04819	0.5
149.02347	100.0
153.01863	1.5
161.05975	0.8
161.09613	0.5
163.04025	0.5
163.11185	0.5
167.03418	1.5
175.07545	2.3
177.01987	0.5
189.07076	0.6
191.03510	0.8
203.07050	3.3
219.02843	1.4
221.08087	4.5
235.07520	0.9
247.02399	0.7
249.15968	1.6
250.06346	0.6
265.08606	0.9
275.06790	0.5
275.09360	0.8
275.12692	1.0
275.16437	0.5
275.20065	1.1
291.14404	0.5
293.02921	0.8
293.08234	2.1
293.13864	7.8
293.18558	0.9
293.21310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Itoside L
Peak:m/z	Relative Intensity
51.04167	1.3
53.03950	2.5
55.01863	2.8
56.96560	4.9
57.03427	4.8
57.07080	9.5
59.05001	2.3
61.02926	5.0
65.03942	1.4
67.05505	19.9
69.03432	15.5
69.07069	3.2
69.91669	7.0
70.06588	1.9
71.04990	5.7
73.02920	2.9
73.65596	1.3
79.05504	3.5
79.93377	1.4
81.03423	13.5
83.04958	1.4
84.04529	1.2
84.08137	1.6
85.02908	76.1
85.06543	8.1
86.09715	1.8
87.04416	1.3
91.03952	3.7
91.05464	3.3
93.07048	1.5
95.04972	26.8
95.08595	3.0
96.25053	1.3
97.02885	14.4
98.97591	4.2
99.04462	2.6
105.07021	1.7
107.04934	2.2
108.88286	1.2
109.02895	6.9
113.05218	2.5
113.06013	48.2
116.98641	2.4
119.04940	3.5
124.11234	1.8
127.03922	17.3
128.98640	1.8
129.04398	1.4
130.06509	1.6
131.07045	100.0
135.04393	3.4
139.03900	1.7
143.00124	1.4
145.04955	16.1
146.99614	1.5
147.04395	4.9
152.07022	1.4
158.06026	1.4
161.07092	5.7
163.03938	10.6
170.99754	1.4
175.03922	3.5
177.01865	6.1
179.03453	2.2
189.00706	1.6
191.03403	23.2
192.13933	1.3
201.10240	1.5
203.03389	13.1
205.01360	5.3
209.04459	2.0
219.02922	36.9
229.00116	1.9
233.00868	2.9
247.02394	24.9
247.10663	1.8
249.03925	2.1
251.08090	1.3
257.00827	1.4
257.09253	2.5
265.03564	2.8
275.01862	6.4
275.13718	1.4
293.02911	18.9
293.05875	1.9
293.11401	4.9
293.14944	3.3
293.18460	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	293.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.1
55.05511	22.7
65.03942	1.7
69.03436	1.0
69.07095	0.4
69.42632	2.5
73.06552	8.4
81.03415	2.0
81.07079	0.4
82.58575	0.3
85.02930	0.6
86.09718	1.0
91.05482	2.6
93.03387	0.6
95.05001	0.5
95.08607	0.5
97.02901	0.4
97.06599	0.3
98.20702	0.6
99.04425	0.4
103.05468	5.4
103.82166	0.3
105.06997	0.5
107.04946	2.0
107.08584	0.4
109.02891	0.8
109.10162	0.4
111.04446	0.3
115.05357	0.3
116.06274	0.4
119.04866	0.3
119.08591	0.6
120.08093	1.2
121.02872	6.8
121.03986	0.8
121.06444	0.3
121.10258	0.3
129.07010	3.1
131.04932	16.7
131.08563	2.9
143.04927	1.5
145.10106	0.3
147.04440	0.5
148.04675	0.4
149.02342	100.0
150.02763	0.7
151.01582	0.3
157.06509	0.6
161.05969	4.9
165.06886	0.3
167.03407	1.3
175.07552	19.7
180.10165	0.7
185.05988	0.8
189.06981	6.6
190.07709	0.6
191.08614	0.8
203.07027	25.0
205.06664	0.5
217.06500	6.2
218.07214	0.5
219.06165	0.3
219.08063	1.3
221.06102	0.4
221.08080	0.6
235.07545	4.8
237.09190	0.7
245.05959	0.9
246.06671	0.4
247.02335	0.5
247.07556	7.6
250.06085	0.5
263.07034	4.0
265.08374	0.4
275.04242	0.6
275.06982	7.8
275.09845	0.6
275.12781	3.2
275.20071	0.4
293.08044	11.9
293.13297	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	293.1166
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
52.38804	0.7
53.03935	1.1
55.01870	4.6
55.05503	1.1
60.04500	1.2
61.01154	12.7
69.03407	1.2
69.07072	1.0
69.62952	2.0
69.63358	4.8
70.02965	0.9
70.06607	0.9
71.04976	1.6
71.06129	1.6
72.04517	12.2
73.02911	2.0
78.03795	31.0
79.05476	1.2
81.03410	2.1
81.07059	1.5
83.04966	2.9
84.08130	1.0
85.02910	18.9
86.06062	2.8
95.04975	0.9
95.08657	1.1
98.02393	1.4
98.06071	1.4
98.97596	1.4
99.04455	12.5
102.03769	41.5
103.02161	4.9
103.03285	1.5
103.03946	30.7
103.04630	1.5
103.89713	0.9
104.01670	1.4
104.79459	0.9
109.02866	7.3
110.18061	0.8
112.07640	1.5
114.03762	3.9
114.05553	2.4
115.05069	1.2
118.03242	1.2
120.04795	6.9
124.07618	1.7
126.05521	32.8
127.03925	11.8
130.24146	1.1
131.06392	20.3
132.04794	15.7
139.03871	1.2
140.04236	1.0
141.06609	1.9
147.04391	1.3
147.05811	1.7
149.07443	100.0
152.07100	3.3
154.08626	5.1
156.06531	2.3
156.14438	0.8
158.02676	1.6
163.03903	2.7
175.05403	4.8
177.01846	1.0
180.06563	27.2
191.03337	4.1
191.08572	0.8
198.07628	7.7
205.01369	1.3
216.08771	4.5
219.02914	7.2
222.07947	1.0
231.11664	8.0
233.09659	2.5
240.31735	0.8
247.02472	5.2
248.33014	0.8
257.09531	4.1
275.01920	1.1
275.10608	4.7
275.13382	0.8
293.02954	7.0
293.11685	73.0
293.18887	2.8
307.44812	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.3
55.01871	0.4
55.05505	1.8
57.03440	1.0
57.07076	0.6
61.02931	0.4
67.05496	2.0
69.03430	5.0
69.07059	2.4
70.39158	0.6
70.39552	0.5
71.04989	0.8
76.21559	0.3
77.03930	0.6
77.09400	0.2
79.05490	1.4
81.03419	7.8
81.07052	3.8
83.04969	0.4
83.08599	1.8
85.02897	4.0
85.06559	0.6
89.88677	0.3
91.05478	1.3
93.07049	1.9
95.04981	1.0
95.08610	3.4
96.47913	0.3
97.02900	2.1
97.06550	0.4
97.10179	0.5
98.97585	0.7
99.04455	1.1
99.08091	0.3
102.04677	0.2
103.05469	38.2
104.05930	0.3
105.04533	0.3
105.07055	1.2
107.04997	0.3
107.08575	1.7
109.02885	3.3
109.06536	0.4
109.10168	1.8
110.05997	0.3
111.08092	0.6
116.98631	0.4
117.07066	0.5
119.08579	0.7
121.06508	0.4
121.10160	1.0
122.39061	0.3
123.08146	0.3
123.11709	1.0
124.06774	0.3
125.09615	0.3
127.03911	1.1
129.07037	0.4
131.04927	100.0
132.05298	0.5
133.10130	0.8
135.08031	0.3
135.11729	0.7
137.13258	0.4
143.08614	0.4
145.10121	0.3
147.11697	0.5
148.53917	0.3
149.02324	0.4
149.05966	2.5
149.09543	0.3
149.13242	0.9
157.10213	0.3
159.08261	0.2
159.11749	0.4
161.13319	0.3
163.11209	0.3
163.14806	0.4
167.14278	0.4
184.16959	0.9
185.13420	0.2
191.03413	0.6
195.11661	0.3
199.14981	0.3
205.01329	0.3
219.02881	0.7
219.21083	0.3
230.23810	0.6
236.15846	0.3
247.02454	0.9
265.08707	0.4
275.09180	3.6
275.20004	0.9
292.27533	1.3
293.03000	0.7
293.07709	0.5
293.10443	0.6
293.17908	0.4
293.22235	1.5
293.27856	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0291
Annotation	Phyllanthusiin E
Peak:m/z	Relative Intensity
53.00304	1.1
54.37700	0.6
54.45818	0.6
61.63700	0.6
70.31284	0.7
72.23486	0.6
77.03935	0.8
79.05494	3.8
82.35992	0.6
89.03915	0.9
91.05425	0.8
93.97338	0.7
95.04942	0.8
98.21516	1.5
107.04955	3.5
109.02911	0.7
114.63280	0.7
117.03380	2.3
119.04928	0.7
123.04418	1.2
135.04420	4.3
139.03893	0.9
140.04192	0.7
141.04308	0.8
142.06116	0.7
145.02827	2.2
147.04391	2.3
149.02235	0.8
151.03918	2.4
163.03908	33.2
173.02374	1.7
175.03922	0.9
177.01833	17.1
179.03362	2.6
191.03392	54.2
201.01788	2.8
205.01324	14.4
207.02933	4.9
219.02885	100.0
220.03212	1.2
229.01282	1.1
229.15129	0.9
237.03847	1.0
247.02382	29.0
249.03951	2.8
265.03357	3.7
275.01852	5.6
293.02902	69.4
293.14810	1.5
294.03088	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.081
Annotation	Pongaglabol methyl ether
Peak:m/z	Relative Intensity
51.89326	0.4
53.03948	1.2
53.60878	0.3
55.01881	2.4
55.05513	3.9
55.67159	0.3
56.96563	1.6
57.03438	0.5
57.07069	1.1
65.03939	0.8
67.05508	3.8
69.03431	4.1
69.07067	3.9
71.04983	1.1
71.08624	0.5
71.16174	0.3
71.62122	0.6
73.02920	0.4
79.05495	3.0
81.03426	5.0
81.07056	6.9
83.04960	1.8
83.08624	3.3
85.02904	2.6
85.06548	1.2
91.05486	2.8
93.07043	3.6
95.04971	1.6
95.08602	7.4
97.02895	1.6
97.06548	0.9
97.10173	1.1
98.97596	4.0
99.04430	1.0
99.08096	0.7
103.05470	14.9
105.03397	0.9
105.07042	3.4
107.04971	2.1
107.08592	3.8
109.02866	2.5
109.06509	1.6
109.10149	4.6
110.97594	0.5
111.04424	0.5
111.08110	1.1
111.11708	0.5
113.09622	0.8
115.05467	4.5
116.98627	1.1
117.06991	0.9
119.08613	2.8
121.02798	0.5
121.06538	1.0
121.10162	3.6
123.08077	1.0
123.11711	2.7
125.09634	0.9
127.03915	1.2
127.07558	0.6
128.98608	0.7
129.09097	0.5
131.04929	45.2
131.08557	1.5
132.05283	0.6
132.28130	0.4
133.10135	1.4
134.99670	0.6
135.04407	0.6
135.08081	2.0
135.11684	1.4
137.09612	1.7
137.13251	0.8
139.11166	0.6
140.52402	0.4
143.04922	1.3
143.08548	0.4
145.10138	1.1
147.08023	0.5
147.11696	0.9
149.02348	2.6
149.05986	1.5
149.09569	1.9
149.13234	0.6
151.07568	0.4
151.11177	1.1
155.10649	0.5
157.10130	0.8
158.99709	0.9
159.11714	1.1
161.09595	0.6
161.13266	0.6
163.03896	0.6
163.11200	1.1
163.14775	0.4
165.07008	1.3
165.09093	0.5
167.08463	0.5
169.10103	0.5
171.04410	1.2
173.13261	1.2
177.00644	0.4
177.07002	0.8
178.07764	7.8
179.08560	16.7
181.06476	0.9
183.11638	0.7
187.11252	0.7
189.06995	8.7
190.07771	0.9
191.03406	0.9
191.08568	1.2
191.14380	0.5
192.05742	0.8
193.06522	1.4
195.08040	1.1
200.04494	0.5
201.05200	1.4
201.12717	0.7
203.03387	0.5
203.11172	0.5
203.14357	0.5
205.06487	1.6
206.07280	2.6
207.08054	41.7
208.08665	0.5
209.09665	0.4
215.18163	0.5
217.06442	1.8
218.07317	1.0
219.02878	1.2
219.08118	0.7
219.13701	0.7
221.05986	0.8
222.06711	1.0
233.05980	0.7
234.06766	1.0
235.07542	36.3
237.02847	0.9
237.09111	1.0
241.48427	0.4
247.02487	0.7
247.07513	1.9
249.06374	0.4
257.18958	1.5
261.05478	0.5
263.06961	2.3
264.07764	0.5
265.08600	100.0
266.08936	1.0
275.06918	1.3
275.09274	1.4
275.16638	0.5
275.20035	3.3
293.08063	55.5
293.21106	3.7
293.28265	0.9
294.08371	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1909
Annotation	Dendroxine
Peak:m/z	Relative Intensity
50.22867	0.5
55.01841	0.5
55.05511	1.9
56.05038	3.7
56.96573	1.2
57.07092	0.5
58.06602	0.8
67.05511	7.2
69.03442	0.7
69.07056	0.8
70.06598	2.3
71.61280	0.7
72.08170	0.6
79.05498	0.8
81.03435	3.9
81.07053	1.0
82.03762	1.8
82.06612	0.7
84.08145	100.0
85.02907	0.8
88.51038	0.5
91.05465	1.5
93.07037	0.8
94.93014	0.5
95.08604	0.9
96.08134	0.6
97.08910	0.6
98.09704	2.9
98.97585	1.2
103.05394	0.6
107.04954	9.1
109.02901	2.7
109.10155	2.4
118.06564	0.7
119.04944	1.2
120.69650	0.6
121.06548	0.6
124.11257	0.6
126.12795	74.8
131.04903	2.0
144.13843	6.6
147.04405	3.3
148.04761	3.1
149.05904	0.6
153.01849	1.0
163.03900	2.0
166.08701	1.3
174.09297	0.5
184.11183	1.0
185.10004	1.1
185.12025	2.1
186.09096	1.4
187.09819	0.7
195.02371	0.6
198.09164	2.5
200.10718	2.1
202.12311	0.5
210.09084	0.9
212.10687	2.3
213.11456	5.1
214.12253	1.6
216.10260	0.6
226.12363	3.0
230.11749	1.7
232.13187	0.6
233.07840	0.6
238.12437	1.3
246.14781	0.6
256.13315	8.2
274.14374	16.7
274.17377	0.7
292.08865	1.6
292.15405	22.6
292.19000	56.8
293.19235	0.9
306.23169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31355	0.4
55.05515	4.6
56.05032	1.0
56.96574	2.7
57.03425	1.6
58.06577	0.4
61.02924	1.6
62.28837	0.4
67.05523	1.1
68.05023	0.6
69.03422	3.2
69.07065	1.4
69.93054	1.9
70.06600	4.3
70.90416	0.5
72.08146	0.7
73.02908	1.5
79.05480	2.6
79.38577	0.4
80.05026	0.7
81.03420	1.5
81.07056	7.5
82.06582	13.5
83.04985	0.5
84.04498	0.8
84.08147	14.2
85.02911	5.2
85.06566	0.6
86.06068	0.4
88.07645	0.6
91.03958	0.8
91.05479	0.5
92.61635	0.4
94.06568	1.3
95.04985	1.0
95.06059	0.6
96.08137	1.8
97.02892	2.4
97.47545	0.5
98.06037	0.5
98.21428	0.6
98.97577	5.0
99.04445	0.8
101.00887	1.0
103.59427	0.4
107.08574	0.7
109.02914	1.0
110.07153	1.0
110.97585	0.8
111.02004	0.6
112.07600	4.4
116.98627	1.4
118.06898	0.6
119.01936	1.4
119.04956	0.6
120.02563	0.5
122.09631	1.0
124.07617	2.3
124.11230	25.3
126.05508	0.8
126.09169	0.5
127.03903	1.9
127.04982	0.6
128.04265	0.8
128.98590	0.6
129.03113	0.6
129.04416	0.6
130.06567	0.8
130.08640	13.7
131.00139	0.5
136.07588	1.0
142.12276	100.0
143.00185	0.7
143.01891	0.6
145.01654	0.7
145.05032	0.6
147.04388	2.9
152.07045	1.1
153.01859	2.3
154.08614	1.6
154.12241	0.7
155.04703	0.7
157.03491	0.9
158.99649	0.9
161.01263	0.7
161.02800	0.5
162.05229	0.4
166.55490	0.5
168.03641	0.4
172.13297	0.7
173.03110	0.5
175.04507	1.0
175.56009	0.5
176.05132	0.6
177.00575	0.4
184.13315	0.8
194.53471	0.5
196.13260	0.8
201.00711	0.4
202.06030	4.1
205.00046	0.5
214.10770	1.2
214.14449	1.3
216.12320	0.8
216.14197	0.4
219.01767	1.2
223.01305	0.8
223.06532	0.7
232.03586	0.7
232.15393	2.0
233.96979	0.4
237.02924	1.5
238.14282	0.5
239.04318	1.0
246.09872	1.3
256.15555	3.2
274.07895	0.7
274.16492	23.4
289.06064	0.5
292.17548	80.0
293.10889	1.4
293.17905	0.6
307.06900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.0848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.4
53.36997	1.0
56.96560	1.6
57.03424	1.3
61.02909	2.4
68.81254	1.0
69.03417	5.1
70.06592	2.0
70.54742	1.0
70.99577	12.4
71.04982	1.2
71.60653	1.3
79.05491	1.2
81.03421	2.2
84.08122	1.5
85.02908	14.1
87.04474	1.3
91.03964	1.6
91.05508	1.2
95.04955	1.0
97.02900	5.5
99.04436	1.2
109.02897	1.3
112.02194	77.6
123.04425	3.5
124.04724	2.2
124.11235	2.8
127.03925	2.9
130.03230	100.0
138.09198	1.6
139.03912	5.0
140.04253	3.8
145.04970	2.8
147.04433	1.5
148.04796	1.4
148.05925	1.1
153.01811	2.2
163.03902	1.3
165.05547	1.2
177.02002	1.0
177.06017	1.0
177.61908	1.1
191.03378	3.1
204.08884	1.4
216.13847	1.3
219.02895	6.9
234.14832	3.7
247.02394	2.4
250.17914	1.8
256.15607	1.4
274.12714	1.3
274.18149	1.5
275.01642	1.5
288.39563	1.1
292.08093	1.2
292.15637	1.8
292.19040	18.9
293.02878	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	291.2318
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
50.88858	1.2
53.03937	4.9
55.01871	1.4
55.05296	1.4
55.05514	17.3
56.53014	1.3
57.07065	3.8
65.74977	1.2
67.05161	2.0
67.05508	38.5
69.07066	17.5
71.30831	1.5
79.05495	73.7
81.07059	45.5
83.04942	2.1
83.08628	8.0
84.99900	1.6
85.06531	4.2
91.05488	30.1
93.07048	100.0
95.04976	7.0
95.08611	31.9
97.06541	3.6
97.10171	3.2
99.08145	2.0
105.04469	1.8
105.07041	19.8
107.07858	2.8
107.08592	57.2
109.06566	1.6
109.10156	15.7
117.07000	3.6
119.08600	16.2
121.10149	48.5
123.08069	3.3
123.11684	4.6
125.09610	1.9
127.03925	1.7
129.04329	1.9
129.07018	3.3
131.08574	6.5
133.10141	15.6
135.08080	1.4
135.11702	53.8
137.09628	2.3
137.13252	1.9
142.07843	1.3
143.08505	2.9
145.10100	6.8
147.11691	8.3
149.09631	3.6
149.13260	33.1
151.11171	1.5
155.10591	1.5
156.49416	1.5
157.10127	2.9
159.11729	4.9
161.13252	7.8
163.11186	4.3
163.14810	8.4
165.12843	1.6
171.11711	3.9
173.13266	2.5
175.11183	1.6
175.14803	4.5
177.12749	3.9
177.16429	1.5
181.12329	2.0
183.11726	2.1
185.13261	4.1
189.12776	2.4
199.14787	1.9
203.14227	1.7
204.06528	1.4
209.15439	1.4
209.36038	1.4
213.16403	2.5
217.19466	2.3
221.15390	2.1
231.17516	2.3
235.16811	2.0
241.19496	3.7
249.18521	7.2
259.20575	8.4
291.19766	6.2
291.23193	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Methyl [6]-Shogaol
Peak:m/z	Relative Intensity
53.03943	2.1
54.48517	1.2
55.01861	1.9
55.05500	4.5
56.80851	1.3
56.96553	5.4
57.07064	4.0
59.04992	3.6
67.05504	7.4
69.03414	4.1
69.07056	5.3
70.06583	2.7
71.04984	3.3
71.61142	2.1
73.53050	1.4
79.05491	9.1
81.03403	2.5
81.07059	14.2
83.04966	4.2
83.08614	6.1
85.02903	2.8
85.06519	2.6
88.07609	4.3
91.05477	9.4
93.07047	14.3
95.04955	5.4
95.08614	19.6
97.02854	1.9
97.06514	3.9
97.10190	2.6
98.97597	8.2
105.07047	13.2
107.04933	4.6
107.08595	11.0
109.06528	7.4
109.10126	6.9
111.07359	2.0
111.08081	30.3
115.05417	1.6
116.98579	2.9
117.07010	3.3
118.45488	1.3
119.08575	12.6
121.06538	2.1
121.10149	10.3
123.08071	37.1
123.11694	3.0
125.09621	2.5
127.03891	3.0
128.06177	1.3
129.07040	1.6
131.08534	8.3
133.06454	4.6
133.10129	10.7
134.99597	1.2
135.08022	5.7
135.11690	4.5
137.09602	5.4
137.70763	1.2
143.08549	3.0
145.10124	15.2
147.04358	1.6
147.08018	4.1
147.11673	7.7
149.09605	6.1
149.13214	1.4
151.07542	100.0
155.10594	1.7
156.09335	2.8
157.10107	4.8
159.08051	2.5
159.11679	6.1
161.09618	6.0
161.13219	1.9
163.11185	5.2
165.12589	1.3
171.11630	3.1
173.09579	1.9
173.13245	4.9
174.10358	1.5
175.11194	5.1
177.09079	1.8
177.12817	1.6
179.10635	5.1
182.11130	1.3
185.13226	1.4
185.75253	1.3
187.11137	4.1
187.14743	1.7
189.12762	31.2
191.10661	1.5
191.14310	3.8
192.11389	4.2
197.11745	15.0
197.13330	1.9
203.08702	1.5
203.14304	2.7
207.13808	69.0
213.16324	1.7
215.14282	5.9
217.12209	5.4
217.15697	1.9
229.23491	6.1
231.07939	3.0
231.17291	2.0
233.15408	16.8
235.13251	1.6
247.70409	1.3
249.02779	1.5
255.17474	3.6
260.08365	2.5
273.15686	1.3
273.18411	7.0
291.10028	5.5
291.16104	2.9
291.19510	45.7
291.27161	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	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03928	8.7
55.01861	4.6
55.05508	17.8
56.96549	11.7
57.03416	3.2
57.07059	5.9
59.04980	7.3
62.76646	2.8
65.50220	2.7
67.05504	21.9
67.70898	3.0
69.03417	10.6
69.07073	28.2
70.23207	10.4
71.04993	22.1
72.32786	3.0
79.05493	21.6
81.03418	35.1
81.07055	41.2
83.04982	18.7
83.08605	12.9
85.02892	6.2
85.06544	16.9
88.63350	2.8
91.05482	24.1
93.07040	44.0
95.04974	14.9
95.08035	5.3
95.08609	70.3
97.06502	7.6
97.10132	3.1
97.51000	2.5
98.97577	28.5
99.04440	5.9
99.08080	4.4
101.05968	3.8
103.05457	11.8
105.07021	46.8
107.04945	9.0
107.08598	45.9
109.02889	22.0
109.06512	21.9
109.10150	22.4
110.97522	3.0
111.08099	20.1
113.09619	23.0
115.05403	4.7
116.98595	10.5
117.06994	12.2
119.04901	9.8
119.08585	38.0
121.06547	14.2
121.10142	32.4
123.08076	24.2
123.11698	9.3
125.09617	11.8
127.03912	6.6
128.06226	4.2
129.06982	10.2
131.04921	15.8
131.08574	42.7
133.06458	5.3
133.10132	47.8
135.08055	30.6
135.11702	11.8
137.09621	31.7
139.11212	4.3
141.06950	3.8
142.07776	6.1
143.00110	4.8
143.08525	12.5
145.06544	3.9
145.10124	30.2
146.07202	3.1
147.04402	33.0
147.08029	7.8
147.11714	17.6
149.09642	17.5
149.13245	9.3
151.07521	17.6
151.11168	5.8
153.01813	4.4
155.08452	6.8
156.09267	4.7
157.10138	23.4
158.10886	3.1
158.99635	5.5
159.08038	10.7
159.11673	19.1
161.01280	4.5
161.06076	2.8
161.09633	17.9
161.13275	10.2
163.11154	11.0
163.14861	5.0
165.09119	25.1
167.08507	5.5
169.10118	5.2
170.10852	3.1
171.11694	25.8
173.09596	8.8
173.13258	29.9
175.11186	10.2
175.14815	7.8
177.00766	5.5
177.09090	3.7
177.12721	5.1
179.10661	8.1
181.10117	3.3
182.10941	6.1
185.09676	5.0
185.13252	9.0
187.11163	10.4
187.14845	20.9
189.00771	5.8
189.12746	18.7
191.14310	7.1
193.12283	4.2
195.11728	5.0
197.13266	9.2
199.11165	11.5
201.00633	3.3
201.12703	3.2
201.16502	3.4
203.08577	3.1
203.14310	12.5
205.12267	4.9
205.15892	5.5
207.13768	9.3
213.12692	3.0
213.16362	17.1
215.14323	47.4
217.12262	7.5
219.01706	6.5
219.33830	2.7
221.15404	7.5
227.17827	8.7
231.17484	17.8
233.15431	16.5
235.13321	3.4
245.19025	9.5
249.02597	3.0
255.17418	26.2
256.45828	2.9
261.18420	4.6
273.18521	81.0
291.08636	13.2
291.12750	3.8
291.19547	100.0
291.26593	6.7
314.60519	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.08155	2.9
51.63994	3.1
53.03945	7.6
55.01869	13.2
55.05508	33.3
56.96571	17.0
57.03426	5.7
59.05000	3.8
67.05500	33.2
69.03430	9.2
69.07069	19.6
71.04987	7.5
71.62103	3.6
79.05495	48.3
81.03407	4.5
81.06633	4.6
81.07066	61.7
83.04996	6.8
83.08617	11.4
83.45937	3.0
85.06538	8.4
91.05489	42.5
93.07047	44.3
95.04966	25.1
95.08614	31.9
97.10162	12.6
98.97589	15.1
98.98466	3.4
99.08094	3.1
104.44550	3.0
105.07031	33.1
107.04961	10.1
107.08611	29.0
109.06493	14.1
109.10153	14.6
111.08108	29.0
112.39378	3.4
115.05418	6.2
116.98631	6.1
117.07017	32.8
119.04894	4.4
119.08588	49.6
121.06512	18.8
121.10142	15.8
123.08065	22.9
123.11682	6.6
125.09613	13.0
127.03902	7.1
129.06976	11.3
131.04938	7.8
131.08565	16.9
133.06503	13.9
133.10120	16.2
135.08040	17.5
135.11708	7.4
137.09596	3.9
139.03886	6.2
143.08565	10.5
145.10115	27.7
147.04453	4.8
147.08020	27.7
147.11668	9.7
149.09598	12.7
151.07553	52.0
157.10115	16.6
159.08072	7.7
159.11653	8.6
161.05908	3.3
161.09660	13.4
161.13289	4.7
163.11145	9.6
171.11658	6.2
173.13243	4.6
175.11151	7.2
177.09096	3.3
179.10655	4.3
185.13231	6.4
189.11281	8.0
189.12767	10.4
191.10751	4.0
191.14253	4.0
195.11713	4.7
197.11673	7.5
199.11203	3.6
201.00601	4.2
207.13824	27.8
217.12112	4.6
217.15979	3.9
219.01564	4.2
223.13316	4.6
227.17914	5.6
236.27884	2.8
249.14832	10.1
255.17392	7.0
273.15750	4.8
273.18500	37.2
288.78131	3.4
291.01260	4.0
291.16730	3.4
291.19543	100.0
291.27005	11.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29337	0.6
55.05511	0.6
56.05035	0.8
61.00191	0.6
61.40736	0.7
67.05533	0.7
69.03432	16.7
69.07068	2.3
70.06590	1.4
71.03418	1.3
77.93460	0.6
81.03413	2.7
84.08149	7.1
86.06091	5.3
91.05477	1.1
93.07030	1.1
95.08646	1.0
98.97585	1.6
103.05431	1.7
105.07037	1.2
105.97189	0.7
107.08619	0.8
109.02893	1.3
112.07611	100.0
113.07910	0.9
116.26708	0.6
119.04964	1.3
119.08584	0.9
121.06480	0.8
124.07594	0.8
131.04941	5.0
134.09659	0.7
136.11250	3.7
138.09149	18.9
146.09595	1.7
147.04416	5.8
147.10490	0.7
148.11230	1.0
152.10690	1.4
153.01833	1.7
160.11200	2.1
161.09563	1.2
162.12733	1.5
163.11195	1.1
164.10725	32.4
178.12256	7.7
180.10205	65.5
188.10730	6.7
202.12257	1.3
206.11781	29.3
207.36629	0.8
222.09402	0.7
231.14958	4.0
273.16040	8.2
291.08640	1.3
291.17014	32.5
292.17310	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03939	0.5
54.29126	0.4
55.01872	1.9
55.05513	1.0
56.96576	2.8
65.03951	0.9
67.01862	0.4
67.05507	1.9
68.99792	2.0
69.03423	1.7
69.07071	4.4
70.02913	2.0
71.05005	0.5
81.03416	1.4
81.07051	0.6
83.04981	1.3
83.08657	0.5
85.02908	5.8
85.06539	0.6
86.00637	0.5
86.09704	0.7
91.05475	3.0
93.03387	1.1
93.07027	0.9
95.04982	3.2
95.08612	0.8
97.02911	1.3
98.21472	0.6
98.97591	9.8
99.04482	0.7
99.08110	0.5
105.03394	0.8
105.07020	1.7
107.04919	0.6
107.08551	0.9
109.02880	1.1
109.10193	0.4
111.04456	3.5
111.08081	1.3
111.11713	0.6
115.05455	1.2
116.98627	3.7
117.07035	0.7
119.04948	7.2
119.08557	1.0
121.10149	0.5
123.04433	66.9
124.04797	0.7
124.99096	0.8
127.03913	2.7
128.00449	0.5
129.04277	0.6
129.12747	1.0
129.71095	0.4
131.00208	0.5
131.04939	0.9
131.08615	0.5
133.06543	1.2
133.10136	0.6
135.04463	0.5
135.11639	0.6
137.02316	0.8
137.05974	1.2
139.03906	100.0
139.11253	0.4
140.04150	0.5
140.98726	0.4
141.12752	1.0
143.00128	1.7
143.04944	3.0
145.04953	0.9
147.04416	21.7
151.03929	2.6
153.05475	0.5
156.98099	0.5
158.99646	0.7
159.11661	0.6
161.01244	1.9
161.05986	8.8
163.03949	2.1
165.05481	15.9
169.04921	2.2
170.99672	0.9
175.07542	0.5
177.00694	1.0
177.05507	1.2
179.07043	3.3
181.04956	1.5
182.99619	1.1
189.00723	1.9
189.05492	2.0
200.00005	0.4
201.00760	2.1
203.10690	0.6
203.14305	0.5
207.04749	0.8
207.06534	6.7
209.36580	0.5
219.01680	2.1
219.13905	0.6
237.14902	0.5
245.12627	0.4
249.02884	1.9
249.07539	1.5
255.15923	0.7
273.07501	0.8
273.14865	0.5
291.05377	0.8
291.08453	4.9
291.13251	1.1
291.16220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0863
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.03942	0.4
55.01870	1.4
65.03962	1.3
67.05488	1.0
68.99796	2.1
69.73579	0.4
69.93126	0.9
69.93543	1.7
81.03438	0.4
83.04964	1.0
91.05477	2.3
93.03413	1.1
95.04963	3.7
98.21429	0.8
105.03405	0.7
111.04463	2.5
115.05443	0.5
116.02747	0.4
119.04945	6.6
119.55391	0.5
123.04432	65.1
127.03905	1.2
131.04967	0.7
133.06479	1.1
135.04401	0.6
137.02417	0.8
137.05939	0.6
139.03903	100.0
143.04932	3.1
147.04411	23.0
150.04446	0.4
151.03952	2.7
151.07541	0.7
153.05461	1.0
161.05989	8.5
163.03903	2.0
165.05476	13.6
169.04976	1.3
177.05475	1.1
179.07034	3.1
181.04936	1.0
189.05473	1.7
207.06529	7.3
219.02771	0.4
227.03171	0.4
231.06302	0.4
249.07555	1.6
273.07632	0.9
273.12347	0.7
291.08646	4.5
291.13397	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0918
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03942	0.3
55.01857	0.5
61.02915	1.0
67.04807	0.3
69.03426	1.6
70.04219	1.2
77.89296	0.2
81.03407	1.0
85.02905	5.2
97.02921	1.6
97.03474	0.2
99.04470	0.4
109.02870	0.8
127.03919	100.0
127.29173	0.2
128.04272	0.4
145.04971	0.9
179.90704	0.3
289.09094	0.5
299.98758	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
64.30005	2.8
69.03436	5.0
70.03722	12.2
70.06589	6.4
82.06586	17.2
84.08134	3.7
85.02909	11.9
89.83371	3.3
95.04948	8.9
97.02884	3.3
98.09718	3.6
98.21391	3.4
101.00957	3.3
103.03951	6.0
124.07641	4.3
124.11195	6.9
127.02942	4.9
127.03916	100.0
128.04263	87.8
128.07097	9.9
128.10710	5.2
140.10693	13.6
163.36073	3.2
176.10837	3.6
182.11743	3.1
196.09654	4.7
206.11771	7.2
218.11749	4.1
233.35692	3.2
236.12842	17.7
254.13887	24.5
272.11841	5.2
272.14938	37.8
290.06549	16.7
290.09341	6.8
290.12427	22.0
290.15964	35.9
291.10477	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.1752
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.2
56.05048	3.6
59.62710	0.5
65.10207	0.6
67.05509	4.0
69.99570	2.5
70.06586	1.6
70.36971	0.5
84.08145	78.6
91.05485	6.5
97.08913	0.8
98.09695	1.9
98.21421	0.9
109.10133	0.8
119.04948	23.3
126.12795	61.5
144.12173	0.8
144.13844	50.4
147.04411	100.0
148.04953	0.6
165.05525	0.9
215.76579	0.6
217.81444	0.6
290.17505	43.5
291.17441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0917
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03942	0.6
54.36102	0.3
57.03438	0.4
58.72409	0.3
61.02915	0.9
61.31517	0.3
68.95441	0.3
69.03431	1.8
69.22824	0.3
71.04556	0.8
76.28571	0.3
81.03419	0.5
85.02909	5.0
87.04484	0.4
97.02914	1.6
99.04485	0.5
100.11505	0.4
104.15228	0.3
109.02900	1.3
127.03924	100.0
128.04274	0.7
135.51994	0.4
145.04910	0.4
249.32475	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0708
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03923	1.1
55.01851	1.2
56.96568	1.0
57.04551	1.1
65.03937	1.8
67.01871	1.1
68.99783	3.0
69.03432	6.3
69.07069	2.0
69.14816	1.0
71.60760	1.7
79.05476	1.9
81.03413	5.4
81.07059	1.7
85.02894	5.5
85.06503	1.5
91.05468	3.6
93.07044	1.3
95.05000	2.0
97.02896	3.0
98.97596	2.0
99.04484	1.2
105.07067	1.6
107.04961	21.8
108.08101	1.5
109.02905	2.2
111.04429	1.3
112.02127	1.2
112.07631	1.3
115.23743	1.0
119.04897	2.8
119.08566	1.6
121.02879	8.4
123.04431	4.8
127.03922	100.0
128.25148	1.1
131.04980	1.7
131.08563	2.7
135.04393	4.0
139.03902	12.3
141.07007	5.1
145.02844	2.4
147.04457	1.8
147.08032	2.1
148.07623	3.2
149.02350	57.6
153.01839	20.2
153.02997	2.2
159.04414	1.3
159.08060	1.2
162.57367	1.1
163.03908	4.8
163.37993	1.2
167.03404	1.6
169.06502	6.8
171.02872	2.3
176.10703	1.5
181.06416	1.4
187.04021	1.2
187.07661	2.4
196.10004	1.7
197.05959	10.3
206.11739	1.3
215.07034	67.8
225.05467	3.3
229.13393	1.7
243.06546	91.6
253.04935	3.1
253.13455	2.3
257.12808	4.6
271.06000	38.2
271.14450	2.8
289.06763	4.2
289.11389	3.9
289.15546	9.8
289.18668	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	288.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
61.02919	2.8
69.03409	4.1
71.60940	2.0
74.06068	4.3
79.05449	1.3
81.03407	2.8
85.02900	21.7
91.05482	100.0
97.02895	18.7
108.04449	1.6
115.03960	1.5
116.07093	3.0
117.07044	1.8
124.07548	2.0
124.11243	12.7
125.02356	1.5
127.03922	17.5
129.07033	1.7
130.51379	1.2
133.06442	1.7
136.07545	4.0
137.09596	3.7
145.04929	6.0
145.06459	1.9
149.02261	1.6
215.73303	1.3
288.05850	3.6
288.09399	2.4
288.15866	5.2
295.52734	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0707
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03952	1.1
55.01894	1.1
65.03949	1.7
67.05518	1.2
68.99790	3.9
69.03411	3.6
69.07043	1.6
70.26561	1.0
71.04751	1.8
74.84251	1.2
76.38525	1.2
77.79449	1.0
79.05518	1.6
81.03422	11.4
85.02912	6.6
86.09725	1.4
91.05495	6.1
97.02882	2.6
99.04440	1.2
107.04959	22.5
109.02821	1.4
119.04990	1.5
119.08546	1.4
121.02880	7.8
123.04429	1.7
127.03922	100.0
131.04961	1.6
131.08514	1.8
135.04430	1.7
140.41026	1.1
141.06995	3.2
145.06438	1.4
147.04413	1.7
147.08035	2.2
147.09158	2.3
149.02348	68.2
153.01826	16.1
157.06471	1.6
159.04317	1.0
159.08006	1.8
169.06505	6.7
173.05981	2.3
175.08669	1.3
186.02315	1.3
187.03918	1.3
187.07574	1.4
191.08163	4.5
197.05975	6.2
214.11044	2.8
214.76271	1.0
215.07034	74.6
225.05371	1.7
229.13393	3.0
242.10541	1.5
243.06548	99.3
253.04890	1.6
257.12878	9.3
271.06012	37.6
271.10590	2.0
289.03143	1.1
289.06311	2.7
289.11786	5.8
289.15555	7.5
290.10223	1.7
312.96008	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30524	0.4
56.05033	0.8
57.03424	1.4
60.04509	1.8
61.02904	0.5
68.05013	1.0
69.03424	0.8
70.06580	1.3
70.52330	1.2
73.02900	0.5
83.04971	0.5
84.04490	0.7
85.02906	1.1
86.02397	0.4
86.06059	3.4
88.03992	12.7
98.09591	0.3
98.20734	0.4
98.97566	0.9
100.07589	0.6
101.00839	0.5
111.04443	0.3
112.07606	4.1
114.05527	7.6
118.34438	0.4
120.16220	0.3
121.39912	0.3
127.03934	0.6
128.07056	1.2
128.60744	0.3
130.04999	11.5
130.08595	0.4
140.07062	3.9
142.04985	2.7
142.08650	3.3
153.01842	0.7
158.04515	2.4
158.08105	1.4
167.20642	0.4
168.06537	1.4
169.09732	3.4
186.07610	100.0
187.07928	0.5
191.03760	0.4
197.09198	3.6
241.11967	1.6
269.11301	0.6
287.05518	6.2
287.12366	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01884	0.2
55.05513	0.2
64.80479	0.2
67.01871	1.5
67.05498	0.2
68.99784	1.3
69.03416	0.2
69.07076	0.2
69.46627	1.2
69.46953	0.2
70.06625	0.1
79.05496	0.6
79.53446	0.1
81.03409	0.4
81.07039	0.4
85.02939	0.2
85.51297	0.1
89.03924	0.9
91.05478	0.4
95.08643	0.4
97.02881	0.2
97.06504	0.2
98.98487	0.2
103.05479	0.3
105.03409	0.2
105.07000	0.3
107.04971	0.5
107.08581	0.2
107.46708	0.1
109.02879	0.2
109.06511	0.2
109.10130	0.2
111.00816	0.3
111.04435	0.2
117.03365	0.9
119.04906	0.2
121.06487	0.2
122.06049	0.2
124.07592	0.2
124.11189	0.2
125.02349	0.6
127.03947	0.3
128.06204	0.2
129.01848	0.4
129.07014	0.3
131.04868	0.2
135.04420	4.1
135.07979	0.2
136.07568	1.6
137.02342	1.5
137.05954	0.5
139.05452	0.3
146.06010	0.2
147.11671	0.2
149.05957	0.4
151.07559	0.3
152.06242	0.2
153.01830	11.4
159.04486	0.1
159.11649	0.2
161.02333	1.3
163.07526	0.4
164.07040	1.1
167.08588	0.5
171.02925	0.9
179.03381	0.6
181.06396	0.2
185.05986	0.4
195.07999	0.8
199.03877	0.2
203.03345	0.2
212.04568	0.2
213.05411	0.7
223.07414	0.2
227.10661	1.1
241.04947	1.3
241.09673	0.2
245.04411	0.2
255.10231	0.6
269.04431	0.5
269.12601	0.2
281.80402	0.1
287.05496	100.0
288.05820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87922	0.1
51.40881	0.1
67.01868	1.8
68.99790	1.7
69.03413	0.2
71.40672	0.2
71.41027	0.2
79.05489	0.4
81.03452	0.2
89.03893	0.9
91.02977	0.1
94.39295	0.1
107.04961	0.4
109.02892	0.3
111.00822	0.3
111.04431	0.3
117.03403	1.1
125.02335	0.3
129.01857	0.2
133.93802	0.1
135.04422	4.8
137.02336	1.4
139.05408	0.1
145.06544	0.2
153.01825	12.5
157.06480	0.3
161.02315	1.3
171.02901	0.8
171.04201	0.2
175.03879	0.2
179.03465	0.6
185.05983	0.3
189.05354	0.2
203.03490	0.2
213.05443	0.6
241.04936	1.4
245.04547	0.1
247.60724	0.1
259.06104	0.3
269.04346	0.8
287.05490	100.0
288.05841	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
54.51310	0.1
60.32825	0.1
66.24553	0.1
67.01868	1.4
67.05510	0.1
68.99461	0.1
68.99792	1.3
69.07012	0.1
70.84800	0.2
70.85157	0.1
75.48977	0.1
79.05483	0.3
81.03434	0.2
83.01306	0.1
89.03901	0.7
91.05476	0.2
97.02915	0.1
104.39787	0.1
107.04953	0.3
110.78880	0.1
111.00813	0.3
111.04407	0.2
115.05469	0.1
117.03383	0.9
119.04952	0.2
125.02366	0.2
127.03856	0.1
128.06195	0.1
129.01819	0.4
135.04419	4.6
137.02382	1.1
139.05463	0.2
147.04382	0.8
153.01834	10.9
157.06512	0.3
161.02359	1.2
171.02898	0.8
171.04301	0.1
179.03406	0.4
185.05977	0.4
189.05487	0.1
195.04410	0.1
199.03880	0.2
203.03525	0.2
213.05432	0.5
214.12242	0.1
223.04114	0.1
223.06577	0.1
231.06422	0.1
241.04974	1.1
245.04399	0.2
259.06110	0.2
263.05698	0.2
269.04419	0.9
269.12839	0.3
287.05502	100.0
288.05820	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0541
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03952	0.1
55.01877	0.1
60.68926	0.0
63.02370	0.0
67.01864	1.9
68.99785	1.6
69.03415	0.1
70.75677	0.1
79.01851	0.1
79.05492	0.3
81.03426	0.1
81.07044	0.1
85.02898	0.0
89.03382	0.1
89.03912	1.0
95.04948	0.1
97.02882	0.1
102.51194	0.0
107.04939	0.4
109.02879	0.1
111.00814	0.2
111.04440	0.2
115.05460	0.1
116.98613	0.0
117.03374	1.0
117.07004	0.0
125.02358	0.2
127.03893	0.1
128.06241	0.1
129.01860	0.3
129.07010	0.1
135.04413	5.0
136.04683	0.0
137.02339	1.3
137.03351	0.1
139.05408	0.2
143.01236	0.0
143.04991	0.1
145.03955	0.1
145.06454	0.1
147.04422	0.1
149.02327	0.1
151.03925	0.1
153.01823	12.7
154.02153	0.1
157.06467	0.2
159.26443	0.0
160.85136	0.0
161.02339	1.4
167.04944	0.1
171.02884	0.8
171.04431	0.2
173.05984	0.1
179.03410	0.7
185.02466	0.0
185.05994	0.3
189.05484	0.1
195.04372	0.1
199.03873	0.2
199.58183	0.1
201.05475	0.1
203.03392	0.3
203.07088	0.1
213.05457	0.5
217.04919	0.1
218.05716	0.1
219.06494	0.2
223.04059	0.0
227.03430	0.1
231.06528	0.2
241.04953	1.4
245.04372	0.2
258.05219	0.1
259.06070	0.2
263.05481	0.1
269.04428	0.8
286.04672	0.1
287.05481	100.0
288.05807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0542
Annotation	Luteolin
Peak:m/z	Relative Intensity
55.01890	0.1
67.01871	1.7
68.99431	0.1
68.99791	1.2
69.60165	0.1
69.62692	0.2
69.63122	0.2
70.55179	0.1
79.05489	0.3
81.03423	0.1
81.07095	0.1
85.02939	0.1
89.03927	0.8
95.05014	0.1
97.02892	0.1
103.34895	0.1
107.01304	0.1
107.04961	0.3
109.02889	0.1
111.00798	0.3
111.04448	0.2
115.05488	0.1
117.03391	0.9
125.02366	0.2
127.03935	0.1
128.06293	0.1
129.01843	0.3
129.06953	0.1
132.05444	0.1
135.04420	4.3
137.02338	1.3
137.03380	0.1
139.05431	0.2
143.04926	0.1
147.04416	0.1
153.01831	11.9
157.06488	0.2
158.09207	0.1
161.02339	1.3
167.04944	0.1
171.02885	0.8
171.04391	0.2
173.05939	0.1
179.03452	0.5
185.05920	0.3
195.04445	0.1
199.03967	0.2
203.03407	0.2
213.05457	0.4
217.04903	0.1
219.06551	0.2
227.03391	0.1
231.06439	0.2
234.74194	0.1
241.04956	1.5
245.04417	0.2
259.06061	0.2
263.05618	0.2
269.04428	0.7
270.04816	0.1
286.04654	0.1
287.05499	100.0
288.05838	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Luteolin
Peak:m/z	Relative Intensity
50.78116	0.1
53.08567	0.1
57.03422	0.1
59.71537	0.1
67.01512	0.1
67.01870	1.7
67.05498	0.1
68.99792	1.4
69.03431	0.1
69.34578	0.5
73.72148	0.0
76.69666	0.1
79.05490	0.4
81.03416	0.2
81.07059	0.1
83.05000	0.1
85.02904	0.1
89.03922	0.8
91.01817	0.1
91.05486	0.3
93.07019	0.1
95.04955	0.2
97.02895	0.1
97.06577	0.1
98.97564	0.1
103.05460	0.2
105.03411	0.1
105.07030	0.2
107.04957	0.4
109.02868	0.1
109.06522	0.1
111.00829	0.3
111.04452	0.2
115.05434	0.1
115.57003	0.1
117.03376	0.8
119.04933	0.1
121.02869	0.1
121.06501	0.2
123.04378	0.1
124.07631	0.1
125.02340	0.3
128.06203	0.1
129.01846	0.3
129.07016	0.1
131.04936	0.2
135.04419	4.6
135.08046	0.3
137.02351	1.5
137.03392	0.1
137.05981	0.5
139.05453	0.3
139.43550	0.1
141.06871	0.1
143.03311	0.1
143.04924	0.1
145.06415	0.1
147.04436	0.2
148.07541	0.1
149.05972	0.4
151.07556	0.3
152.06216	0.2
153.01831	12.9
154.02223	0.1
157.06505	0.2
157.10268	0.1
161.02341	1.3
161.03545	0.1
161.05986	0.1
163.03874	0.1
163.07593	0.5
165.07039	0.2
165.09055	0.1
166.07811	0.2
167.04979	0.1
167.08559	0.8
169.06490	0.1
171.02905	0.7
171.04437	0.2
175.03706	0.1
175.07713	0.1
176.10707	0.2
179.03409	0.7
181.06480	0.1
185.05945	0.4
187.03865	0.1
189.05382	0.1
194.07370	0.1
195.08084	1.1
197.06018	0.2
199.03894	0.2
201.05443	0.1
203.03546	0.3
203.07069	0.1
209.09735	0.1
211.07585	0.1
212.08339	0.3
213.05434	0.5
217.04836	0.1
218.05812	0.1
219.06502	0.2
223.07683	0.3
227.03470	0.1
227.10635	1.2
229.04948	0.1
231.06525	0.2
240.07919	0.1
241.04958	1.3
244.03745	0.1
245.04457	0.3
255.10201	0.9
258.05295	0.1
259.06094	0.2
263.05527	0.2
269.04440	1.0
269.08984	0.1
286.04681	0.1
287.05496	100.0
288.05807	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.3
53.19540	0.1
55.01864	0.2
60.69126	0.2
65.03942	0.4
67.01842	0.3
68.99792	2.2
69.03442	0.8
69.94117	0.1
71.56810	0.3
79.01850	0.3
79.05493	0.7
81.03407	0.4
81.07040	0.2
82.06569	0.3
84.08144	0.2
84.53014	0.2
85.02899	0.3
91.05483	0.5
93.07061	0.3
95.04976	0.4
97.02888	0.6
97.06573	0.2
98.09662	0.2
103.05463	0.2
105.03394	1.0
107.04966	1.1
109.02867	0.8
111.00820	1.5
111.04416	0.2
115.05428	0.2
117.07029	0.2
119.04884	0.2
121.02874	6.4
121.03790	0.3
122.06039	0.4
124.07600	0.3
124.11224	0.5
125.02375	1.4
127.03940	0.3
128.06174	0.2
129.06999	0.3
133.02861	0.9
135.04395	0.4
136.07579	5.6
137.02333	2.2
141.07004	0.3
145.06487	0.6
147.04440	1.6
152.07042	0.4
153.01837	10.5
157.06471	1.4
159.16869	0.2
161.06006	0.5
164.07069	3.3
165.01848	3.3
171.03055	0.2
171.04379	0.8
175.03931	0.2
183.02930	1.4
184.05231	0.2
185.05995	1.1
189.05492	0.3
194.02280	0.2
197.05946	0.3
199.03958	0.2
201.05502	0.2
203.03404	0.2
203.07091	0.3
213.05490	2.8
216.04221	0.2
229.04962	0.4
231.06511	1.2
241.04977	1.5
243.06448	0.2
245.04442	0.2
258.05249	1.9
259.06186	0.7
269.04471	0.6
274.30472	0.2
287.05502	100.0
288.05823	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.6
55.05491	0.4
56.05050	0.3
56.96575	0.5
57.03445	0.5
68.05051	0.4
69.03429	0.9
70.06592	1.9
71.49518	0.4
72.08134	0.3
79.05489	0.3
80.04996	0.4
81.07031	0.6
82.06550	0.7
83.07339	0.5
84.08154	1.5
85.02895	0.6
94.06565	1.2
95.08648	0.3
96.08115	0.7
97.02895	0.4
98.82767	0.4
98.97595	0.4
106.06537	0.4
108.08115	1.0
110.09685	100.0
111.04453	0.4
111.10010	0.8
117.05799	0.4
120.08063	0.3
122.09691	1.2
124.07610	1.4
124.11261	0.3
127.03882	0.3
134.09651	0.9
136.07565	1.0
137.05962	0.7
138.05426	0.4
138.09145	13.2
141.10260	0.4
150.05498	1.2
150.09151	16.5
152.07082	1.3
152.10698	1.3
153.01845	0.9
162.09132	5.0
163.06279	0.5
164.10777	0.4
166.08640	3.8
167.09500	0.5
168.10210	2.3
170.11731	0.5
176.10736	1.0
178.08656	1.3
180.10199	1.8
190.08630	5.0
192.10320	0.6
196.09660	1.0
198.11246	1.1
204.10193	1.0
206.11635	0.4
208.09715	1.4
211.10820	0.4
222.11298	1.4
226.10817	4.9
232.09634	0.9
235.08365	0.7
240.12402	1.8
250.10760	25.0
258.13556	0.5
268.11792	13.4
286.12875	13.8
286.16272	0.9
287.05490	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
63.00042	1.1
63.28411	0.8
64.46260	0.8
67.05511	1.4
69.91010	3.9
70.10944	0.8
79.05483	1.1
81.07054	2.2
91.05482	2.1
93.07090	1.3
94.64915	0.8
95.08586	1.6
98.21371	1.4
98.98491	1.5
104.16573	0.9
105.07050	3.5
105.69754	0.8
107.08588	2.6
107.94702	0.8
117.07014	0.8
119.08603	5.4
121.10135	1.0
127.03899	1.0
130.07773	1.2
133.10146	4.7
143.08510	1.2
145.10147	5.3
147.11693	100.0
156.09334	1.5
157.10114	1.6
159.11685	3.5
169.10167	0.9
170.10928	1.1
171.11736	1.8
173.13264	1.5
183.11742	1.3
185.13268	1.7
197.13240	2.5
199.14851	1.5
203.76105	0.9
209.13307	1.0
211.14803	1.0
237.16451	2.5
242.05728	1.0
242.29077	0.9
252.18724	1.5
267.13763	0.9
267.21094	3.2
285.22128	19.4
285.29791	2.0
285.33292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2214
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
50.99957	0.2
53.03947	0.3
55.05505	1.2
56.97215	0.2
59.05001	0.3
67.05504	0.9
69.07069	0.4
69.51826	0.2
71.39088	0.4
71.85838	0.2
79.05489	0.7
81.07052	0.7
84.38757	0.2
90.68139	0.2
91.05472	1.5
93.07046	1.2
95.08611	1.5
98.98480	0.3
105.07030	3.6
107.08603	1.3
109.10148	0.9
115.05439	0.5
115.85199	0.3
117.07015	1.2
119.08580	3.5
121.10162	0.8
129.07010	0.7
130.07784	1.3
131.08571	1.8
132.09344	0.5
133.10130	3.8
142.07784	0.6
143.08592	0.9
144.09337	0.5
145.10129	4.6
146.10901	0.9
147.11687	100.0
148.12003	0.5
155.08615	0.5
156.09309	0.9
157.10167	1.4
158.10898	0.6
159.11688	2.9
161.13289	0.9
167.08636	0.4
169.10147	0.7
170.10919	0.9
171.11678	1.9
173.13245	1.7
182.10976	0.4
183.11714	1.0
184.12495	0.8
185.13275	1.9
187.14830	0.5
196.12508	0.4
197.13249	2.2
199.14810	1.8
201.01509	0.3
201.16406	0.3
209.13318	0.6
211.14865	0.7
213.16325	0.4
223.14633	0.3
224.15790	0.3
229.11989	0.3
237.16313	1.8
252.18730	1.7
267.20993	1.7
285.07587	0.4
285.22113	14.2
285.29825	0.8
285.33350	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2212
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
53.03934	0.2
55.05505	0.8
56.42604	0.2
57.03427	1.0
57.07076	0.4
57.89835	0.2
60.08163	0.4
63.20053	0.2
67.05505	1.3
69.07066	0.7
70.84322	0.2
71.05000	0.4
77.82128	0.2
79.05484	1.3
81.03427	1.7
81.07058	1.5
83.04987	0.3
83.08617	0.8
85.02903	1.2
85.77986	0.2
91.05479	2.3
93.07062	1.2
93.07558	0.2
95.04974	1.1
95.08618	1.7
97.06528	0.2
97.10174	0.5
98.20724	0.6
98.98465	0.2
105.07034	4.2
107.08616	1.4
109.06535	0.3
109.10185	1.0
111.08090	0.8
115.05515	0.3
117.06999	1.4
119.08578	4.0
121.10139	1.4
123.11676	0.4
128.06248	0.5
129.07014	0.8
130.07796	0.7
131.08569	2.0
132.09370	0.4
133.10139	3.9
141.06897	0.3
142.07756	0.5
143.08569	0.5
144.09332	0.5
145.10132	4.5
146.10876	0.9
147.11691	100.0
148.12027	0.8
149.09619	0.3
151.11201	0.3
155.08490	0.2
156.09328	0.8
157.10127	1.8
158.10889	0.3
159.11714	2.3
161.13243	0.7
163.11186	0.2
165.12816	0.3
169.10165	0.7
170.10933	0.7
171.11668	1.7
173.13255	1.7
175.11176	0.4
181.10097	0.3
182.10910	0.4
183.11661	1.0
184.12480	0.7
185.13242	1.6
187.14798	0.6
193.12247	1.8
195.11678	0.5
196.12469	0.5
197.13271	2.1
198.14008	0.3
199.14789	1.8
209.13295	0.3
210.13956	0.3
211.13254	0.8
211.14861	0.5
213.16444	0.6
223.14658	0.3
225.16389	0.3
237.16406	2.4
242.05710	0.2
252.18781	2.0
267.21094	1.9
275.60254	0.2
285.07614	0.3
285.16959	0.7
285.22137	18.9
285.33328	1.3
286.22345	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2213
Annotation	3-Oxo-abieta-8,11,13-triene
Peak:m/z	Relative Intensity
51.03234	0.3
55.05509	0.7
57.03455	0.4
67.05507	1.0
69.07050	0.5
69.55570	2.3
74.39117	0.3
78.00224	0.3
79.05489	0.6
81.07059	0.8
83.08668	0.5
91.05470	1.6
93.07042	1.1
95.08614	1.1
105.07031	3.9
107.08592	1.1
109.10142	0.4
117.07011	1.1
119.08575	3.7
121.10139	1.2
128.06151	0.4
129.07054	0.7
130.07805	1.0
131.08557	1.3
132.09419	0.3
133.10153	3.8
135.11635	0.3
142.07794	0.6
143.08578	0.8
144.09326	0.4
145.10126	4.0
147.11693	100.0
148.12036	0.8
151.64075	0.4
155.08640	0.5
156.09357	0.5
157.10141	1.8
158.10916	0.5
159.11705	2.6
161.13263	1.1
163.11111	0.5
169.10144	0.9
170.10915	1.1
171.11697	1.9
173.13283	2.0
182.10956	0.6
183.11707	1.0
184.12447	0.6
185.13219	1.9
187.14848	0.4
197.13300	2.0
199.14822	2.0
209.13309	0.5
211.14781	1.0
213.16455	0.6
223.14719	0.4
225.16348	0.3
237.16415	1.6
252.18742	2.1
267.20938	1.8
285.07889	0.4
285.22134	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	285.2212
Annotation	Vitexifolin C
Peak:m/z	Relative Intensity
53.03951	0.2
55.05513	1.3
55.05735	0.2
65.42395	0.2
67.05515	1.4
69.07069	1.1
69.65670	1.4
71.04980	0.2
73.96465	0.2
76.59817	0.2
79.05492	0.7
81.07075	1.1
83.08589	0.3
91.05472	1.7
93.07028	1.0
95.08614	2.4
97.10227	0.2
98.20718	0.2
98.77114	0.2
105.07026	3.4
106.24461	0.2
107.08588	1.8
109.10135	1.1
114.78615	0.2
115.05430	0.3
115.10958	0.2
116.09380	0.2
117.06975	1.3
119.08585	4.8
121.10172	1.0
123.11679	0.3
128.06213	0.8
129.06993	0.9
130.07817	1.0
131.08582	2.3
132.09399	0.4
133.10133	4.3
138.63945	0.2
141.07010	0.4
142.07809	0.9
143.08560	2.6
144.09349	0.4
145.10133	6.9
146.10887	0.5
147.11690	100.0
148.12048	0.9
154.07770	0.7
155.08534	1.3
156.09314	1.1
157.10149	2.2
158.10889	0.4
159.11691	2.7
161.13246	0.9
163.11105	0.2
165.12706	0.4
167.08589	0.4
168.09390	0.5
169.10135	6.1
170.10970	1.2
171.11664	2.2
172.12466	0.3
173.13289	1.9
175.11243	0.2
181.10164	0.5
182.10944	0.7
183.11687	2.3
184.12427	0.9
185.13278	2.2
187.14879	0.6
195.11684	0.4
196.12450	0.3
197.06116	0.2
197.13287	2.7
198.13953	0.4
199.14828	1.8
201.09058	0.2
209.13402	0.5
210.13977	0.5
211.14822	1.0
213.16325	0.5
215.10738	0.2
217.12228	0.2
222.14067	0.2
225.16536	0.4
237.16405	1.8
239.17953	8.2
240.18382	0.2
252.18747	2.0
267.21042	1.6
278.91553	0.2
285.18555	5.5
285.22156	16.7
286.22360	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03644	1.6
53.03942	4.3
55.01865	4.4
55.05254	2.0
55.05509	26.0
56.96548	5.3
57.03441	46.1
59.04980	1.9
60.54093	1.6
65.03934	2.4
67.05172	2.0
67.05508	40.4
69.03442	9.7
69.07067	12.7
71.05005	11.3
79.05496	37.8
81.03422	94.4
81.07060	54.0
83.04989	20.7
83.08624	36.8
85.02912	89.0
85.03403	2.5
85.06547	4.7
91.04958	2.6
91.05487	42.8
93.07047	28.4
95.04972	45.2
95.08616	17.6
97.02890	6.9
97.06516	7.2
97.10158	6.1
98.97576	4.1
98.98469	3.0
99.08073	2.5
103.05504	2.2
105.04527	1.7
105.07030	38.2
107.04930	4.8
107.08587	13.9
109.06499	7.9
109.10151	6.1
111.04446	5.5
111.08078	25.2
113.05987	7.4
115.05453	5.9
116.98572	3.9
117.06998	2.8
119.08590	30.8
121.06476	3.2
121.10144	17.6
123.08082	6.0
123.11705	6.0
125.09621	4.3
129.07008	15.0
131.08574	19.0
132.08163	2.4
133.06471	5.0
133.10159	14.6
135.07945	1.7
135.11713	2.2
137.05974	4.6
137.09621	3.5
142.07777	2.4
143.08495	3.7
145.10112	6.1
146.03622	5.6
147.08035	5.0
147.11705	26.1
149.09639	10.2
151.11243	2.2
153.01797	3.8
153.06985	3.2
154.07727	3.7
155.08578	2.3
157.10136	25.3
158.99672	2.5
159.11653	2.1
161.06017	19.1
161.09708	2.5
165.07013	30.6
165.12761	6.1
167.07030	4.2
167.08487	2.5
169.10097	2.5
175.11201	28.9
181.06450	5.9
182.07274	13.3
183.08046	2.5
183.11731	2.5
193.06522	25.5
193.12251	94.3
194.07318	2.7
195.08011	3.0
199.14696	2.0
200.02647	2.1
209.05946	2.8
210.06764	20.8
211.13295	86.1
221.05983	28.5
222.06526	1.7
225.09094	49.6
227.07068	2.2
238.06364	11.7
239.07153	3.6
239.11705	2.5
239.18053	2.5
243.11209	2.2
244.13376	5.3
253.08615	100.0
254.09186	6.3
255.06488	2.6
267.11206	3.1
270.08728	4.6
285.07614	4.8
285.11215	61.0
285.16870	59.5
285.22131	6.8
285.29810	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03909	2.9
55.01855	5.5
55.05280	3.2
55.05512	27.0
57.03182	3.8
57.03439	52.5
57.07067	10.4
60.08163	5.9
67.05161	3.6
67.05507	39.8
68.14075	2.6
69.03431	6.2
69.07077	14.8
71.05005	14.4
71.08646	5.8
71.62231	4.3
79.05494	42.6
81.03423	84.7
81.07059	61.2
82.62763	2.5
83.04986	19.8
83.08615	33.8
85.02907	84.7
85.06541	4.3
91.05485	59.4
93.07046	34.5
95.04975	38.6
95.08608	31.0
97.02876	5.6
97.06527	4.0
97.10178	4.5
105.06373	3.3
105.07040	40.8
107.04949	7.7
107.08591	15.6
107.63162	3.1
109.06518	8.8
109.10163	11.0
111.04413	6.4
111.08092	26.5
113.06016	6.6
119.08585	34.4
121.06537	3.7
121.10154	17.4
123.11691	6.0
125.09593	3.8
129.07008	16.3
131.08563	18.2
133.10179	19.0
137.09589	6.6
142.07796	5.7
143.08638	3.5
145.10132	7.3
147.08110	3.7
147.11676	36.7
149.09602	10.3
157.10141	22.5
165.12775	6.5
169.18039	3.3
175.11188	29.0
183.98621	2.6
193.12245	100.0
211.13316	67.1
239.18094	2.9
261.58304	2.7
284.33124	10.7
285.07510	6.6
285.16901	62.1
285.24286	8.0
285.29761	4.9
285.33264	17.6
297.01218	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.5
55.01868	5.1
55.05516	35.0
57.03178	4.1
57.03441	59.1
65.03906	3.2
67.05510	48.6
68.19800	2.4
69.03418	7.3
69.07061	11.9
71.05003	12.4
79.05496	39.9
81.03421	93.1
81.07059	54.2
83.04996	23.3
83.08622	34.4
85.02908	95.1
85.06544	2.5
91.05482	56.2
93.07052	26.4
95.04976	50.0
95.08581	18.5
97.02907	5.4
97.06561	6.1
97.10169	4.1
105.07030	38.5
107.04940	7.0
107.08611	13.4
109.06524	10.6
109.10185	6.0
111.04451	5.4
111.08085	20.4
113.06001	9.9
118.95288	2.8
119.08585	39.3
121.10149	18.2
123.08054	4.3
123.11687	6.8
129.07016	14.7
131.08563	12.2
133.06406	3.1
133.10138	18.9
137.09651	2.8
142.07788	7.1
145.10165	4.0
147.08047	4.3
147.11696	34.8
149.09605	8.5
157.10130	25.0
165.12785	4.2
173.09045	2.9
175.11200	26.8
193.12247	100.0
211.13303	76.2
227.17636	3.0
285.16953	58.5
285.22067	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.4
55.01870	2.9
55.05513	32.5
55.05773	3.0
55.37724	1.6
57.03440	55.8
59.04994	2.3
61.16874	1.8
62.40700	1.7
67.05506	43.9
69.03417	6.4
69.07074	13.7
71.04994	10.9
79.05492	40.2
81.03423	97.9
81.07058	49.4
83.04991	19.9
83.08624	40.1
85.02908	93.1
85.06566	3.7
89.10174	1.9
91.05487	57.8
93.07048	29.9
94.90476	1.7
95.04979	43.7
95.08612	19.4
97.02882	3.2
97.06534	10.2
97.10170	4.9
98.66895	2.0
99.08115	2.2
105.07037	35.7
107.04961	7.9
107.08599	13.6
109.06541	6.0
109.10167	6.0
111.04453	7.0
111.08083	21.9
113.06021	6.6
115.05462	2.1
115.64915	1.7
117.07012	3.1
119.08582	30.5
121.10144	16.2
122.24077	1.7
123.08070	5.5
123.11726	4.8
125.09613	3.1
127.54543	1.7
129.07014	16.5
131.08586	16.6
133.10139	16.5
142.07735	2.6
145.10210	2.5
147.08081	5.7
147.11684	31.9
149.09590	10.4
157.10127	20.3
165.12769	8.4
175.11179	31.0
193.12254	100.0
202.72118	1.8
211.11276	3.7
211.13298	74.9
267.10147	3.2
285.07715	2.6
285.16953	55.3
285.22250	4.6
285.33566	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.3
55.01875	4.1
55.05513	32.0
56.96574	1.9
57.03437	55.6
57.07066	3.8
59.31068	1.7
60.08163	5.2
62.81490	1.7
62.87653	1.7
65.03944	2.3
66.85377	2.0
67.05507	49.3
69.03424	6.5
69.07077	15.4
71.05000	11.1
71.62256	2.4
79.05494	39.5
81.03420	89.9
81.07059	57.2
83.04978	19.9
83.08129	3.1
83.08621	43.1
85.02907	93.6
85.06534	6.9
91.05476	50.3
91.97883	1.9
93.07043	30.7
95.04971	41.5
95.08606	30.5
97.02916	4.7
97.06551	9.3
97.10172	7.0
99.08101	2.5
105.07027	43.3
107.04959	7.9
107.08595	17.0
109.06528	8.1
109.10167	12.2
111.04453	6.1
111.08085	24.7
113.06013	7.9
119.08588	36.3
121.10148	26.5
123.08041	6.8
123.11727	5.5
125.09651	2.2
128.06261	2.3
129.07001	16.7
131.08569	20.1
133.06528	4.6
133.10121	24.3
135.11664	2.6
137.09514	2.1
142.07796	3.8
143.08524	4.1
145.10162	7.6
147.08054	5.0
147.11690	34.8
149.09595	11.2
157.10135	27.6
159.11646	3.7
165.12772	6.8
169.10077	4.4
169.90228	1.8
171.11613	2.7
175.11205	32.9
175.14833	4.6
177.16435	7.3
183.27806	1.8
189.16376	2.8
193.12248	100.0
211.11292	3.6
211.13292	69.8
215.17998	3.4
226.26009	1.9
239.17902	5.5
257.03348	2.7
284.33054	5.7
285.07382	4.4
285.16861	60.2
285.22177	6.1
285.25708	19.9
285.30276	3.4
285.33344	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	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01876	2.6
55.05514	15.8
57.03179	1.7
57.03442	26.4
57.07083	1.7
60.70527	1.1
61.91655	1.1
62.23734	1.1
63.00035	2.4
65.03918	1.1
67.05508	20.2
69.03436	2.6
69.07074	7.1
69.37129	3.1
69.37539	5.8
71.04990	6.6
71.40988	1.0
75.37363	1.0
76.92816	1.1
79.05498	17.9
81.03423	48.1
81.07062	26.0
83.04981	10.5
83.08622	19.2
85.02910	45.5
85.06539	1.5
89.55900	1.1
91.05484	26.1
93.07048	17.1
95.04978	20.5
95.08621	11.2
97.02924	2.3
97.06523	3.5
97.10207	2.5
99.08064	1.6
104.39614	1.1
105.07040	20.5
107.04971	3.2
107.08598	6.5
109.06538	4.8
109.10167	3.8
111.04471	1.5
111.08077	9.3
113.06013	4.2
115.05478	2.4
116.06200	1.2
117.07056	2.6
119.08581	16.3
121.06528	1.4
121.10136	7.2
122.12704	1.2
123.08083	2.6
123.11723	3.0
125.06024	1.3
129.07050	9.0
131.08574	10.5
133.06529	1.2
133.10130	10.6
135.04427	7.4
137.09650	1.3
142.07773	1.8
143.08554	1.5
145.10178	5.5
145.11179	1.1
147.08104	2.4
147.11696	100.0
149.09633	5.5
151.11163	1.2
157.10162	11.7
159.11691	4.1
161.13268	1.1
163.11276	1.7
165.12779	5.3
169.10164	2.2
171.11728	2.5
173.13284	2.0
175.11201	13.1
183.11559	1.2
184.12512	1.5
185.13316	2.0
193.12256	45.4
197.13374	2.4
199.14745	1.5
211.13295	37.7
211.15219	2.0
239.17914	2.6
252.18658	1.8
267.21246	2.9
270.07980	1.1
285.11093	1.8
285.16910	28.7
285.21994	18.7
285.25345	2.3
285.29260	1.5
297.15683	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1123
Annotation	Mollugin
Peak:m/z	Relative Intensity
67.05551	1.2
69.07128	0.9
71.05036	0.6
71.61124	0.6
71.61529	0.8
79.05563	1.2
81.07114	0.6
84.08198	0.8
85.70759	0.5
86.09740	0.7
91.05535	1.2
95.05027	0.8
97.02924	1.0
98.98565	0.6
103.05526	0.6
105.07101	2.1
110.09766	2.1
111.71090	0.6
115.05508	1.4
117.03413	0.7
121.02933	0.8
123.04487	0.8
131.04906	0.9
133.06541	1.6
137.06052	1.7
139.39651	0.6
146.03635	4.0
152.06174	0.7
153.01945	0.8
153.07068	2.0
154.07860	2.4
161.05983	15.9
165.06998	30.3
166.07835	0.8
168.05746	0.8
177.07050	1.0
178.07860	0.6
179.08763	0.8
181.06476	5.0
182.07285	8.8
183.07991	0.8
192.05696	1.3
193.06477	22.3
194.07249	2.4
197.09636	1.2
203.03316	0.6
208.09526	0.7
209.06091	1.7
210.06744	17.6
211.07576	1.7
221.05981	30.6
222.06760	2.8
225.09100	40.4
227.06958	1.4
238.06244	9.1
239.07050	2.2
239.11862	0.8
253.08598	100.0
254.09311	4.8
255.06551	1.3
257.00677	1.1
265.62683	0.6
268.11771	0.9
269.08154	0.9
270.08734	4.0
285.00415	1.0
285.11172	39.0
286.12454	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45614	2.6
53.03945	6.2
55.01873	44.0
55.05255	4.9
55.05514	74.8
56.96563	8.5
57.03176	4.9
57.03442	64.4
57.07072	5.9
58.30402	2.8
59.05001	9.4
62.48357	2.8
65.03954	3.4
67.05505	43.8
69.07069	19.6
70.13060	12.2
71.01357	5.3
71.04633	3.4
71.04978	16.7
79.05497	60.6
81.03423	36.4
81.07059	70.2
83.01342	38.8
83.04527	4.6
83.04980	45.8
83.08629	41.0
85.02906	9.9
85.06515	6.2
91.05489	45.5
93.07055	81.6
95.04963	24.8
95.08611	26.2
97.02902	4.8
97.06537	15.8
97.10171	6.0
98.97585	4.7
99.04454	14.4
99.08101	5.2
105.07046	34.1
107.04962	28.2
107.08596	39.6
109.06544	22.0
109.10184	8.4
111.04433	18.5
111.08097	7.5
116.98623	6.6
117.07027	26.6
119.08588	28.0
121.06556	16.4
121.07259	2.7
121.10145	29.5
123.04401	3.3
123.08087	33.3
123.11703	3.5
125.06006	7.1
125.09652	5.4
128.06175	3.0
129.05542	3.2
129.07019	5.8
130.07784	4.4
131.08578	12.5
133.10156	11.3
135.08060	6.8
135.11710	45.5
137.09645	3.3
139.07568	3.0
143.08569	7.5
145.10143	52.8
147.08112	3.8
153.12730	17.2
155.08598	6.8
163.11198	79.9
168.04184	5.5
171.11737	4.5
173.09618	16.1
181.12175	18.0
187.14835	5.1
191.10689	15.7
197.06117	4.6
209.11752	21.4
211.07562	3.7
227.10742	7.1
227.12860	12.4
240.07832	10.6
251.02798	3.3
251.07089	7.0
251.16234	3.3
267.06525	4.7
268.07346	8.1
283.09692	100.0
283.15366	89.6
283.20502	7.0
283.23938	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	283.154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.7
55.01870	4.9
55.05293	1.0
55.05513	12.7
57.03437	11.8
57.07064	2.8
63.29493	0.9
64.49134	1.0
65.03933	1.3
67.05502	20.2
69.03426	2.2
69.07063	8.1
69.55593	3.4
69.55997	2.6
71.04981	3.9
71.05577	1.0
73.02926	1.3
73.94996	0.9
79.05492	33.1
81.03419	4.3
81.07054	21.4
83.04973	6.9
83.08617	12.0
85.02911	1.1
85.06551	1.2
89.06022	1.9
90.45022	0.9
91.05477	10.0
93.07047	43.1
95.04964	7.1
95.08607	40.7
97.02901	4.7
97.06514	5.5
97.10178	1.9
99.04453	4.3
103.05443	1.3
105.07032	10.9
107.04959	10.5
107.08595	29.7
109.06515	2.8
109.10150	4.2
111.04453	2.7
111.08083	1.0
116.98611	0.9
117.07031	11.5
119.08584	12.3
121.06524	6.5
121.10146	17.1
125.05990	4.0
125.06842	1.0
129.07031	1.7
130.07765	3.1
131.08606	2.0
133.10156	3.9
135.08051	2.4
135.11693	51.4
139.07518	1.2
145.06570	1.2
145.10123	32.7
147.08023	1.1
153.12706	2.2
155.08629	1.3
163.11182	70.9
172.95297	1.3
173.09648	2.4
178.24318	1.0
181.12230	17.0
181.13686	1.8
189.81226	0.9
209.11751	3.4
227.12775	100.0
282.99612	0.9
283.15375	23.6
283.20413	2.1
283.23816	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.1
55.01876	39.0
55.05254	5.8
55.05513	88.2
57.03175	4.8
57.03440	65.6
57.07085	6.5
59.05005	14.9
65.03945	3.4
67.05511	48.5
69.03418	4.6
69.07068	18.0
69.31142	28.3
71.01350	4.7
71.05003	18.2
71.08641	3.7
72.33320	3.0
79.05503	73.3
81.03423	42.6
81.07068	63.7
82.65916	3.3
83.01347	41.5
83.04991	50.1
83.08626	47.6
85.02899	12.6
85.06566	4.0
89.06028	30.1
91.05485	46.2
93.06455	5.3
93.07047	93.8
95.04980	22.0
95.08623	33.7
97.02862	5.2
97.06519	16.8
97.10152	6.9
98.20726	7.7
99.04465	10.0
99.08097	3.5
105.07031	36.7
107.04980	22.1
107.08601	47.9
109.06509	21.6
109.10175	9.9
111.04447	13.5
111.08112	7.1
115.05396	4.4
117.07025	31.2
119.08595	31.9
121.06504	11.3
121.10168	37.1
123.08092	33.4
125.05956	8.9
129.07007	9.7
130.07767	5.3
131.08592	9.5
133.08603	9.7
133.10126	8.3
134.93971	2.9
135.08055	8.0
135.11702	45.6
137.09581	5.7
143.08591	4.7
145.06479	6.0
145.10136	58.9
147.08081	6.7
147.11674	3.9
153.12746	12.0
155.08473	4.0
159.11652	4.6
163.11197	100.0
173.09601	14.5
181.12234	14.3
191.10677	10.3
209.11728	33.5
211.52028	2.8
227.12752	13.0
233.12482	2.9
283.15448	95.5
283.20129	14.9
283.24252	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	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03949	9.1
54.38200	1.5
55.01625	1.8
55.01872	41.4
55.05513	68.9
57.03440	64.4
57.07057	7.5
59.05003	13.1
67.05167	2.8
67.05508	46.1
69.03420	5.0
69.07069	18.2
71.01336	5.1
71.04996	9.5
71.36975	3.1
72.55360	1.9
79.05496	70.8
79.74366	2.1
81.02979	2.3
81.03420	34.3
81.07059	64.6
83.00884	3.0
83.01342	45.6
83.04983	41.5
83.08620	40.7
85.02924	11.6
85.06544	4.8
89.06013	5.0
90.62651	1.7
91.04957	3.4
91.05477	39.7
93.07047	81.7
95.04971	21.7
95.08609	29.6
97.02874	7.2
97.06533	17.4
97.10162	5.3
99.04427	7.1
99.08047	2.1
100.49496	1.7
105.04523	2.3
105.07029	28.5
107.04961	27.6
107.08598	39.4
109.06524	20.2
109.10160	9.0
111.04448	13.7
111.08051	8.8
111.11680	2.0
113.09687	2.2
115.05431	2.2
117.07025	28.9
119.07775	2.2
119.08574	27.7
121.06493	10.5
121.10133	31.0
123.04404	3.0
123.08067	27.7
125.05946	5.9
125.09606	4.9
129.07024	2.7
130.07747	5.0
131.08557	10.7
133.10115	6.8
135.08072	9.7
135.11697	43.5
137.09561	5.2
139.03889	2.1
143.08557	6.0
145.06427	3.5
145.09009	3.4
145.10115	51.4
147.08023	7.6
149.05963	2.1
149.09554	1.7
153.12738	15.0
155.08501	5.4
157.10124	2.6
163.11189	99.6
171.11607	2.5
173.09634	13.5
175.12379	2.2
177.57426	1.7
181.12251	14.9
191.10709	11.3
209.11720	26.9
227.12788	16.0
283.15384	100.0
283.20483	4.4
283.24042	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03932	8.6
54.34500	2.8
55.01657	3.1
55.01870	34.9
55.05262	4.5
55.05511	67.4
57.03440	57.7
57.07081	4.9
59.04991	11.3
65.03932	3.2
67.05505	41.0
69.03424	5.0
69.07052	14.5
71.01357	4.7
71.04984	8.0
79.05493	58.8
81.03420	30.7
81.07056	53.5
83.01347	37.7
83.04981	51.1
83.08191	3.1
83.08622	30.7
84.22800	2.2
85.02898	8.6
89.06042	6.1
90.32481	2.3
91.05478	40.4
93.07048	66.5
95.04974	16.1
95.08607	23.9
97.02885	7.5
97.06532	14.9
97.10119	2.7
97.12601	2.2
99.04453	7.9
103.05431	2.5
105.07034	27.4
107.04947	27.0
107.08594	39.3
108.87985	2.4
109.02855	3.0
109.06531	19.0
109.10131	7.0
111.04432	10.7
111.08069	6.2
117.07010	22.7
119.08588	26.7
121.06500	11.4
121.10144	23.8
123.08076	23.8
125.06007	4.1
125.09585	4.0
129.06995	4.3
131.08557	9.6
133.10130	4.1
135.08113	6.0
135.11693	45.1
137.09593	4.0
145.06458	3.5
145.10123	44.5
147.08096	4.4
149.09624	3.7
153.12772	13.9
155.08562	7.0
163.11191	76.1
173.09645	9.7
181.12196	16.1
191.10715	13.2
209.11746	22.0
211.77982	2.6
227.12756	19.6
283.15405	100.0
283.20358	4.9
283.24127	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84076	2.5
53.03939	8.2
55.01874	45.3
55.05256	6.1
55.05510	81.0
56.96576	3.7
57.03437	69.0
57.07054	7.5
57.78701	2.8
59.04992	9.7
67.05164	4.1
67.05506	56.8
69.03422	5.1
69.07077	17.9
69.55677	22.1
71.05006	18.7
73.37868	2.7
79.05492	76.0
81.03425	37.8
81.07059	76.8
83.01334	39.6
83.04980	51.7
83.08621	40.7
85.02905	15.2
85.06532	4.5
89.06046	3.9
91.04951	4.0
91.05486	52.6
93.07046	94.5
95.04971	31.7
95.08604	33.0
97.02888	10.0
97.06543	19.2
97.10168	9.9
99.04447	7.3
99.08115	2.9
103.05483	3.5
105.07026	38.0
107.04969	30.0
107.08597	38.5
109.06522	27.7
109.10155	11.9
111.04425	13.7
111.08082	7.1
115.05452	2.9
117.07034	28.6
119.08581	39.9
121.06474	10.6
121.10152	40.2
123.08070	27.5
125.06002	4.8
125.09732	4.7
129.07007	7.0
130.07773	6.3
131.08566	12.7
133.10110	7.7
135.08061	4.5
135.11691	53.3
137.09615	5.4
143.08534	4.6
145.06509	5.4
145.10127	59.8
147.08055	7.6
147.11743	11.0
149.09732	4.5
153.12704	16.6
155.08525	5.7
163.11186	100.0
173.09711	15.6
181.12260	19.9
185.13191	4.5
191.10591	13.8
196.55803	3.3
209.11734	32.7
227.12747	26.4
283.15256	93.6
283.20563	7.3
299.78671	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	283.1541
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
52.97143	2.8
53.03933	10.1
54.17836	3.3
55.01878	42.6
55.05262	4.9
55.05516	79.4
57.03187	3.0
57.03447	56.4
57.07062	9.8
58.41504	2.9
59.04992	9.9
67.05515	49.8
69.03443	4.1
69.07079	16.5
71.01334	3.1
71.04974	12.8
79.05054	4.2
79.05500	76.6
81.03428	32.3
81.07060	62.7
83.01349	42.9
83.04993	46.5
83.08633	44.0
85.02894	9.4
85.06549	3.3
86.51767	2.6
89.06033	4.1
91.04955	4.1
91.05485	52.7
93.07058	90.2
95.04970	24.3
95.08611	38.7
96.99793	2.6
97.02877	7.2
97.06549	15.9
97.10147	6.4
99.04428	9.5
103.05413	3.6
105.07037	32.2
107.04962	25.1
107.08596	51.6
109.06516	22.0
109.10171	9.7
111.04448	10.3
111.08076	9.1
117.07027	27.8
119.08579	26.8
121.06514	11.1
121.10157	27.6
123.08077	27.0
125.06022	5.3
125.09606	5.3
129.06982	9.0
130.07736	4.5
131.08595	13.6
133.10176	8.8
135.08054	7.7
135.11714	44.3
143.08589	6.7
145.06531	4.2
145.10132	55.2
147.08107	3.1
147.11731	16.6
153.12717	17.4
155.08572	6.4
157.10181	4.6
161.24368	2.7
163.11205	94.2
173.09671	14.7
173.13423	5.6
181.12238	25.1
185.13208	3.0
187.80504	3.0
191.10687	9.9
209.11752	22.5
227.12828	24.5
248.53513	2.8
265.59171	2.8
283.15427	100.0
283.20566	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74436	1.0
53.03939	2.1
55.01877	6.0
55.05510	12.9
57.03220	1.1
57.03439	12.1
57.07062	1.4
65.03946	1.1
67.05505	20.2
69.03452	2.3
69.07079	8.0
71.04982	4.1
73.02914	1.8
79.05495	29.5
81.03436	2.9
81.07056	25.7
83.04987	6.6
83.08609	9.0
85.06572	2.0
89.06033	2.9
91.05487	9.6
93.07047	40.3
95.04971	7.1
95.08610	38.4
97.02907	3.1
97.06532	5.0
97.10161	1.8
99.04465	4.4
103.05444	1.1
105.07024	9.3
107.04956	12.5
107.08591	30.3
109.06496	3.6
109.10150	2.9
111.04417	3.0
117.07032	8.8
119.08581	13.2
121.06499	7.1
121.10142	16.3
123.08129	1.3
125.05999	3.1
130.07793	3.3
131.08514	1.4
133.10132	2.7
135.08070	3.4
135.11694	52.9
135.94756	1.1
137.59444	1.2
139.07492	1.1
145.06483	1.1
145.10129	30.5
147.11694	1.5
163.11194	68.1
172.95113	1.4
173.09569	2.1
181.12233	16.7
208.67818	1.1
209.11783	1.7
227.12781	100.0
228.13103	1.7
245.00925	1.1
283.15433	21.8
283.20416	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	283.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00319	0.1
53.03952	1.5
55.01856	0.6
55.05504	0.2
55.29689	0.1
56.96570	0.3
57.03434	1.0
60.77746	0.2
61.02922	0.4
65.03941	3.0
67.05498	0.3
68.99767	0.3
69.03066	0.3
69.03436	6.1
71.01355	0.3
71.03540	0.5
71.04996	1.0
73.02910	0.5
75.78709	0.1
79.05492	0.2
81.03422	13.8
81.07059	0.4
83.08627	0.2
85.02911	5.0
85.03421	0.4
87.04433	0.2
90.03416	0.3
91.03787	0.2
93.03417	0.2
93.07042	0.2
95.04977	4.6
95.08576	0.2
97.02895	3.2
99.00069	0.1
99.04468	1.6
105.04525	0.2
106.46184	0.2
109.02888	6.3
111.04441	2.0
116.98711	0.2
121.02876	100.0
121.03821	3.1
122.03223	0.7
126.01070	3.2
127.01413	1.3
127.03932	2.0
128.00777	0.6
128.02682	0.2
129.03003	0.2
131.08569	0.3
135.08041	0.2
139.03909	6.4
145.05011	0.3
153.01839	0.3
160.37714	0.2
165.07201	0.2
165.11107	0.2
166.62567	0.2
183.12221	0.3
199.64145	0.2
229.00296	0.2
265.07101	8.1
283.05853	0.4
283.08255	0.4
284.05374	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.70206	0.2
55.01882	0.4
55.05504	1.0
56.96553	1.0
57.03434	1.5
61.02908	0.6
62.75982	0.2
65.03948	2.6
67.05509	0.7
68.99787	0.3
69.03430	4.7
69.07073	1.4
69.36951	2.2
71.04990	0.5
73.02924	0.4
79.05492	0.4
81.03423	7.0
81.07053	1.4
83.04977	0.4
83.08617	0.7
85.02906	4.9
90.65260	0.2
91.05487	0.7
93.07037	0.7
95.04976	6.8
95.08615	1.1
97.02897	2.3
97.10180	0.4
98.97568	1.5
99.04468	0.8
99.90246	0.2
105.07041	0.7
107.08578	0.7
109.02884	3.3
109.10145	0.8
111.04449	2.1
116.98610	0.6
119.08582	0.6
121.02872	100.0
121.10155	0.7
122.03169	0.6
123.08065	0.2
123.11738	0.4
125.09616	0.3
127.03934	1.3
128.98560	0.3
133.10135	0.4
135.11726	0.5
139.03911	7.3
147.04439	0.4
152.06177	0.3
153.01895	0.4
158.99655	0.4
162.28282	0.2
165.06946	0.3
169.10107	0.3
177.00710	0.3
183.41736	0.2
191.03951	0.7
194.07156	0.3
200.04509	0.8
206.58109	0.3
223.07602	0.3
224.08530	0.3
237.03075	0.3
255.10286	0.3
261.11310	0.2
265.07025	3.4
283.09561	1.3
283.12711	0.4
283.17410	0.3
283.20334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.1
53.70206	0.2
55.01882	0.4
55.05504	1.0
56.96553	1.0
57.03434	1.5
61.02908	0.6
62.75982	0.2
65.03948	2.6
67.05509	0.7
68.99787	0.3
69.03430	4.7
69.07073	1.4
69.36951	2.2
71.04990	0.5
73.02924	0.4
79.05492	0.4
81.03423	7.0
81.07053	1.4
83.04977	0.4
83.08617	0.7
85.02906	4.9
90.65260	0.2
91.05487	0.7
93.07037	0.7
95.04976	6.8
95.08615	1.1
97.02897	2.3
97.10180	0.4
98.97568	1.5
99.04468	0.8
99.90246	0.2
105.07041	0.7
107.08578	0.7
109.02884	3.3
109.10145	0.8
111.04449	2.1
116.98610	0.6
119.08582	0.6
121.02872	100.0
121.10155	0.7
122.03169	0.6
123.08065	0.2
123.11738	0.4
125.09616	0.3
127.03934	1.3
128.98560	0.3
133.10135	0.4
135.11726	0.5
139.03911	7.3
147.04439	0.4
152.06177	0.3
153.01895	0.4
158.99655	0.4
162.28282	0.2
165.06946	0.3
169.10107	0.3
177.00710	0.3
183.41736	0.2
191.03951	0.7
194.07156	0.3
200.04509	0.8
206.58109	0.3
223.07602	0.3
224.08530	0.3
237.03075	0.3
255.10286	0.3
261.11310	0.2
265.07025	3.4
283.09561	1.3
283.12711	0.4
283.17410	0.3
283.20334	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0812
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.0
54.77391	0.1
55.01873	0.7
55.05503	0.2
56.96550	0.6
57.03428	0.6
61.02918	0.4
65.03642	0.2
65.03946	2.8
67.05501	0.4
67.96659	0.1
68.99790	0.2
69.03068	0.3
69.03432	4.9
69.07080	0.3
69.93011	0.8
70.06577	0.2
71.01357	0.3
71.04983	0.5
71.08620	0.2
73.02902	0.2
75.15745	0.1
79.01870	0.4
79.05489	0.3
81.03419	8.5
81.07049	0.7
83.04963	0.2
84.96033	0.2
85.02907	5.2
91.05463	0.2
93.03365	0.3
93.07026	0.4
95.04973	5.5
95.08612	0.6
96.08947	0.1
97.02893	2.0
98.20663	0.2
98.97584	1.2
99.03904	0.2
99.04456	0.9
105.04503	0.2
105.07021	0.2
107.08635	0.3
109.02885	3.7
109.06521	0.3
109.10149	0.8
111.04449	2.3
116.98634	0.4
119.08580	0.2
121.02872	100.0
122.03198	0.8
123.08085	0.3
123.69389	0.2
126.01065	0.7
127.01450	0.4
127.03907	1.1
128.00818	0.2
128.98601	0.2
135.11690	0.3
137.09683	0.3
139.03905	8.2
143.03447	0.2
147.08092	0.1
151.11180	0.2
152.11505	0.2
153.01846	2.4
154.02174	0.8
163.11189	0.2
178.04950	0.3
193.15866	0.4
194.16229	0.3
203.10733	0.2
205.12260	0.4
210.99104	0.3
229.00278	0.4
241.00380	0.2
244.99748	0.2
259.01297	0.4
265.07077	3.6
265.09799	0.3
283.01190	0.3
283.08359	0.3
283.10141	0.5
283.13400	0.2
284.01511	0.2
291.60046	0.3
301.02271	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96547	3.1
57.07059	1.4
66.63270	0.9
69.03423	1.6
69.07063	1.6
69.55627	0.9
70.09921	3.6
71.04985	1.0
75.05447	1.0
79.01849	1.6
79.05505	1.2
79.06091	0.9
81.03408	2.2
81.07024	2.0
84.08147	1.7
84.96013	1.3
93.07045	1.2
95.04958	0.9
98.21445	0.9
98.97574	3.1
116.98633	1.7
121.02869	11.1
123.07945	2.4
124.11222	1.3
132.38953	1.0
133.08582	1.3
135.08061	1.0
139.03860	1.1
143.03427	1.2
153.01828	14.6
154.02139	1.5
183.03355	0.9
208.97586	1.0
219.01729	1.1
244.99634	1.8
283.07883	100.0
283.20700	1.8
283.23663	1.5
284.08075	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.7
55.01860	0.8
55.05507	1.8
56.05033	3.4
56.96571	3.6
57.03435	1.3
57.07063	1.0
61.02922	2.6
61.66547	0.5
67.05505	3.9
69.03438	3.6
69.07056	1.4
70.06588	1.6
71.05002	3.0
71.60496	1.0
73.02913	0.8
74.55020	0.5
76.97356	0.5
79.01848	0.7
79.05489	1.6
80.04998	1.1
81.03415	1.9
81.07060	1.7
82.06576	5.1
83.08644	0.6
84.08144	14.1
84.96021	0.6
85.02900	5.7
85.06541	4.1
91.03963	0.6
91.05495	1.7
93.07043	1.8
94.06573	1.2
95.04977	0.8
95.08621	1.2
96.08130	1.2
97.02888	3.0
97.06561	2.1
98.09738	0.6
98.97573	3.3
99.04532	0.7
103.07600	0.6
105.07050	2.9
107.08584	0.9
108.08125	0.5
109.02862	1.2
109.10167	1.5
110.09712	1.0
110.97536	0.8
114.09169	2.2
116.98643	1.8
119.08591	1.4
120.08108	5.7
121.06509	1.4
121.08458	0.7
121.10123	0.9
122.09671	1.7
124.11288	1.5
124.22137	0.5
127.03923	6.5
127.11211	1.4
128.04216	0.5
128.98653	0.7
129.07005	0.5
131.08568	1.7
132.08115	1.1
133.08844	0.8
133.10191	0.8
134.09669	2.1
134.99664	0.7
135.11780	0.7
136.07622	1.0
136.11176	0.8
138.09203	1.0
143.03448	1.0
145.04970	1.3
145.08952	0.8
145.10143	1.2
146.09665	1.7
148.07568	0.9
148.11211	7.2
149.05916	0.5
150.07738	4.2
150.08899	0.7
150.12827	1.0
152.10818	0.7
153.01846	8.1
153.02956	1.2
158.09653	0.7
159.10466	1.0
160.11211	3.1
161.08392	1.5
162.09171	0.7
164.10750	1.3
165.11504	2.0
166.12289	7.4
167.46985	0.6
168.13846	0.7
172.11160	0.9
174.09137	3.6
175.07668	1.0
176.10719	16.4
176.14255	0.6
177.00781	0.7
178.12291	1.3
182.99687	1.2
184.11157	0.5
185.03008	1.6
186.09120	0.6
187.09947	0.9
188.07155	0.8
188.10663	1.1
192.10304	0.9
193.11009	1.9
194.11778	4.0
194.15388	3.2
200.10703	1.2
201.00748	1.9
202.08665	1.2
202.12257	5.4
204.10208	62.2
205.10661	0.9
206.11916	1.1
206.15401	9.0
216.10168	5.7
216.11694	0.5
218.05772	0.8
218.11935	0.8
219.01724	1.0
220.13397	1.5
220.17068	1.0
222.11360	1.3
222.18553	0.7
224.16463	53.5
236.12909	1.7
239.07735	1.5
240.04880	0.7
244.99693	1.6
246.11209	4.3
263.00803	2.2
264.06323	1.0
264.12262	3.2
264.19510	6.3
281.32242	0.7
281.98947	1.5
282.13440	59.3
282.17160	5.5
282.20584	100.0
283.13766	0.7
283.21011	1.2
293.10913	0.7
300.06335	0.6
303.01263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
55.01866	2.5
56.96560	3.1
57.03422	6.4
59.58585	1.7
61.02676	1.4
61.02928	13.3
61.34081	1.8
69.03426	16.5
70.25610	5.6
71.04986	3.1
73.02901	4.0
73.99837	1.7
81.03402	7.5
85.02905	87.1
85.06551	15.6
91.03941	6.7
97.02905	19.3
98.97578	10.0
99.04443	3.7
109.02888	4.9
116.98598	2.8
120.08089	6.3
121.06544	2.0
127.03912	23.9
132.08121	1.7
133.08929	1.9
145.03888	2.7
145.04965	42.5
146.09627	3.4
147.45149	1.6
148.07573	1.8
148.11215	8.2
150.07736	7.0
150.09058	2.6
153.01848	2.4
158.09625	2.7
160.11214	3.5
161.08376	3.3
163.06026	10.4
163.07181	1.9
165.11470	3.2
166.12242	3.2
167.41493	1.7
174.09129	3.7
176.10710	28.0
190.29672	1.7
193.10953	2.4
194.11771	5.6
200.10713	3.4
201.05229	3.1
202.12251	9.0
204.10205	100.0
216.08539	1.7
216.10168	9.1
220.13240	2.7
224.16501	4.7
229.10719	5.4
246.11356	5.0
264.12192	2.0
282.13367	80.4
282.20587	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	282.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30830	0.6
54.59009	0.6
55.01847	0.9
57.03447	0.7
59.59918	0.7
59.71123	0.5
61.02932	3.4
69.03429	2.6
70.41731	0.7
70.42074	1.2
72.02573	0.6
73.02910	0.8
80.02404	0.6
81.03412	0.7
85.02915	3.6
91.05481	0.7
97.02897	1.6
98.97595	5.5
105.07015	1.3
110.01298	0.7
111.02051	0.9
116.98617	1.1
119.01797	1.2
120.02611	1.2
120.08121	6.5
121.06518	0.8
124.11233	0.5
124.91326	0.6
127.03953	1.3
128.02362	0.8
129.03125	1.9
131.08566	1.7
132.08087	1.5
133.06483	1.0
133.08858	2.1
134.09639	1.3
144.08107	0.7
145.06448	0.6
145.08888	1.1
145.32567	0.6
146.02318	1.0
146.09651	2.5
147.08055	0.6
147.10431	1.3
148.07574	1.4
148.11205	7.9
149.05963	1.6
149.09637	1.4
150.07761	8.8
150.08957	1.2
156.03670	1.2
158.09654	2.7
158.99635	1.7
159.08061	0.7
160.11240	4.3
161.01202	1.0
161.08365	2.7
161.09601	0.6
161.11937	0.8
162.03618	0.8
162.09119	0.9
164.10762	0.9
165.04111	0.6
165.11488	2.9
166.12257	1.7
170.01477	0.6
171.04147	1.4
172.11198	1.6
174.09177	8.4
174.12775	1.5
175.09909	0.6
176.10707	24.6
177.11301	0.9
178.12329	1.0
179.02335	1.2
181.54880	0.6
184.11272	1.1
186.09114	1.2
187.09961	2.3
188.07050	0.9
188.10747	2.6
189.05521	0.7
189.07834	1.0
190.08571	0.7
192.04642	7.6
193.10991	1.7
194.11755	4.6
200.10722	2.7
201.05215	6.4
201.09184	1.4
202.08632	2.8
202.12273	8.2
203.07053	2.7
204.10210	88.9
205.10594	1.2
206.11882	0.7
216.10201	11.0
217.08681	1.1
218.11823	1.1
220.13396	1.5
221.03191	1.1
222.11279	3.9
224.16422	1.4
234.11276	0.7
239.04424	3.5
246.11237	6.6
264.12366	8.5
281.05478	2.4
282.13370	100.0
282.20361	2.0
283.13638	1.2
283.80991	0.6
286.98761	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	0.5
53.26318	0.4
54.03481	0.4
55.01878	0.9
55.05521	1.4
55.53917	0.3
56.96569	1.1
57.03428	0.7
65.03944	0.9
67.05506	1.7
69.03439	1.0
69.07066	0.6
70.06609	0.6
71.61665	0.8
73.02930	1.8
79.05505	0.9
81.03431	1.4
81.07066	1.0
82.06584	3.0
84.08158	3.5
85.02914	0.9
85.68375	0.4
90.03445	4.4
91.04252	0.4
91.05489	1.0
93.07053	1.3
94.06573	1.2
95.04983	0.9
95.08645	0.6
96.08144	1.5
97.02927	0.9
97.08930	2.9
98.09726	0.7
98.97604	2.9
98.99990	1.8
105.07030	0.9
107.08601	0.7
108.08146	0.7
109.02917	1.2
109.10226	0.6
110.06046	0.7
110.09697	1.4
116.98622	1.2
119.08541	0.4
121.02870	7.7
121.03689	0.6
121.06509	0.5
121.10139	0.4
122.06040	0.9
122.09644	0.6
124.07595	1.2
124.11237	46.7
126.01078	74.5
126.12809	2.4
127.01405	0.7
128.02628	4.9
131.03386	0.5
131.25806	0.4
134.09665	1.2
136.07599	0.7
136.11221	5.0
137.06006	3.4
138.05484	0.7
138.08209	0.6
138.09137	3.9
139.03862	0.4
140.07123	0.8
142.96025	0.4
144.02147	1.7
146.09598	0.5
147.04425	0.5
150.09131	2.6
151.09941	1.2
152.10713	100.0
153.01822	2.0
153.11162	1.2
154.12267	0.7
155.03705	2.2
158.99608	0.5
162.09175	1.1
163.07614	0.5
164.10721	31.1
165.05522	0.6
166.07347	0.8
166.08643	12.9
167.09065	0.3
176.10672	0.5
177.00771	0.6
178.08583	0.5
178.12270	0.8
180.10214	2.7
181.10980	6.9
182.11775	17.6
183.12018	0.4
184.13374	0.6
190.08684	2.4
190.12199	0.4
191.08537	2.2
192.10223	3.1
196.13297	1.2
198.11285	0.4
206.12012	0.4
208.13345	1.4
210.11263	2.6
218.11710	1.3
219.08044	1.6
220.13341	1.1
222.07509	0.4
222.18661	0.4
223.18927	0.8
224.12750	2.0
224.19182	1.4
234.11267	0.8
236.08620	0.4
236.12822	4.8
246.11273	0.9
251.10710	1.8
253.02951	0.5
254.13828	2.4
264.12314	14.0
264.15088	0.8
265.07092	0.4
270.39502	0.4
282.05673	8.6
282.13315	21.9
282.20453	1.2
282.23386	3.5
282.27856	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20869	0.5
53.03952	0.6
55.05507	1.2
56.96560	0.9
67.05501	0.8
69.03432	1.8
70.06583	0.7
71.31226	0.5
71.61431	0.9
72.98466	0.6
79.05493	1.3
79.48611	0.5
81.03427	1.7
81.07079	0.7
82.06593	2.5
84.08149	2.3
85.02876	1.0
85.25482	0.5
90.03448	5.2
91.04234	0.7
91.05462	0.9
93.07044	1.3
94.06568	5.0
94.23244	0.5
95.04964	0.9
95.08593	0.6
96.08126	0.7
97.02908	0.6
97.08899	0.9
98.09707	1.9
98.97576	1.8
99.00018	2.8
108.08131	2.5
109.02895	1.2
110.06008	0.9
110.09700	0.7
118.58472	0.5
119.08569	1.2
120.04445	0.6
121.02874	6.3
121.06490	0.9
122.06025	2.9
122.09694	1.0
124.07604	0.8
124.11234	27.3
126.01073	97.5
126.12756	1.0
127.01373	0.8
127.03961	0.7
128.02649	6.8
134.09668	2.4
136.07594	3.9
136.11218	13.7
137.05992	1.0
138.05495	0.5
138.09145	1.4
139.03856	0.9
140.07086	0.8
143.00072	0.6
144.02121	1.5
149.08371	0.9
150.09166	2.1
150.43579	0.5
152.10698	13.1
153.01819	1.4
154.12256	1.5
155.03741	3.5
162.09128	0.9
164.10719	71.6
165.05315	0.6
165.11098	0.7
166.07292	1.0
166.08609	5.1
168.10237	0.7
179.09476	0.5
180.10146	2.8
181.10974	5.6
182.11772	100.0
183.12134	1.2
184.13312	1.2
190.08618	0.7
190.12251	0.7
192.10201	1.6
208.13329	1.2
210.11172	0.5
218.11768	0.9
236.12738	3.6
246.11214	0.9
246.29120	0.5
254.13905	5.0
258.65036	0.5
264.12326	17.5
282.05606	13.4
282.13358	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Mortivinacin C
Peak:m/z	Relative Intensity
51.35364	0.4
53.13922	0.4
56.29075	0.4
56.96564	1.4
61.02925	2.8
69.03424	1.5
70.06556	0.6
70.38911	1.5
85.02892	1.1
91.05486	1.3
93.07005	0.5
94.06558	1.1
98.97580	4.8
105.07032	1.5
116.98624	1.2
117.07008	0.5
120.08105	7.5
121.06506	1.4
122.09659	0.6
127.03884	0.8
128.98541	0.6
131.08560	1.4
132.08102	2.0
133.08865	1.4
134.09601	1.0
138.09145	0.7
144.08084	0.5
145.08931	0.9
146.09636	2.8
147.08025	0.8
148.07607	0.9
148.11218	7.4
149.05984	1.0
149.09622	1.0
150.07774	5.9
150.08997	0.8
150.12770	0.7
153.01846	1.4
158.09682	2.4
160.11214	4.5
161.01259	0.7
161.06084	0.5
161.08376	3.2
161.11919	0.7
162.09129	0.9
164.10703	1.0
165.11484	3.3
166.08687	0.6
166.12276	1.8
172.11230	1.2
174.09158	6.9
174.12782	1.0
176.10713	28.8
177.11441	0.8
178.12227	0.8
184.11211	0.7
186.09122	1.4
187.09930	1.9
188.07088	1.8
188.10718	1.8
189.05447	0.8
189.07819	0.8
192.10188	1.1
193.10992	2.7
194.11772	6.8
200.10710	2.1
202.08594	2.2
202.12259	7.9
203.07050	1.6
204.10208	100.0
205.10580	1.4
216.10213	10.9
217.08641	0.8
218.11719	0.9
220.13361	1.2
222.11252	3.5
228.10175	0.9
234.11200	0.6
236.12944	0.5
236.72234	0.5
246.11279	5.8
247.02304	0.5
254.13737	0.7
264.12378	3.9
282.13370	82.1
283.13702	1.3
303.01346	1.8
304.01636	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1337
Annotation	Harzianopyridone
Peak:m/z	Relative Intensity
52.89500	0.2
55.01864	0.4
55.05516	1.1
57.03435	1.2
59.76692	0.3
67.05514	0.7
69.03436	1.0
69.49312	1.9
70.06590	0.4
73.02891	0.4
77.81590	0.2
79.05485	0.7
81.03431	0.3
81.07050	0.3
82.06585	4.2
84.08150	0.7
85.02907	1.6
91.05476	0.5
93.07014	0.4
94.06588	1.0
95.04965	0.4
96.08141	1.6
97.08920	0.7
98.09685	1.0
101.02383	0.3
105.07013	0.5
108.08112	1.4
109.06511	0.3
110.06067	0.3
110.09679	0.3
111.04429	0.4
117.07020	0.2
119.08538	0.4
120.08092	0.4
121.06488	0.3
122.06044	0.3
122.09664	1.2
123.10469	0.4
124.11232	100.0
125.09649	0.3
125.11587	1.0
127.03890	0.3
127.47289	0.2
129.06979	0.3
134.09654	1.8
136.07552	1.7
136.11205	1.7
136.72659	0.3
137.08336	0.3
138.09154	2.0
140.07054	0.7
146.09709	0.3
147.09138	0.4
148.07579	0.6
148.09491	1.0
148.11256	0.6
149.08418	0.4
150.05597	0.2
150.09146	3.5
151.09941	1.3
152.10709	54.3
153.01811	0.4
153.10966	0.3
154.12265	0.3
162.09175	1.2
162.12788	0.6
163.09914	1.3
164.07077	6.1
164.10716	26.6
165.11090	0.4
166.08641	1.6
166.12271	0.5
168.10258	0.6
175.07574	0.3
176.10674	2.1
178.08644	0.4
178.12268	0.4
180.10199	8.4
181.11034	1.7
182.11754	1.5
188.10767	0.3
190.08611	1.5
190.12306	1.8
192.10175	2.1
193.08627	0.3
194.11784	2.0
204.10118	1.4
206.11795	1.1
206.51759	0.3
208.09645	0.3
208.13293	0.9
210.11230	1.0
210.30025	0.3
218.11797	2.0
220.09720	2.3
220.13243	0.5
222.07686	1.3
222.11249	0.4
224.16508	0.3
227.86555	0.3
234.11278	0.5
236.12787	2.2
238.21600	0.3
240.08656	0.7
246.11237	1.8
249.09935	0.9
254.13878	7.7
264.12308	23.5
282.13315	43.3
283.13663	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98642	0.6
56.96569	10.2
71.58895	1.0
71.95266	2.8
98.97587	100.0
101.00876	0.8
116.98629	65.4
119.01933	1.9
126.05830	0.4
134.99661	31.4
137.02975	0.5
140.00191	1.3
153.00726	3.8
158.01268	1.4
177.00961	2.1
177.66234	0.4
179.00737	0.9
201.00912	0.6
212.44475	0.5
216.98682	0.9
219.01999	9.6
220.02126	1.8
234.99846	1.4
236.98604	3.4
240.98561	4.3
258.99765	52.5
260.00070	1.0
277.00803	68.4
278.00925	0.9
282.01392	1.8
282.22260	1.6
283.00015	1.4
299.98959	0.8
300.02396	2.2
300.05939	0.6
301.01059	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	281.2839
Annotation	6,10,14-Trimethyl-2-methylenepentadecanal
Peak:m/z	Relative Intensity
52.68027	1.9
53.03944	3.1
55.01875	4.2
55.05254	2.2
55.05512	37.5
56.96560	8.6
57.03421	4.0
57.07075	72.2
59.04996	2.5
67.05507	42.8
69.03419	5.0
69.07070	77.4
71.04989	6.3
71.08633	55.5
71.61242	3.4
79.05489	18.1
80.76237	2.0
81.03419	5.7
81.07059	100.0
81.88184	2.1
83.04967	5.1
83.08127	3.0
83.08623	53.6
85.02903	5.0
85.06549	19.6
85.10182	21.0
91.05467	19.2
93.07044	17.7
95.04951	4.2
95.08607	88.8
97.02895	4.6
97.06522	4.6
97.10177	40.7
98.97588	17.8
99.08100	15.3
99.11742	2.1
105.07051	10.7
107.04976	2.4
107.08573	8.2
109.02859	2.6
109.06543	4.1
109.10161	56.9
111.08163	1.9
111.11716	23.8
113.09663	4.8
114.21404	2.4
116.98607	9.1
117.07000	2.5
119.04947	39.4
119.05929	2.3
119.08572	7.5
121.06393	1.8
121.10130	7.0
123.08032	1.9
123.11717	33.4
124.11209	3.5
125.09628	2.3
125.13264	7.6
126.01081	3.9
126.74693	1.7
127.03927	4.2
127.11223	2.9
129.07086	2.4
131.08578	3.5
133.10120	6.4
135.08063	3.1
135.11679	4.2
137.05959	4.0
137.13242	20.0
139.14818	2.4
140.10741	3.3
141.09082	1.8
142.93779	1.9
143.00182	2.7
145.10110	2.4
147.04401	7.0
147.08025	2.5
147.11667	4.9
149.02357	3.0
149.13300	2.1
150.02657	1.9
151.14809	7.6
157.10089	2.8
158.99672	2.2
161.01195	3.0
161.09575	2.5
161.13255	3.7
163.11108	2.5
165.06952	1.8
165.09116	2.0
165.16400	6.1
167.07101	2.6
168.13965	2.2
193.19562	3.4
207.21126	1.9
239.04349	4.7
263.09152	3.2
263.21030	3.4
263.27368	5.6
281.05225	2.2
281.11514	6.5
281.19128	3.4
281.22241	9.9
281.28375	59.3
282.28876	2.6
295.72559	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	281.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07060	60.7
59.04988	14.4
63.04476	41.5
67.05486	23.7
69.03410	34.5
69.07081	28.0
74.56290	14.9
76.91533	17.9
79.05484	16.5
81.03387	21.0
81.07031	17.3
85.02879	34.7
91.05457	52.3
95.08572	27.6
97.02853	20.6
97.05317	18.5
98.21491	35.6
98.97565	60.6
99.70981	14.7
105.07030	31.0
108.36324	16.0
109.02885	23.1
115.05475	15.1
119.08569	30.3
119.10723	74.7
127.03870	18.7
133.10124	16.6
137.02324	20.4
147.09167	33.6
153.01814	19.3
196.60013	18.2
267.99606	16.7
272.10904	31.7
281.05368	27.4
281.14938	100.0
281.17596	16.0
281.22171	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	281.1496
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
53.03935	0.4
57.03437	2.7
61.02920	1.2
61.95024	0.2
69.03432	4.0
70.98533	0.6
71.01352	0.6
71.04985	1.1
73.02914	0.7
75.04469	0.5
81.03409	0.4
87.04472	0.4
93.07051	0.3
98.97581	0.4
99.04447	1.0
105.83189	0.3
112.93906	0.3
120.08126	0.6
124.32023	0.3
132.06863	1.2
136.06184	2.0
145.07623	0.5
146.08386	0.7
147.09174	87.5
148.09450	0.5
149.56958	0.3
159.09203	0.5
162.04169	1.4
281.14969	100.0
282.15308	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03472	1.8
55.04254	2.5
56.85192	0.4
56.96565	0.9
70.03152	1.7
81.04543	13.2
81.07047	0.6
82.05326	8.6
84.08149	0.6
95.08630	0.5
98.97593	3.1
105.07039	0.4
108.05613	0.7
110.07166	0.4
110.97583	1.0
116.98616	0.9
122.07156	20.6
123.07939	100.0
124.11205	0.7
125.09583	0.6
128.98615	0.9
136.06189	1.1
140.10718	0.7
146.82712	0.3
146.99721	0.5
150.12817	0.4
160.04294	1.3
162.04172	0.5
165.07722	6.6
199.88695	0.4
239.04399	1.2
267.00128	0.4
281.10684	68.3
281.22348	1.1
282.10809	0.9
299.06226	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.2274
Annotation	Stemaphylline
Peak:m/z	Relative Intensity
55.19978	0.4
56.96565	1.6
58.06588	1.0
67.05495	1.4
69.03419	0.4
69.07063	1.0
69.32039	3.1
70.06595	4.9
71.27158	0.3
79.05495	1.0
81.07053	2.3
84.08138	1.4
84.96027	0.4
91.05480	2.7
93.07047	0.7
95.08582	0.9
96.08151	0.4
96.32907	0.3
98.97577	1.0
99.16827	0.3
100.07627	0.4
105.07030	1.6
107.08599	1.1
116.72486	0.4
117.06989	0.8
119.04943	1.3
119.08572	1.6
121.10117	0.8
122.09626	0.4
126.12705	0.3
131.08578	3.5
144.13882	0.4
145.10136	0.9
147.04451	2.5
147.11696	6.0
148.04794	0.5
149.02354	1.2
150.02681	0.9
153.01839	1.3
154.02206	0.4
163.03929	0.5
173.13274	3.4
191.14307	0.6
204.17517	1.4
213.07997	1.4
222.18538	54.7
223.18846	0.6
231.08997	1.7
244.99663	0.5
257.06995	1.8
275.08090	1.1
280.22726	100.0
281.23074	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.0849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07668	0.9
54.03456	1.3
57.03427	1.5
57.33834	1.0
69.03430	3.1
69.74246	0.9
70.02962	30.6
73.01151	1.9
74.00665	4.1
75.02705	1.8
85.02911	16.3
89.87683	1.1
91.65287	0.9
97.02906	2.6
98.21531	2.0
100.02219	2.8
101.77800	1.0
109.02892	2.5
118.03250	100.0
127.03906	1.8
136.06238	1.4
145.04936	1.3
149.02356	4.0
150.02699	2.5
157.94807	1.1
163.03929	1.3
195.27034	1.2
218.55768	1.1
225.96729	1.2
280.11865	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	279.2317
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03949	1.3
55.01867	1.2
55.05513	8.0
56.96566	1.6
57.03424	0.9
57.07070	9.4
65.03925	3.2
66.97961	0.5
67.05503	100.0
67.12344	0.6
69.07069	11.2
69.61402	3.9
71.04991	1.6
71.08625	1.1
79.05492	14.3
81.07056	98.9
83.04983	1.0
83.08612	7.1
85.06539	1.5
86.12875	0.6
89.37663	0.6
91.05478	5.9
93.06458	1.1
93.07044	15.6
93.32041	0.5
95.05028	0.9
95.08606	81.0
97.06528	2.3
97.10159	3.8
98.97587	5.5
99.08082	0.7
105.07023	5.4
107.08600	9.7
109.06582	1.2
109.10153	53.0
110.97569	0.7
111.04419	0.6
111.08088	1.1
111.11707	0.7
113.06078	0.7
116.98626	2.5
117.07029	1.7
119.07830	0.9
119.08588	4.8
120.37828	0.5
121.02867	2.7
121.10146	8.6
122.10525	0.8
123.08067	1.6
123.11703	27.2
127.07542	0.9
128.98637	1.2
131.08574	4.0
133.10129	2.7
134.99619	0.9
135.08052	1.4
135.11696	5.3
137.09576	1.7
137.13264	11.1
145.10150	4.5
147.11668	3.3
149.02339	51.7
149.09639	1.8
149.13220	3.2
151.11188	1.5
151.14864	3.8
153.01805	0.8
153.09149	0.9
158.99667	1.6
159.11646	2.8
161.13264	2.5
163.11130	1.5
163.14822	3.1
165.12767	0.9
167.10690	1.5
170.99536	0.6
173.05148	0.6
173.13260	3.2
175.14822	0.7
177.00690	3.5
177.12785	1.8
179.14389	1.0
181.12265	1.2
187.14793	4.1
189.00668	1.4
191.14273	1.5
193.52852	0.5
195.11826	0.6
195.13805	2.0
200.02388	0.6
201.16385	1.1
205.08566	0.7
205.15891	1.3
207.01750	1.1
209.13445	1.2
209.15399	2.5
219.05644	1.4
219.21083	1.5
223.16910	2.8
232.75945	0.6
237.18520	1.0
243.21051	2.6
256.98926	0.7
261.22137	5.4
277.25748	0.6
279.04645	0.6
279.09354	2.2
279.20236	2.7
279.23206	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	279.0934
Annotation	Triphenylphosphine oxid
Peak:m/z	Relative Intensity
51.56970	0.2
51.80381	0.3
53.03949	1.5
57.07082	1.3
69.07059	0.5
69.53984	1.8
74.74142	0.2
77.03975	0.8
77.76387	0.2
81.07042	0.3
81.96497	0.2
93.07030	0.3
95.00497	0.8
95.04415	0.2
95.04952	1.3
95.08581	0.7
98.20784	0.5
98.97572	0.9
105.04496	0.3
110.97565	0.3
116.98633	0.5
119.07623	0.2
121.02835	0.3
122.99997	0.3
128.06216	0.9
128.98589	0.2
129.06993	0.9
133.02080	0.5
141.01001	0.9
149.02357	8.5
154.07764	0.8
158.99675	0.4
170.99570	0.3
171.03607	2.4
173.05165	7.8
177.00699	0.4
183.03545	1.3
189.00703	0.5
201.04648	25.9
202.05173	0.2
219.05708	56.1
220.06105	0.5
226.90955	0.2
242.07399	0.4
279.09341	100.0
280.09644	1.9
299.66891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0477
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07106	6.0
58.43933	5.4
70.06589	7.3
71.60226	9.3
81.03413	7.1
82.06572	6.8
84.08144	100.0
91.39486	6.0
97.02847	6.9
98.97572	22.1
101.00875	16.3
103.00633	10.4
119.01949	13.4
121.01685	11.3
124.11254	9.4
128.07089	15.3
130.08641	31.3
134.03316	5.7
147.03117	6.2
154.24484	6.3
175.04602	10.2
180.10201	23.1
210.14949	11.4
223.06601	8.2
225.06400	13.6
225.12396	6.9
243.13452	15.4
279.04834	84.6
279.07394	10.0
279.15549	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	279.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98615	0.6
56.96562	9.7
57.07068	1.1
70.21504	2.1
71.95269	1.2
98.97586	100.0
104.99268	2.7
110.96812	1.1
110.97573	21.4
116.98624	41.2
120.97951	0.7
128.98613	19.3
131.00131	0.8
134.99657	11.5
140.00224	4.2
140.98538	0.7
143.00052	0.8
146.99667	7.1
149.01167	0.8
149.02341	12.1
152.00208	1.3
153.00735	1.1
158.01212	1.1
158.99661	37.9
160.97543	1.0
170.99655	14.6
177.00717	41.2
182.99654	1.2
183.99196	0.7
188.98982	1.1
189.00716	21.8
195.01837	1.7
200.02286	4.2
201.00728	3.3
207.01756	11.6
212.02351	1.2
219.01764	5.9
230.03337	1.5
232.96112	1.1
237.02834	7.4
249.03076	0.9
255.03848	1.9
278.96902	1.1
279.03909	5.5
297.04965	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1025
Annotation	N-Hydroxyannomontine
Peak:m/z	Relative Intensity
55.01876	0.3
57.92172	0.3
59.67775	0.3
69.31072	2.5
79.05491	0.3
101.50675	0.3
103.05507	0.4
120.08160	0.3
130.06523	0.7
141.07053	0.4
142.06532	0.4
144.08075	1.0
145.06493	1.8
145.08864	0.8
147.04425	0.5
147.06407	0.3
148.04782	0.3
148.07547	1.2
149.02271	0.8
153.01842	0.4
154.06496	0.7
155.07281	0.6
156.08018	0.3
158.03082	0.4
158.09645	0.6
159.06758	0.5
160.07599	0.6
167.07259	0.7
168.08110	1.8
169.08426	0.5
170.06007	0.3
170.09674	1.4
171.06744	0.5
172.07588	3.4
173.08348	1.1
174.05501	3.5
174.09161	0.6
176.04269	0.7
176.07108	0.8
183.06772	0.6
184.07567	1.0
186.02693	0.4
186.09187	1.8
186.10678	0.4
187.09479	1.1
188.04454	1.4
188.07062	7.4
189.07858	5.3
190.08656	0.4
196.07578	3.8
197.08360	0.5
198.05472	0.4
198.09134	1.5
199.06277	0.5
200.07092	2.9
201.07852	1.3
204.03720	0.5
204.06577	0.9
214.02103	0.8
214.08636	7.6
214.10672	0.5
216.06561	23.1
217.07336	7.2
218.08176	2.7
224.07005	0.4
225.07948	0.5
227.05724	1.7
228.06442	0.7
230.08119	2.1
231.02869	0.4
232.03229	4.6
232.09795	0.3
233.04631	0.3
241.07455	0.4
242.01608	0.6
242.08101	14.1
243.08470	0.4
250.10840	0.4
260.02835	5.6
260.09180	25.0
278.03857	14.5
278.10229	100.0
279.04160	0.4
279.10596	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89551	2.8
53.03925	4.1
55.05516	12.0
56.96566	23.7
57.03428	9.3
57.07077	36.2
58.07392	2.7
58.99596	4.4
61.02911	8.0
65.03945	3.7
67.05509	30.3
68.12829	2.4
69.03440	16.8
69.07057	6.4
70.06326	9.7
71.04998	4.1
72.08167	2.5
73.02913	11.1
73.06548	6.6
79.05501	2.2
81.03413	6.5
83.05002	2.8
84.04485	5.1
84.08152	18.4
84.96031	4.9
85.02911	48.9
85.06556	31.9
86.03247	4.0
86.06056	3.8
86.99062	3.3
87.04479	3.7
94.06554	4.3
94.49856	2.4
95.04958	2.4
96.08163	5.6
97.02905	16.9
98.06076	6.1
98.97588	84.4
99.04444	7.7
99.97928	3.0
101.00776	3.4
102.05501	2.8
102.09187	10.1
104.03969	2.3
105.15348	2.3
109.02868	5.9
110.01317	3.6
110.97562	14.0
112.07615	30.5
116.01743	3.7
116.07098	6.2
116.98623	26.1
119.01814	5.7
122.09687	6.0
123.67867	2.7
124.99129	2.6
126.12772	3.8
127.03933	8.1
128.02348	3.7
128.98592	10.6
130.06537	20.7
131.00191	2.7
134.99646	7.8
138.09114	4.6
140.07091	26.4
140.10667	3.2
140.98584	3.4
143.00186	8.0
144.98068	3.5
145.01740	4.5
145.04950	7.0
146.04150	3.9
146.99658	4.1
147.03264	10.2
148.09697	24.2
149.02357	10.1
152.04059	2.7
153.01854	7.0
153.03040	3.3
154.02147	3.1
154.03961	4.5
155.04659	69.5
155.54800	3.7
156.10165	5.9
157.07616	30.9
158.06042	4.9
158.99670	38.2
159.09227	2.6
161.01289	3.0
161.04637	12.7
161.64049	2.4
162.99132	2.4
163.02785	6.5
164.05226	16.1
165.04364	5.9
166.55475	3.3
168.10184	6.5
170.99643	8.1
175.08646	4.6
177.00725	29.3
182.03378	5.8
185.07146	11.1
186.11310	6.7
188.04263	5.8
189.00732	4.6
189.04337	6.1
190.10715	2.7
197.03729	2.4
197.05676	4.9
201.00797	4.3
204.03748	9.4
206.06299	7.7
207.05266	3.0
214.02246	4.8
214.10739	11.0
214.14305	3.2
216.03777	3.4
219.01743	27.0
219.05139	2.5
227.06810	38.1
227.56970	2.9
231.02815	3.1
231.05464	4.1
232.03252	27.7
232.11809	17.9
233.06766	4.8
234.08035	10.6
235.06451	5.0
236.07367	12.0
236.11206	5.2
237.02794	23.5
239.04417	3.8
242.01662	5.5
255.01614	3.9
260.02731	36.1
260.10269	25.0
260.28461	2.9
278.03796	100.0
278.10034	16.2
289.05896	2.5
291.07477	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	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03937	3.9
55.05511	30.3
56.96553	5.5
57.03426	2.4
57.07079	10.6
59.04989	3.4
61.48065	2.0
65.03938	4.3
67.05217	2.3
67.05509	24.7
69.03427	17.9
69.07066	21.5
71.01311	1.9
71.04996	12.1
71.42274	2.0
71.61737	2.6
79.05497	29.2
81.03416	7.6
81.07059	54.3
83.04977	14.1
83.08174	1.9
83.08598	9.6
85.06527	10.3
87.56180	1.5
91.05469	16.1
93.06450	3.6
93.07044	57.4
95.04965	6.6
95.08036	2.6
95.08607	39.7
97.02866	1.7
97.06512	6.3
97.07098	2.1
97.10162	2.8
98.97596	4.3
99.04443	2.6
103.05448	4.9
105.07032	26.5
107.04950	5.3
107.08599	47.0
109.06514	17.0
109.09445	2.7
109.10154	41.7
111.08082	8.8
113.09634	13.1
116.98683	2.5
117.07027	3.2
119.04929	2.1
119.08578	33.4
121.02883	4.1
121.06501	6.2
121.10144	51.1
123.08064	10.9
123.11712	19.5
125.09629	8.4
129.07025	3.0
131.04924	6.2
131.08560	11.2
133.06523	2.7
133.10136	36.4
135.08070	7.0
135.11703	31.6
137.05971	2.3
137.09613	18.5
137.13240	3.6
139.11189	10.3
143.08585	4.9
145.10127	14.5
147.04315	3.5
147.08012	4.3
147.11707	15.5
149.02342	100.0
149.09630	12.3
149.13208	12.3
151.11185	37.0
153.01761	3.9
157.10127	5.9
158.99692	2.0
159.08012	2.5
159.11694	13.2
161.09631	4.7
161.13232	14.3
163.11188	2.8
163.14827	2.7
165.12790	6.4
171.11639	4.1
173.13258	6.3
175.03992	2.5
175.11250	3.8
175.14842	22.1
177.12833	2.7
179.14369	2.3
185.13284	8.2
187.03935	12.2
189.12766	7.3
189.16356	2.5
193.15887	6.6
199.14772	2.5
201.16354	15.2
203.03433	3.7
203.06990	3.5
203.14308	10.1
206.07269	2.3
213.01836	3.2
213.46436	1.8
215.03387	12.0
217.12146	3.2
217.15941	4.5
217.19524	2.4
219.13576	1.9
231.02959	14.3
234.06700	2.0
235.17014	3.2
241.01277	3.1
241.19595	8.2
259.02402	23.6
259.20618	14.5
277.03448	59.8
277.08710	6.2
277.14499	5.6
277.18323	6.4
277.21634	73.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2164
Annotation	coniferonic acid
Peak:m/z	Relative Intensity
51.69672	0.8
53.03949	6.3
55.01865	1.5
55.05265	1.2
55.05511	15.6
56.96554	1.1
57.07061	3.0
63.25055	0.9
65.03931	1.7
67.05505	32.4
69.06767	1.0
69.07078	12.5
69.52243	6.4
71.04987	1.9
71.08635	1.0
77.03919	1.5
79.05495	80.9
81.07058	35.4
83.04973	2.0
83.08617	8.5
85.06498	1.5
91.05484	29.9
93.07047	100.0
95.04967	7.2
95.08608	25.7
95.20853	1.1
97.06526	1.7
97.10183	4.6
105.04517	2.9
105.07026	13.7
107.08596	52.2
109.06518	1.5
109.10146	11.9
111.08056	1.2
116.86871	0.8
117.07016	2.1
119.08568	10.8
121.10147	45.3
123.08070	1.7
123.11687	3.9
127.07571	1.0
128.06200	1.1
129.06996	2.2
131.08597	4.0
133.10118	11.7
135.08125	1.0
135.11699	49.4
139.11040	1.0
143.08557	2.3
145.10124	4.2
147.11691	9.1
149.13255	23.9
157.10130	2.1
159.11687	3.4
161.13226	4.5
163.11171	2.0
163.14830	6.3
171.11714	3.1
173.13251	2.3
175.11215	1.0
175.14766	2.1
181.12321	1.2
185.13297	3.3
189.12766	1.4
193.12178	1.0
195.13800	2.0
199.14841	1.7
203.14484	1.2
207.13818	2.3
213.16309	1.0
215.03351	1.1
217.19389	1.4
221.15372	3.3
231.02861	1.2
231.17549	1.0
235.16914	4.7
241.19563	1.1
259.02402	1.7
259.20590	3.3
277.03418	5.4
277.21625	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	277.2162
Annotation	14,15-Dehydrocrepenynic acid
Peak:m/z	Relative Intensity
51.93572	1.1
53.03959	1.9
55.05509	5.1
56.29916	1.1
56.96557	1.4
57.07068	3.1
58.28319	1.2
59.64542	1.1
67.05507	8.1
69.03434	1.6
69.07078	8.3
69.07385	1.7
70.17406	3.9
70.17822	2.6
72.89054	1.0
75.32082	1.2
79.05497	8.1
81.07053	12.1
81.62191	1.1
83.08611	4.3
85.06533	1.8
87.04470	1.5
91.05473	7.8
93.07035	29.7
95.04997	1.6
95.08038	2.1
95.08607	30.9
97.10168	2.9
99.08076	1.5
103.05479	2.1
105.07018	8.5
107.08593	29.0
109.06512	3.7
109.10150	18.4
111.08082	2.0
111.11720	1.7
112.99150	1.4
119.08582	12.4
121.10144	96.7
123.08068	3.9
123.11720	12.9
125.09617	2.3
129.06982	1.4
131.08595	3.6
133.10121	15.7
135.08044	1.7
135.11705	6.4
137.09616	4.6
139.11201	2.8
143.08588	4.7
144.09358	1.4
145.10138	8.2
147.11676	7.4
149.01208	2.1
149.09647	7.2
149.13243	2.5
151.11185	4.2
153.09105	1.3
155.10719	1.9
156.09343	3.9
157.10168	6.1
159.11656	6.0
161.13261	7.6
163.14824	2.2
171.11691	17.5
173.13290	6.7
175.07747	1.2
175.14828	2.3
185.13255	10.0
187.03854	6.2
187.14822	7.2
189.12767	2.8
189.16377	2.9
191.17911	1.5
197.13345	1.8
199.14827	5.8
201.16411	4.5
203.03450	1.8
203.14249	2.2
212.40987	1.3
213.16307	2.1
215.03383	4.5
215.17949	1.9
217.15849	1.4
226.17110	1.7
231.02905	4.7
231.21034	3.9
241.19505	28.6
259.02304	7.5
259.20581	50.6
259.23355	2.5
277.03479	16.3
277.21637	100.0
278.03619	1.6
278.21985	2.1
299.82373	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.15395	0.8
53.03934	3.5
55.01848	1.1
55.05293	1.0
55.05512	13.3
56.96560	1.1
57.07078	46.5
65.03934	1.2
67.05172	1.2
67.05509	23.5
69.07073	12.3
71.04990	1.3
71.19064	2.7
78.03461	0.8
78.33484	0.8
79.05495	59.8
81.07063	27.3
83.04948	1.3
83.08618	6.1
85.06504	1.6
91.04960	1.7
91.05486	23.1
93.07047	82.0
94.28478	0.9
95.04961	6.2
95.08029	1.5
95.08605	19.9
96.85421	0.9
97.06523	2.2
97.10158	3.1
98.21432	0.9
103.05472	1.7
105.04501	1.5
105.07030	11.5
107.08592	41.2
109.06516	1.8
109.10159	8.1
111.08054	1.3
117.06999	2.6
119.08592	8.4
121.10143	36.1
123.04440	2.5
123.08068	1.8
123.11720	2.6
129.07016	1.6
131.08615	4.2
133.10132	9.1
135.08060	1.9
135.11694	37.2
143.08496	1.4
145.10103	3.9
147.11710	7.4
149.09596	1.3
149.12158	1.4
149.13249	17.3
153.09087	1.0
157.10124	2.1
159.11723	3.4
161.09593	1.0
161.13306	4.3
163.07474	1.3
163.14804	3.9
171.11618	1.7
173.13240	2.2
175.11246	1.3
175.14777	3.2
177.12743	2.8
179.10672	24.3
181.12282	0.9
185.13269	1.9
187.03874	3.1
189.12665	1.3
193.03723	0.8
193.12169	1.5
199.14842	1.9
203.14458	1.2
207.13785	2.0
213.01836	1.0
213.16290	1.4
215.03481	1.5
217.15895	1.7
219.13768	4.2
221.15430	2.1
231.02890	1.4
235.16930	100.0
236.17349	1.8
241.19525	2.1
259.02390	3.4
259.20517	3.0
277.03394	9.5
277.17972	90.0
277.21579	47.6
277.28152	7.4
278.18375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03938	4.2
55.01875	32.1
55.05507	25.0
57.03414	4.2
57.07059	7.5
67.05504	51.3
69.07072	47.2
70.66328	5.7
70.66700	5.5
71.04997	5.1
74.82746	2.7
75.44003	3.0
76.95383	3.0
79.05496	48.9
81.07061	64.4
83.04971	7.2
83.08620	13.0
85.06541	7.6
85.83800	2.4
91.05483	35.8
93.07046	55.3
95.04967	9.5
95.08604	47.1
97.06525	26.9
97.10162	4.3
98.90787	2.7
103.05453	6.5
105.07024	21.5
107.04939	3.3
107.08600	33.4
108.34630	2.9
109.06549	12.9
109.10165	20.5
111.04462	3.8
111.08101	16.2
117.07040	6.0
119.08601	20.9
121.10133	25.2
123.08087	6.8
123.11706	5.6
125.09621	11.4
129.07002	7.6
131.08569	8.8
131.21196	2.6
133.10146	14.4
135.08072	3.5
135.11707	16.9
137.05957	23.4
137.09584	3.7
143.08566	4.6
145.10132	8.6
147.11694	30.4
149.02332	6.1
149.09621	6.7
149.13271	16.7
151.11212	7.8
157.10135	4.0
159.11668	7.6
161.09608	4.4
161.13255	14.6
163.11157	4.7
163.14832	4.0
165.12755	10.6
171.11658	9.9
173.13287	5.8
175.14798	5.4
177.12721	2.9
179.14217	3.2
185.13289	3.7
187.03908	19.1
187.14662	3.6
189.12689	5.4
203.03423	5.6
207.13722	6.1
215.03403	12.3
229.68652	2.5
231.02878	18.3
232.63431	3.9
235.16823	6.6
241.19431	6.9
249.22141	6.7
259.02414	23.4
259.20572	10.8
277.03433	70.7
277.10928	2.5
277.18445	14.7
277.21628	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1911
Annotation	Hederacine B
Peak:m/z	Relative Intensity
51.58550	0.4
54.34755	0.4
55.01861	0.4
55.05508	0.4
56.96548	0.4
67.05486	0.6
69.03423	4.4
69.07067	0.4
69.63841	1.1
69.64275	1.3
70.06598	1.9
79.05453	0.6
81.03378	1.3
81.07028	0.6
85.02870	1.1
91.05456	0.8
93.07022	0.8
95.04935	0.6
95.06076	1.0
95.08578	0.7
97.02857	1.0
97.06553	0.4
99.04421	0.9
103.00622	0.5
103.05460	0.8
105.07010	0.4
107.04902	0.4
107.08553	0.5
120.08090	2.2
121.01674	0.4
122.19191	0.4
123.04430	0.5
124.07568	1.3
129.06982	0.5
130.08643	3.3
131.04881	0.9
135.08145	0.8
135.09160	8.6
136.09955	27.2
145.01604	0.5
147.04370	0.8
147.08000	0.4
149.10803	0.4
157.02791	0.7
175.03902	0.8
175.12335	1.0
176.13065	1.3
187.03998	2.1
190.57906	0.4
203.03334	1.2
205.03790	0.6
213.01802	1.3
215.03387	1.5
217.16986	93.4
218.17336	0.7
224.98344	0.4
231.02856	4.3
241.01202	0.8
259.02359	6.4
260.08813	0.3
267.03751	0.3
277.00369	0.8
277.03452	14.9
277.08975	1.7
277.19098	100.0
278.19434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.1799
Annotation	Watsonol B
Peak:m/z	Relative Intensity
55.05487	5.4
57.03428	2.3
57.07063	5.4
63.94976	2.1
65.03924	2.6
67.05494	11.6
69.03425	2.5
69.07037	7.1
69.80643	11.4
79.00647	2.1
79.05497	22.4
81.07053	13.9
83.04986	2.2
85.06519	2.7
91.05473	23.4
93.06557	1.9
93.07047	23.6
95.04964	4.3
95.08605	16.3
97.06500	2.6
98.20746	3.5
99.08102	2.4
102.64096	1.8
103.05440	4.6
105.06386	2.2
105.07034	28.7
107.04936	2.6
107.08595	100.0
109.06496	8.4
109.10118	8.2
113.83195	1.9
116.44065	1.9
117.06978	7.0
119.08575	18.7
121.06458	7.0
121.10155	11.6
123.08035	4.4
123.11658	2.7
128.06207	2.0
129.06949	5.1
130.07704	2.2
131.04872	4.0
131.07727	1.7
131.08578	20.1
133.06433	2.8
133.10109	10.9
135.08035	5.3
137.09552	3.0
139.45889	2.1
142.07742	5.9
143.08568	21.2
145.10135	32.7
146.10765	2.4
147.04446	2.4
147.08006	2.9
147.11696	13.5
149.02315	3.4
149.09492	3.2
155.08560	4.6
156.09363	2.6
157.10127	19.9
159.04430	2.2
159.08032	2.8
159.11728	11.9
161.09540	3.2
161.13216	3.2
163.11116	2.1
166.07684	2.2
167.08476	3.6
168.09253	3.0
169.10048	7.2
171.11665	10.7
173.09552	6.4
173.13268	41.3
175.03889	3.3
175.11137	2.5
179.08469	5.6
181.10046	5.7
182.10808	3.4
183.11716	22.8
184.12337	3.2
185.13228	6.8
187.03902	16.5
187.14854	8.9
189.12662	2.6
189.16353	3.1
193.10138	4.9
194.10881	5.3
195.11662	4.8
197.13197	6.5
197.61809	2.3
198.13907	3.1
199.14812	14.8
201.12735	13.9
201.16318	2.6
203.03352	6.9
207.11732	2.9
211.14815	10.0
213.01781	4.4
213.12737	2.6
213.16371	9.0
215.03453	14.4
215.14281	5.0
217.15834	2.3
223.14896	11.9
229.15764	10.5
231.02924	20.4
231.17390	5.2
231.21024	2.2
233.15584	4.4
235.13205	3.6
235.16902	4.8
241.01164	2.6
241.15881	17.5
247.16902	2.3
249.14946	2.3
256.16034	3.9
259.02393	25.9
259.16910	23.7
259.19614	3.3
265.16125	2.6
277.03448	69.3
277.14847	4.2
277.17911	82.1
277.21375	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	277.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79886	17.9
84.08136	31.7
98.97586	39.3
99.11012	18.9
101.00903	22.6
119.01911	33.5
134.99625	17.3
135.44815	17.8
138.64575	19.6
139.12946	21.3
161.02989	28.5
212.93285	20.3
256.97458	24.7
276.92090	44.0
294.93207	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0344
Annotation	5-(4-Acetoxybut-1-ynyl)-2,2'-bithiophene
Peak:m/z	Relative Intensity
66.81248	0.2
68.99763	0.3
69.03414	0.3
70.56139	0.4
77.03951	0.4
81.07053	0.3
89.03902	0.3
91.05478	1.8
94.54352	0.2
101.03936	0.3
103.05471	2.9
105.03397	0.3
105.07040	0.2
119.04929	1.3
129.03375	1.5
131.04936	1.7
135.09766	0.2
141.03300	0.3
147.04410	2.8
157.02863	4.3
158.67514	0.3
159.04430	0.7
173.02370	0.2
175.02473	0.4
175.03917	4.7
185.02353	4.5
187.02231	0.5
187.03906	9.1
193.04901	0.3
202.02623	0.3
203.03391	7.3
213.01833	7.6
215.03392	6.5
215.05482	0.3
230.02106	0.5
231.02893	33.5
232.03186	0.5
241.01326	5.5
250.28310	0.2
259.02386	47.4
260.02802	1.2
277.03439	100.0
277.19952	2.0
278.03824	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0082
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	7.7
62.74191	1.0
69.77032	2.9
69.77440	4.7
71.95253	1.5
72.58013	1.1
75.82227	1.1
85.88480	1.0
88.07541	1.1
89.21648	1.0
97.90745	1.1
98.97586	100.0
101.00887	5.0
103.00603	2.5
116.98629	43.0
119.01918	8.6
121.01687	3.4
131.01874	1.8
133.03545	1.4
134.99657	12.6
137.02992	1.5
142.03513	1.2
143.01901	2.0
157.03450	1.4
161.02943	4.6
163.03903	5.4
173.02930	1.4
175.04515	2.1
177.00945	2.8
185.02922	1.3
186.92223	1.1
205.05490	1.5
219.02016	3.1
240.98740	3.3
242.48859	1.6
245.05042	1.9
246.33940	1.3
250.99210	3.4
251.49310	2.5
256.96661	1.3
257.96747	1.1
258.96957	2.1
258.99774	54.0
261.02975	2.1
263.03021	1.6
276.97351	3.9
277.00827	54.5
277.07611	7.9
282.01389	1.3
294.97672	2.0
295.08810	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	276.1232
Annotation	Orixalone D
Peak:m/z	Relative Intensity
55.05516	0.8
56.05032	0.8
56.96569	0.6
59.28152	0.4
69.07051	0.5
69.42727	2.1
69.43148	0.6
79.05486	0.6
81.03411	0.5
82.06580	1.4
83.05029	0.3
84.08145	0.8
85.02898	0.7
91.05463	0.9
93.07050	0.4
94.06593	0.3
96.08941	0.4
98.09715	1.8
98.20778	0.7
98.97574	1.4
105.07021	0.6
107.04957	1.2
109.10159	0.4
110.42222	0.4
121.10117	0.4
122.07709	0.4
124.07600	9.3
124.11214	0.5
127.03927	0.6
130.96588	0.3
131.04979	0.7
133.02837	0.8
135.04399	0.6
147.04456	0.7
151.03914	1.6
153.01816	1.2
153.05460	4.4
158.99672	0.4
169.06512	0.7
177.00769	0.4
179.03415	5.6
185.09639	0.6
187.07652	0.3
189.05463	0.7
193.04984	0.5
197.06029	0.6
204.06670	0.5
205.07332	0.7
212.07054	0.5
212.10686	0.9
213.09225	0.5
216.08264	0.4
216.10202	1.8
219.05194	0.3
219.08630	0.3
220.05966	0.4
232.06126	2.3
232.09628	1.6
234.07588	0.5
240.10265	3.3
243.08916	0.9
244.07359	0.8
244.09683	0.7
247.08366	1.7
248.09103	0.4
258.11264	8.1
259.02420	0.5
259.12109	0.4
260.09189	0.9
261.09976	6.9
276.12320	100.0
277.03458	1.1
277.12546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	0.8
56.05032	0.8
56.96569	0.6
59.28152	0.4
69.07051	0.5
69.42727	2.1
69.43148	0.6
79.05486	0.6
81.03411	0.5
82.06580	1.4
83.05029	0.3
84.08145	0.8
85.02898	0.7
91.05463	0.9
93.07050	0.4
94.06593	0.3
96.08941	0.4
98.09715	1.8
98.20778	0.7
98.97574	1.4
105.07021	0.6
107.04957	1.2
109.10159	0.4
110.42222	0.4
121.10117	0.4
122.07709	0.4
124.07600	9.3
124.11214	0.5
127.03927	0.6
130.96588	0.3
131.04979	0.7
133.02837	0.8
135.04399	0.6
147.04456	0.7
151.03914	1.6
153.01816	1.2
153.05460	4.4
158.99672	0.4
169.06512	0.7
177.00769	0.4
179.03415	5.6
185.09639	0.6
187.07652	0.3
189.05463	0.7
193.04984	0.5
197.06029	0.6
204.06670	0.5
205.07332	0.7
212.07054	0.5
212.10686	0.9
213.09225	0.5
216.08264	0.4
216.10202	1.8
219.05194	0.3
219.08630	0.3
220.05966	0.4
232.06126	2.3
232.09628	1.6
234.07588	0.5
240.10265	3.3
243.08916	0.9
244.07359	0.8
244.09683	0.7
247.08366	1.7
248.09103	0.4
258.11264	8.1
259.02420	0.5
259.12109	0.4
260.09189	0.9
261.09976	6.9
276.12320	100.0
277.03458	1.1
277.12546	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.78752	0.9
53.03933	2.5
55.01869	5.9
55.05515	23.3
57.03427	2.0
57.07069	2.2
65.03937	2.5
67.05508	32.5
68.90394	0.9
69.03399	1.2
69.07070	9.8
69.60177	1.1
70.06602	1.6
71.04996	2.9
71.13138	2.1
75.04327	0.9
79.05499	45.5
81.03393	1.1
81.07059	23.6
83.04998	2.4
83.08619	7.5
85.02862	1.1
85.06528	1.1
91.05485	41.8
93.07050	26.3
95.04958	3.5
95.08606	15.8
97.06538	3.6
97.10159	4.8
105.07035	50.5
105.07745	2.5
106.08703	1.0
107.04959	22.4
107.08593	33.3
109.06516	3.3
109.09451	1.4
109.10160	18.9
111.08105	1.6
115.05438	1.4
117.07026	12.8
119.08588	33.1
119.09448	1.9
121.06506	3.3
121.10143	17.7
123.08055	1.5
123.11703	5.3
125.09627	5.9
129.07007	2.8
131.08565	16.0
133.10135	32.5
135.08044	6.4
135.11707	5.0
137.09637	1.6
143.08623	2.1
145.10117	15.4
146.23538	1.0
147.11682	22.2
149.09625	43.9
149.13306	1.4
151.11012	1.1
153.09146	1.9
155.08525	1.2
157.10130	3.4
159.11699	13.7
161.13211	7.6
163.11143	2.4
169.10175	2.3
169.12251	1.9
171.11664	2.3
173.11742	3.7
173.13269	7.8
173.14572	1.5
175.14792	1.7
177.01942	1.0
177.12807	1.9
183.11717	3.1
185.13199	1.0
187.11192	1.8
187.13245	1.4
187.14806	2.2
193.12218	1.8
197.13300	2.0
201.16592	1.1
205.12305	1.1
213.16393	1.8
215.17926	1.6
229.19519	34.1
239.17998	3.6
243.16930	1.1
247.20631	2.3
247.25375	1.2
257.19043	16.6
275.16626	7.7
275.20059	100.0
275.27716	13.0
276.20535	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	Dicranin
Peak:m/z	Relative Intensity
53.03937	2.3
55.01875	6.7
55.05258	2.0
55.05514	28.0
56.96561	2.1
57.03441	2.8
57.07073	2.6
65.03941	1.3
67.05163	1.8
67.05506	31.3
69.07076	10.6
70.06572	1.2
70.15179	4.0
71.04996	2.6
79.05496	43.1
81.07060	23.7
83.04967	3.5
83.08624	5.9
85.06521	2.2
88.07611	1.7
91.05481	35.3
93.07050	25.6
95.04955	4.1
95.08604	13.9
97.06532	4.2
97.10159	4.7
102.09196	1.3
103.05460	2.2
105.07033	50.7
107.04272	1.8
107.04963	25.1
107.08591	28.4
109.06528	2.0
109.10165	16.3
111.08094	1.8
115.89714	1.1
116.06311	1.0
117.07011	11.4
118.44103	1.1
119.08577	34.0
121.06517	3.0
121.10153	14.3
123.08032	1.2
123.11699	4.2
125.09621	5.0
129.06990	2.2
131.08583	16.3
133.10138	31.3
135.08067	6.3
135.11703	3.9
137.09541	2.7
143.08562	2.8
145.10124	16.4
147.07990	1.5
147.11705	20.7
149.09634	41.6
149.13187	1.1
153.09113	2.1
155.08586	1.5
157.10143	2.3
159.11708	12.4
161.09583	1.3
161.13278	7.9
163.11180	1.8
169.10056	1.7
169.12231	2.4
171.11696	1.6
173.11667	3.3
173.13261	9.6
175.11127	1.8
183.11836	2.1
187.11182	2.3
187.14859	1.7
197.13338	1.8
205.12389	1.4
205.63907	1.1
215.17912	1.7
229.19508	31.4
233.15376	1.8
239.17941	4.1
247.20598	2.9
257.19025	16.3
275.04776	1.9
275.16855	5.0
275.20068	100.0
275.27829	12.0
276.20175	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02370	0.2
51.84105	0.1
53.03939	0.7
55.05506	0.4
56.96554	0.3
67.01857	0.3
67.05495	0.3
68.02780	0.1
69.03421	0.2
69.07082	0.3
70.73654	0.2
70.73992	0.4
74.16404	0.1
77.03918	0.2
77.49750	0.1
79.05497	1.3
79.39414	0.1
81.03404	0.4
81.07051	0.5
83.04997	0.2
85.02884	0.4
91.05475	0.9
93.07028	0.2
95.04958	0.9
95.08606	0.3
98.97572	0.2
103.05450	0.3
105.04527	0.3
105.07036	1.3
107.04956	100.0
108.05291	0.5
117.07063	0.2
119.08556	0.8
121.06498	0.5
121.10190	0.2
123.04433	0.5
127.03918	1.2
131.04955	0.4
131.08559	0.4
133.10118	0.8
134.31783	0.1
145.10150	0.4
147.11647	0.5
149.05949	0.7
151.03911	1.6
153.01862	0.5
161.13324	0.2
169.04967	10.7
184.41225	0.1
257.19034	0.2
275.02084	0.1
275.09158	1.5
275.13681	0.2
275.17172	0.3
275.20041	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	275.0915
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.02389	0.3
53.03942	1.2
55.01880	0.6
55.05510	1.1
56.96569	0.5
57.03447	0.3
62.45256	0.3
63.27637	0.3
67.01867	1.4
67.05513	0.8
68.99806	0.4
69.03430	1.6
69.07064	1.0
70.04406	0.9
71.04984	0.4
73.02956	0.3
79.05510	1.6
81.03426	4.6
81.07050	1.1
83.04998	0.5
85.02906	1.5
85.06554	0.3
91.05490	1.2
93.07041	1.4
95.04971	1.2
95.08616	1.2
97.02890	0.6
98.97591	1.1
99.04461	0.3
101.00902	0.3
103.05499	2.2
105.07040	1.3
107.04962	100.0
107.08602	1.0
107.28336	0.3
107.70387	0.3
108.05254	0.3
109.02911	1.6
109.10160	0.3
113.05984	0.3
116.98615	0.4
117.07022	0.6
119.01938	0.3
119.08624	1.5
121.06530	0.7
121.10140	0.5
123.04425	0.4
123.08093	0.4
127.03925	3.7
131.04942	5.2
131.08585	0.7
132.03520	0.3
133.10133	1.1
135.08087	0.5
135.11676	0.5
137.09644	0.5
137.15157	0.3
141.07040	0.3
142.12059	0.3
143.01949	0.4
145.10164	0.6
147.04391	0.4
147.08072	0.3
147.11703	0.7
149.05978	1.1
151.03929	3.5
153.01875	0.7
153.04016	0.4
158.99683	0.4
159.11696	0.9
161.02979	0.4
161.09605	0.4
163.03871	0.3
169.04979	15.8
173.09613	0.5
173.13367	0.4
181.04997	0.5
185.02945	0.4
187.07455	0.4
189.12762	0.3
195.14182	0.3
203.04025	0.5
204.08981	1.2
219.11351	0.7
247.08324	0.5
247.10835	3.0
257.19119	0.5
275.01898	0.9
275.09482	4.4
275.13412	0.6
275.16946	0.5
275.19986	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	275.053
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19643	7.7
55.01888	10.8
57.03439	11.6
57.76477	6.9
58.23749	7.9
61.02929	16.9
69.03442	38.4
70.06579	8.3
70.64362	8.3
73.02914	10.9
81.03418	12.6
84.08164	11.0
85.02908	65.9
86.06062	9.4
86.87572	7.5
88.04012	9.6
91.03929	10.1
97.02901	22.3
101.00896	59.7
114.05528	50.9
119.01929	100.0
127.02383	9.3
127.03915	13.9
137.02939	10.9
141.03987	7.1
143.01839	16.4
145.03481	53.5
157.03494	9.2
159.05061	35.2
161.02962	11.6
162.03400	9.7
163.04514	12.4
177.06081	10.9
184.05844	24.2
184.55925	33.3
187.04636	22.1
189.02449	21.6
191.03505	8.7
194.07115	15.7
203.03610	8.5
205.05589	8.1
213.02579	11.8
219.02934	10.9
223.06625	22.3
224.06866	20.2
225.06454	11.9
229.11768	9.1
231.03448	15.5
233.01355	9.4
247.02383	14.3
251.02351	10.4
265.07697	19.6
266.07932	30.7
267.07693	21.4
275.02246	24.7
275.05408	29.2
275.12552	24.8
277.07681	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	275.0529
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50776	22.5
69.95972	90.7
80.48595	22.9
85.02875	32.3
87.91010	22.9
184.56023	33.3
194.07170	28.9
266.07816	34.0
275.05280	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1802
Annotation	Tropanserin
Peak:m/z	Relative Intensity
50.79857	0.4
55.05508	1.3
56.05034	4.1
58.06589	0.6
62.91428	0.3
67.05193	0.6
67.05505	4.8
70.06593	1.7
71.37788	0.7
71.38120	0.4
81.07055	0.7
84.08144	100.0
97.08906	1.1
98.09683	4.0
98.97596	1.0
103.05463	10.7
109.10163	1.7
110.36852	0.4
121.00566	0.4
122.57214	0.4
125.64617	0.5
126.12794	79.6
131.04932	34.5
144.13850	7.4
146.42557	0.5
149.05943	0.5
183.08087	2.4
185.01140	0.5
192.57980	0.4
203.02290	0.5
256.16891	0.9
274.18018	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52087	0.7
53.03941	0.7
55.05508	1.5
56.05044	3.7
56.96564	0.8
67.05515	5.1
69.03449	0.8
69.07067	0.7
69.44730	0.6
70.06577	1.9
71.61911	0.7
73.08940	0.7
79.05496	0.8
81.03410	0.7
81.07053	1.8
83.08614	0.6
84.08148	97.0
95.04962	0.9
95.08612	1.0
98.09705	2.7
98.97619	1.2
103.05477	49.5
105.04540	0.8
107.08546	0.7
109.10165	1.5
116.98639	0.7
124.11288	0.7
126.12801	100.0
127.13103	0.7
131.04935	98.0
144.13844	66.5
147.04381	0.9
246.33990	0.7
256.17191	1.1
274.18051	52.1
274.27451	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.01870	0.8
55.05503	2.8
56.96560	1.7
65.03931	0.7
67.05496	2.9
69.03430	1.2
69.07076	4.3
71.05026	0.7
71.28162	1.3
79.05503	8.9
80.05004	0.9
80.06109	0.6
81.05798	0.9
81.07054	5.6
83.04974	0.9
83.08610	1.7
85.02886	1.6
91.05484	16.1
93.07050	8.7
94.06577	4.4
95.04966	1.2
95.08617	3.8
96.08110	4.1
97.02865	1.0
97.06577	0.9
98.97564	4.7
99.04475	0.8
103.05476	6.9
104.62977	0.8
105.05804	1.7
105.07033	12.9
106.06567	1.4
107.07337	1.1
107.08578	2.5
108.08134	1.4
109.10151	2.0
111.11751	1.3
115.05472	0.9
116.98629	1.9
117.07052	1.0
118.06547	1.5
119.04972	1.2
119.07320	2.3
119.08580	2.8
119.69358	0.7
120.04487	8.7
120.08114	57.5
121.06519	1.9
121.10147	2.6
122.06032	2.5
122.09660	3.3
123.04424	0.7
123.08080	0.9
123.11723	1.1
123.68536	0.7
124.07594	15.7
126.09170	2.0
128.98598	0.7
129.06989	1.0
131.04962	0.7
131.08582	1.4
133.06519	1.4
133.10204	1.8
135.08084	1.5
135.11694	1.1
136.07613	1.4
137.09734	0.8
137.13324	0.7
138.09155	2.0
141.05510	0.9
142.07791	0.8
143.08551	1.4
145.06491	0.7
145.10175	1.9
147.04420	2.1
148.07578	100.0
149.05960	1.9
149.08356	1.4
149.13206	1.0
150.09163	12.4
151.07578	1.2
153.01871	3.4
153.07027	2.9
157.08870	0.8
157.10118	1.0
158.99615	1.4
159.11681	1.0
161.09642	0.9
171.11662	1.0
172.11275	0.8
173.13185	1.2
177.00653	1.0
181.06483	2.9
183.11806	0.8
200.10710	5.0
202.12346	0.9
213.09177	2.1
227.11974	0.9
241.08664	2.6
245.12889	1.0
245.13937	1.0
245.16518	12.6
255.17450	0.9
264.14795	1.0
273.03970	0.8
273.07135	2.4
273.11810	3.5
273.15979	48.9
273.18488	3.2
273.22226	1.6
273.25912	4.5
291.95151	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02323	0.7
56.96552	2.3
57.03429	1.2
57.96893	0.7
61.02922	1.2
66.39667	0.8
69.03413	2.5
70.06577	1.0
70.63080	1.8
70.63422	0.8
73.02930	1.3
81.03398	0.9
85.02906	2.3
97.02874	2.6
98.97594	3.3
110.06049	1.8
111.05582	0.8
111.06336	0.8
117.04030	0.9
124.11257	1.5
124.99108	1.0
127.03905	1.1
143.00133	1.4
143.01875	0.9
145.03471	1.3
153.01836	6.4
161.03046	0.8
169.03503	1.1
171.05043	1.0
183.05116	1.4
185.01373	0.9
187.04552	2.2
218.81673	0.8
221.05061	1.4
237.18022	0.7
240.22772	0.8
249.02869	0.9
273.09464	100.0
273.15466	2.3
274.09827	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	(-)-Naringenin
Peak:m/z	Relative Intensity
50.30906	0.3
55.01884	0.5
56.96568	0.5
65.03940	0.6
67.01864	2.3
67.05504	0.6
68.99789	1.6
69.03426	2.2
70.85250	0.8
76.58051	0.3
79.05494	0.4
81.03407	0.5
81.07049	0.9
83.01356	0.5
85.02904	0.4
91.05482	7.9
93.07051	0.5
95.04974	2.2
95.08594	0.7
97.02909	1.0
98.97585	0.4
105.07016	0.5
107.04958	2.4
107.08572	0.4
109.10146	0.5
111.00780	0.6
112.10635	0.3
119.04945	18.6
121.02910	0.5
121.06532	0.6
121.10161	0.4
123.04436	3.8
133.10114	0.4
147.04413	42.7
148.04681	0.4
151.03883	0.8
153.01830	100.0
154.02222	0.3
168.95311	0.3
171.02887	2.2
171.04144	0.4
179.03394	0.8
181.06474	0.6
189.05479	0.6
199.11035	0.3
207.06526	0.4
213.70726	0.3
255.06596	0.8
273.07578	64.4
273.18515	0.9
274.07938	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49479	0.3
55.01871	0.5
55.05496	0.4
65.03947	0.6
67.01871	2.8
67.05492	0.3
68.99797	2.1
69.03426	1.8
69.91727	0.7
69.92127	1.3
70.83824	0.3
72.62103	0.3
79.01847	0.4
79.05494	0.4
83.01300	0.4
83.04980	0.4
85.02901	0.3
91.05481	6.5
95.04967	1.8
95.08624	0.4
97.02880	1.0
99.72771	0.3
105.45758	0.3
107.04958	2.2
111.00781	0.7
119.04948	14.8
121.02856	0.7
121.06528	0.6
123.04442	3.7
147.04416	42.7
148.04694	0.4
151.03938	0.7
153.01831	100.0
154.02156	0.5
157.06477	0.4
171.02885	3.3
179.03328	0.9
181.06453	0.5
189.05467	0.9
213.05280	0.4
227.11794	0.9
231.06534	0.8
255.06528	0.7
256.09845	0.4
273.07584	77.3
273.12387	3.1
274.07913	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0758
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
50.04678	0.3
50.48064	0.3
51.66953	0.3
55.01871	0.5
67.01871	2.7
68.99788	2.1
69.03410	1.7
71.61346	0.5
81.03414	0.3
83.01323	0.5
83.05010	0.4
91.05484	7.5
93.07020	0.4
95.04960	1.9
97.02897	1.2
105.07014	0.4
107.00374	0.3
107.04959	2.1
107.08591	0.4
111.00797	0.4
113.37295	0.4
119.04945	17.8
119.08597	0.5
121.02883	0.4
121.06494	0.8
121.10130	0.4
123.04449	3.2
125.02336	0.4
132.08141	0.3
132.90594	0.3
133.02834	0.3
133.10095	0.4
137.09656	0.3
147.04411	43.1
149.06030	0.4
151.03891	0.7
153.01831	100.0
154.02139	0.5
159.11670	0.4
161.05923	0.3
171.02892	3.1
174.95030	0.3
179.03406	1.0
181.06480	0.6
189.05446	0.6
201.05637	0.3
207.06522	0.4
255.06648	0.5
273.07574	73.3
273.15829	1.1
274.07941	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	Naringenin
Peak:m/z	Relative Intensity
50.15967	0.4
53.03950	0.5
55.01883	0.4
56.96583	0.5
61.36145	0.4
63.15396	0.4
65.03955	0.7
66.27412	0.4
67.01868	6.0
67.05534	0.8
68.43330	0.4
68.99784	2.7
69.03443	1.6
69.07099	0.6
70.06598	1.0
71.26939	0.3
71.61140	0.6
79.01859	0.6
81.03422	0.7
81.07072	0.7
86.09673	0.7
91.05482	7.4
92.05856	0.5
93.07070	0.7
95.01324	0.4
95.04964	2.0
97.02908	1.4
98.97585	1.1
103.05534	0.4
107.04974	2.7
107.08595	0.6
107.28790	0.4
111.00832	0.7
119.04951	16.2
120.05299	1.4
121.02911	0.7
121.05625	0.7
121.06545	1.0
123.04418	2.9
127.03928	0.6
131.04961	0.6
133.10107	0.6
143.03348	0.4
145.02873	0.7
145.10085	0.5
147.04420	34.7
151.03954	0.6
153.01834	100.0
154.02191	3.2
155.02324	3.4
161.06093	0.4
171.02870	9.6
179.03400	1.5
181.06564	0.5
189.05487	0.7
189.96553	0.4
231.06473	0.7
241.08534	0.5
245.07004	0.8
245.12953	0.6
273.06924	96.4
274.07370	0.6
291.14352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15967	0.4
53.03950	0.5
55.01883	0.4
56.96583	0.5
61.36145	0.4
63.15396	0.4
65.03955	0.7
66.27412	0.4
67.01868	6.0
67.05534	0.8
68.43330	0.4
68.99784	2.7
69.03443	1.6
69.07099	0.6
70.06598	1.0
71.26939	0.3
71.61140	0.6
79.01859	0.6
81.03422	0.7
81.07072	0.7
86.09673	0.7
91.05482	7.4
92.05856	0.5
93.07070	0.7
95.01324	0.4
95.04964	2.0
97.02908	1.4
98.97585	1.1
103.05534	0.4
107.04974	2.7
107.08595	0.6
107.28790	0.4
111.00832	0.7
119.04951	16.2
120.05299	1.4
121.02911	0.7
121.05625	0.7
121.06545	1.0
123.04418	2.9
127.03928	0.6
131.04961	0.6
133.10107	0.6
143.03348	0.4
145.02873	0.7
145.10085	0.5
147.04420	34.7
151.03954	0.6
153.01834	100.0
154.02191	3.2
155.02324	3.4
161.06093	0.4
171.02870	9.6
179.03400	1.5
181.06564	0.5
189.05487	0.7
189.96553	0.4
231.06473	0.7
241.08534	0.5
245.07004	0.8
245.12953	0.6
273.06924	96.4
274.07370	0.6
291.14352	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.1129
Annotation	Deidaclin
Peak:m/z	Relative Intensity
51.59668	0.3
52.47626	0.3
53.03928	0.6
55.01876	0.4
55.05508	0.4
55.67671	0.3
56.96566	2.5
57.03424	1.1
57.75535	0.3
61.02913	1.9
65.03931	2.3
69.03432	4.6
70.06232	1.2
70.06621	1.6
71.04988	0.9
72.08150	0.4
73.02930	1.9
80.05036	0.4
80.73500	0.4
81.03419	1.6
82.06587	1.5
85.02908	10.3
87.04470	1.4
91.03965	0.7
92.05006	27.6
93.05782	2.3
93.08755	0.4
94.06577	4.2
95.04958	0.7
96.08135	1.4
97.02895	3.7
98.21384	0.5
98.97580	3.0
99.04444	0.6
101.00881	0.4
102.00925	0.5
103.03903	0.4
107.30671	0.3
109.02882	1.0
110.06045	100.0
110.97578	0.6
112.99157	0.9
119.01852	0.7
123.67596	0.3
124.11253	3.1
124.99107	0.6
127.03921	2.1
128.98622	0.5
131.00224	0.5
132.58218	0.3
140.17686	0.3
141.55803	0.4
143.00107	0.5
145.04979	1.7
150.09135	0.6
152.07109	1.3
152.10686	2.9
153.01840	1.6
153.05721	0.4
154.04965	0.4
158.99670	0.8
161.01208	0.6
164.10760	0.4
169.04417	1.5
170.03484	0.4
176.10786	0.4
177.00673	0.6
177.04225	0.3
178.04897	3.8
178.55205	0.4
182.03375	0.5
182.99594	0.4
189.00740	0.6
190.12268	0.4
191.03899	1.0
194.11792	0.5
196.09747	0.9
206.11885	0.6
212.12770	2.1
218.11740	0.5
219.01776	0.6
236.12831	1.3
248.99231	1.3
254.10211	1.1
254.13889	2.9
267.00223	0.6
272.03644	0.4
272.06757	1.0
272.11331	14.3
272.14932	12.3
272.17834	0.6
273.09399	1.1
279.03412	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1903
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
53.03937	1.3
55.01868	2.1
55.05264	1.1
55.05512	19.6
55.45251	0.7
56.96557	1.9
57.03180	1.0
57.03438	14.6
57.07063	2.1
65.03931	1.6
67.01854	1.6
67.05504	30.9
68.99789	1.9
69.03419	2.4
69.07068	20.6
69.40314	5.4
71.04996	6.8
71.08598	0.6
73.06564	0.9
74.76974	0.6
79.05490	14.5
81.03423	1.0
81.07056	47.9
83.01324	0.6
83.04990	3.2
83.08619	12.2
85.02890	1.2
85.06544	6.1
90.25981	0.8
91.05480	14.2
93.07043	16.2
95.04972	2.2
95.08605	50.7
97.02905	0.9
97.06529	10.2
97.10168	3.3
98.97582	3.0
99.08075	2.8
103.05469	0.9
105.07035	12.3
107.04953	0.7
107.08582	5.7
109.02866	1.3
109.06499	2.7
109.10152	8.5
111.08073	2.7
112.88142	0.7
113.09617	0.7
114.16898	0.6
115.07556	1.1
116.98640	1.6
117.06993	1.5
117.59330	0.7
118.21700	0.6
119.04952	6.0
119.08581	13.4
121.02869	1.8
121.06484	1.1
121.10144	4.0
123.08073	3.0
123.11689	2.3
125.05977	1.8
125.09658	1.1
129.07088	1.0
131.08620	1.9
133.10129	10.9
135.08064	1.0
135.11681	5.2
137.06012	0.8
137.09570	3.1
137.13228	4.2
141.06995	1.2
143.07048	2.1
143.08543	1.1
145.02821	1.6
147.04385	1.3
147.11696	1.4
149.02403	0.9
149.13264	0.9
151.05884	0.9
153.01826	14.5
153.07002	3.1
155.08554	1.5
157.10149	1.4
158.99583	0.8
159.11696	1.2
161.09599	1.4
161.13255	16.6
163.03952	1.1
163.11214	0.8
165.07031	6.3
167.08568	0.9
168.05673	1.2
169.06482	1.8
171.02878	1.0
171.11653	1.3
173.13330	0.9
175.14838	1.4
179.14337	5.8
181.06416	1.1
182.07176	1.0
183.08003	3.6
185.06047	0.8
193.06477	0.8
197.05949	1.2
197.13347	0.8
211.07536	3.6
212.08250	0.8
213.12834	1.3
215.07089	1.2
221.05994	1.6
225.12668	0.8
229.05040	1.2
235.16927	1.0
239.07042	1.4
243.10075	0.9
253.15657	0.8
253.18050	2.4
271.06015	100.0
271.09506	10.1
271.19073	30.1
271.23846	1.5
272.06302	1.9
281.08322	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61715	0.5
53.03936	1.5
55.01871	3.5
55.05497	1.1
57.03448	3.1
61.51064	0.5
63.90873	0.5
65.03940	3.0
67.05496	1.9
68.99791	0.5
69.03403	0.7
69.07057	0.6
70.06588	2.1
71.60685	0.5
72.08163	3.2
73.02917	30.1
75.04466	2.3
79.05486	0.9
81.03410	0.6
81.07042	1.3
84.08120	0.7
85.02894	1.0
85.06580	0.5
91.05477	3.5
93.03400	3.7
93.07060	0.5
95.04950	2.5
95.08624	0.6
98.97591	1.1
103.05472	1.1
107.04960	1.5
108.02103	1.8
110.03667	5.6
111.04458	4.1
116.07094	1.6
119.04927	2.4
119.50638	0.5
121.06499	1.3
122.03642	0.8
123.04443	2.1
125.05994	37.8
127.03904	0.7
135.08034	1.0
137.05991	2.3
139.18147	0.5
141.05504	2.5
147.06482	3.9
149.06004	2.7
151.03914	100.0
151.04994	6.9
151.07506	4.8
152.96410	0.5
153.01834	1.3
163.07520	3.0
164.65762	0.5
165.07019	1.2
179.05452	1.0
179.07034	21.1
181.06342	0.7
181.08669	0.8
183.08128	0.7
191.16882	0.5
197.06290	0.8
197.08086	19.1
199.09584	0.9
211.07555	1.4
219.04591	0.5
225.07472	4.6
253.10692	2.8
271.05872	1.4
271.11819	18.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	2,7-Dihydroxy-4,6-dimethoxyphenanthrene
Peak:m/z	Relative Intensity
50.03045	1.0
53.03923	1.1
55.01873	6.4
60.44677	0.8
65.03923	2.6
67.05524	1.3
68.99786	1.2
69.03451	1.0
70.21326	0.9
70.73051	1.9
70.73388	1.2
79.05480	1.9
81.07033	2.3
83.04980	1.1
85.06509	1.2
89.03915	1.9
90.29140	0.9
91.05481	18.3
95.04987	4.8
105.07024	1.7
107.04956	4.9
109.06471	1.0
111.04452	0.9
115.05441	4.2
117.03403	1.5
118.04210	2.5
119.04948	11.8
121.02886	1.6
121.06513	4.2
123.04436	1.8
124.05196	1.0
128.06198	1.5
129.07014	3.0
133.06514	1.1
134.03612	2.5
135.04430	2.7
137.05991	8.3
140.06171	1.3
141.07005	8.5
143.08592	1.1
145.06538	1.3
147.04402	1.7
149.02339	7.5
149.05963	3.0
150.06708	1.0
152.06216	8.9
153.01807	4.0
153.06985	34.8
154.07790	5.6
155.08546	20.5
157.06482	6.1
159.03935	1.0
165.07004	93.3
166.07640	1.3
167.08508	1.6
168.05704	13.4
169.06482	7.6
170.07300	2.7
171.07982	1.6
177.07092	1.0
179.08572	1.1
180.05769	1.2
180.22238	1.0
181.06465	18.5
182.07320	8.7
183.08051	45.2
184.08504	1.2
185.05937	6.1
187.07555	1.2
193.06328	13.9
193.07956	1.8
194.07217	1.7
195.08055	2.0
196.05180	9.5
197.05983	7.3
197.09604	1.9
198.06723	2.9
199.07489	3.5
200.08324	3.6
207.04378	4.5
209.05989	3.7
210.06779	6.4
211.07536	46.7
212.08299	5.3
213.05461	2.4
213.09012	1.5
215.07043	8.8
215.10606	1.2
221.06001	15.3
225.05319	1.0
225.09123	3.3
227.06982	1.6
228.07809	5.5
237.05508	1.0
239.07050	10.0
240.07669	1.2
240.68155	1.0
241.08617	1.1
242.09389	3.9
243.06522	5.5
243.10097	4.9
253.08679	1.3
256.07178	1.2
257.08203	1.7
271.06091	16.7
271.09637	100.0
271.74493	1.0
272.10306	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.88705	0.1
65.03939	0.3
67.01866	1.6
67.05493	0.1
68.99790	1.2
69.03405	0.1
69.77084	0.4
69.77500	0.2
81.07061	0.2
91.05481	1.5
93.07007	0.1
95.08598	0.2
97.02912	0.1
98.20806	0.2
105.07037	0.1
115.29260	0.1
119.04941	5.2
121.02861	1.7
125.02368	0.1
129.01807	0.2
131.04922	0.2
141.06993	0.4
145.02844	1.6
145.06514	0.1
147.04449	0.2
153.01828	11.3
153.07014	0.1
157.06509	0.1
163.03876	0.9
165.07043	0.3
169.06454	0.2
171.02898	0.6
173.05942	0.1
187.03914	0.2
197.06010	0.3
202.06146	0.1
203.07016	0.2
211.07695	0.1
225.05469	0.6
229.05020	0.4
243.06512	0.8
247.06099	0.1
253.05075	0.2
271.06006	100.0
272.06375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0602
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.37375	0.1
64.92451	0.1
65.03949	0.1
67.01869	1.9
68.99785	1.1
69.00112	0.1
69.03406	0.1
69.07057	0.1
70.06590	0.2
70.63324	0.2
70.63695	0.2
73.66045	0.1
79.01879	0.1
81.03415	0.1
85.59042	0.1
91.05486	1.8
98.38570	0.1
98.97591	0.1
103.05559	0.1
103.22922	0.1
111.00794	0.2
112.07610	0.1
115.05513	0.1
119.04948	5.6
121.02866	1.6
125.02368	0.2
127.03931	0.1
129.01819	0.4
131.04875	0.1
141.06973	0.2
144.48698	0.1
145.02846	1.6
145.06424	0.1
153.01831	12.4
154.02139	0.1
155.04900	0.2
157.06438	0.1
163.03926	1.0
165.06995	0.2
169.06473	0.2
171.02893	0.7
183.07982	0.1
184.38033	0.1
187.03896	0.4
192.16905	0.1
197.06039	0.3
202.06300	0.1
203.07057	0.2
209.18285	0.1
215.07018	0.1
218.91882	0.1
225.05457	0.6
229.04955	0.6
243.06554	0.9
243.10339	0.1
247.06000	0.4
253.04955	0.3
271.06012	100.0
272.06299	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0593
Annotation	Apigenin
Peak:m/z	Relative Intensity
65.03932	0.2
67.01521	0.1
67.01868	1.9
68.99790	1.3
69.03433	0.1
69.77084	0.4
76.51109	0.1
81.03417	0.1
88.94073	0.1
91.05478	1.9
97.02866	0.1
98.20732	0.1
111.00812	0.2
116.47525	0.1
118.06552	0.3
119.04948	5.8
121.01988	0.1
121.02864	1.8
124.07582	0.2
125.02371	0.1
127.03976	0.1
129.01839	0.2
131.04918	0.1
141.06985	0.2
145.02843	1.6
147.06801	0.1
148.07552	0.3
149.02266	0.1
153.01831	11.2
154.02237	0.1
155.04927	0.1
157.06474	0.1
163.03902	1.0
164.04062	0.1
169.06522	0.2
171.02914	0.6
173.05917	0.1
185.05952	0.1
187.03995	0.4
190.03331	0.1
197.06003	0.3
202.06403	0.1
203.07071	0.2
215.07065	0.1
225.05447	0.6
229.05035	0.5
243.06552	0.9
243.15099	0.1
247.06090	0.2
253.04985	0.2
271.06009	100.0
272.06348	1.2
289.15335	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	269.1748
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03938	3.7
55.01854	4.9
55.05515	21.0
56.96562	3.9
57.03175	2.5
57.03438	34.4
57.07063	5.7
65.03944	3.2
67.05505	79.6
69.03418	3.7
69.06712	2.1
69.07072	35.7
71.04984	9.0
71.08630	3.3
71.15800	2.5
73.02915	1.6
77.03938	1.5
79.01237	1.4
79.05050	2.5
79.05493	44.5
81.03412	4.3
81.07056	100.0
83.04993	9.7
83.08619	19.1
85.02895	3.8
85.06530	7.1
91.05484	25.4
93.07045	67.0
95.04969	8.2
95.08607	31.7
97.02884	3.7
97.06526	16.5
97.10158	3.3
98.97585	9.9
99.08084	5.5
105.04519	1.6
105.07037	11.5
107.05015	1.9
107.08598	42.4
109.06532	2.4
109.10199	7.7
111.08073	9.9
111.69978	1.6
113.09682	1.6
114.13322	1.5
116.98646	2.4
117.07036	11.4
119.08572	6.2
121.02861	5.6
121.06480	1.6
121.10149	28.8
123.11710	3.2
125.02352	2.6
131.08578	14.0
133.10118	14.2
135.11710	13.2
145.10139	3.6
147.11639	2.6
149.07414	4.4
149.13266	45.6
151.11157	2.6
157.10165	1.8
158.99591	3.3
159.08008	4.2
159.11729	18.7
161.13239	1.6
167.14334	1.5
177.00679	1.6
177.12770	9.1
181.06584	2.0
181.25970	1.5
185.54050	2.3
192.06657	2.3
195.12059	2.4
195.13785	13.5
219.01804	1.6
251.20192	2.2
269.07269	7.6
269.11356	2.8
269.17471	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	269.1747
Annotation	Trichotriol
Peak:m/z	Relative Intensity
53.03935	4.9
55.01860	2.2
55.05512	18.8
56.96561	4.0
57.03179	2.6
57.03438	33.4
57.07068	4.5
67.05507	75.4
69.07073	31.4
69.28741	3.6
69.29145	12.4
71.04971	7.2
71.08621	2.3
79.05053	3.1
79.05493	50.8
79.45552	1.8
81.03427	3.5
81.07059	100.0
83.04983	12.0
83.08623	18.3
85.02906	1.8
85.06531	6.8
91.05486	26.3
93.07045	70.0
95.04949	7.2
95.08612	27.0
97.06535	15.6
97.10151	2.7
99.08078	4.4
104.99258	3.6
105.07027	11.9
107.08598	37.8
109.06538	3.1
109.10152	5.8
110.21317	1.5
111.08109	8.1
113.06004	2.0
117.06971	10.2
119.08566	4.7
121.06483	1.7
121.10147	24.4
123.11681	2.2
125.05894	1.7
125.09650	1.7
129.06979	2.4
131.08577	12.7
133.10149	9.6
135.08015	3.5
135.11673	12.4
147.11694	2.3
149.13264	43.6
151.11191	1.9
156.68626	1.6
157.10118	2.7
157.18945	1.6
159.11688	17.0
167.14334	1.8
171.11708	1.8
171.15370	1.7
177.12720	9.5
195.13834	12.7
211.10730	3.0
220.38951	1.5
223.01202	1.5
226.38896	1.6
241.05566	2.0
269.17413	40.2
269.22296	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1747
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.81193	1.2
53.03949	3.0
55.01865	4.1
55.05256	1.3
55.05513	19.1
57.03440	36.4
57.07069	7.0
59.04991	1.2
65.03939	1.9
67.05509	77.2
69.06711	1.8
69.07071	32.2
69.26458	5.2
69.26886	5.8
69.32118	1.2
71.04997	5.7
71.08617	1.4
79.05054	2.4
79.05498	46.5
81.03422	2.3
81.07059	100.0
83.04987	11.4
83.08622	17.7
85.06547	5.2
85.36538	1.2
91.05486	22.5
92.17868	1.2
93.07048	74.3
95.04976	5.7
95.08607	29.5
97.06530	15.8
97.10172	1.6
99.08083	4.9
104.99255	3.7
105.07029	7.6
107.08601	34.8
109.06509	2.3
109.10150	3.7
111.08082	9.8
111.11675	1.8
113.09673	1.5
117.07021	8.5
119.08571	3.4
121.06496	2.4
121.10157	22.6
123.11725	2.0
125.09666	1.6
129.35031	1.2
131.08574	9.8
133.09315	1.4
133.10141	11.3
134.48885	1.0
135.08038	2.0
135.11697	10.8
139.11165	3.8
145.10159	1.4
147.11650	2.4
149.09561	1.3
149.13271	51.2
159.11699	18.9
165.12769	1.1
177.12758	9.1
195.13815	13.5
209.27322	1.3
269.17447	37.2
269.22455	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1746
Annotation	Arteincultone
Peak:m/z	Relative Intensity
53.03936	3.7
55.01868	3.1
55.05513	20.4
57.03182	2.4
57.03437	37.7
57.07059	6.2
65.03926	2.2
66.91329	1.3
67.05504	75.8
67.05865	3.5
68.99773	3.5
69.06712	2.4
69.07068	34.0
69.37601	12.0
71.05003	7.2
79.05050	2.7
79.05492	44.8
81.03430	3.5
81.07056	100.0
83.04982	9.5
83.08617	17.2
85.06558	7.9
89.51974	1.5
91.05488	20.0
92.18448	1.3
93.06458	3.3
93.07047	65.6
95.04964	6.4
95.08046	1.9
95.08611	29.2
97.06091	1.4
97.06541	15.0
97.10159	3.9
99.08064	4.6
104.99252	5.3
105.07031	9.4
107.08595	43.0
109.06496	2.9
109.10137	4.6
111.00795	5.2
111.04424	1.4
111.08083	10.1
117.06982	8.6
119.08604	3.5
121.06483	1.7
121.09309	1.9
121.10142	26.2
123.11688	2.9
131.08557	8.3
133.10139	8.4
135.08052	2.2
135.11713	10.3
139.00232	7.6
139.11185	1.7
147.11658	3.1
149.13254	54.2
151.11182	2.1
157.01332	6.7
157.10158	1.6
159.11716	19.0
171.11691	2.2
173.13155	1.9
177.12697	9.4
195.13799	14.7
251.20078	1.8
269.17371	35.5
269.22336	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	269.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.9
55.01860	2.2
55.05512	18.8
56.96561	4.0
57.03179	2.6
57.03438	33.4
57.07068	4.5
67.05507	75.4
69.07073	31.4
69.28741	3.6
69.29145	12.4
71.04971	7.2
71.08621	2.3
79.05053	3.1
79.05493	50.8
79.45552	1.8
81.03427	3.5
81.07059	100.0
83.04983	12.0
83.08623	18.3
85.02906	1.8
85.06531	6.8
91.05486	26.3
93.07045	70.0
95.04949	7.2
95.08612	27.0
97.06535	15.6
97.10151	2.7
99.08078	4.4
104.99258	3.6
105.07027	11.9
107.08598	37.8
109.06538	3.1
109.10152	5.8
110.21317	1.5
111.08109	8.1
113.06004	2.0
117.06971	10.2
119.08566	4.7
121.06483	1.7
121.10147	24.4
123.11681	2.2
125.05894	1.7
125.09650	1.7
129.06979	2.4
131.08577	12.7
133.10149	9.6
135.08015	3.5
135.11673	12.4
147.11694	2.3
149.13264	43.6
151.11191	1.9
156.68626	1.6
157.10118	2.7
157.18945	1.6
159.11688	17.0
167.14334	1.8
171.11708	1.8
171.15370	1.7
177.12720	9.5
195.13834	12.7
211.10730	3.0
220.38951	1.5
223.01202	1.5
226.38896	1.6
241.05566	2.0
269.17413	40.2
269.22296	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	0.9
55.05519	0.9
56.99457	0.3
58.85042	0.4
61.01154	3.7
65.03943	3.7
67.05503	1.2
69.03437	1.0
69.07053	1.0
69.67409	2.1
70.72315	0.3
71.04986	0.7
71.06120	0.5
72.04514	3.7
78.03796	9.3
79.01234	0.3
79.05514	1.0
81.03400	0.7
81.07070	1.2
83.08633	0.5
85.06565	0.8
86.06069	1.4
89.64457	0.3
91.05481	0.7
93.03426	1.0
93.07053	1.3
95.04974	1.5
95.08614	1.0
97.02882	0.5
102.03770	16.2
103.02186	0.6
105.07054	0.9
107.08596	0.8
109.02876	0.5
109.06517	0.4
109.10196	0.6
111.04446	0.6
111.08096	0.4
114.03755	1.2
115.08704	0.7
119.08598	0.7
120.04842	1.9
121.02870	100.0
122.03217	0.8
125.02326	1.1
125.09632	1.4
131.06395	10.0
132.04791	7.4
138.05554	0.5
149.07443	74.6
150.05496	4.4
151.11208	0.7
161.79933	0.4
181.03200	0.5
182.97485	0.4
187.92224	0.4
191.52199	0.4
192.06563	19.6
198.05788	0.7
251.16539	0.5
251.20059	0.8
252.06812	0.4
269.06873	0.6
269.09595	9.9
269.12433	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14706	0.2
55.71532	0.2
60.45832	0.2
69.77521	1.5
75.09520	0.3
78.87334	0.2
98.21497	0.3
98.97556	0.8
101.00870	1.1
102.00948	2.2
103.00636	2.5
104.00948	0.2
107.10542	0.2
113.06937	0.2
116.98623	0.4
119.01930	3.0
120.02007	4.2
121.01676	5.6
122.02002	0.5
136.99699	0.5
137.02916	0.3
137.99683	0.7
138.03004	0.5
139.02681	0.6
143.98723	0.5
160.99583	1.3
161.99728	2.4
177.00880	0.8
178.01036	0.9
179.00699	8.6
180.00801	15.8
180.64507	0.3
181.00439	0.8
185.99727	0.7
203.00708	0.9
204.00784	2.6
204.03979	0.3
205.00192	0.4
219.01913	0.8
219.03918	0.7
220.02025	0.8
220.04024	2.7
221.01773	7.4
222.01909	21.6
223.01575	1.2
228.00763	2.4
237.00462	0.3
245.01750	2.2
245.12160	0.3
246.01929	12.8
247.01617	0.6
263.02866	14.1
264.03012	100.0
265.02673	4.1
269.03610	0.5
269.12189	0.4
278.04526	0.4
287.04590	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	268.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
56.05040	5.6
67.05508	5.3
70.06598	2.1
70.56151	0.9
81.07082	0.5
84.08146	100.0
90.03436	2.9
97.08905	1.4
98.09689	4.1
99.00008	1.3
107.08600	0.5
109.10162	1.6
121.02869	0.7
122.46128	0.4
124.11237	0.4
125.02321	2.1
125.75482	0.4
126.01078	44.0
126.12797	84.3
128.02591	2.4
144.02126	0.6
205.10002	0.5
222.11157	0.4
232.97992	0.4
268.04083	2.6
268.15463	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
55.01862	0.2
55.47894	0.2
56.96560	0.5
57.03426	0.5
57.48022	0.2
69.03428	0.5
69.99407	0.8
70.06590	0.3
71.01363	0.3
73.02915	0.3
75.04527	0.2
79.23727	0.2
85.02896	0.7
89.06036	0.3
93.10609	0.2
94.04079	0.5
97.02881	0.4
98.97583	0.5
112.07600	0.3
115.03892	0.3
119.03535	1.0
124.39613	0.2
136.06186	100.0
137.04584	0.4
137.06532	0.5
145.58994	0.2
150.05461	0.3
151.05820	0.4
152.07048	0.2
153.01826	0.4
201.00816	0.3
208.13396	0.2
210.11197	0.2
244.99825	0.4
263.00766	0.4
268.10239	4.8
268.15445	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1955
Annotation	Acritoconfertic acid
Peak:m/z	Relative Intensity
53.03929	1.5
55.05519	8.4
56.96540	3.0
57.03424	2.6
57.07047	5.4
57.07298	1.1
65.03894	1.5
67.05505	12.5
69.03407	1.6
69.07073	8.5
70.99039	2.1
70.99362	1.3
71.04958	1.4
71.08614	1.8
79.05492	11.1
81.03419	13.7
81.07065	29.1
83.04943	3.7
83.08624	6.3
85.06530	1.7
91.05480	15.7
93.07045	22.1
95.04923	3.8
95.08612	32.7
97.06475	4.3
99.08047	1.7
103.34759	1.5
105.07033	35.3
107.08603	22.2
109.06483	2.6
109.10146	15.0
111.08080	10.1
115.05439	1.7
117.07003	2.8
119.08587	50.3
121.06460	2.2
121.10153	18.0
121.27217	1.4
123.07997	5.8
123.11643	4.8
125.09663	7.2
128.06238	1.6
129.07033	6.4
130.07732	2.5
131.08574	21.3
133.06358	1.5
133.10149	34.5
135.08046	2.8
135.11687	6.9
137.09576	3.0
139.11171	2.3
142.07726	5.0
143.08565	10.4
144.09280	2.0
145.10129	53.0
147.04306	1.5
147.08020	1.4
147.11696	23.0
149.09535	4.8
149.13275	6.3
151.11153	1.6
155.08473	2.4
156.09258	5.2
157.10139	19.3
158.10825	3.0
159.11711	28.6
161.09569	1.5
161.13258	7.5
163.11159	3.1
163.14861	8.3
165.12662	2.7
169.10051	3.1
170.10812	3.2
171.11710	19.7
172.12430	7.9
173.13237	19.2
175.11035	4.1
175.14835	15.4
177.12718	2.2
177.16273	3.6
183.11629	2.0
184.12476	1.9
185.13255	7.9
187.14832	100.0
188.15327	1.9
189.12628	2.6
189.16263	5.6
191.14326	20.7
193.04816	2.0
193.12172	3.0
197.13139	3.4
198.13855	1.8
201.16389	24.4
203.14224	2.4
203.17825	5.4
205.15881	8.6
207.02733	1.4
207.17421	2.0
209.91928	1.3
211.14607	2.3
213.16396	37.2
219.17433	8.6
221.04468	2.6
227.01685	1.3
231.17458	65.8
249.03918	5.9
249.16158	1.3
249.18503	18.7
250.15112	1.2
263.98016	1.4
267.16000	3.9
267.19394	61.8
285.09955	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	267.1705
Annotation	bucolome
Peak:m/z	Relative Intensity
53.03948	0.9
55.01856	0.8
55.05510	2.2
55.91776	0.5
56.05033	5.9
56.29119	0.5
57.07066	0.6
60.41961	0.6
67.05506	12.9
69.03445	1.2
69.87405	1.2
69.87823	1.8
70.06607	4.5
78.48666	0.7
79.05498	1.5
79.73881	0.7
81.03423	1.1
81.07053	2.9
84.08146	100.0
86.52451	0.5
91.05475	1.2
92.24124	0.6
93.07011	0.7
95.04971	0.9
95.08627	1.4
96.04495	0.7
97.02875	0.9
97.08904	1.3
98.09705	5.5
98.20755	0.7
99.04479	0.8
100.52119	0.6
105.03395	0.9
105.07036	1.6
106.01804	0.5
109.02887	1.7
109.06541	0.6
109.10167	4.5
112.03967	2.4
113.04263	0.8
115.31246	0.5
121.10126	1.0
123.04516	0.8
123.08118	0.7
124.03963	15.0
124.11197	0.7
126.01099	1.7
126.12795	67.7
127.03915	0.9
127.76932	0.5
131.08563	0.6
140.03419	3.3
141.03726	3.0
141.21655	0.6
142.04973	2.0
144.13847	19.4
147.04430	0.7
150.06197	0.7
153.01825	1.0
159.08078	0.6
178.06250	1.5
179.03381	0.9
219.13867	0.8
249.03973	1.7
267.17038	85.7
267.23239	1.9
268.11884	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03950	4.2
55.01865	2.3
55.05510	6.8
57.03439	21.1
60.66130	0.7
62.39520	0.7
63.69756	0.6
67.05503	12.9
69.03440	2.7
69.07059	3.8
71.04996	1.9
71.30844	1.4
79.05495	12.2
79.69823	0.6
81.03420	100.0
81.07059	13.3
83.04980	7.1
83.08628	16.7
85.06530	0.8
91.05483	19.2
93.07055	9.0
95.04974	23.0
95.08616	5.1
96.22095	0.7
97.02874	1.9
97.06544	1.1
97.10217	1.6
105.07033	14.3
107.04957	4.7
107.08611	4.4
109.06536	2.5
109.10188	2.3
111.04445	1.2
111.08076	4.9
115.05440	1.6
116.06218	1.0
117.06989	1.1
119.08588	11.2
121.06509	1.6
121.10120	3.9
123.08083	1.9
123.11713	1.4
129.07010	7.7
131.08578	7.7
133.06505	3.2
133.10159	3.5
137.09621	1.5
142.07814	2.2
143.08589	0.7
145.10103	1.3
147.08086	2.6
147.11711	7.1
149.09610	4.4
157.10153	8.3
165.12784	2.3
175.11194	10.0
188.70642	0.9
193.12256	20.4
194.96394	0.7
197.13297	1.4
211.13289	2.3
237.14789	0.8
244.65263	0.7
249.14925	0.7
267.15921	43.9
267.21045	2.2
285.09897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Alliacolide
Peak:m/z	Relative Intensity
50.15007	0.6
53.03943	4.3
55.01879	2.4
55.05515	7.2
56.96561	1.5
57.03437	19.3
57.07075	1.7
65.70829	0.5
67.05505	14.3
67.20631	0.5
67.89967	0.5
68.71498	0.5
69.03434	2.2
69.07069	4.6
71.05001	1.4
71.08649	0.8
76.28605	0.6
79.05502	13.0
80.56037	0.6
81.03419	100.0
81.07059	14.0
83.04977	5.7
83.08622	14.8
83.16816	0.5
84.08151	2.0
85.02905	0.8
85.06526	1.1
91.05480	16.9
93.07050	7.8
95.04967	20.5
95.08603	7.7
97.02887	2.2
97.06541	1.4
97.10181	2.9
98.21593	1.1
98.97578	1.1
101.92577	0.6
105.03425	1.1
105.07027	13.0
107.04936	5.2
107.08580	3.1
109.06523	3.8
109.10158	2.6
111.04450	1.4
111.08069	5.8
112.69904	0.6
115.05423	1.3
117.07035	1.6
119.04919	1.2
119.08584	12.0
121.06493	3.0
121.10132	5.4
123.08075	2.3
123.11639	0.8
126.12775	1.0
127.13124	0.6
129.07008	7.0
129.51840	0.6
131.08578	7.0
133.06473	3.0
133.10162	4.1
135.11685	0.7
137.05994	0.6
137.09657	1.7
142.07799	2.1
145.10095	1.6
147.04393	1.5
147.08122	3.4
147.11685	7.1
149.09625	4.2
157.10139	8.0
163.11151	0.7
165.12747	2.1
175.03987	0.6
175.11203	7.7
185.04921	0.8
193.04947	0.9
193.12228	17.2
205.12134	0.8
211.13264	2.5
221.04509	0.6
231.64902	0.6
249.03905	2.2
249.14914	1.3
267.09076	4.9
267.15860	42.6
268.16287	0.7
285.10052	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	267.159
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03948	5.1
54.77205	0.8
55.01865	1.6
55.05515	5.0
57.03179	1.1
57.03440	19.6
59.06117	2.4
60.05639	1.0
67.05499	12.3
69.03414	2.0
69.07058	2.5
69.81873	0.7
70.06625	1.0
70.73546	2.5
71.04988	1.4
79.05493	11.5
81.03417	100.0
81.07055	10.1
83.04972	5.0
83.08619	12.3
83.61809	0.8
85.07648	1.4
91.05481	18.7
93.07047	7.4
95.04972	19.3
95.08586	5.2
97.02898	1.8
97.07626	0.9
97.10151	1.5
98.21536	0.9
105.07032	13.1
107.04981	4.3
107.08614	3.5
109.06503	2.0
109.10168	1.2
110.07215	1.3
111.04408	1.2
111.08087	4.9
111.09182	1.3
112.08746	1.9
114.10251	1.1
114.86041	0.9
115.06159	1.0
117.06985	1.3
119.08572	11.4
121.06499	1.7
121.10152	3.8
123.08117	1.0
125.70918	1.0
128.06332	0.9
129.06998	8.8
131.08572	6.9
133.06514	2.4
133.10112	4.9
142.07784	1.8
147.08066	2.8
147.11668	6.0
149.09598	3.1
157.10110	8.5
165.12730	0.9
175.11183	7.1
181.14545	1.0
193.12256	14.6
197.13274	1.5
211.13226	1.8
249.14774	1.1
267.11691	1.5
267.15921	34.4
267.18283	1.6
267.21393	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	267.0652
Annotation	Aristolide B
Peak:m/z	Relative Intensity
55.05502	0.6
56.96555	0.5
57.03440	1.2
57.07051	0.2
58.85063	0.3
62.82346	0.2
67.05495	1.2
69.07059	1.1
70.80429	0.6
79.05478	0.9
81.02979	0.3
81.03419	4.2
81.07062	1.2
83.04971	0.5
83.08612	0.6
91.05490	1.9
91.44385	0.3
93.07033	0.5
95.04965	0.9
95.08595	0.9
95.45791	0.3
102.05669	0.3
105.07056	1.3
107.04968	0.4
107.08597	0.4
109.06532	0.4
109.10162	0.5
111.08080	0.5
119.04896	0.3
119.08585	0.9
121.10145	0.5
123.08133	0.3
127.05443	0.6
131.08553	0.4
133.02791	0.3
133.10121	0.6
139.05418	1.1
141.56602	0.3
145.10117	0.4
147.04460	0.4
147.11630	0.6
150.04730	0.3
151.05414	1.3
152.06198	0.9
153.06999	10.5
155.04854	1.3
155.08521	0.4
157.10115	0.5
163.59825	0.3
165.06956	0.3
167.04950	1.4
169.06514	0.7
171.55717	0.2
173.02979	0.3
175.03952	0.3
175.11240	0.4
179.04893	2.5
181.06483	4.5
184.10214	0.3
189.25366	0.3
193.04932	0.2
193.12244	0.6
196.05157	0.3
197.04297	0.5
197.05984	5.5
203.03317	0.3
209.05983	54.7
210.06447	1.0
211.07561	3.6
221.04369	0.5
224.04758	0.6
225.05518	3.5
237.05472	19.3
238.05785	0.3
239.07019	1.4
249.03947	0.9
266.05786	2.5
267.06525	100.0
267.15787	2.6
267.23438	0.6
268.06842	1.8
285.10144	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.2116
Annotation	Deacetyllycoclavine
Peak:m/z	Relative Intensity
52.46928	0.4
53.03946	3.6
55.05507	2.6
56.05036	4.6
56.96590	1.0
65.03921	0.6
67.05508	8.2
69.07089	1.4
70.06599	2.0
71.05007	0.6
79.05499	0.8
81.03420	12.7
81.03904	0.7
81.07068	2.9
82.06596	0.6
82.07439	0.5
83.08627	1.4
84.08144	100.0
85.02949	0.8
91.05485	0.9
93.07061	1.6
95.04977	0.7
95.08611	12.1
97.08932	1.0
98.09701	3.8
98.21432	1.2
98.97581	1.8
101.00931	0.6
105.07045	0.8
109.10147	1.7
109.59557	0.5
110.97550	0.5
111.90701	0.5
119.04936	1.2
123.08070	10.5
124.11257	2.3
125.11555	2.2
126.12795	83.1
144.13821	9.7
147.04393	4.4
158.99745	0.5
161.02888	0.8
203.87836	0.7
219.08852	0.7
229.02835	0.5
229.07384	0.5
237.02667	0.9
266.20984	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1574
Annotation	Esprocarb
Peak:m/z	Relative Intensity
50.66616	0.4
55.05503	0.7
58.99576	1.8
61.01139	0.7
67.05498	0.8
68.05031	1.0
69.03419	0.9
69.56029	3.4
70.06579	1.3
79.05481	0.9
81.03416	0.7
81.07028	0.6
82.06568	1.7
84.04517	0.7
84.08145	1.4
85.01120	1.8
91.05487	1.5
93.05846	0.4
93.07042	1.3
94.06557	1.9
95.08582	0.6
96.20205	0.4
97.02879	1.1
99.02683	0.5
100.02181	1.2
102.03730	0.7
105.07025	2.1
107.07285	0.5
107.08607	1.3
108.08143	0.7
109.02887	1.4
110.06042	0.7
111.02659	1.0
112.03989	3.3
115.05451	0.4
117.07053	0.6
119.08583	1.8
119.59323	0.4
120.08094	0.6
121.10151	0.8
122.09642	0.8
124.07575	1.7
124.11240	2.5
125.04240	0.9
125.11528	1.5
126.03747	20.1
126.12777	0.7
128.05345	2.8
128.06189	0.8
129.06976	0.5
130.07785	0.4
131.08556	2.1
140.03447	4.8
143.08569	1.1
145.10100	1.2
147.11662	0.9
148.11255	1.0
149.04199	1.5
149.13260	0.7
151.05772	1.1
156.09262	0.6
157.10117	1.6
158.09647	0.9
158.10840	0.6
159.10417	0.6
163.05798	1.2
164.05266	0.6
165.07359	0.8
166.06871	1.2
171.11684	1.1
172.11195	0.7
172.12526	0.8
173.13316	0.5
174.12805	1.1
176.10658	0.6
177.05878	0.8
177.89685	0.5
181.15511	0.4
183.08258	0.6
186.12779	0.6
188.14351	1.0
192.08371	2.9
200.14413	0.9
203.77368	0.4
205.10591	0.8
206.10034	0.6
206.15384	1.1
210.09387	0.6
214.15910	0.7
232.16994	0.5
248.14729	1.6
249.13139	0.9
264.86578	0.4
266.15759	100.0
266.23151	8.1
267.16095	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.5
55.01874	2.5
56.05035	1.5
61.02928	4.6
65.03939	1.1
67.05506	17.9
69.03431	15.8
71.04966	1.1
71.60432	1.8
79.05481	2.9
81.03422	11.6
81.07061	2.3
81.99965	0.9
82.02933	1.2
83.41755	0.9
84.04484	1.3
85.02892	1.1
86.53828	0.9
91.05463	3.9
91.78352	0.9
94.06563	2.6
95.04958	11.6
96.04475	3.9
97.02897	26.7
99.04453	2.1
105.07017	2.9
107.07301	2.4
108.08121	9.4
109.02877	9.3
110.06035	4.0
111.04436	1.0
112.03992	5.6
120.08013	1.3
122.06004	3.6
122.09659	3.8
124.11225	2.8
125.06052	1.3
125.11535	3.2
125.25970	0.9
127.03928	7.4
131.07259	0.9
134.06006	1.1
136.07567	1.8
140.03432	8.0
140.07072	13.2
142.56320	1.0
146.09572	1.1
150.09152	18.3
152.07074	36.2
152.10658	1.1
160.11148	1.2
166.08607	3.5
168.31041	1.0
173.08417	1.2
176.10703	1.1
178.08638	60.7
180.10207	2.7
182.08131	1.4
182.11679	1.0
188.10664	3.0
190.08620	1.2
192.06543	2.1
192.10182	6.3
194.08173	1.1
202.08675	1.5
202.12228	1.9
204.10217	1.3
206.08130	100.0
206.11815	3.0
208.09619	1.4
218.08119	6.0
218.11755	1.6
220.09714	6.0
220.13312	1.4
230.11829	1.6
236.09158	3.6
248.09195	14.2
248.12740	4.8
262.22903	1.0
266.10214	9.3
266.13831	17.3
266.23093	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	266.0362
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92679	0.1
62.74848	0.1
69.78989	0.1
70.02070	0.2
70.02448	0.2
82.99890	0.3
98.97608	0.2
101.00888	4.5
107.77937	0.1
116.98814	0.3
119.01924	11.7
120.02036	0.3
121.01654	0.2
122.97781	0.2
133.03453	0.1
134.99898	0.7
137.02969	2.1
140.98816	0.6
142.03522	0.2
146.01781	0.1
153.00966	0.3
158.99899	2.6
162.03265	0.1
165.99710	0.2
167.90463	0.1
175.03058	0.4
177.00958	24.2
178.01003	0.5
178.94177	0.1
182.99756	0.8
183.01294	0.1
193.04074	0.4
195.02031	0.3
199.03038	0.3
200.02559	0.3
201.00911	2.4
201.02472	0.3
202.01131	0.1
214.15787	0.1
217.04092	3.7
219.02014	27.1
219.94547	0.6
220.02151	1.0
221.02397	0.1
224.00140	0.1
225.00841	2.3
234.00641	0.2
237.95509	0.4
242.03574	0.4
242.96562	0.6
243.01987	13.4
244.02103	0.2
260.04788	0.2
261.03067	100.0
262.03177	2.0
263.03409	0.5
266.03500	0.5
266.08029	0.2
275.04691	0.6
284.04666	2.9
285.05060	0.1
286.45483	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	265.2275
Annotation	10alpha-Hydroxymethylsparteine
Peak:m/z	Relative Intensity
51.96306	0.5
52.24064	0.5
55.05504	0.5
56.05046	2.6
56.96559	1.8
57.82114	0.5
58.06598	4.3
67.05496	1.0
69.03432	3.9
69.07066	0.7
70.06585	1.8
71.61186	0.5
71.61568	0.8
77.42959	0.4
79.05491	0.6
81.07048	1.3
82.06576	1.6
84.08146	2.0
89.59170	0.4
95.08625	1.2
96.08099	1.1
96.65654	0.4
97.02913	0.9
98.09680	1.5
98.97607	1.4
101.00871	5.1
104.99276	4.9
105.07066	0.6
106.99672	0.9
107.08571	1.2
107.12653	0.4
107.59821	0.4
109.10140	1.0
110.09673	0.7
115.02412	0.5
116.98599	0.6
119.01917	6.0
119.08558	0.6
121.10107	0.8
122.07165	0.6
124.11230	53.6
125.09645	6.3
131.01883	0.9
133.03439	0.6
136.11197	1.5
142.12286	3.3
143.01915	1.4
145.01646	0.6
145.03462	0.6
149.13269	0.5
150.12796	4.7
154.12259	0.5
157.03447	2.1
161.03015	1.5
163.02695	1.1
164.14336	1.8
168.13867	4.3
175.02716	0.6
175.04552	1.4
176.14452	0.7
176.93379	1.4
177.00952	1.1
177.94203	1.5
190.15892	0.9
194.94472	1.0
201.00822	0.7
203.23750	0.7
205.05495	1.0
218.94455	6.8
219.01952	2.8
221.20164	1.0
223.06633	1.7
223.18106	0.5
224.02327	0.6
236.95479	2.8
241.96005	7.1
247.21677	6.2
248.20143	0.5
253.52847	0.6
259.97165	0.7
261.03012	4.7
264.97638	0.6
265.07730	11.5
265.22754	100.0
266.23160	1.1
289.34003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.2
56.05028	1.2
56.96564	1.0
58.06609	7.1
59.28339	0.5
67.05502	2.2
69.03408	1.7
69.07056	0.9
70.06587	1.9
70.71286	1.0
71.05003	0.6
72.08160	3.5
77.95560	0.4
79.05492	1.3
81.07047	2.0
82.06575	2.2
84.08131	2.2
85.06545	0.8
91.05461	0.7
93.07025	0.9
95.08589	1.6
95.31263	0.5
96.08135	1.6
97.02920	1.0
98.09689	2.7
98.97603	3.4
100.07629	0.6
101.00879	1.4
105.06962	0.5
107.08601	1.4
108.08108	0.5
109.10141	1.5
110.09687	5.2
116.10745	3.7
116.98639	0.6
119.01890	1.9
119.08569	0.6
121.10104	0.6
122.07162	1.2
122.09686	0.5
122.35110	0.5
124.11237	46.5
125.09641	1.3
126.12760	1.0
136.11191	0.9
142.12280	2.7
143.01953	1.0
147.04370	0.6
150.12790	7.6
164.06938	0.5
164.14331	1.2
168.13847	13.4
175.04385	0.6
176.14348	0.6
177.01819	0.9
185.97414	0.6
190.15874	1.0
191.03439	1.9
202.15977	0.5
204.17493	0.8
205.17023	0.7
219.02827	0.9
221.20197	2.4
223.06703	0.7
247.02327	1.1
247.21703	8.2
265.03464	2.7
265.07907	2.7
265.22763	100.0
266.14050	0.6
266.23074	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2276
Annotation	10alpha-Hydroxymethylsparteine
Peak:m/z	Relative Intensity
55.05506	0.5
56.05030	1.1
56.96555	0.5
57.03453	0.5
58.06602	9.2
61.02933	0.8
67.05496	1.2
69.03440	1.8
70.06593	1.6
70.73040	0.9
71.05000	0.4
72.08151	4.1
73.02896	0.7
79.05482	0.8
81.03418	0.5
81.07055	1.1
82.06583	3.2
84.08146	1.4
85.02917	2.3
88.99107	0.4
91.05460	0.6
93.07043	1.2
95.08613	1.5
96.01452	0.3
96.08133	2.6
97.02888	1.6
98.09699	3.3
98.97548	0.9
101.00902	2.7
103.66005	0.4
105.07030	0.6
107.08585	1.2
108.08109	0.5
109.10135	0.8
109.81496	0.4
110.09686	4.9
110.38470	0.4
112.99122	1.4
115.02432	0.4
116.10745	4.7
119.01908	2.2
119.08654	0.7
121.10139	0.6
122.07131	0.4
122.09674	1.0
124.11230	54.5
125.09618	1.1
126.12798	2.0
127.03890	0.7
131.00195	0.5
133.03394	0.8
134.09660	0.4
135.03139	0.5
135.10445	0.5
136.11211	1.2
142.12263	2.7
143.01889	1.2
145.03418	0.7
147.11690	0.4
148.11203	0.5
149.13281	1.2
150.12782	12.9
152.14349	0.4
157.03453	1.3
159.04944	0.5
161.02992	0.8
161.04451	0.5
161.05681	0.4
161.13284	0.7
162.12764	0.7
163.04510	0.5
164.14333	2.8
168.13843	16.5
169.04411	0.9
175.02800	0.5
175.04411	0.8
176.14371	1.4
177.04205	0.6
178.04990	2.5
178.15901	0.8
180.17418	0.4
190.15855	1.8
202.15941	0.5
204.17424	1.2
205.05600	0.5
208.16933	0.5
218.19003	0.5
221.20131	4.9
223.06624	1.5
230.18970	0.4
247.19217	0.7
247.21719	12.3
247.24234	0.8
260.10663	0.4
265.07773	4.5
265.22751	100.0
266.22974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1548
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03951	0.2
55.01878	0.4
55.05518	0.5
56.05050	0.5
56.96560	0.5
57.03432	0.4
57.05820	0.4
57.96979	0.2
58.06601	1.6
67.05513	0.8
69.03436	0.6
69.07074	0.3
70.06590	2.3
71.60737	0.3
72.08157	100.0
73.08501	0.2
79.05506	1.0
81.03421	0.4
81.07068	1.0
82.06583	0.6
84.04504	0.4
84.08156	0.5
85.02904	0.2
91.05482	0.7
93.07070	0.5
95.04999	0.3
95.08615	0.9
96.08121	0.6
97.02892	0.6
98.09696	0.8
98.97608	0.3
105.07024	0.3
106.37055	0.2
107.04939	0.2
107.08605	0.7
109.02891	0.6
109.06524	0.2
109.10165	1.3
110.09684	0.5
116.10728	0.3
119.01954	0.2
119.08578	0.5
120.08109	1.1
121.02865	0.8
121.10177	0.2
123.08109	0.2
124.07559	0.2
124.11234	9.4
125.09627	0.5
129.07011	0.2
131.08568	0.4
133.06483	0.3
133.36327	0.2
135.04413	0.3
135.11696	0.2
136.11237	0.2
139.03928	0.2
139.14615	0.2
142.12292	0.8
145.02841	0.7
145.06487	0.3
147.04483	0.5
147.08018	0.3
149.13240	0.2
150.12785	1.2
151.07520	0.4
153.01802	0.4
159.08087	0.4
163.03941	0.7
164.14339	0.4
165.01889	0.2
168.13857	2.0
175.04022	0.3
175.07518	0.4
177.01852	0.6
177.05453	0.6
185.10747	0.2
186.11546	0.6
187.07535	0.3
191.03409	0.8
193.01318	0.4
201.13905	0.4
203.03575	0.2
203.15448	0.3
205.01335	0.8
205.08466	0.2
214.10936	0.4
217.08527	0.3
219.02917	0.9
221.20245	0.4
223.02408	0.2
229.13498	1.5
247.02348	0.8
247.09500	0.3
247.14439	0.7
247.21758	0.8
265.03442	2.7
265.07068	0.7
265.11288	0.4
265.12375	0.4
265.15479	10.1
265.22757	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	265.1437
Annotation	Hydroxyanthecotulide
Peak:m/z	Relative Intensity
53.03930	4.2
55.01859	3.4
55.05500	4.8
56.96555	2.5
57.03433	2.2
57.07061	5.2
58.06588	6.7
59.04987	2.2
62.39902	1.4
65.03941	3.0
67.05509	8.1
68.99781	1.8
69.03430	9.4
69.07056	4.1
69.94110	5.0
71.04955	2.2
72.08130	1.5
73.05839	1.4
73.06555	4.3
77.23682	1.6
79.05480	9.6
79.52428	1.4
81.03420	18.5
81.07062	10.9
82.06596	2.6
83.04983	12.6
83.08633	3.1
84.08141	1.9
85.02888	5.3
85.06532	2.7
88.03976	3.8
89.03907	3.3
91.05479	17.3
93.03368	1.7
93.07040	15.2
95.04968	7.2
95.08597	7.8
96.08136	2.1
97.02902	3.6
97.06556	8.4
98.09692	3.4
98.21416	1.7
98.97576	2.7
99.04466	1.4
102.05534	5.3
103.05455	2.8
105.07028	11.4
107.04930	2.7
107.08601	21.3
109.02875	5.9
109.06526	16.1
109.10146	4.3
111.04443	3.2
111.08092	5.7
115.05453	3.9
117.07028	11.4
119.04868	2.1
119.08580	20.0
120.08107	22.4
121.02864	23.7
121.06525	17.8
121.10139	6.1
123.04408	3.3
123.08043	4.0
124.11237	38.5
125.06065	1.5
125.09606	5.1
126.01067	3.3
127.03924	2.9
129.06976	1.6
131.08545	6.6
131.32010	1.3
133.06494	2.0
133.10129	5.6
135.04453	2.9
135.08057	36.9
135.09071	2.1
135.11671	7.8
137.05954	2.0
137.09625	4.7
139.03943	6.8
139.07527	1.8
142.12274	1.7
143.08582	2.3
145.06503	10.0
145.10143	5.4
147.04379	3.2
147.08057	4.5
148.05981	2.1
149.02232	1.7
149.05948	6.2
149.09596	5.3
150.12781	6.0
151.07539	12.0
152.10648	1.6
153.09155	7.8
159.08084	2.2
159.11700	9.1
161.09663	5.7
163.03909	5.6
163.07549	29.4
163.11200	4.7
165.09097	2.7
166.08676	7.4
168.13843	10.3
172.08749	2.4
173.05927	4.0
173.09659	2.0
173.13246	6.7
177.01825	2.4
177.12781	5.3
181.08604	19.2
182.99681	3.9
183.11607	1.4
185.13258	1.9
186.10423	2.6
187.11172	8.2
189.09111	2.0
190.15929	1.6
191.03369	2.3
191.07071	7.4
201.00728	1.9
201.12769	5.5
205.01389	2.6
205.08754	1.8
205.12265	10.7
209.08115	28.5
219.13844	5.1
220.13368	2.1
221.20180	2.0
229.12265	6.8
235.39738	1.6
247.02376	3.5
247.13237	10.7
247.16914	2.2
247.21793	5.8
248.13193	1.6
265.03421	3.6
265.07086	6.9
265.09857	3.6
265.14380	69.5
265.17987	3.1
265.22757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01859	3.4
55.05500	4.8
56.96555	2.5
57.03433	2.2
57.07061	5.2
58.06588	6.7
59.04987	2.2
62.39902	1.4
65.03941	3.0
67.05509	8.1
68.99781	1.8
69.03430	9.4
69.07056	4.1
69.94110	5.0
71.04955	2.2
72.08130	1.5
73.05839	1.4
73.06555	4.3
77.23682	1.6
79.05480	9.6
79.52428	1.4
81.03420	18.5
81.07062	10.9
82.06596	2.6
83.04983	12.6
83.08633	3.1
84.08141	1.9
85.02888	5.3
85.06532	2.7
88.03976	3.8
89.03907	3.3
91.05479	17.3
93.03368	1.7
93.07040	15.2
95.04968	7.2
95.08597	7.8
96.08136	2.1
97.02902	3.6
97.06556	8.4
98.09692	3.4
98.21416	1.7
98.97576	2.7
99.04466	1.4
102.05534	5.3
103.05455	2.8
105.07028	11.4
107.04930	2.7
107.08601	21.3
109.02875	5.9
109.06526	16.1
109.10146	4.3
111.04443	3.2
111.08092	5.7
115.05453	3.9
117.07028	11.4
119.04868	2.1
119.08580	20.0
120.08107	22.4
121.02864	23.7
121.06525	17.8
121.10139	6.1
123.04408	3.3
123.08043	4.0
124.11237	38.5
125.06065	1.5
125.09606	5.1
126.01067	3.3
127.03924	2.9
129.06976	1.6
131.08545	6.6
131.32010	1.3
133.06494	2.0
133.10129	5.6
135.04453	2.9
135.08057	36.9
135.09071	2.1
135.11671	7.8
137.05954	2.0
137.09625	4.7
139.03943	6.8
139.07527	1.8
142.12274	1.7
143.08582	2.3
145.06503	10.0
145.10143	5.4
147.04379	3.2
147.08057	4.5
148.05981	2.1
149.02232	1.7
149.05948	6.2
149.09596	5.3
150.12781	6.0
151.07539	12.0
152.10648	1.6
153.09155	7.8
159.08084	2.2
159.11700	9.1
161.09663	5.7
163.03909	5.6
163.07549	29.4
163.11200	4.7
165.09097	2.7
166.08676	7.4
168.13843	10.3
172.08749	2.4
173.05927	4.0
173.09659	2.0
173.13246	6.7
177.01825	2.4
177.12781	5.3
181.08604	19.2
182.99681	3.9
183.11607	1.4
185.13258	1.9
186.10423	2.6
187.11172	8.2
189.09111	2.0
190.15929	1.6
191.03369	2.3
191.07071	7.4
201.00728	1.9
201.12769	5.5
205.01389	2.6
205.08754	1.8
205.12265	10.7
209.08115	28.5
219.13844	5.1
220.13368	2.1
221.20180	2.0
229.12265	6.8
235.39738	1.6
247.02376	3.5
247.13237	10.7
247.16914	2.2
247.21793	5.8
248.13193	1.6
265.03421	3.6
265.07086	6.9
265.09857	3.6
265.14380	69.5
265.17987	3.1
265.22757	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1436
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
53.03912	4.0
55.05502	13.2
65.03941	8.3
65.86977	3.6
67.05499	24.9
69.03433	33.4
69.39751	4.0
70.83808	6.8
70.84140	5.0
71.04984	5.2
74.75426	4.0
79.05511	19.3
81.07047	15.2
83.04972	13.5
91.05483	46.0
91.11845	5.2
93.03410	6.7
93.07057	32.7
95.04979	35.1
95.08624	22.4
97.06509	7.0
105.07030	57.4
107.08608	19.9
109.06504	26.8
109.10159	8.2
111.04430	19.4
111.08064	8.4
113.06060	8.0
115.05446	8.7
117.03373	13.3
117.07014	16.1
119.08580	79.3
121.02842	16.7
121.06499	35.9
121.10134	11.6
123.08073	19.6
124.11240	40.4
128.06218	7.0
129.06985	12.9
130.07774	11.1
130.37808	3.7
131.08562	33.2
133.06487	10.9
133.10118	17.4
135.08051	67.9
137.09605	13.7
137.82436	3.7
139.03905	4.7
139.07527	8.2
141.07021	9.7
142.07790	9.3
143.08556	12.4
144.09380	5.5
145.02863	30.8
145.06502	15.4
145.10135	32.4
147.08057	39.7
147.11635	15.2
149.05975	11.6
149.09689	9.3
151.07661	4.7
153.07028	7.3
155.08566	7.5
156.09360	11.5
157.10127	18.2
158.07278	18.1
158.10878	7.1
159.08041	35.2
159.11714	30.1
160.08817	4.4
161.09619	32.9
165.09140	28.3
168.09325	8.4
168.13805	6.7
169.10144	4.8
171.08015	7.2
171.11673	10.7
172.08823	16.3
173.09679	13.2
173.13255	13.0
175.07571	68.1
175.11223	29.2
177.05450	50.8
181.06523	4.0
183.11690	6.7
185.09422	5.6
186.10390	6.3
187.11148	38.6
189.09143	9.2
189.12750	16.8
193.08641	15.6
199.11226	11.6
201.12709	22.5
203.10699	38.0
205.12245	4.8
211.11156	18.5
211.12984	4.1
217.12245	17.7
219.13696	5.9
229.12190	27.5
235.13359	6.9
247.13286	44.1
265.03439	6.9
265.14584	42.5
265.19696	7.7
265.22745	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
53.12602	1.5
55.01876	2.2
55.05500	5.0
58.06588	6.9
65.03928	4.1
67.05507	10.2
67.05807	1.7
69.03436	11.2
69.07037	2.4
70.06594	2.2
71.04977	3.0
72.08159	9.7
79.05496	11.2
79.14248	1.7
81.03391	2.8
81.07044	8.6
82.06577	1.5
83.04967	2.1
84.08136	2.0
85.02886	2.2
86.48584	1.8
90.41196	1.6
91.05477	18.5
93.03394	2.4
93.07047	16.4
95.04979	15.6
95.08626	8.8
97.02876	2.5
98.09675	2.2
99.04463	2.3
99.41383	1.6
105.07036	24.2
107.04946	2.6
107.08596	9.1
109.02902	9.3
109.06532	9.5
109.10146	4.3
110.09682	3.4
111.04464	11.2
111.08090	2.7
113.06065	3.4
115.05473	2.4
116.10665	2.1
117.03381	4.5
117.07010	5.9
119.04939	2.2
119.08589	30.7
120.08119	6.0
121.02866	5.8
121.06507	16.6
121.10142	6.8
123.04485	2.7
123.08039	10.3
124.11237	40.3
127.03899	1.6
128.06218	3.0
129.07014	7.4
131.04933	2.4
131.08574	13.8
133.06485	4.8
133.10104	5.3
135.04430	3.3
135.08086	24.3
137.02307	2.9
137.09596	5.3
139.03889	4.9
139.07541	1.9
141.06941	3.9
142.07782	3.5
142.12274	3.2
143.08551	3.9
144.09334	3.5
145.02821	5.6
145.06461	4.4
145.10133	11.8
146.07237	3.1
147.04390	3.2
147.08043	15.5
147.11696	5.5
149.05899	2.9
149.09593	4.9
150.12761	2.3
150.40533	1.7
151.07620	1.8
155.08553	3.5
156.09319	2.3
157.06494	2.6
157.10129	8.5
158.07312	7.7
159.08018	11.5
159.11693	15.9
160.08875	1.8
161.05940	2.3
161.09604	13.2
161.13327	2.2
163.03889	7.7
165.01830	2.7
165.09128	9.9
168.09340	3.0
168.13861	6.3
169.10016	2.0
171.08078	1.8
171.11697	3.5
172.08838	5.7
173.09608	7.1
173.13239	6.5
175.07558	21.2
175.11237	11.9
177.01839	11.8
177.05493	9.9
181.06490	1.9
183.11745	3.3
185.09628	2.6
186.10507	2.4
187.11188	13.3
189.09131	3.8
189.12738	5.7
191.03412	13.1
193.01315	10.8
193.08635	5.1
193.10194	2.2
196.08876	3.5
199.11188	3.9
201.02049	1.9
201.12706	13.3
203.10678	15.8
205.01337	16.9
205.12218	2.8
211.11244	5.3
217.12257	9.6
219.02933	11.1
219.13846	2.0
229.12097	8.5
235.13313	2.5
247.02420	13.2
247.13161	13.2
247.21770	2.9
265.03445	57.1
265.07776	2.4
265.10547	5.7
265.15509	14.5
265.20248	3.4
265.22754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.2
58.06596	1.5
58.08701	0.6
58.99855	0.8
60.46064	0.6
61.02920	1.3
67.05525	0.7
69.03439	2.9
70.99847	1.5
71.04978	0.6
73.02901	1.5
81.03413	1.3
82.06560	0.9
82.75976	0.6
82.99838	6.0
85.02885	2.7
96.08125	0.9
97.01382	0.7
97.02886	2.0
97.18152	0.6
98.09702	0.8
98.20731	2.1
98.97591	2.3
101.00886	53.4
103.00657	1.2
103.02435	1.3
108.37250	0.6
110.09674	1.2
113.00870	2.5
115.02417	4.7
116.10732	1.4
116.98628	1.0
117.03959	0.8
119.01927	48.0
119.42342	0.6
121.01633	1.0
124.02472	0.6
124.11235	13.7
125.09677	0.6
127.02437	3.9
129.04004	1.0
131.01918	2.5
133.03461	5.3
137.02954	3.3
138.05501	0.8
139.02394	7.3
142.03462	0.8
142.12326	0.7
143.01912	18.0
145.01631	2.1
145.03458	10.5
150.12784	3.3
155.01883	1.1
157.03473	31.8
158.03592	0.7
161.02974	16.8
163.02745	2.9
163.04535	5.5
168.13881	3.3
169.03407	0.8
171.14651	0.6
173.57489	0.7
175.02942	1.3
175.04518	14.2
181.05608	3.2
183.69301	0.6
184.05914	0.6
187.04526	1.7
205.00189	0.9
205.05573	14.9
212.30092	0.6
221.20116	1.6
223.06641	42.1
241.07698	7.5
246.08238	1.3
247.06671	4.3
247.21684	2.7
264.36774	0.6
265.07715	100.0
265.22760	16.0
266.07846	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.7
55.05493	0.8
56.05021	2.0
57.03440	0.7
58.06582	2.5
61.02921	1.6
69.03431	5.4
69.38079	5.3
70.06564	1.0
70.99850	1.7
72.08136	1.8
73.02898	1.9
77.63928	0.6
79.05504	0.6
81.03413	1.4
82.06570	2.2
82.99834	7.8
84.08138	1.2
85.01379	0.8
85.02897	3.9
95.28702	0.7
96.08121	1.0
97.01385	1.4
97.02908	3.2
98.09695	2.1
98.97555	1.1
99.04479	0.7
101.00883	71.6
103.00623	1.2
103.02431	1.5
110.09672	2.2
113.00869	2.6
115.02445	5.9
116.10716	1.4
117.04007	1.4
119.01925	65.3
120.02034	1.4
121.01630	1.5
122.07114	1.4
124.04944	0.6
124.11232	48.2
125.09621	2.2
127.02425	4.7
127.03895	1.6
129.03992	1.4
131.01904	3.7
133.03473	7.1
133.04362	1.3
136.11206	0.8
137.02959	4.2
138.05443	0.8
139.02422	9.1
140.02568	0.7
142.03436	0.9
143.01906	22.6
144.01961	0.9
145.01634	1.9
145.03456	14.9
150.12805	6.0
153.03966	0.8
154.12144	1.2
155.01855	1.3
156.98021	0.6
157.03474	49.3
158.03671	1.0
161.01665	1.4
161.02960	19.4
163.02710	2.4
163.04504	8.7
164.14383	1.3
167.01752	0.7
168.13850	9.1
169.03510	2.0
171.05112	0.9
173.02953	1.6
174.54468	0.6
175.02908	1.3
175.04498	18.4
176.04767	0.7
178.15887	0.8
181.05530	4.2
183.05069	0.7
183.85417	0.6
184.05945	3.6
184.07256	0.7
185.02898	0.9
186.06332	0.8
187.04549	1.6
205.03705	1.4
205.05597	22.1
221.20107	1.9
223.06642	74.9
223.18040	0.7
224.06883	2.0
241.05460	1.2
241.07693	13.8
246.05310	1.2
246.08218	1.2
247.06801	4.1
247.21672	4.8
248.59720	0.7
256.08005	0.8
264.35434	0.6
265.07700	100.0
265.22748	60.0
266.07883	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	264.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46539	0.3
55.05502	0.8
56.05037	2.2
61.81412	0.3
63.71419	0.4
67.05514	4.2
70.06603	1.4
70.14365	1.5
81.07069	0.8
82.06578	0.4
84.08147	63.3
89.62235	0.4
91.05521	0.3
93.07100	0.4
97.08929	0.8
98.09696	2.4
98.97615	0.5
109.10171	1.4
121.02866	6.1
124.11263	0.5
126.12799	53.0
139.03885	0.9
144.13844	100.0
173.01341	0.4
190.05812	0.7
228.24426	0.4
234.06566	0.4
264.13171	1.5
264.15939	18.7
265.22931	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63182	0.5
55.01871	1.3
56.96545	0.7
64.08972	0.6
69.71034	3.7
75.32376	0.6
78.00301	0.6
91.05455	0.7
98.97604	1.2
102.03721	0.6
105.06979	0.9
115.05453	0.8
117.07003	0.9
119.08599	0.8
120.08091	1.5
130.06474	1.0
131.07310	1.9
132.08096	3.2
133.08875	0.9
144.08107	5.7
145.08868	5.3
146.07259	1.3
146.09660	13.7
147.04404	1.2
147.10481	3.5
148.07593	1.1
148.11224	1.7
153.01814	0.7
156.08075	1.2
157.08864	4.7
158.09630	3.0
159.10419	3.2
160.07579	6.9
160.11232	10.8
161.11958	0.7
162.09164	1.7
169.08833	0.6
170.09662	1.0
172.11211	8.4
173.08383	1.5
173.12062	1.2
174.09161	25.9
174.12796	4.5
184.11212	2.6
186.09044	1.0
187.09935	11.7
188.07076	14.0
188.10719	10.8
192.10165	1.5
200.10725	12.4
202.08707	6.3
202.12282	77.5
216.10211	100.0
217.10686	1.1
218.11819	0.8
220.13383	2.1
228.10234	1.2
246.11272	94.7
247.11665	1.1
264.06671	2.2
264.12311	13.8
264.19730	1.2
265.22916	0.7
267.18973	0.6
288.07767	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	264.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
55.05513	1.5
56.96570	1.3
57.36317	0.9
62.00848	0.9
62.39140	0.9
69.03418	2.1
71.61301	1.0
71.61686	1.3
81.07028	1.0
84.08133	2.6
85.88303	1.0
91.05483	1.0
92.55331	0.9
96.59233	1.0
98.97577	1.5
99.95263	0.9
103.59038	0.9
105.07053	1.2
107.08546	0.9
109.02889	1.8
110.06039	1.0
120.08102	3.5
121.02869	1.2
121.10102	0.9
124.11227	4.0
126.12809	1.6
130.06578	1.2
131.07301	2.3
132.08089	3.4
133.08861	1.0
133.10117	1.1
138.05545	1.1
144.08115	5.2
145.08890	6.4
145.10034	1.4
146.06071	1.3
146.07216	2.1
146.09659	16.0
147.10422	4.4
147.73689	1.0
148.11264	1.2
152.10765	1.9
157.08875	4.3
158.09698	3.3
159.10428	2.0
160.07613	5.3
160.11211	9.8
161.11954	1.4
162.09163	3.1
170.09586	1.1
172.11220	8.1
173.08412	1.1
174.09152	28.2
174.12787	4.0
184.11287	2.0
186.09207	1.5
187.09930	12.4
188.07074	12.6
188.10693	9.3
190.08696	1.1
190.12172	1.7
192.10182	2.5
200.10706	12.4
202.08769	6.6
202.12282	76.3
206.15356	2.1
216.10205	100.0
217.10657	1.0
218.11775	3.1
220.13342	3.3
228.10255	1.1
246.11270	95.0
247.11534	1.3
264.12259	20.2
264.19388	2.2
264.21735	2.7
265.22772	3.8
280.01361	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03938	2.9
54.46945	1.3
55.05293	1.5
55.05511	16.1
56.96551	2.2
57.07084	12.4
67.05507	87.4
69.06774	1.7
69.07071	19.0
71.04980	1.5
71.08609	5.1
71.61264	2.2
79.05122	2.0
79.05502	22.2
80.05027	1.4
81.07059	100.0
83.04952	3.3
83.08623	15.7
85.06520	4.5
85.10181	2.5
91.05482	20.6
93.07051	26.4
95.04939	2.7
95.08610	88.5
97.06520	5.7
97.10178	7.1
99.08073	5.4
104.99271	26.2
105.06387	1.6
105.07038	17.7
107.08615	16.0
109.06522	1.9
109.09440	2.8
109.10162	46.8
111.08066	3.9
113.09600	2.5
117.06996	1.5
119.08584	16.3
121.10165	17.0
122.09643	2.8
123.08014	2.5
123.11707	17.9
124.11272	1.7
126.26489	1.6
127.11188	2.1
131.08571	2.0
133.10156	17.1
135.11699	11.7
137.09593	2.9
137.13269	7.0
141.12720	3.4
145.10135	1.5
147.11696	14.0
149.13260	11.1
151.14850	7.2
155.14198	2.3
157.10138	1.6
161.02979	2.7
161.13287	9.6
163.14799	10.1
165.16463	8.2
175.14806	6.3
179.17876	4.1
187.60527	1.4
189.16396	2.4
191.03995	1.9
200.62411	1.6
207.17514	1.7
217.18959	1.7
245.20374	1.4
245.22658	32.4
258.63333	1.4
263.01740	2.3
263.18094	3.0
263.21115	12.8
263.23694	70.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2119
Annotation	Cernuine
Peak:m/z	Relative Intensity
55.05498	0.9
56.96566	0.6
67.05495	0.6
69.03415	0.8
70.65660	1.0
71.04967	0.6
79.05463	0.4
81.07035	1.2
83.04963	0.5
85.02876	0.9
91.05473	0.6
93.07010	0.7
95.04974	0.5
95.08572	0.6
97.02881	0.5
98.97549	0.4
105.07030	0.7
106.21574	0.3
110.04924	0.5
119.08517	0.5
122.04869	0.4
123.08086	0.4
123.09177	2.4
124.11242	0.9
125.09617	0.4
131.05428	0.4
131.08583	0.6
135.08087	0.6
135.09093	0.4
137.05354	0.4
143.08382	0.3
145.10056	0.4
147.11618	0.3
149.10735	1.0
150.04140	0.3
157.10118	0.5
161.09584	0.6
163.12321	5.3
164.13097	15.6
168.97798	0.3
173.06427	1.2
175.07539	0.4
177.13876	0.5
182.06982	4.5
190.14558	0.4
191.07393	0.4
193.57925	0.3
201.08003	0.4
203.15547	1.6
204.16162	0.5
213.33984	0.3
219.08989	0.3
219.18535	4.2
245.11789	0.7
245.15572	0.3
245.20123	5.1
263.01825	0.6
263.21185	100.0
264.21487	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2007
Annotation	[4aS-(4aalpha,4bbeta,6alpha,8aalpha)]-3,4,4a,4b,5,6,7,8,8a,9-Decahydro-6-hydroxy-4b,8,8-trimethyl-2(1H)-phenanthrenone
Peak:m/z	Relative Intensity
53.63648	1.4
55.05510	4.8
56.10972	1.5
57.07059	2.2
67.05507	25.5
69.07061	5.3
71.04980	2.2
75.46410	1.9
79.05499	8.8
81.07068	14.7
83.04971	1.7
83.08622	3.3
85.02882	2.2
91.05498	8.8
93.07050	24.9
95.04973	2.2
95.08609	100.0
97.06535	1.9
99.08070	2.1
104.99281	20.6
105.07044	8.0
107.08601	25.5
107.95482	1.3
109.06500	1.5
109.10160	13.1
111.08071	3.1
117.07037	2.0
119.08587	14.7
121.10144	17.2
123.08007	1.8
123.11718	5.0
124.11283	1.8
125.09672	2.4
129.06993	3.2
131.08589	5.3
133.10132	20.1
135.08060	2.0
135.11708	14.6
137.09618	4.3
143.08600	3.2
145.10103	5.5
147.11711	8.4
148.60072	1.3
149.13292	3.5
151.11192	3.3
155.10687	2.0
157.10112	5.3
159.11711	2.5
161.02930	3.9
161.13254	6.1
163.11195	3.2
167.10564	2.3
170.28932	1.6
171.11708	8.0
173.13264	5.7
175.11267	2.1
175.14868	9.8
177.12675	1.6
185.13257	4.0
187.14842	9.4
189.12691	2.7
189.16399	1.6
191.14261	1.4
201.16417	2.8
203.14275	2.1
203.17995	5.2
217.15804	2.0
217.19543	7.0
219.18681	2.4
227.17966	26.1
245.19003	37.6
245.22679	3.3
247.15724	1.4
263.08032	1.7
263.20020	46.2
263.23764	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	263.1278
Annotation	Trixol
Peak:m/z	Relative Intensity
53.03928	1.9
53.08555	1.3
55.01862	3.7
55.05494	4.2
56.59597	1.4
56.96543	2.1
65.03926	1.9
67.05508	6.8
69.03432	10.4
69.07064	2.6
70.07320	1.4
71.04983	3.6
75.00192	1.2
79.05486	9.9
81.03391	1.5
81.07060	8.2
83.04972	3.6
85.02921	7.2
91.05489	14.9
93.07024	8.6
95.04962	5.4
95.08598	3.4
97.02882	5.5
97.06530	13.9
98.97592	2.2
99.04466	1.4
103.05414	2.0
104.01010	1.3
105.07032	16.2
107.04948	4.0
107.08587	14.9
109.02857	4.1
109.06518	6.8
109.10158	1.8
110.06049	3.2
111.04449	8.2
111.08074	2.9
113.02370	4.9
115.05441	4.1
116.98637	1.5
117.06996	4.5
119.04932	3.5
119.08594	9.5
121.06485	5.9
123.04409	9.5
123.08044	5.8
125.08342	2.8
127.03848	1.5
128.06198	5.2
129.06992	4.9
130.07803	1.9
131.08533	7.5
132.05692	1.5
133.06459	4.6
133.10104	4.8
135.08060	100.0
137.05975	4.6
139.07494	2.7
141.06924	4.1
142.07822	6.9
143.08551	11.8
144.09412	1.5
145.06506	4.8
145.10091	4.3
147.08015	10.0
147.11713	2.6
149.05952	1.8
149.09608	3.3
151.07509	2.6
153.01814	3.7
153.06932	2.6
155.08682	2.2
156.09364	9.6
157.06464	2.0
157.10170	9.2
158.07220	3.1
159.08076	9.2
159.11708	10.5
160.08820	1.6
161.05980	4.9
161.09674	8.6
163.07506	3.1
164.12959	2.1
165.09070	2.7
165.12706	1.8
166.07770	2.8
171.07994	4.8
171.11691	8.1
172.08827	5.1
173.09590	8.9
175.07500	3.9
175.11189	5.0
176.13110	2.3
181.10138	3.7
184.08809	5.2
185.09610	5.9
187.07578	4.9
187.11185	26.1
188.08430	3.3
189.05478	1.8
189.09142	2.6
189.12695	4.4
197.09586	1.7
199.07628	2.2
199.11172	19.9
201.05528	1.4
203.10686	32.6
205.08580	1.6
209.09598	1.9
212.08224	2.2
215.10713	20.0
217.08632	3.7
217.12257	20.5
227.10657	15.8
231.14917	3.8
233.11702	17.4
245.11734	51.6
245.19962	1.7
246.11307	3.1
263.10172	3.9
263.12830	14.6
263.15472	1.6
263.16925	2.9
263.17969	2.2
263.21179	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22091	10.1
54.15031	10.4
64.38287	11.1
69.70982	13.0
70.32613	44.1
91.02061	10.4
98.21397	16.9
100.37682	10.7
101.00872	52.5
119.01917	42.4
131.01881	22.9
143.01907	77.3
155.01875	20.8
161.02975	100.0
173.02953	26.4
197.74736	11.1
203.03984	24.7
207.67755	13.7
223.27803	10.7
263.01642	34.6
263.05115	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	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
60.82619	5.6
61.04346	5.2
70.30338	18.7
70.30679	7.9
93.89321	5.6
98.21429	6.7
101.00873	38.1
113.00890	11.9
118.08648	7.4
119.01923	39.9
124.11208	12.6
131.01912	24.5
143.01918	77.0
145.03484	10.9
155.01883	19.0
161.02966	100.0
161.04271	7.5
173.02983	33.7
185.03052	7.4
191.03944	14.9
203.04033	18.7
263.01746	43.8
263.05063	55.1
263.14114	15.4
263.21167	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	262.1803
Annotation	5-Methylbenzene-1,3-diol
Peak:m/z	Relative Intensity
55.05508	2.0
55.82230	0.4
56.05036	4.3
56.96565	0.9
57.07083	1.8
58.02771	0.4
58.06587	0.4
58.96347	0.4
65.03941	0.4
67.05507	5.9
69.07058	0.4
69.65794	1.5
69.66199	0.8
70.06589	5.7
71.08623	0.8
72.08156	0.5
81.07063	1.7
83.08645	0.5
84.08146	100.0
85.08484	0.4
87.04465	0.7
88.07639	2.8
91.05482	9.1
93.07026	0.5
97.08901	1.3
98.09695	4.0
98.97583	1.3
103.96502	0.4
105.06991	0.4
106.08657	0.6
108.64716	0.4
109.10150	2.2
114.09163	1.4
116.98621	0.4
118.08707	0.6
124.11167	0.5
126.12795	78.2
127.13144	0.6
132.10201	4.9
135.08090	0.3
135.11768	0.4
139.81511	0.4
144.13850	3.9
150.10196	0.4
150.11292	4.3
153.01819	1.0
176.14317	0.8
213.31055	0.4
216.10175	1.2
218.21155	1.3
244.09790	0.7
245.11769	0.7
262.18036	49.9
262.23782	21.9
263.18408	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	3.4
56.05025	1.7
56.96562	0.8
58.99319	0.7
58.99588	8.9
65.68266	0.5
67.05489	1.5
68.05038	1.0
69.03439	1.1
69.07045	0.7
70.06577	2.1
70.60420	1.4
70.60759	0.5
72.08160	14.1
77.05889	0.5
79.05460	1.5
80.05008	0.5
81.03419	0.8
81.05800	0.9
81.07079	1.1
82.06583	1.6
84.08155	0.9
86.99056	13.5
91.05490	0.7
94.06575	2.4
95.07356	0.6
95.08620	1.1
96.08145	2.8
97.08918	4.2
98.06056	1.0
98.09710	2.3
98.97560	1.1
105.00098	16.0
105.06986	0.5
108.08121	1.1
109.02843	0.7
110.09677	1.4
112.07607	1.3
114.09174	3.3
115.04527	0.5
122.09672	7.8
123.10445	4.1
124.11241	6.4
125.12004	0.8
130.06573	0.7
132.08128	1.1
140.10710	100.0
141.11076	0.9
144.08038	0.5
146.05981	1.4
147.08066	1.7
147.48897	0.5
153.01833	1.5
154.06793	1.0
155.07643	8.6
156.08424	1.7
157.09215	1.5
170.06088	0.7
171.06506	0.6
174.09230	0.8
181.06302	0.8
188.07068	1.7
190.06708	1.2
203.06079	1.0
216.06773	0.9
216.10413	0.8
238.98784	0.5
244.10011	6.1
262.11108	36.2
262.14383	5.9
262.20126	0.7
263.21265	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03946	0.8
55.05513	7.0
56.96553	1.6
57.03435	0.6
57.07066	2.3
57.63820	0.5
65.03936	1.2
65.41653	0.5
67.05501	11.3
68.11420	0.7
69.07068	7.7
71.04988	1.1
71.20355	1.1
79.05495	11.7
81.07057	14.3
81.79616	0.6
83.04954	0.6
83.08624	8.1
85.06544	1.2
91.05481	10.1
93.06455	1.0
93.07045	21.4
95.04965	1.1
95.08609	17.1
97.06517	1.2
97.10147	1.3
98.97556	1.0
99.08059	1.2
105.06368	1.0
105.07033	13.1
107.08597	34.6
109.06532	1.3
109.10161	16.5
111.08058	1.0
115.05488	0.7
117.06985	3.4
119.08587	20.5
119.76957	0.6
121.10144	26.9
121.11022	1.4
123.08072	0.6
123.11729	3.8
124.11166	0.8
125.09621	0.6
131.08571	8.4
133.09213	0.9
133.10132	10.6
135.08099	1.1
135.11693	20.1
137.13254	1.0
137.19624	0.6
138.09102	0.7
139.11160	0.7
143.08598	1.2
144.09354	0.7
145.10129	17.7
145.11266	0.9
147.11690	9.1
149.02347	2.0
149.13266	5.7
153.12790	0.6
157.10112	0.7
158.10852	0.7
159.04306	0.6
159.10411	1.1
159.11693	16.9
161.09639	0.6
161.13281	5.4
163.14857	4.4
165.12848	0.7
171.11649	0.9
172.12421	1.3
173.13271	17.7
175.14838	2.7
177.16420	1.3
179.14262	1.5
185.13176	1.2
186.14125	0.9
187.14822	8.7
189.16377	1.9
191.10645	0.8
191.14235	1.1
192.37498	0.6
193.12314	0.8
200.15575	1.2
201.16377	2.9
203.17949	4.3
204.13829	1.1
205.14157	1.2
213.16460	0.9
215.17955	100.0
216.18240	1.4
217.19447	1.7
228.18690	0.8
233.18965	0.6
243.21088	32.0
244.80305	0.6
261.03809	1.1
261.12888	1.8
261.18576	31.1
261.22156	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.0
55.01871	0.8
55.05515	13.6
56.96567	1.2
57.03424	0.9
57.07064	3.2
59.04993	0.8
65.03927	2.1
67.05508	32.9
69.07069	12.5
69.94539	2.8
69.94949	1.7
71.04974	2.2
71.08589	0.8
77.03928	1.0
79.05495	48.1
81.07062	42.9
81.19999	0.8
83.08621	12.1
85.06533	3.4
91.05484	26.6
93.07048	64.5
95.04985	4.4
95.08610	33.8
95.09227	1.3
97.06521	3.5
97.10159	2.8
98.97578	1.2
99.08073	2.6
99.84489	0.8
102.53242	1.1
103.70129	0.8
105.04497	0.9
105.06375	1.3
105.07040	22.3
107.08601	56.8
109.06534	2.1
109.09449	1.3
109.10168	23.5
110.10471	0.9
111.08057	3.4
113.09636	1.3
117.07043	7.3
119.08582	22.9
121.06480	0.8
121.10145	49.3
123.08070	2.1
123.11710	5.7
125.09583	2.3
131.08580	13.2
133.10138	13.9
135.11700	37.3
136.12044	1.0
137.09579	2.0
144.09311	1.6
145.10121	17.3
147.11684	13.9
149.02350	2.1
149.13266	20.4
156.22609	0.8
159.11716	15.2
161.13251	11.6
163.14828	16.0
165.12779	1.6
171.11665	1.0
173.13260	18.7
175.14835	5.0
177.16339	5.1
179.14200	1.7
187.14838	10.3
189.16380	1.6
201.16388	2.7
203.17970	1.1
215.17952	28.5
216.74940	0.9
217.19528	1.2
219.17375	1.3
243.21094	50.4
261.03851	1.3
261.19122	7.3
261.22137	100.0
262.22498	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	261.2215
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03948	3.6
55.01871	1.1
55.05514	13.6
57.03435	1.7
57.07076	3.4
65.03945	1.7
67.05508	43.0
69.07070	13.0
69.90472	2.1
69.90860	1.0
71.04995	2.6
71.08628	1.2
77.03931	1.2
79.05495	56.5
81.07060	48.6
83.04983	0.9
83.08622	8.1
84.94383	0.5
85.06542	3.1
91.05486	32.3
93.07050	79.7
95.04973	4.9
95.08610	39.9
97.06537	3.5
97.10168	2.4
99.08099	4.0
100.22535	0.5
105.04549	0.8
105.07035	18.6
107.08598	50.8
109.06528	1.8
109.10160	16.0
111.08075	2.6
111.11738	0.5
113.09634	1.4
114.56472	0.5
117.07030	6.4
119.08585	16.9
120.03695	0.6
121.10149	44.6
123.08059	1.0
123.11693	4.1
125.09660	1.5
131.08571	15.1
133.10130	15.0
135.08151	0.6
135.11699	36.5
137.09618	2.1
137.13260	1.1
139.11188	0.6
143.08557	0.6
145.10129	15.2
147.10837	0.4
147.11699	12.6
149.13258	29.6
151.11160	1.2
151.14783	0.7
153.12752	0.7
159.11700	12.5
161.13271	14.8
163.11145	0.6
163.14825	20.8
165.12785	1.3
173.13263	10.4
175.14815	4.7
177.16394	5.2
179.14313	2.0
187.14821	7.5
189.16478	0.9
191.14346	0.6
201.16391	3.4
215.17964	9.3
217.19498	0.8
219.17403	0.6
233.22696	1.7
233.90692	0.5
243.21100	32.4
261.22147	100.0
262.22452	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	261.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01865	0.9
55.05511	14.0
57.03426	1.4
57.07072	4.3
58.83285	0.8
59.37132	0.7
65.03937	2.5
67.05505	42.1
69.06720	0.8
69.07066	11.5
70.72383	1.9
70.82580	0.7
71.04980	1.8
71.08627	1.6
71.98775	0.7
77.03901	1.2
79.05494	56.7
81.03375	0.8
81.07058	52.1
83.04979	1.6
83.08609	8.0
85.06540	2.9
85.10168	1.3
91.05482	31.6
92.30143	0.8
93.07047	76.7
95.04947	3.5
95.08607	37.5
97.06541	4.7
97.10139	2.9
99.08078	3.0
105.04473	0.9
105.06367	1.6
105.07031	20.0
107.04984	0.9
107.08595	48.7
109.06503	1.6
109.10155	15.8
111.08073	3.2
113.09666	1.3
117.07029	7.6
119.08584	16.3
121.10146	44.5
123.08076	1.7
123.11747	5.0
125.09624	2.0
131.08563	17.3
133.10130	12.8
135.10661	1.6
135.11694	33.8
137.09627	1.3
137.13304	1.8
139.11140	0.8
142.62279	0.9
145.10130	18.5
147.11699	11.9
149.09572	0.9
149.13263	29.9
151.11125	1.0
151.14758	0.9
153.12709	1.2
155.08488	0.8
159.11703	10.9
161.13260	13.9
163.11130	0.9
163.14832	22.3
165.12781	1.5
173.13261	12.1
175.14781	4.5
177.12540	0.8
177.16391	5.7
179.14336	1.8
187.03775	0.9
187.14847	8.4
201.16356	3.5
205.15826	1.0
215.18021	8.0
219.17384	1.4
233.22650	0.9
243.21098	35.3
261.22141	100.0
262.22391	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03945	2.4
55.01859	0.6
55.05257	0.8
55.05514	13.0
57.03437	1.6
57.07082	4.4
62.35238	0.5
65.03936	2.2
67.05505	43.5
69.07069	12.8
71.04997	2.6
71.08624	1.4
77.03951	1.0
79.05492	55.9
80.52622	0.4
81.03392	0.5
81.07056	51.1
83.04973	1.4
83.08624	7.6
85.06541	3.5
86.49390	0.4
91.05480	27.3
93.07046	76.9
95.04964	3.9
95.08608	33.9
97.06531	4.0
97.10160	2.7
99.08102	4.7
103.05510	0.4
105.04533	1.2
105.07031	18.9
107.08595	47.0
109.06503	2.3
109.10160	15.4
110.24212	0.4
111.08076	2.5
111.11700	1.3
113.09653	1.3
117.07010	6.8
119.06064	0.8
119.08577	16.1
121.06527	0.5
121.10142	43.4
123.08064	1.8
123.11706	4.3
125.09632	1.3
130.07822	0.6
131.08565	14.8
133.10129	12.0
135.08110	0.6
135.11697	35.9
137.09618	1.9
137.13268	1.4
139.11143	0.8
145.10120	14.7
147.11696	12.0
149.09546	0.8
149.13257	28.6
151.11185	1.1
151.14818	0.9
153.12798	0.8
157.10112	0.7
159.11690	11.9
161.13260	11.8
163.11198	0.7
163.14818	20.8
165.12770	1.2
173.11911	0.9
173.13274	10.6
175.14816	4.0
177.12666	0.6
177.16367	5.4
179.14322	1.8
187.14828	6.9
189.16359	1.0
193.15858	0.6
201.16403	3.4
203.18137	0.5
205.15851	1.2
215.17940	3.7
217.19418	0.8
219.17554	0.6
233.22705	1.0
243.21083	32.1
254.84277	0.5
261.22137	100.0
262.22406	1.6
280.28491	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
52.16011	0.4
55.05571	2.0
56.96615	1.0
62.80322	0.4
67.05577	2.4
69.07143	1.8
72.04577	1.2
79.05490	2.2
81.07050	3.3
81.44816	0.4
83.08699	1.4
91.05491	2.9
93.07058	5.3
95.08616	5.4
97.10192	0.5
98.21553	0.6
98.97631	0.6
105.07035	4.8
107.08600	8.1
109.10175	3.9
111.08118	0.5
117.07099	1.6
119.06740	0.6
119.07757	0.6
119.08582	12.4
121.10157	4.4
123.11761	0.8
128.10765	0.5
129.07074	0.5
131.08568	4.9
133.10146	4.4
135.11768	1.6
144.09473	0.5
145.10130	15.0
147.11761	1.9
149.02437	1.9
151.11130	0.4
153.09114	1.0
157.10126	0.6
159.11714	11.2
161.13315	1.2
171.11621	0.8
173.13271	5.7
177.09177	0.9
179.10808	0.6
185.13332	0.6
186.14067	0.6
187.14854	0.8
200.15623	0.5
208.07652	0.5
209.15417	0.5
215.17969	100.0
216.18382	1.4
217.19510	1.1
220.81447	0.5
229.05109	0.6
243.17506	0.9
243.20914	0.5
261.03864	0.7
261.12897	1.3
261.18478	34.5
262.18881	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
51.01579	0.8
55.05512	3.4
57.07064	1.3
59.62288	0.8
67.05513	4.4
69.07068	5.6
70.94647	0.8
71.62277	0.9
72.04482	0.8
79.05499	6.1
81.07052	7.5
83.08627	2.5
91.05479	5.5
93.07053	11.1
95.08620	9.2
105.07043	11.0
107.08593	14.4
109.06519	0.8
109.10168	4.1
111.08112	1.1
111.16333	0.8
117.07032	3.2
119.08591	15.8
121.10156	7.7
123.11689	1.9
124.11208	1.5
129.94276	1.0
131.08571	6.8
133.10115	4.9
135.11703	3.8
138.09216	1.0
141.07027	1.0
143.08627	1.0
144.09311	1.2
145.10124	17.1
146.10887	0.9
147.11687	7.1
149.02341	1.6
149.13281	1.4
158.10912	0.9
159.11694	19.3
161.13252	2.8
163.07573	1.3
163.14915	1.0
173.13255	7.2
175.14894	0.9
179.10701	1.0
183.28471	0.9
187.14816	3.0
191.10701	1.6
193.12292	1.9
201.13918	0.9
215.17960	100.0
217.19453	1.7
243.17549	1.1
243.21161	3.3
261.13046	2.7
261.18759	21.1
261.22217	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	261.1851
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
55.05581	1.5
56.96626	1.2
57.07117	0.4
58.04057	0.3
65.03993	0.6
67.05582	3.1
69.07142	2.3
69.36594	3.1
71.05033	0.3
79.05502	3.3
81.07059	3.9
83.08707	1.0
91.05569	2.6
93.07052	5.7
95.05052	0.4
95.08614	5.3
105.07027	5.5
107.08599	9.0
109.10167	3.6
111.08127	0.4
115.12387	0.3
117.07008	2.0
118.08964	0.3
119.08580	12.7
121.10149	5.0
123.11715	0.5
129.07112	0.4
131.08572	5.1
133.10152	4.3
133.11055	0.4
135.11678	2.0
138.09251	0.5
143.08665	0.4
144.09375	0.5
145.10124	14.4
147.11691	3.4
149.02385	0.8
149.13272	0.8
153.09169	0.4
159.11696	10.4
161.13295	2.1
163.14867	0.5
169.03508	0.5
171.11705	0.4
172.12575	0.5
173.13275	7.0
175.14793	0.5
177.09135	0.8
179.10718	0.6
185.13213	0.5
186.14029	0.9
187.14842	1.7
200.15717	0.6
203.18021	1.7
215.17960	100.0
216.18251	1.2
217.19427	0.5
233.19060	0.4
241.61275	0.4
243.17453	0.5
243.21007	2.0
258.47913	0.3
261.03839	0.5
261.18469	32.5
261.22043	2.9
262.18799	0.4
267.16617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.185
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
52.50108	0.4
53.03944	1.2
53.30537	0.4
55.05253	0.5
55.05508	5.2
56.96565	0.6
57.07064	1.0
65.03944	1.0
67.05170	0.7
67.05505	9.4
69.06778	0.6
69.07074	6.5
71.04979	0.7
71.61831	0.7
79.05495	10.8
81.07058	11.8
83.08617	3.8
91.05471	7.8
92.73488	0.4
93.07048	17.7
95.04949	1.0
95.08612	15.0
97.06504	0.5
97.10162	1.1
97.92977	0.4
99.08085	1.1
105.06369	0.6
105.07027	8.9
107.08594	21.6
109.06498	0.9
109.10154	9.8
111.08048	1.2
117.07050	3.4
119.08582	18.2
121.10142	18.2
123.08069	0.7
123.11729	2.3
124.11215	0.5
125.09605	0.5
125.62319	0.4
129.07092	0.5
130.07796	0.6
130.99376	0.4
131.08571	8.9
132.73880	0.5
133.10144	8.1
135.08089	1.2
135.11687	9.9
137.09621	0.6
137.39514	0.4
139.11163	0.5
143.08540	0.6
144.09282	0.5
145.10123	18.1
147.11700	6.9
149.02344	1.2
149.09680	0.5
149.13275	4.8
151.11145	0.5
153.09035	0.7
157.10164	0.6
159.10402	1.0
159.11693	13.6
161.13274	4.7
163.11166	0.5
163.14815	2.9
165.12810	0.6
171.11710	0.8
172.12378	0.6
173.13263	9.7
175.14868	1.6
177.09131	1.3
177.16412	0.9
179.14262	2.4
185.13345	0.8
186.14044	0.6
187.14854	5.3
189.16405	0.5
191.10472	0.6
191.14320	0.7
193.12128	0.6
200.15596	0.8
201.16342	2.5
203.17964	3.4
205.15884	1.0
215.17955	100.0
216.18248	1.0
217.19539	1.1
233.18867	0.8
243.21092	13.0
259.65500	0.4
261.12921	1.3
261.18549	31.4
261.22134	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	261.1849
Annotation	Hamabiwalactone A
Peak:m/z	Relative Intensity
54.32278	0.3
55.05521	1.4
63.69412	0.3
65.03939	0.4
66.95786	0.3
67.05509	2.4
69.07060	2.0
71.61771	0.5
79.05483	2.5
81.07066	3.2
83.08607	0.9
91.05479	2.3
93.07048	3.9
95.08605	4.8
98.97645	0.4
105.07040	3.3
107.08590	7.8
109.10165	3.0
117.07016	2.1
119.08578	11.7
121.10156	4.7
123.11763	0.5
128.06270	0.5
130.07788	0.6
131.08577	4.2
133.10129	3.6
135.11699	1.3
140.75774	0.4
143.08530	0.7
144.09366	0.6
145.10127	13.7
147.11679	2.3
149.02336	0.6
153.09097	0.8
157.10121	0.5
159.11696	9.5
161.13260	0.7
171.04321	0.4
171.11665	0.5
172.12462	0.9
173.13298	4.8
177.09129	1.2
179.10690	0.7
181.55391	0.3
185.13283	0.4
186.14049	0.8
187.14783	0.8
193.12263	0.6
200.81512	0.3
215.03548	0.4
215.17957	100.0
216.18283	1.5
217.19542	0.9
233.19005	0.9
243.02950	0.4
243.17421	0.5
261.03830	0.8
261.18503	34.1
262.18796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1851
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	1.8
56.96557	2.3
57.07094	0.7
65.03960	0.6
67.05503	3.7
69.07071	2.5
70.19247	1.9
79.05489	3.3
79.81776	0.5
81.07066	4.2
83.08658	1.6
83.54243	0.5
91.05466	2.8
93.07053	5.2
94.81981	0.5
95.04968	0.5
95.08614	4.9
98.21465	0.6
98.97611	1.3
105.02409	0.5
105.07027	4.7
107.08603	8.3
109.06503	0.4
109.10155	3.1
115.05491	0.5
116.98642	0.6
117.07056	2.0
119.08583	12.1
121.10143	4.9
123.08150	0.5
129.07037	0.5
130.07764	0.4
130.40627	0.4
131.08577	5.3
133.10121	3.6
135.11725	1.5
143.08585	0.5
145.10129	13.5
147.11682	2.5
149.02345	1.3
149.09558	0.6
153.09084	0.7
157.10181	0.6
159.11700	11.4
160.12469	0.5
161.09654	1.0
161.13235	0.9
163.14861	0.5
171.11652	0.9
173.13260	5.7
177.09131	1.5
179.10704	1.7
185.13321	0.7
186.14046	1.1
187.14825	1.5
191.10648	0.8
193.12198	0.9
200.15619	0.5
201.16414	2.6
215.17957	100.0
216.18275	1.6
217.19566	0.9
233.18970	1.3
261.03918	0.8
261.12927	1.3
261.18494	30.8
261.21857	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99571	0.2
51.77889	0.2
56.96553	0.8
62.65118	0.2
64.98190	0.2
70.42156	0.5
70.42522	0.6
82.99848	0.7
94.39127	0.2
97.39689	0.2
98.97590	7.0
101.00243	0.4
101.00888	5.2
102.00964	0.3
110.49822	0.3
116.98631	2.5
119.01126	0.4
119.01931	6.8
120.02040	0.4
120.97874	0.3
134.99794	0.6
137.02991	0.6
140.98802	0.8
158.99887	2.8
161.02881	0.3
165.99728	0.3
167.56668	0.3
175.03059	0.4
177.00960	14.4
178.01083	0.5
182.99847	0.8
193.87633	0.2
201.00951	3.5
209.99089	0.2
217.04118	2.3
219.02013	19.7
220.02058	0.5
221.02005	0.4
225.00838	1.8
236.98674	0.2
237.98763	2.5
238.98454	0.7
243.02014	12.7
243.49179	0.3
244.02155	0.4
261.03067	100.0
262.03220	3.3
263.03476	0.5
275.04459	0.3
279.00644	2.3
284.04608	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
51.95100	2.4
52.60691	2.1
53.03944	3.6
55.05510	12.4
57.07059	4.6
67.05484	8.3
69.06763	2.6
69.07067	29.4
71.04995	20.0
79.05495	5.6
80.91534	2.7
81.07059	21.3
81.07507	3.5
83.04973	4.2
83.08608	7.8
85.06555	15.6
91.05459	9.5
93.07054	11.2
95.04968	3.7
95.08607	19.4
97.06538	5.7
97.10151	2.4
98.21541	7.8
105.03396	7.3
105.07029	22.2
107.08601	19.7
107.53481	2.6
109.06508	8.2
109.10188	13.7
111.08076	10.4
117.07014	9.6
119.08592	49.5
121.10150	16.6
123.08125	2.8
123.11710	20.9
125.09631	2.6
125.85190	2.1
129.01840	4.6
129.06981	2.9
130.07838	3.6
131.08582	16.2
133.10136	32.1
135.08076	11.3
135.11664	7.4
137.09662	4.7
143.08528	9.0
144.09358	3.0
145.10118	34.2
147.08011	3.8
147.11693	14.8
149.09589	3.8
156.09369	3.4
157.10124	14.1
159.11717	31.0
160.12485	3.9
161.13289	31.0
171.10443	2.5
171.11658	15.2
173.09738	2.3
173.13190	11.6
175.11163	3.5
175.14827	78.2
176.15572	3.2
177.12793	5.0
177.16306	3.0
181.06436	3.2
185.13266	14.5
189.12749	7.0
189.16386	7.0
199.14923	3.3
201.16403	24.8
203.14323	6.3
215.17934	3.6
217.13336	9.8
217.19371	4.7
241.19472	18.1
244.12674	3.0
259.11310	3.0
259.14844	6.9
259.17990	5.2
259.20578	100.0
259.23386	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	259.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
56.05040	0.7
56.96560	2.1
57.03423	2.7
60.08166	1.3
60.27418	0.7
61.02925	1.4
63.78796	0.7
68.92310	0.6
69.03424	3.8
69.75977	2.4
69.76392	1.5
70.06585	1.2
71.04964	1.0
72.08159	0.9
73.02920	1.5
74.00672	0.8
74.02436	1.7
81.03414	1.3
82.06582	0.7
83.04970	2.2
83.06108	0.9
84.04496	2.5
84.08138	1.2
85.02901	6.1
85.06500	0.9
86.29929	0.7
87.04471	0.9
87.10046	0.9
89.00797	1.0
97.02888	5.3
98.20736	1.2
98.97589	6.9
99.04449	1.3
100.02205	11.6
101.00836	1.2
103.02436	0.8
104.10724	2.6
105.11067	2.1
109.02858	1.7
111.05569	10.7
112.99152	1.3
114.05519	2.0
116.98600	1.6
119.01891	2.7
120.02599	1.7
127.03910	2.7
127.04972	0.6
129.03087	1.5
129.04878	0.6
130.04982	0.9
131.00140	1.2
133.03391	1.0
141.03011	1.1
145.03458	1.2
145.04973	0.8
146.02713	14.3
147.03015	1.2
148.03775	0.8
149.01204	0.9
153.01775	1.1
157.03384	1.3
157.04608	0.7
157.06062	3.3
167.08151	3.9
168.03500	0.9
169.04419	2.2
177.04144	1.2
178.04863	9.2
179.02298	1.1
179.05725	1.3
185.02861	1.3
192.04688	1.9
198.10634	0.7
212.87685	0.6
213.06888	2.8
213.08768	2.8
213.12340	2.5
213.14177	0.8
216.11543	1.1
219.72182	0.7
221.03249	0.8
223.06540	2.0
227.04257	0.7
231.02878	1.6
239.04346	3.3
241.07050	1.0
250.07094	0.9
259.02350	4.3
259.07852	100.0
259.12488	12.0
260.08374	1.1
265.07574	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	259.0794
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81787	0.7
55.01849	0.8
56.05020	1.1
56.96568	0.9
57.03423	2.2
60.08161	0.7
61.02911	1.0
67.05486	0.8
69.03442	3.5
69.36343	4.6
69.36770	1.9
70.06561	2.2
71.04968	1.1
73.02905	1.3
81.03420	1.2
83.06085	0.9
84.04488	2.2
85.02910	4.6
85.06540	1.3
86.06052	1.3
97.02917	5.4
98.97558	3.0
99.04450	1.0
100.02201	9.4
101.00840	1.2
104.10722	2.1
105.11072	1.6
109.02876	1.1
111.05583	10.4
112.99095	1.3
114.04800	0.7
114.05513	4.3
116.98645	1.0
119.01871	1.6
127.03858	2.1
128.07024	1.3
131.00101	0.8
131.01852	1.7
139.03893	0.9
140.53047	0.8
141.03058	0.8
145.03452	1.3
146.01816	0.7
146.02731	10.9
148.03766	1.0
153.01878	1.0
157.03294	0.7
157.06053	3.1
167.08162	3.8
175.04298	0.8
178.04840	6.0
192.04666	1.9
201.09277	1.1
205.05507	0.8
213.06866	1.7
213.08673	4.5
213.12283	2.7
215.10303	0.8
216.11650	1.0
223.06551	2.1
231.02841	1.3
239.04356	2.4
250.07109	0.8
259.02328	3.7
259.07843	100.0
259.12463	14.0
265.07712	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0746
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	1.1
53.03956	1.2
55.01868	1.0
55.05519	1.0
56.05013	1.0
56.45766	0.7
56.96568	15.5
57.03425	2.4
60.08148	1.0
61.02899	3.0
63.05679	0.9
64.74328	0.7
66.41267	0.8
67.04229	2.9
67.05525	0.8
69.03437	8.9
70.03741	0.9
70.06583	2.1
70.98119	2.2
71.04980	1.0
73.02911	2.6
74.00664	6.6
79.01850	3.9
81.03417	2.4
83.04980	1.9
84.04509	2.9
84.08149	4.4
85.01404	4.3
85.02897	8.8
85.08478	1.4
87.04486	1.5
89.00789	1.4
92.29279	0.7
97.02348	1.0
97.02900	8.4
98.97581	9.7
99.04451	2.1
100.02206	100.0
100.99144	1.9
101.00881	3.1
103.02449	12.1
106.91015	0.8
109.02884	2.2
110.97577	2.9
111.02020	1.3
111.05570	2.0
112.99088	1.2
113.00875	2.2
114.05533	1.0
115.02458	1.2
116.98605	2.5
117.03999	3.8
118.03236	3.4
119.01902	4.8
120.02629	1.3
121.01558	1.4
121.03484	3.8
124.99135	1.0
125.02409	1.3
127.02357	1.5
127.03901	2.2
128.02357	1.7
128.98625	2.7
129.00334	2.7
129.03101	4.5
129.03972	5.6
129.10236	2.3
130.06490	1.7
130.08653	1.0
130.10582	2.3
131.00227	1.9
131.01878	5.5
133.01668	1.0
133.03508	2.2
135.05066	1.9
143.00180	2.3
143.01872	1.2
143.03479	1.6
144.98033	4.2
144.99883	1.2
145.03482	5.4
146.02713	98.9
146.99591	1.2
147.01392	10.7
147.03185	1.8
147.05038	20.7
149.02946	1.0
151.04977	0.9
153.01834	26.8
153.02942	1.9
154.02168	3.9
155.05559	1.8
157.03482	2.0
158.99609	2.3
159.05020	2.3
161.01160	1.5
161.02988	2.4
161.06667	1.5
162.99161	3.7
163.04465	1.6
165.02531	1.3
165.06056	1.4
168.05414	3.4
169.04341	1.0
171.05119	5.0
173.02956	2.9
173.06602	11.0
175.02579	1.5
175.04515	1.6
175.52795	0.9
177.00604	0.9
177.05972	3.4
178.04901	3.4
178.06665	1.5
183.05067	6.9
184.55966	1.3
185.03928	3.7
185.05504	1.1
187.04593	1.7
189.02483	3.0
189.06111	9.5
191.07748	2.1
192.04642	1.8
196.04218	1.7
197.06569	1.1
199.00911	2.4
199.04469	4.7
201.06213	4.6
205.00249	5.7
207.03555	4.6
213.06952	20.7
215.03841	1.0
215.07623	1.2
217.01961	2.6
217.05605	12.6
223.01259	5.9
223.06619	1.4
227.04004	1.7
231.02950	1.9
235.06644	2.7
239.04416	3.6
240.04594	0.8
245.05164	2.1
248.93623	1.0
259.02588	3.5
259.07471	30.0
281.05283	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.9
55.05520	0.6
56.96565	4.0
57.03434	1.1
58.99575	0.5
61.02931	0.7
63.44179	0.5
67.04247	2.3
67.05511	0.5
69.03442	3.2
70.06598	1.2
70.91773	1.0
70.92123	0.9
70.98132	0.8
71.66769	0.6
71.92945	0.5
73.01127	0.9
73.02917	0.6
74.00659	7.7
81.03424	1.0
84.08133	1.3
85.02917	4.2
85.34299	0.5
95.04974	0.9
97.02899	2.6
98.97586	3.6
100.02207	100.0
100.99147	0.7
101.02546	0.5
109.02828	0.7
110.97498	0.8
111.04399	0.6
111.05536	0.6
112.99120	0.6
114.05523	1.2
116.98617	0.9
118.03270	5.1
119.01879	0.6
120.02599	0.6
121.64917	0.5
127.03914	1.2
128.98543	0.8
129.03081	0.8
129.10214	0.7
129.11163	0.6
130.06535	0.8
131.01929	0.6
134.99635	0.6
135.69226	0.5
137.19937	0.6
143.00139	0.6
144.98117	1.2
146.02710	99.0
147.01416	0.7
147.03145	0.6
147.05002	0.8
153.01892	1.0
157.07593	1.2
158.99605	0.6
161.54269	0.5
162.99220	0.8
178.04979	1.3
196.04291	0.7
201.05200	0.6
205.00247	1.4
213.06947	25.2
217.05638	0.7
222.63138	0.6
223.01303	1.8
231.02823	0.8
239.04370	1.2
259.02722	1.0
259.07510	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	257.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02396	0.5
53.03959	0.5
55.01899	1.3
55.05513	0.6
56.96582	0.6
57.03440	5.9
57.03688	0.4
61.02948	0.4
67.05536	0.5
69.03441	3.2
71.60956	0.5
72.08147	0.4
75.04477	2.8
79.05497	3.7
81.03417	2.3
81.07069	0.9
83.05017	0.4
84.08167	0.4
85.02908	3.6
85.06553	0.4
86.09740	0.6
91.05496	1.6
93.03439	0.5
93.07056	0.7
94.04206	1.2
95.01334	5.5
95.04976	1.0
95.08635	0.5
97.02914	0.4
97.06580	0.3
98.97581	0.6
101.06030	0.7
103.05464	3.1
105.07035	32.3
107.04951	2.7
109.02902	1.0
109.06526	1.4
113.02367	5.3
115.05426	0.8
116.98665	0.4
117.06998	0.9
119.08575	0.6
121.06464	0.9
122.03656	4.0
124.05234	1.2
125.09655	0.6
127.03912	1.3
129.07080	0.3
131.04944	0.4
133.06496	48.4
134.06863	0.6
135.04375	0.9
135.08046	0.8
137.05980	100.0
138.06303	0.5
147.08034	0.7
149.05905	0.4
149.09653	0.6
150.06747	0.7
151.07516	0.7
153.01787	1.4
161.09631	0.5
163.07541	3.8
165.09120	23.3
171.11380	0.3
175.07545	3.7
175.11165	0.7
177.09142	0.8
179.10617	0.4
180.07784	0.6
181.08589	1.9
183.10176	4.4
187.39531	0.4
193.08572	0.5
195.06126	0.4
197.11612	0.4
203.10698	2.3
209.11754	0.7
221.11746	2.3
228.86375	0.3
239.12732	0.9
257.13318	1.4
257.16345	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84038	1.3
53.03947	3.4
54.22254	1.1
55.01881	1.3
55.05510	1.2
56.96560	1.3
57.03442	21.4
61.02915	1.3
65.03935	2.1
67.05518	3.1
69.03429	9.3
69.59098	4.7
69.59537	4.6
70.06614	1.6
71.04997	2.0
71.60191	1.2
75.04482	9.7
75.74551	1.2
79.05495	24.7
81.03422	5.6
81.07053	4.5
84.08140	1.8
85.02903	5.4
91.05477	3.0
93.03349	1.3
93.07044	3.0
95.01330	13.5
95.04950	6.2
97.02910	1.9
97.06531	1.4
98.20770	2.2
98.97595	1.5
99.04460	1.2
105.04558	1.4
105.07038	3.0
107.04956	42.9
107.08593	2.0
108.02129	1.7
109.02878	9.3
109.06526	3.7
111.08096	3.1
111.87683	1.3
113.02361	9.6
119.08556	3.6
121.06492	4.0
123.04446	2.3
124.05212	50.4
125.05984	2.8
125.09624	3.4
127.03943	2.5
135.08063	1.5
137.02336	22.1
137.06010	1.9
137.09622	1.6
139.07533	6.0
141.05469	1.4
145.00401	1.2
149.02379	2.2
149.09644	1.4
151.03912	89.4
151.04938	3.7
154.02625	1.6
155.06017	1.5
159.08102	1.1
162.06790	2.2
167.03479	2.4
168.04190	32.0
174.88643	1.2
179.10658	2.6
183.06535	100.0
189.05479	2.8
207.06516	4.8
209.08066	1.7
229.04080	1.4
229.06223	3.0
235.23814	1.3
239.05414	1.3
239.12778	3.9
257.05423	1.4
257.12805	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.2
55.01849	1.7
57.03433	4.6
58.73169	0.7
58.90854	0.8
61.02911	2.6
67.05503	1.0
69.03434	36.6
69.79210	0.7
70.46677	2.7
71.04979	2.6
73.02908	1.4
79.05477	0.8
81.02972	1.5
81.03423	23.3
81.07046	1.3
82.41602	0.7
83.01339	1.1
85.02908	46.9
91.05481	1.7
91.23904	0.7
93.06999	1.3
95.01334	100.0
95.04931	0.8
95.08607	1.4
97.02905	7.3
98.97587	1.4
99.04459	4.1
105.06985	1.0
109.02888	13.7
113.02374	86.1
127.03929	15.6
145.04860	1.0
198.10185	0.8
239.05539	3.8
257.19012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.8
55.01875	2.0
55.05527	0.9
56.96577	1.2
57.03442	3.9
61.02927	1.6
63.42041	0.8
67.05495	1.4
69.03438	37.2
69.07088	1.1
70.96481	1.6
70.96825	1.2
71.04996	2.3
81.03423	23.9
81.07034	0.8
81.84576	0.8
85.02911	47.7
91.05519	1.5
93.07040	0.9
93.71910	0.7
95.01338	100.0
95.08608	1.1
96.01727	0.9
96.16985	0.7
97.02903	5.8
98.97603	1.8
99.04472	4.3
103.05460	0.8
105.07061	1.7
107.08602	1.1
109.02897	14.1
113.02377	80.7
121.10190	1.0
127.03928	16.0
129.54076	0.8
131.08601	1.1
145.04922	1.4
189.15634	0.9
193.04942	0.9
239.05530	3.3
257.16461	0.8
257.19101	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93766	0.4
55.05515	1.9
55.23142	0.3
56.05032	4.1
56.96563	0.8
57.07075	1.5
60.31107	0.3
67.05505	6.9
69.07062	0.8
69.48429	1.1
69.48842	1.4
70.06597	2.8
78.44144	0.3
79.05479	0.7
81.07050	2.2
81.93784	0.4
82.06586	0.4
83.08622	0.7
84.08144	100.0
85.02891	0.4
85.10169	1.3
86.08961	0.4
91.05479	0.6
93.07037	0.7
93.81101	0.5
95.08630	0.9
97.08903	0.8
98.09698	4.2
98.20726	0.5
98.97586	1.2
98.98498	0.6
105.07076	0.7
106.86116	0.3
107.08522	0.5
109.06496	0.5
109.10175	2.1
110.59409	0.3
110.97591	0.4
113.09624	0.5
116.98643	0.5
119.08588	0.7
124.11228	0.5
126.12793	75.7
144.13838	8.4
163.07683	0.4
194.51048	0.4
198.22029	0.4
204.03883	0.4
209.67444	0.4
212.15097	0.5
225.35811	0.4
232.96304	0.9
256.22723	56.0
256.26184	2.7
257.23108	0.7
271.96967	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.3
56.05029	1.1
57.03422	0.7
61.02928	2.8
62.77542	0.3
64.60327	0.3
69.03431	0.6
70.06593	0.9
71.05000	0.4
71.49932	0.6
81.03458	0.5
82.06592	0.6
83.06126	0.4
85.02895	1.8
87.04477	0.4
91.03959	0.4
91.05486	0.5
94.06575	0.3
95.04969	0.8
96.08135	0.7
97.02911	0.9
97.08920	1.1
98.09692	7.9
105.07035	0.7
108.08089	0.4
110.09665	0.4
111.04434	3.4
114.05523	0.6
117.06984	0.3
119.01922	0.4
119.08586	0.4
120.08105	17.4
121.06525	2.1
122.09679	1.0
123.04411	0.7
124.03989	1.8
124.07539	0.4
124.11228	3.4
131.08563	0.3
132.08101	0.4
133.08853	0.4
134.09634	1.6
135.10442	1.3
136.07564	0.7
136.11212	2.7
138.09143	0.3
141.05420	0.8
145.06506	0.7
145.10141	1.3
146.09642	1.5
147.08083	0.9
147.10443	1.1
148.11214	21.0
149.09592	1.4
149.11995	1.8
150.09146	1.8
150.12788	2.8
152.10690	2.1
154.12257	1.0
155.08157	1.7
159.08017	0.9
160.11226	2.6
161.12021	0.4
162.09119	1.1
162.12764	0.5
164.10709	6.4
165.11502	4.2
166.12277	7.9
172.11287	0.4
173.09653	0.7
174.09154	1.4
174.12799	1.4
175.07535	3.7
175.11183	0.4
176.10674	1.6
177.09100	4.3
177.11446	0.6
178.12268	9.4
179.13040	0.5
180.10170	0.4
187.00555	0.3
187.09984	0.4
190.12312	4.1
191.10762	0.4
192.10199	1.2
192.13817	1.6
193.08676	1.2
202.12274	3.2
203.08932	0.5
203.10591	2.5
208.13321	5.8
210.11456	0.3
220.13332	8.9
221.11679	0.7
238.14374	92.4
239.14708	1.2
256.15430	100.0
257.15729	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1544
Annotation	Helifoline
Peak:m/z	Relative Intensity
54.00312	0.3
55.01870	0.4
56.05034	1.4
57.03445	0.6
58.29717	0.3
61.02935	3.3
69.03441	0.8
70.02156	1.6
70.06587	0.6
70.38507	0.4
73.02932	0.7
81.03400	0.5
82.06570	0.6
83.83430	0.3
85.02927	0.7
91.05466	0.5
93.07140	0.4
96.08118	0.9
97.02878	0.3
97.08926	0.6
98.09691	3.4
105.07047	0.4
108.08133	0.4
111.04449	1.3
116.73957	0.4
119.08594	0.5
120.08113	18.7
121.06498	2.6
122.06126	0.4
122.09692	0.7
123.04448	0.4
124.03967	5.4
124.11226	2.3
131.08589	0.6
132.08090	0.6
134.09662	1.5
135.07986	0.3
135.10426	1.5
136.07585	0.9
136.11230	2.5
137.09549	0.4
138.09145	0.6
145.06490	0.9
145.10147	1.2
146.09633	2.0
147.08058	1.3
147.10457	1.2
148.11215	24.3
149.06010	0.5
149.09592	2.1
149.12027	3.0
150.09143	2.7
150.12779	4.0
152.10706	0.9
155.08195	0.6
159.08040	0.7
160.11214	2.9
161.09607	0.7
162.09149	0.9
164.10728	11.2
164.12141	0.6
165.11516	7.4
166.12282	11.0
173.09569	0.7
173.11967	0.5
174.09196	1.7
174.12836	1.2
175.07538	3.0
175.11163	0.6
176.10733	1.5
177.07748	0.5
177.09106	3.6
177.11436	0.5
178.12273	15.7
187.09900	0.7
190.12259	3.7
191.10741	0.9
192.10225	1.0
192.13847	1.3
193.08617	1.8
195.10353	0.3
202.12289	2.7
203.10699	2.0
208.13338	3.4
210.14926	0.7
214.67419	0.4
220.13336	7.3
221.11763	0.7
238.14386	89.4
239.14760	0.8
256.15445	100.0
257.15732	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.9
55.01873	18.4
55.05514	31.1
57.03182	3.4
57.03438	51.2
57.07059	7.5
59.04993	2.2
59.76751	2.4
65.03923	2.2
67.05161	3.9
67.05508	77.3
69.07066	26.5
69.68375	13.8
71.01354	4.7
71.05002	10.6
71.81207	2.1
74.02617	2.1
77.03896	2.1
79.05497	68.0
81.03416	5.2
81.07060	41.1
83.04537	3.3
83.04987	45.6
83.08601	9.8
85.06528	7.1
91.05034	2.7
91.05489	28.8
93.07047	87.0
95.04961	8.9
95.08608	20.8
97.06530	28.6
97.10176	18.1
98.21471	2.7
98.98469	25.8
99.08093	2.2
100.98876	2.4
105.07038	8.5
107.04931	3.2
107.08601	62.1
109.06480	3.0
109.10160	10.8
111.08061	6.0
111.11720	2.5
117.07001	8.3
119.08591	10.8
121.06516	2.3
121.10170	13.9
123.11678	2.3
125.05992	2.4
125.09622	2.2
130.07796	2.4
133.10129	5.7
135.10658	4.8
135.11697	100.0
135.78815	2.0
145.10150	16.5
153.12729	16.2
163.11197	17.5
171.11668	2.1
181.12251	24.9
189.89166	2.0
199.13367	3.6
209.11595	2.4
211.14720	3.5
212.15680	2.5
237.16391	3.4
255.15730	47.5
255.21075	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	255.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.5
56.05030	0.2
56.96561	0.3
57.07083	0.5
67.01869	2.2
67.05500	0.6
68.99792	1.8
69.03419	0.2
69.07071	0.5
70.06610	0.2
71.05005	0.2
71.61122	0.1
79.05508	0.3
81.03423	0.2
81.07053	0.6
83.04971	0.1
83.08607	0.3
84.08146	4.0
85.06538	0.1
85.08467	1.0
91.01838	0.1
91.05486	0.3
93.07038	0.4
95.04963	0.1
95.08616	0.6
97.02905	0.2
97.06518	0.2
97.10132	0.2
98.09669	0.1
98.97581	0.6
98.98478	1.0
103.05471	2.8
105.03389	1.1
105.07027	0.5
107.08576	0.3
109.02876	0.2
109.10143	0.3
110.41467	0.1
111.00787	0.4
115.05426	0.2
116.98607	0.3
119.08572	0.2
121.10118	0.2
123.08041	0.1
125.02361	0.2
126.12798	2.6
127.03913	0.3
127.13152	1.1
127.40301	0.1
128.06177	0.1
129.01831	0.3
129.03358	1.8
129.06975	0.2
131.08562	0.2
133.10103	0.3
135.08075	0.2
135.11674	0.1
143.08574	0.1
143.55592	0.1
144.13847	0.1
145.10081	0.1
147.04410	1.4
152.06238	0.4
153.01830	9.6
153.06955	0.5
155.08554	0.1
157.10124	0.2
158.99655	0.3
159.08080	0.1
159.11755	0.1
163.11183	0.2
165.07022	0.1
169.06471	0.2
171.02890	0.7
171.04369	0.3
181.06470	0.4
186.06757	0.1
187.07501	0.5
195.07997	0.1
197.13400	0.2
199.11171	0.1
207.08116	0.3
209.05984	0.9
213.05519	0.5
223.58223	0.1
227.06926	0.2
231.06490	0.3
237.05487	0.2
237.14778	0.1
237.18517	0.1
253.07309	0.1
254.21078	0.7
255.06514	100.0
255.21364	1.1
256.06934	1.1
263.06006	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	255.0653
Annotation	Chrysin
Peak:m/z	Relative Intensity
52.33763	0.1
53.03940	0.2
53.42815	0.1
55.05491	0.5
56.96553	0.3
57.03435	0.3
57.06771	0.1
57.07067	0.2
58.93733	0.1
67.01525	0.2
67.01870	2.5
67.05492	0.6
67.05824	0.1
68.99789	1.6
69.03413	0.3
69.07069	0.7
69.32779	1.6
71.04985	0.2
79.05485	0.3
81.03413	0.2
81.07090	0.8
83.04974	0.3
83.08602	0.4
85.06529	0.3
91.05482	0.3
93.07040	0.5
95.04949	0.3
95.08598	0.6
97.02905	0.2
97.06542	0.2
97.10162	0.2
98.20753	0.3
98.97575	0.7
98.98480	1.5
102.28048	0.2
103.05474	2.5
105.03405	1.3
105.07004	0.2
107.08575	0.4
109.02878	0.2
109.10163	0.4
110.97578	0.2
111.00764	0.2
119.08608	0.2
121.06519	0.2
121.10133	0.4
127.04007	0.2
129.01845	0.3
129.03375	1.5
129.07021	0.2
133.10149	0.2
141.06992	0.2
143.08607	0.2
145.10161	0.3
147.04417	1.3
152.06122	0.4
153.01831	9.7
153.06972	0.5
154.99454	0.1
157.10167	0.2
159.11673	0.2
163.03911	0.2
164.04152	0.2
171.02899	0.5
171.04373	0.3
180.35579	0.1
181.06465	0.4
185.06000	0.2
187.07527	0.4
195.08116	0.2
197.06042	0.4
197.13507	0.2
199.07527	0.2
209.05981	1.2
213.05414	0.6
213.16386	0.2
219.17482	0.2
219.51425	0.2
227.07040	0.3
227.18214	0.1
231.06653	0.2
237.05507	0.4
252.30708	0.2
255.06517	100.0
256.06863	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15543	0.3
55.05251	0.5
55.05513	6.4
55.71168	0.3
56.05034	3.6
56.96570	0.7
57.03429	0.4
57.07079	0.7
58.58066	0.4
58.93300	0.3
67.01871	1.0
67.05502	6.1
68.05013	0.4
68.05824	0.6
68.99799	0.6
69.03424	0.7
69.07059	1.1
69.86733	1.3
69.87147	0.6
70.06602	2.4
70.06921	0.5
70.07387	0.5
71.04978	0.5
72.08120	0.4
78.30534	0.4
79.05480	0.6
81.07065	2.0
83.08618	3.7
84.08146	100.0
85.08474	0.8
88.38318	0.4
91.05478	0.5
92.41345	0.4
93.07034	1.0
95.08608	0.9
96.08089	0.5
97.08900	1.0
98.06065	0.7
98.09702	4.2
98.97604	1.5
98.98465	2.9
100.07624	1.1
103.05484	1.0
105.07019	0.9
108.08889	0.3
109.10193	1.9
116.98634	0.7
118.64874	0.4
119.08583	0.5
122.10545	0.5
123.19340	0.4
126.12797	81.5
127.13167	0.7
129.03407	0.5
132.23717	0.4
144.13829	6.1
147.04411	0.6
147.07909	0.3
153.01840	3.2
156.10210	1.0
191.52664	0.4
191.54488	0.4
196.13348	3.8
218.19943	0.4
254.09152	0.7
254.21169	43.6
255.06529	35.1
255.21284	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2163
Annotation	Hydnocarpic acid
Peak:m/z	Relative Intensity
53.03934	1.3
54.07111	0.8
54.86229	0.9
55.01874	1.8
55.05516	8.1
56.96551	2.5
57.03436	15.3
57.07053	3.0
67.05503	27.4
68.51792	0.8
69.03398	1.1
69.07065	8.4
69.60911	1.7
69.61316	3.8
71.04999	6.6
72.74554	0.7
79.05108	1.0
79.05495	12.0
81.07055	36.3
83.04957	1.9
83.08620	6.8
85.02883	1.0
85.06556	7.5
86.85387	0.9
91.05473	8.8
93.07038	14.3
95.04961	1.5
95.08604	44.0
97.02867	1.2
97.06530	2.0
97.10163	4.1
98.98465	100.0
99.08090	2.0
105.07041	7.5
107.08589	9.9
109.06537	1.4
109.10154	22.0
111.08102	0.8
111.11745	0.8
113.09622	1.0
113.39787	0.8
116.99483	2.5
119.08574	5.0
121.10146	17.9
123.08066	1.0
123.11716	8.5
125.05913	0.9
125.09638	2.5
127.03929	1.1
127.07426	0.9
131.08624	0.9
131.89029	0.8
132.66470	0.7
133.10162	7.1
135.11708	13.4
139.11177	2.4
141.05475	1.2
145.10114	1.1
147.11693	5.9
149.13222	3.3
151.11174	2.3
151.14792	0.9
153.12790	1.0
161.13242	5.8
163.14804	2.4
165.05663	1.0
165.06996	2.4
171.11720	1.0
171.13728	1.3
174.99515	2.7
175.14804	2.2
176.68330	0.8
176.98917	2.4
177.16357	1.3
179.10677	0.9
181.06596	1.1
183.11559	0.9
184.00223	2.5
188.99362	1.3
189.16444	1.2
193.06433	2.2
197.11691	2.1
197.99934	3.9
207.00537	1.9
209.50761	2.6
210.06738	1.9
217.19539	8.0
218.51262	4.9
221.01604	1.4
221.05974	2.9
225.09174	1.2
235.16998	0.9
235.20601	4.3
238.06354	1.0
252.99883	2.0
253.08693	11.4
253.11266	1.1
253.11800	1.1
253.14168	9.4
253.19560	1.4
253.21663	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	253.1799
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
52.86153	1.1
53.03939	1.0
55.01865	2.6
55.05515	6.5
56.96557	4.1
56.96828	1.0
57.03445	1.8
57.07064	3.9
59.04991	1.6
62.37403	1.0
65.03928	0.9
67.05508	22.9
69.03426	3.7
69.07066	13.6
71.05001	12.8
71.61848	1.8
75.09196	1.0
75.43764	1.0
79.05499	8.9
81.07063	25.0
83.04984	3.5
83.08623	5.1
85.02886	2.6
85.06548	6.1
87.03622	1.2
87.04450	1.1
91.05489	8.7
93.07048	13.7
93.09594	0.9
95.04981	11.2
95.08035	1.7
95.08611	19.4
97.02885	1.2
97.06524	4.1
97.10164	2.4
98.97596	3.2
98.98473	100.0
99.04476	1.3
99.08131	2.7
105.07042	13.1
107.04932	3.3
107.08607	19.0
109.02848	1.7
109.06503	3.2
109.10164	33.5
111.08060	2.7
111.11697	1.5
113.05972	1.3
113.09650	1.4
115.05421	1.2
116.98652	2.1
116.99499	1.9
117.07041	1.3
119.08582	12.4
121.06491	2.0
121.10158	11.3
123.08046	2.9
123.11699	5.8
125.05943	1.5
125.09647	7.4
127.07555	1.5
127.11211	1.7
128.98599	1.0
131.04904	1.7
131.08580	4.2
133.10124	7.5
135.08076	2.1
135.11688	7.9
137.09625	5.6
137.13246	1.2
139.11169	1.8
140.01076	1.1
141.05518	1.5
143.08594	1.5
145.10156	6.8
147.04431	1.4
147.08035	1.5
147.11694	17.3
149.09637	3.9
149.13286	2.8
151.11205	3.7
153.07031	1.3
153.12727	4.4
154.69539	1.1
156.09245	1.1
157.10132	3.2
158.99702	1.7
159.04414	2.2
159.11703	2.8
161.09621	3.5
161.13243	3.2
165.07045	2.3
165.12767	2.8
167.10680	2.4
169.10139	1.1
170.42554	1.1
171.11696	1.0
173.13344	1.2
174.99219	1.8
175.11150	2.6
175.14845	3.9
176.99002	1.2
177.00639	0.9
179.10623	2.2
189.16367	5.7
191.18018	1.7
193.06470	1.8
193.12280	2.2
193.15860	3.6
197.11661	1.8
199.14816	2.2
207.17511	1.3
210.06709	1.5
217.15887	7.0
217.19489	2.1
235.13229	1.5
235.16939	10.1
253.08701	5.7
253.14267	4.8
253.17874	5.5
253.21667	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	252.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.4
55.05503	1.7
56.05037	3.6
56.96566	1.0
57.07070	0.6
58.06594	0.4
67.05510	5.1
69.07061	0.7
69.70571	2.3
70.06595	2.3
77.07473	0.3
79.05492	6.6
81.07059	23.7
83.08572	0.4
83.73742	0.4
84.08145	100.0
85.08466	0.5
91.05432	0.4
95.04968	0.5
95.08620	0.5
97.08910	0.8
98.09690	3.1
98.97597	0.9
98.98470	6.1
105.07052	0.5
107.08582	0.8
109.06520	12.4
109.10146	1.3
113.60659	0.4
116.98655	0.5
119.08623	0.4
124.11251	0.5
126.12795	82.8
127.13161	0.6
144.13846	7.9
147.04485	0.4
162.09149	0.4
191.09175	0.4
192.13953	0.4
205.98697	0.4
224.70734	0.4
252.12260	1.0
252.19594	46.1
253.19835	0.6
256.26093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27029	0.8
55.05506	1.8
61.91552	0.8
71.61186	1.1
71.61584	1.4
81.07073	1.2
83.01371	0.7
87.00822	1.8
91.05505	2.1
93.07056	2.5
98.97562	1.6
98.98476	10.7
103.05474	7.5
107.73729	0.8
109.02862	1.1
118.06542	11.3
118.99832	1.0
120.08110	100.0
124.07506	0.9
125.02364	1.5
126.02737	1.0
128.05032	1.7
146.06021	18.9
164.07007	1.1
166.08644	2.1
186.09669	0.9
188.07069	20.4
191.12602	0.8
192.10152	1.0
206.08134	64.8
234.11462	1.3
235.91986	0.8
252.08699	1.0
252.12260	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.2006
Annotation	roughanic acid
Peak:m/z	Relative Intensity
53.03949	0.6
55.05518	3.7
55.15253	0.5
57.03443	0.8
57.07075	2.1
67.05510	6.1
69.07070	4.6
71.05025	0.7
71.61461	0.9
79.05490	3.0
81.07056	7.8
83.04989	0.7
83.08633	2.2
85.02077	0.7
85.06548	1.3
86.73180	0.5
91.05486	3.1
93.07049	7.1
94.79328	0.6
95.04975	0.9
95.08607	14.9
97.06552	1.7
97.10177	1.5
98.98469	100.0
99.08081	0.6
102.81306	0.6
105.07037	5.6
107.08594	10.5
109.06536	1.4
109.10147	9.0
111.08083	3.3
113.09663	0.9
116.99525	1.4
117.07037	1.8
119.08590	8.7
121.10137	7.5
123.08070	1.7
123.11705	2.9
125.09642	6.7
131.08574	3.7
133.04062	0.6
133.10133	36.9
135.11693	3.4
137.09645	1.0
140.01074	1.1
144.09375	0.6
145.10150	4.7
147.11697	5.9
149.13254	1.5
151.11212	1.4
152.04628	0.7
159.11694	14.7
161.13254	1.3
163.14836	1.0
173.13274	11.1
173.76639	0.6
174.99236	3.1
175.14801	1.5
179.14307	0.9
184.35616	0.6
187.14833	8.0
189.16379	9.6
191.17963	2.2
209.03380	0.8
215.17964	18.5
216.91273	0.6
233.18994	6.6
251.04541	1.9
251.16229	1.3
251.20064	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	250.1075
Annotation	Rigidiusculamide B
Peak:m/z	Relative Intensity
56.96504	2.5
57.03367	0.5
58.99527	0.5
69.03384	0.7
70.02866	0.8
70.06558	0.6
70.33129	1.7
71.04951	0.5
78.75247	0.5
82.06533	0.5
84.04477	0.7
84.08100	0.6
85.02838	1.5
88.03948	0.9
96.08083	1.7
96.24834	0.5
96.79207	0.5
97.02849	1.1
98.97515	2.0
98.98472	9.0
110.07142	1.0
112.02157	0.6
121.05093	0.5
124.11237	10.2
127.03889	0.8
127.05003	1.1
130.05739	0.5
130.06551	5.7
136.06136	0.6
143.07263	0.8
144.08084	5.0
145.08885	14.0
148.06172	4.2
153.01791	0.7
157.08900	0.5
158.09608	1.3
158.99579	0.6
159.06737	0.5
169.05157	0.6
171.06754	0.6
172.07596	7.9
173.08376	37.2
174.09149	3.3
176.09262	1.0
179.44328	0.5
181.55344	0.5
182.99551	0.8
184.07646	1.1
186.09154	100.0
187.09470	1.6
192.04588	0.6
201.00813	0.9
202.08638	29.4
203.09081	0.6
204.03340	0.8
204.08763	0.8
214.08624	11.0
214.10422	0.8
232.09764	97.1
233.09943	1.2
239.04335	0.7
244.99692	2.5
250.04106	0.8
250.11035	14.9
250.15833	5.1
263.00836	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	249.1851
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
55.05511	12.1
57.07071	2.3
59.04984	1.2
59.81704	0.8
61.19419	1.0
67.05507	6.1
69.07065	7.0
69.44939	7.5
79.05492	3.8
81.07061	6.7
83.08613	4.3
84.08123	2.4
85.08440	1.1
91.05471	5.8
93.07046	12.2
95.04926	1.0
95.08616	17.6
97.10153	3.3
103.05437	1.3
105.03381	1.5
105.07032	13.3
107.08595	13.6
109.06529	1.1
109.10157	13.6
111.04390	1.4
111.08083	1.5
119.04953	2.0
119.08578	28.2
121.06467	1.1
121.10145	12.4
123.04432	3.0
123.11682	2.9
125.06017	1.2
125.09676	1.1
126.12782	1.1
127.13152	1.1
131.08604	1.3
133.02814	2.9
133.10139	30.0
134.10539	0.9
135.11710	6.3
137.05948	1.2
137.09604	1.2
139.07515	1.8
143.08424	1.2
145.10161	1.6
145.59560	0.9
147.04401	5.6
147.08009	1.3
147.11699	22.3
149.09624	1.5
149.13229	3.9
151.03951	4.3
151.11241	2.0
153.09126	5.2
157.02713	1.1
157.10149	1.4
159.11745	1.5
161.13271	10.4
163.14862	1.7
165.05508	1.8
165.09071	1.4
167.10669	6.3
170.48163	0.9
174.14088	1.3
175.03914	1.7
175.14839	4.0
179.03378	8.6
179.10664	2.4
181.13707	0.8
189.16379	1.6
193.04982	4.0
193.12170	1.8
203.03424	3.2
203.17966	100.0
204.18358	1.7
205.19542	10.0
207.02893	26.6
221.04489	3.8
221.18974	6.4
231.17456	6.1
249.03955	42.0
249.14645	1.9
249.18520	18.0
250.04306	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1849
Annotation	Hexadeca-4,7,10,13-tetraenoic acid
Peak:m/z	Relative Intensity
53.03933	1.4
55.05513	9.1
57.03431	3.1
57.07058	2.3
57.82858	1.0
59.36652	1.2
60.63523	1.0
60.65807	1.0
67.05505	9.8
69.07072	12.4
71.00433	2.3
74.89550	1.0
75.55927	1.0
77.03909	1.3
79.05496	6.9
81.07056	14.1
83.08607	4.6
84.08125	4.3
85.06516	1.3
85.08443	1.5
91.05478	12.7
93.07058	12.0
95.04951	2.2
95.08604	16.1
97.06544	2.0
97.10155	1.2
98.97592	1.2
103.05447	3.1
105.07015	14.1
107.08598	16.4
109.06484	2.2
109.10152	10.6
111.08096	5.1
116.09962	1.0
119.04957	6.8
119.07790	1.3
119.08588	16.8
121.06493	1.4
121.10139	15.0
123.04457	6.3
123.08048	2.5
123.11679	3.1
125.09624	3.1
126.12768	3.0
127.13103	1.9
131.08577	4.9
133.02850	5.4
133.10136	14.5
135.08089	2.5
135.11707	5.1
137.05974	1.7
137.09589	2.6
139.07562	2.0
139.11211	1.6
143.08566	1.9
144.05817	1.4
145.10135	7.5
147.04420	20.5
147.11697	12.7
149.09572	3.9
149.13239	3.6
151.03920	10.0
151.11195	2.0
153.09103	2.3
156.09303	1.7
157.10162	3.1
159.04405	1.4
159.11690	3.5
161.09616	3.1
161.13297	7.7
163.11165	2.7
163.14833	2.8
165.05447	4.4
165.06732	1.1
165.08939	1.5
165.12668	1.8
165.99379	1.1
167.10736	2.4
171.11722	2.8
173.13257	3.7
175.03870	10.2
175.11218	1.8
175.14816	4.3
177.05388	1.9
177.12775	1.6
177.16373	2.1
179.03387	24.5
179.10680	2.6
180.03693	1.1
181.12151	2.2
185.13371	2.2
187.14825	3.1
189.12753	1.6
189.16396	6.2
191.14259	2.3
191.50131	1.2
193.04941	8.9
193.12253	2.9
203.03374	17.1
203.14241	1.3
203.17963	26.9
205.04997	1.2
205.15829	2.3
207.02892	46.8
207.13727	1.6
212.85422	1.1
213.16414	3.5
221.04471	11.2
221.19052	2.6
231.17442	17.3
249.03949	100.0
249.18529	79.2
250.04283	1.1
260.03918	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02405	0.7
52.61085	0.7
53.76174	0.6
53.97431	0.6
54.93832	0.7
55.05487	0.8
57.03424	0.8
57.83403	0.7
59.04988	0.7
59.35962	0.6
62.38568	0.7
65.03941	1.2
67.05499	1.9
69.03417	1.9
69.07064	1.2
71.61443	1.0
79.05482	1.9
81.03426	1.7
81.07062	1.5
83.04964	1.0
84.08146	2.3
85.02928	1.4
87.48747	0.8
91.05486	13.8
92.05774	0.7
93.07015	2.2
93.16976	0.8
95.04961	2.1
95.08598	1.1
95.91122	0.7
97.02902	1.5
98.97584	2.5
99.04430	1.0
103.05470	4.5
105.00077	1.1
105.03391	2.0
105.07031	3.8
107.04991	1.8
107.08590	2.4
109.02901	1.0
109.06487	1.6
109.10165	0.7
111.08086	0.6
115.05462	2.7
116.06240	2.3
117.07028	2.9
119.04947	9.9
119.08559	1.3
120.08104	1.1
121.02917	0.8
121.06505	1.0
121.10139	1.7
123.01109	1.0
123.04417	7.9
123.08088	1.3
126.12775	1.2
127.03906	1.0
128.06247	5.3
129.07016	10.4
129.59995	0.8
131.04941	4.1
131.08565	8.2
133.02855	6.4
133.06480	2.7
133.10161	2.0
135.08047	1.2
135.11745	0.9
137.09703	0.9
141.07037	4.8
142.07751	1.9
143.08611	2.3
144.05740	5.0
145.06506	3.9
145.10146	1.0
146.07310	1.6
146.08415	1.1
147.04414	24.3
147.08051	1.3
151.03918	7.4
153.01830	5.2
153.06897	0.8
155.06047	1.0
156.05768	1.2
157.02864	1.2
157.06503	5.4
157.10175	1.3
158.07257	1.3
159.04405	1.7
159.08054	11.0
159.09195	1.4
160.05145	1.3
161.06055	1.6
161.09631	3.7
161.10742	0.8
163.12259	1.0
165.05490	4.1
169.06369	1.6
169.07674	1.0
170.07236	3.4
171.04469	1.6
171.08043	3.0
171.11687	0.9
172.05148	0.9
173.06032	1.8
173.10762	6.7
174.06854	0.9
174.11539	41.0
175.03926	10.7
175.07520	2.1
175.12305	7.2
176.13084	2.7
177.05519	2.5
179.03406	29.1
185.05954	1.2
187.07545	8.3
187.12296	2.9
188.13147	5.0
189.05432	3.7
189.09099	4.8
190.06258	0.8
193.04982	7.8
199.07489	0.9
201.05437	1.4
203.03415	19.3
203.07022	3.4
203.15459	52.7
204.07860	4.6
204.09964	1.0
205.17044	1.5
207.02904	45.3
216.07861	1.7
216.12608	2.9
219.10052	0.9
221.04453	10.4
231.02892	2.5
231.06589	2.6
231.10118	3.6
231.14963	40.4
232.09584	0.9
249.03966	100.0
249.11264	42.0
249.16006	97.7
249.19635	5.5
250.04364	2.0
250.16319	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	Lyratol D
Peak:m/z	Relative Intensity
51.00501	1.6
53.03934	4.3
55.01883	1.9
55.05508	9.0
57.07072	2.8
60.77568	1.5
65.03943	1.8
67.01852	3.5
67.05503	20.0
68.99775	1.9
69.03065	2.2
69.03430	38.0
69.07080	4.1
69.41325	14.8
79.05505	15.7
81.07053	31.7
83.04989	22.7
83.08613	3.7
84.07680	2.6
84.08144	40.1
85.02879	4.7
85.07942	2.2
85.08482	17.0
91.05479	40.9
93.07047	43.0
95.04978	19.6
95.08608	21.9
97.06538	2.9
98.20739	3.3
98.97627	2.6
103.05448	4.8
105.03424	3.2
105.07034	23.2
107.08598	20.5
109.02896	7.5
109.06513	22.4
109.10145	6.6
110.07296	6.8
111.04403	4.7
111.08070	15.5
115.05475	2.7
116.06216	3.4
117.07012	6.2
119.04932	17.3
119.08580	60.6
119.09444	3.2
121.06513	13.6
121.10132	7.0
122.07269	2.3
122.82562	1.6
123.04404	3.8
123.08057	4.8
123.43069	1.4
126.12796	20.5
127.13129	21.5
128.06258	4.4
129.06982	6.6
131.08554	6.7
133.02827	2.5
133.06477	6.5
133.10094	8.6
135.08038	9.0
135.11719	2.0
137.06020	8.4
137.09605	12.7
139.07498	2.2
141.06931	2.6
142.07843	1.6
143.08528	4.4
145.06488	2.2
145.10112	7.2
147.04419	16.8
147.08052	100.0
147.11708	6.0
149.09616	4.8
151.03853	3.8
151.07530	3.0
155.08572	1.9
157.06436	1.8
157.10110	3.7
159.08046	7.5
159.11745	2.7
161.05992	5.9
161.09631	12.4
161.13257	10.9
163.11194	3.1
165.05479	37.4
171.08038	1.8
171.11646	4.6
175.03886	5.9
175.07552	13.3
175.14813	9.3
179.03407	14.7
179.06961	8.0
185.13220	7.7
187.07541	2.7
189.09114	4.5
189.12767	15.9
193.05070	2.4
203.03383	6.7
203.07040	2.9
203.14337	16.0
207.02901	17.0
213.12737	6.9
221.04460	5.4
224.58101	1.6
231.02902	1.6
231.13808	17.1
249.03972	50.4
249.11212	14.5
249.14830	67.1
249.16914	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1488
Annotation	Lyratol D
Peak:m/z	Relative Intensity
53.03938	5.2
55.05518	8.7
56.05023	1.6
57.07069	3.1
59.04978	2.4
65.03938	2.8
67.01851	2.3
67.05507	16.2
69.03434	39.1
69.07067	3.7
69.38918	2.9
69.39320	7.5
70.06590	1.8
71.04980	2.6
75.64359	1.1
77.03915	2.4
79.05498	13.0
81.03402	1.9
81.07061	26.3
83.04984	19.8
83.08601	3.9
84.08149	32.0
85.02895	5.5
85.08477	16.1
91.05486	39.7
93.07050	39.5
95.04976	20.7
95.08613	18.8
97.06520	2.2
103.05482	2.8
105.03397	2.4
105.07040	20.6
106.03759	1.4
107.04947	3.5
107.08602	19.8
109.02897	6.8
109.06521	21.1
109.10149	9.2
110.07305	4.6
111.04445	4.5
111.08085	11.1
115.05470	2.3
116.06252	3.2
117.07019	7.5
119.04951	14.0
119.08582	57.3
120.02982	1.4
121.06516	14.4
121.10139	9.1
122.07320	2.8
123.04448	2.2
123.08059	5.5
126.12812	14.5
127.13142	18.5
128.06226	4.1
129.07021	6.8
130.07825	1.5
131.04939	2.1
131.08572	7.5
133.06511	7.8
133.10141	9.9
135.08052	12.3
137.05980	12.1
137.09630	15.1
139.03967	1.3
139.07558	1.8
141.06926	1.9
142.07860	1.4
143.08560	4.6
145.06456	1.7
145.10184	6.3
147.04425	11.4
147.08055	100.0
147.11717	5.4
149.09624	4.1
151.03900	1.7
151.07568	1.9
156.09370	2.2
157.10114	3.0
159.08080	6.2
159.11699	2.5
161.05966	4.5
161.09654	9.3
161.13298	10.0
163.11234	2.6
165.05482	32.7
170.07248	1.9
170.10947	3.3
171.08147	1.7
171.11703	4.8
175.03996	3.1
175.07556	12.5
175.11238	1.6
175.14804	7.0
179.03394	8.8
179.07024	6.9
185.13260	4.8
186.82748	1.2
187.07558	3.8
189.09108	5.5
189.12773	15.5
191.66187	1.5
193.05052	1.5
203.03348	6.4
203.14349	14.9
204.07851	3.0
207.02937	8.7
213.12749	6.5
216.44177	1.4
221.04474	3.4
231.13799	16.7
249.03981	24.5
249.11250	18.3
249.14851	70.4
249.16896	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	249.1122
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
60.65528	0.6
62.43344	0.5
67.05499	1.3
69.03410	0.7
70.71941	1.6
71.04988	1.8
79.05482	0.7
82.88413	0.5
91.05486	6.4
97.02902	0.8
103.05459	1.5
105.07024	2.9
107.04946	1.3
115.05447	5.6
116.06254	3.0
117.06963	2.6
119.04956	1.5
123.04408	0.8
128.06221	8.4
129.07001	19.5
130.07793	0.5
131.04924	2.2
131.08566	18.0
132.05724	1.0
133.02734	0.6
133.06519	3.3
133.10118	0.9
141.06992	9.1
142.07774	4.1
143.04930	0.8
143.08580	2.6
144.05692	8.0
145.06487	4.4
146.03592	0.7
146.07237	2.6
147.04387	3.3
147.39708	0.5
152.06203	1.2
153.01820	0.7
153.06975	2.0
155.04886	0.6
155.06056	2.1
156.05707	1.6
157.06497	9.6
158.07278	3.0
159.04422	0.7
159.08054	28.2
160.05183	1.3
161.05995	4.2
161.09624	6.8
167.07027	1.2
169.06410	1.3
169.07642	3.3
170.07295	7.7
171.04434	1.3
171.08076	6.2
172.05254	2.8
173.05988	4.2
174.06754	2.5
174.11649	0.6
175.03914	1.0
175.07562	3.1
178.06274	1.0
179.03381	2.6
186.06853	0.9
187.07547	18.2
188.08250	0.8
189.05457	2.7
189.09119	8.2
190.06277	1.1
191.07104	1.6
193.04930	0.8
198.06749	1.2
199.07498	3.3
201.05334	1.3
201.09093	0.5
203.03415	1.7
203.06969	5.1
203.15450	1.2
204.07811	11.9
205.08516	2.6
206.09447	1.0
207.02927	3.4
216.07776	4.0
217.08633	0.9
218.09373	0.8
219.10120	1.8
221.04546	1.0
221.08202	0.7
221.11757	3.0
231.10204	6.7
249.04079	7.4
249.11232	100.0
250.11679	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
56.32961	4.9
68.56597	5.9
71.60577	6.9
86.05254	5.6
119.01910	10.9
119.17081	5.8
227.93715	5.6
249.03752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1122
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
54.71579	0.6
56.96562	0.8
61.24519	0.6
61.97618	0.5
65.03915	0.7
67.05495	1.2
69.03419	1.4
71.61016	0.7
72.01402	0.6
72.01797	0.6
72.80518	0.6
79.05475	1.1
81.83868	0.6
84.08131	0.9
91.05486	20.9
98.97578	2.2
103.05489	1.4
105.07042	3.4
107.04930	2.2
110.97548	0.9
112.99134	1.4
115.05441	4.4
116.06271	3.4
116.06988	0.5
117.06984	2.7
119.04914	1.7
119.08563	1.0
121.06470	1.1
123.04383	1.5
128.06200	9.3
128.98555	0.8
129.07011	20.7
130.07768	0.9
131.00166	1.1
131.04926	2.4
131.08569	16.1
132.05714	1.1
133.02858	0.8
133.06522	3.0
133.10135	1.6
134.99602	0.6
141.06989	8.5
142.07785	4.3
143.04913	1.0
143.08546	2.8
144.05714	8.8
145.06477	5.2
146.03561	0.5
146.07274	3.2
147.04404	6.4
147.08081	0.6
151.03822	1.6
152.06181	1.3
153.06967	1.4
155.04939	0.7
155.06081	1.5
156.05666	1.3
157.06508	9.3
158.07248	2.5
159.04367	1.1
159.08064	24.2
159.09384	1.3
161.05991	4.0
161.09631	5.7
163.12318	0.7
165.05467	1.4
167.07091	1.2
169.06401	1.6
169.07645	3.4
170.07288	8.2
171.04388	1.7
171.08049	5.5
172.03824	0.8
172.05170	3.2
173.06044	4.4
174.06776	2.8
174.11549	0.7
175.03946	1.4
175.07521	2.2
179.03378	5.3
184.05185	0.7
185.01208	1.6
185.05942	1.4
187.07547	16.7
188.08377	0.7
189.05508	3.5
189.09091	7.7
190.06238	1.0
191.07080	1.5
193.04932	1.1
193.08664	0.9
198.06796	1.6
198.90501	0.6
199.07555	2.7
201.05499	2.0
203.03526	3.4
203.07030	6.2
204.07835	11.9
205.08603	2.5
207.02908	6.5
216.07851	3.9
217.08617	0.7
218.09331	1.5
219.10248	1.7
221.04575	3.0
221.07968	1.0
221.11682	3.3
231.10179	6.6
231.15054	0.8
234.08763	0.8
245.03557	1.0
249.04008	18.9
249.11234	100.0
249.19630	2.2
250.11365	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	248.1644
Annotation	beta-Eucaine
Peak:m/z	Relative Intensity
53.03963	0.6
55.05500	1.2
56.05040	5.2
61.61371	0.4
67.05509	6.1
70.06599	2.8
70.14137	1.3
79.05516	0.9
81.07046	1.0
83.07349	0.5
84.08144	100.0
96.08153	0.4
97.08904	1.5
98.09692	4.5
105.03398	6.9
109.10158	1.9
123.04456	0.6
126.12794	68.5
194.38164	0.3
248.16470	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	248.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.6
56.05038	3.3
56.96551	0.7
67.05507	3.2
69.03425	0.8
70.06580	1.2
71.61205	0.5
72.08146	0.7
75.37036	0.4
78.80775	0.4
81.07059	2.2
82.06568	2.6
84.08141	100.0
85.02935	0.8
85.08453	0.7
91.05486	0.6
96.08105	0.7
97.02880	0.6
97.08916	0.7
98.09682	5.3
105.00108	0.8
106.06536	0.6
107.08576	0.4
108.04497	0.4
109.10134	0.9
112.11159	0.4
119.04938	1.2
124.07601	0.5
124.11227	20.2
125.11559	5.4
126.12789	48.4
127.03909	1.1
131.04942	0.5
134.05965	0.5
140.07094	0.5
142.12271	17.2
144.08374	1.2
144.13828	1.0
147.04399	2.0
150.05501	1.2
151.08675	4.1
151.12994	0.7
154.12270	2.1
165.05444	0.6
167.12979	2.5
175.03915	0.8
177.12369	0.6
179.03384	1.7
182.11754	8.4
182.13263	0.7
182.99661	1.4
184.00034	0.7
185.14111	4.7
191.16217	0.7
193.04909	1.2
200.07097	0.7
201.00685	2.9
202.01044	1.0
202.12596	3.8
203.03380	1.0
207.02925	2.7
217.13148	2.9
219.01770	0.5
221.04420	1.2
230.08136	0.7
230.12064	5.9
230.13901	0.6
248.02869	0.8
248.09047	1.3
248.13156	51.9
248.16982	2.4
248.19995	3.0
248.22148	9.2
249.03925	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	248.113
Annotation	Valinopine
Peak:m/z	Relative Intensity
53.19359	0.6
55.05512	6.5
56.05022	0.6
56.96563	0.8
57.03434	3.6
60.98095	0.5
62.44495	0.6
67.05562	0.5
69.03445	0.9
69.35931	0.5
72.08157	100.0
81.07067	1.3
84.04507	0.7
84.08141	3.0
85.02907	53.1
85.06555	0.5
91.05459	0.7
98.97603	0.7
99.08077	0.6
103.03968	1.0
105.03407	0.6
113.55867	0.5
116.98673	0.9
118.08656	31.6
119.04959	1.0
123.04478	0.9
124.11205	3.5
125.11594	0.8
126.12788	2.1
131.03416	5.0
133.02887	0.7
141.38586	0.5
147.04422	3.1
149.69984	0.6
151.03870	0.7
153.01915	1.6
156.10202	3.5
158.99545	0.6
175.03940	1.4
177.05460	0.9
179.03476	2.4
184.09686	2.7
193.05025	1.2
200.07089	0.5
202.08794	1.5
202.10739	15.0
203.03471	1.8
207.02943	4.1
221.04529	1.8
229.06360	0.7
230.10374	1.9
248.02856	1.4
248.09250	1.9
248.11154	1.5
248.13104	1.6
248.16676	1.8
248.19843	3.4
248.22301	2.5
249.03964	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	247.2171
Annotation	(+)-N-Methylaloperine
Peak:m/z	Relative Intensity
55.01847	0.4
55.05500	1.2
56.05025	1.0
56.96569	26.8
58.06328	0.6
58.06602	8.6
67.05511	0.3
67.10516	0.3
69.03451	1.9
69.07083	0.9
70.06588	1.5
70.32128	0.6
70.32500	0.8
70.98119	6.4
71.04987	0.8
71.95267	0.4
72.08150	1.2
73.02898	0.5
74.97594	0.5
79.05490	0.4
81.03432	0.9
81.07048	0.7
82.06567	2.0
83.04988	0.8
84.08144	4.7
84.96030	1.6
85.02929	2.0
86.09718	7.2
86.97629	0.9
88.99146	1.1
91.05457	0.5
96.08136	1.2
97.02870	1.7
98.06168	0.4
98.09695	1.1
98.97587	4.4
99.04481	0.5
100.99168	2.7
101.00898	1.8
103.00651	1.1
105.07056	0.6
109.02960	0.5
110.09718	2.6
110.97590	2.6
112.95502	1.0
112.99124	0.4
115.00688	0.7
115.02429	0.6
116.98617	2.3
119.00170	0.9
119.01911	2.7
119.08561	0.4
120.08115	0.9
121.01689	1.0
122.09669	1.5
124.11236	66.6
125.11629	0.3
126.97054	0.5
127.03900	2.0
128.98613	1.9
130.09653	0.4
130.12247	0.5
130.96535	0.7
131.01909	0.9
133.01735	1.4
133.03488	0.7
134.09666	0.7
134.99644	0.5
135.10435	2.0
136.11247	0.9
141.71548	0.4
143.00169	0.8
143.01952	0.8
144.98093	11.1
145.01622	0.8
145.03471	0.6
146.99619	1.2
147.03223	0.5
148.11252	1.3
148.97655	0.4
149.11966	0.4
150.12790	27.3
153.01860	0.5
154.03899	0.8
156.98111	1.3
157.01701	0.6
157.03522	1.0
158.99599	0.7
159.03296	0.7
159.05084	0.9
160.04843	0.9
160.11223	1.0
161.01231	1.3
161.02962	1.0
162.12753	1.8
162.99162	6.9
163.02716	0.8
164.14374	2.2
173.03046	0.4
173.12016	0.4
174.12808	3.3
174.49164	0.4
174.99167	1.0
175.02783	1.2
175.04547	0.8
176.14372	1.8
177.00696	0.7
177.04262	0.6
181.00143	0.8
182.99734	0.5
184.03111	0.4
185.02992	0.8
186.99184	1.7
187.02773	1.0
187.04483	0.8
187.13521	0.5
190.15915	20.9
201.00745	0.7
201.02371	0.5
201.15120	1.7
202.15936	2.5
203.03981	0.6
204.17500	1.5
205.00209	11.7
205.03761	0.8
205.05571	0.8
219.01770	0.9
223.01262	10.9
223.04721	0.5
224.06926	0.9
230.19107	0.9
241.02287	0.5
246.02931	0.5
247.02351	1.1
247.04668	0.9
247.06717	1.0
247.21710	100.0
248.19856	0.7
248.22093	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	2.1
55.05518	12.2
56.96559	5.3
57.07077	5.7
64.60732	1.4
67.05508	8.8
69.07062	9.1
71.04984	1.7
77.03939	1.3
79.05512	8.3
80.48605	1.3
81.07065	12.3
83.04997	2.1
83.08630	4.5
84.08159	9.1
91.05482	16.3
93.07052	23.9
95.08612	21.2
97.10171	1.7
98.65679	1.3
103.05442	2.1
104.99279	4.0
105.03380	1.6
105.07036	34.0
107.04967	1.6
107.08607	30.2
109.06540	3.0
109.10175	8.0
115.05466	2.5
117.07007	7.9
118.07843	1.6
119.08586	53.6
121.06506	1.3
121.10146	12.2
123.08092	2.1
123.11716	2.4
124.11232	20.4
125.06008	1.7
126.12819	4.4
129.07027	4.1
130.07834	3.2
131.08569	35.9
133.10136	67.7
135.04428	2.0
135.08015	2.3
135.11681	1.9
137.13255	1.9
139.07590	1.4
143.08578	4.2
144.09354	3.1
145.06494	2.7
145.10132	41.4
145.11269	2.3
147.11711	12.0
149.05963	2.5
149.09621	3.3
150.12740	2.0
151.07542	5.0
157.10135	6.6
158.10806	2.3
159.08063	5.7
159.11705	40.9
161.13249	12.3
163.03935	4.0
163.07590	9.5
165.09140	4.8
169.10193	1.7
171.11742	2.9
172.12543	3.7
173.09688	7.4
173.13272	20.5
175.14893	4.5
177.09126	46.2
185.13289	1.6
186.14046	2.3
187.11201	3.0
187.14870	5.1
190.15955	1.8
191.10695	7.8
192.62003	1.4
201.00734	3.2
201.16399	100.0
203.18018	8.3
205.12105	1.8
211.14871	2.8
219.17461	3.7
229.08644	2.2
229.15843	17.1
247.02394	8.9
247.16928	36.2
247.21706	15.9
247.24579	4.6
248.16541	2.9
252.17511	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1694
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05510	9.1
56.96572	1.7
57.07093	1.8
67.05502	4.8
69.07069	5.5
69.55135	1.8
69.55558	3.7
73.02931	0.9
79.05486	5.1
81.07064	8.0
83.08627	3.5
84.08173	2.8
87.84670	0.8
89.02591	0.7
91.05483	12.7
93.07049	17.9
95.04991	1.2
95.08614	17.1
97.10210	1.4
103.05542	0.8
104.99316	2.9
105.07039	25.9
105.07757	1.5
107.08600	22.7
109.06515	1.1
109.10143	4.8
111.08115	1.0
115.05480	1.1
117.07018	6.1
119.08588	37.8
121.06522	1.0
121.10151	8.6
123.11707	1.4
124.11224	7.0
126.12812	1.2
129.07016	1.2
130.07796	1.4
131.08574	26.8
133.10135	48.9
135.08153	1.1
135.11719	2.2
137.13312	0.7
139.07567	2.3
143.08595	1.9
144.09348	2.0
145.06522	1.6
145.10126	35.3
147.08067	1.0
147.11665	8.1
149.06004	2.0
149.09653	3.7
149.13361	1.2
151.07597	2.6
153.09131	2.0
157.10135	4.4
158.10985	1.5
159.08093	3.7
159.11703	30.5
159.13019	1.7
161.09637	1.1
161.13258	7.1
163.07562	8.2
163.11331	0.9
165.09155	2.1
171.11765	2.8
172.12474	1.6
173.09656	3.2
173.13260	14.0
175.14894	2.3
177.09117	31.4
179.10699	1.9
186.14091	1.5
187.11169	3.6
187.14853	1.8
191.10667	5.8
201.00732	1.0
201.16396	100.0
202.16791	0.8
203.17953	7.8
205.12367	2.1
211.14795	1.9
219.17413	3.5
229.15909	12.1
229.19490	1.6
247.02435	2.2
247.05925	0.9
247.16940	27.2
247.21918	4.2
247.23886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.1
55.05514	13.3
56.96560	3.8
57.07072	2.8
59.04996	1.9
65.03954	1.5
67.05511	9.1
69.07074	6.1
70.78135	3.0
72.86305	1.1
76.41560	1.1
77.83146	1.1
78.80181	1.1
79.05507	8.4
81.07062	11.4
83.08617	4.3
84.08147	4.6
91.05489	18.9
93.07048	25.4
95.05002	3.3
95.08611	23.4
97.10147	3.3
99.04472	2.1
103.05450	1.8
104.99289	3.7
105.03432	1.4
105.07035	31.9
107.08601	28.6
109.06530	1.9
109.10192	6.9
111.08070	1.4
115.05477	1.5
117.07018	9.1
119.06107	1.3
119.08583	48.3
119.28896	1.2
121.06489	1.4
121.10144	10.4
123.08043	1.9
123.11681	1.7
124.11222	8.5
125.05974	1.4
126.12809	3.5
129.06984	3.0
130.07779	3.0
131.08578	34.5
133.06523	1.5
133.10130	59.1
135.08052	2.9
135.11720	2.2
139.07516	2.5
143.08530	4.0
144.09360	2.2
145.06522	1.8
145.10129	40.8
145.11278	2.3
145.19397	1.1
147.11690	10.4
149.05981	3.6
149.09592	4.2
150.12801	1.1
151.07555	4.1
153.09137	2.5
157.10114	4.0
158.10960	2.0
159.08055	4.6
159.11696	39.0
161.13246	7.7
163.07558	9.0
163.11198	1.1
165.09132	4.1
171.11685	2.5
172.12497	3.0
173.09660	6.7
173.13293	17.5
175.14806	3.4
177.09113	41.6
179.10690	1.8
186.14134	1.5
187.11197	4.1
187.14853	3.4
191.10568	6.3
201.00732	1.8
201.16389	100.0
202.16759	1.9
203.17952	11.3
205.12260	1.9
211.14864	1.6
215.12038	1.3
219.02910	1.8
219.17455	3.7
229.15881	14.9
229.19456	2.0
247.02324	3.0
247.13135	1.7
247.16945	26.9
247.21626	5.2
247.24387	2.5
248.16502	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.48735	0.8
55.05517	4.8
56.62547	1.0
56.96562	1.3
57.07083	1.4
65.03907	1.0
67.05511	5.6
69.07076	5.4
69.53905	5.0
69.54323	1.3
79.05502	5.3
81.07063	6.9
83.08604	2.3
84.08149	2.2
91.05479	8.9
93.07059	12.6
95.08616	10.6
97.06525	1.0
97.10172	1.4
105.06367	1.5
105.07037	20.5
107.08606	16.0
109.06499	1.3
109.10175	4.6
117.07018	4.7
119.07776	1.6
119.08595	23.5
121.10162	6.9
124.11240	3.6
126.12775	1.9
129.07065	1.3
131.08578	22.0
133.10139	36.0
135.08052	1.3
139.07541	2.3
143.08563	2.2
145.10135	29.1
147.11720	5.8
149.05971	1.8
149.09622	1.8
151.07532	1.4
153.09117	1.1
157.10126	1.3
159.08081	2.0
159.11714	23.2
161.09616	1.2
161.13266	4.5
163.07564	4.8
165.09106	2.0
171.11662	1.5
173.09622	3.3
173.13261	11.6
175.14879	1.4
177.09126	17.8
179.10686	2.3
186.14027	1.8
187.11250	2.8
187.14841	1.9
191.10701	3.3
199.14693	0.8
201.16406	100.0
202.16745	1.3
203.18021	5.1
205.12366	1.1
219.02916	1.2
219.17451	4.5
229.15872	7.5
247.02420	2.1
247.16977	28.5
247.21651	3.6
247.24313	1.4
248.16605	1.6
249.78383	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1695
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05523	6.0
57.07064	1.4
67.05522	4.6
69.07073	6.4
70.75858	1.9
70.76231	1.8
77.08630	0.8
79.05502	5.8
81.07071	6.6
83.08612	3.2
91.05482	11.7
93.07051	16.1
95.08610	14.1
97.10207	1.0
98.20750	1.1
99.04462	1.3
105.07042	22.1
107.08608	18.9
109.06574	1.3
109.10166	5.5
115.05447	1.0
116.06188	1.0
117.07055	5.7
119.08590	37.2
121.06497	0.9
121.10139	8.8
123.11713	1.5
124.11261	2.0
125.06004	1.2
127.38831	0.8
129.07025	2.1
130.07838	2.3
131.08583	22.9
133.10144	47.4
135.08093	1.4
139.07532	2.2
143.08559	1.5
144.09351	2.0
145.10144	32.5
147.08058	1.0
147.11702	7.1
149.06003	1.3
149.09579	3.1
151.07513	4.0
153.09079	1.6
157.10139	3.1
159.08049	4.2
159.11705	31.3
161.13261	5.6
163.07541	7.3
165.09093	3.5
171.11693	2.7
172.12480	2.3
173.09633	5.0
173.13281	14.5
175.14857	2.6
177.09119	30.0
179.10764	1.5
185.13206	1.0
186.14000	2.4
187.11156	4.0
187.14850	2.2
191.10661	3.7
199.14787	1.2
201.16406	100.0
202.16733	1.9
203.17975	8.9
219.17387	4.8
229.15866	11.7
229.19431	1.2
247.16965	27.3
247.21136	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03955	1.3
55.05288	1.1
55.05515	10.0
56.96556	1.9
57.07061	3.0
58.97295	1.0
61.37909	0.9
67.05512	7.9
69.07062	7.0
71.04982	1.8
71.11940	2.1
71.12284	1.2
79.05494	8.3
81.07063	10.4
83.08605	4.3
91.05486	17.3
93.07043	21.5
95.04965	1.5
95.08607	18.1
97.06514	1.0
97.10178	2.6
105.07036	29.5
107.08609	24.2
109.06525	1.6
109.10195	6.3
115.05449	1.7
116.06259	1.3
117.07004	6.7
119.06175	1.1
119.08584	48.6
119.45155	1.0
121.10160	10.7
123.11711	2.2
124.11228	4.0
129.06981	1.7
130.07828	2.5
131.08571	30.0
133.10135	59.5
133.29021	0.9
133.73692	1.1
135.04492	1.0
135.08072	2.4
135.11650	2.3
139.07555	2.6
143.08580	2.8
144.09331	2.9
144.25653	1.0
145.06558	1.8
145.10132	36.5
147.11691	9.0
149.05948	2.7
149.09634	2.2
151.07558	3.4
153.09103	2.5
156.09290	1.0
157.10147	4.4
158.10907	1.8
159.08063	5.5
159.11694	38.2
161.09647	1.1
161.13251	8.5
163.07556	8.0
165.09103	2.9
171.11673	2.8
172.12506	1.5
173.09666	5.8
173.13261	15.7
175.07545	1.6
175.14827	3.7
177.09114	37.9
179.10687	2.1
186.13950	1.4
187.11185	3.6
187.14841	2.1
191.10684	6.6
201.00719	1.2
201.16397	100.0
203.17950	9.6
205.12151	1.6
211.14804	1.2
219.17438	3.6
229.15887	17.8
247.02368	2.0
247.16943	29.6
247.21310	2.7
248.16655	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
53.03939	2.3
55.05507	10.2
55.15061	1.1
56.96544	1.5
57.07072	12.9
59.34646	1.2
66.23907	1.2
66.42343	1.3
67.05512	9.8
67.28583	1.2
69.03436	1.2
69.07068	8.6
70.30158	4.1
79.05506	9.2
81.07066	10.0
83.04975	5.2
83.08611	4.1
84.08134	5.7
84.57362	1.1
91.05483	13.9
93.07043	20.3
95.04964	2.4
95.08606	17.8
97.10161	2.5
98.21358	1.5
99.04426	1.9
103.05469	1.8
104.99278	1.7
105.07035	28.1
107.04927	1.6
107.08590	24.6
109.06511	3.1
109.10156	7.4
115.05437	1.6
117.07005	7.7
119.08585	41.8
121.10147	11.3
123.08071	1.6
124.11243	8.4
125.05991	2.7
125.09674	1.5
126.12795	4.2
129.07016	3.3
130.07816	2.5
131.08575	31.2
133.10132	54.6
135.08098	1.3
137.13341	1.4
139.07538	2.4
143.08559	4.5
144.09355	3.5
145.06496	2.3
145.10123	42.7
147.11690	12.0
149.06021	2.5
149.09596	3.4
149.13306	1.8
151.07559	4.2
153.09122	2.0
155.08524	1.6
157.10117	6.4
158.10924	2.0
159.08070	4.1
159.11688	36.5
161.13272	9.5
163.03909	2.0
163.07535	9.4
163.11182	10.3
165.09160	3.0
172.12402	3.4
173.09566	6.7
173.13255	18.1
175.07576	1.6
175.14801	2.7
177.09113	35.3
177.10637	2.1
179.10716	1.6
179.46584	1.3
183.11670	2.1
185.13333	1.8
186.14018	1.7
187.11177	5.3
187.14876	3.4
191.03423	1.9
191.10672	4.8
201.00693	1.6
201.09190	1.7
201.16389	100.0
202.16655	1.9
203.18001	7.3
205.12254	1.9
211.11230	1.3
211.14827	2.9
212.73549	1.2
216.11420	2.2
219.03001	2.4
219.17435	3.0
229.12280	2.9
229.15871	17.6
229.19438	2.3
247.02333	7.0
247.13176	2.7
247.16930	36.5
247.21672	8.4
247.24550	4.2
248.16522	3.0
255.61928	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1691
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
50.56033	0.2
52.15926	0.2
53.03943	0.2
55.05511	2.0
57.06819	0.4
57.07079	5.8
58.06587	0.6
58.07409	2.2
62.06097	0.4
67.05510	1.3
68.05020	0.3
69.07070	1.5
70.06595	9.2
70.06984	0.5
70.85654	0.8
71.06315	0.3
71.06924	3.2
71.08649	1.4
72.08932	0.7
79.05499	1.3
81.07063	2.1
83.08598	0.7
84.08136	0.8
85.10177	0.5
86.10467	0.3
88.07635	12.6
89.07376	0.6
89.07948	4.4
91.05470	2.3
93.07038	3.5
95.08604	3.3
95.29061	0.2
102.09177	3.0
103.09489	1.7
105.07031	4.6
106.07984	0.5
106.08669	5.9
107.08468	3.8
109.10150	0.9
112.19394	0.2
115.05423	0.3
116.06273	0.2
117.07040	1.3
119.08582	5.8
121.06498	0.4
121.10152	1.5
123.08092	0.3
123.11725	0.3
124.11209	1.0
126.12795	0.7
129.07022	0.6
131.08562	4.9
133.06407	0.3
133.10138	7.2
135.08049	0.5
135.11705	0.7
143.08574	0.7
145.06400	0.3
145.10127	7.3
147.11685	1.4
149.06006	0.3
149.09549	0.3
150.12685	0.4
151.07527	0.4
153.09077	0.4
157.10150	0.6
159.08067	0.7
159.11696	5.2
161.09625	0.3
161.13234	1.1
163.07536	0.9
165.09102	0.5
171.11719	0.6
173.09608	0.9
173.13251	2.3
175.14795	0.5
177.09113	4.3
179.10654	0.5
187.11183	0.7
187.14789	0.4
191.10701	1.2
201.16389	20.7
202.16760	0.3
203.17934	1.3
203.22002	0.9
214.53653	0.3
219.02888	0.4
219.17424	0.9
229.12311	0.3
229.15880	2.2
229.19783	0.3
229.23579	7.2
247.02347	0.6
247.17029	7.0
247.24619	100.0
248.16588	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1331
Annotation	Parishin B
Peak:m/z	Relative Intensity
53.03935	3.3
54.26320	1.0
55.01868	2.0
55.05492	4.6
56.49231	0.9
56.96547	1.1
57.07076	2.4
59.04992	2.0
63.66147	1.0
65.03941	5.8
67.05494	5.5
69.03439	19.9
69.07063	1.5
70.75439	2.4
70.75758	1.1
74.58751	1.0
78.10451	0.9
79.05499	8.4
81.07064	7.0
82.61226	1.0
83.04985	18.9
83.91255	1.1
85.02881	1.4
85.06509	1.3
90.20837	1.0
91.05483	16.4
93.03389	4.4
93.07050	12.6
95.04984	6.5
95.08627	1.5
96.08041	0.9
97.02901	7.7
97.06489	1.8
105.07037	13.8
107.04931	2.3
107.08600	13.9
109.02876	12.7
109.06516	11.7
109.10162	2.2
111.04439	4.8
111.08060	2.1
115.05454	4.2
117.07021	12.4
119.08594	15.7
121.02902	5.6
121.06508	16.2
121.10172	6.0
123.08031	2.9
124.11213	4.0
125.09638	1.6
128.06212	3.9
129.06985	5.4
130.07750	1.8
131.04895	1.2
131.08565	16.2
132.05731	1.5
133.06499	2.6
133.10136	9.7
135.07085	2.2
135.08057	27.2
137.06006	4.9
137.09579	2.8
139.03886	1.5
141.06993	2.5
142.07764	2.2
143.08588	10.9
144.05757	1.2
144.09358	8.6
145.06479	11.9
145.10144	11.6
147.08028	6.9
149.05992	1.5
149.09627	23.0
150.10379	2.8
151.11182	4.5
153.06989	1.6
153.09050	1.6
154.07771	1.5
155.08551	4.7
157.06441	2.3
157.10141	3.6
158.07297	2.4
158.10947	11.7
159.08081	12.6
159.11697	26.9
160.08786	2.9
161.09599	6.1
163.07555	19.7
163.11168	3.1
165.09131	1.9
167.08525	1.3
168.09375	4.2
169.10172	2.2
170.10913	6.0
171.08055	8.0
171.11723	1.3
172.08850	17.8
173.06012	2.0
173.09639	27.8
173.13260	31.8
175.03894	1.5
175.07607	1.4
175.14728	1.0
177.09038	1.4
183.11662	7.8
185.09727	2.1
185.13274	2.3
186.10414	22.0
187.07584	3.2
187.11189	100.0
188.11842	1.1
189.09093	2.7
191.07040	37.7
193.10191	1.4
196.08813	5.4
199.07521	1.8
201.12753	54.4
203.14307	1.1
205.12221	5.8
211.11160	9.7
214.09825	4.3
219.13875	6.1
229.12234	59.5
247.02332	3.5
247.13304	75.2
247.21831	5.2
247.23984	1.0
260.73773	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.9
56.96568	100.0
58.06590	2.6
61.02900	0.8
69.03448	1.2
70.32554	3.0
70.98122	25.6
71.95280	0.9
74.97594	1.8
79.05518	1.0
81.03432	0.7
83.08591	1.1
84.04488	0.9
84.08128	3.4
84.96043	6.9
85.02898	1.9
85.06532	1.0
86.97598	3.3
88.99168	5.1
94.33192	0.7
98.97576	6.5
100.99155	10.5
102.46439	0.8
110.09685	1.1
110.97580	9.3
112.95519	4.2
115.00710	1.6
116.98622	2.9
118.08622	0.9
119.00208	2.3
119.01817	1.1
124.11230	14.7
126.97072	3.7
128.02312	1.2
128.98621	6.4
130.96533	4.9
133.01718	7.6
133.02522	0.8
134.99698	1.2
143.00201	1.5
144.98096	46.4
146.99655	3.4
148.97610	2.1
150.12769	6.6
158.99648	1.5
161.01236	3.1
161.94693	0.8
162.99152	27.1
163.00464	1.6
163.03961	1.0
163.44357	0.8
168.64723	0.8
174.12833	1.0
175.02690	1.0
179.94299	0.9
181.00201	4.2
183.04462	0.8
186.99120	7.3
190.15906	8.2
203.15436	1.6
205.00212	48.0
223.01265	47.6
241.02400	3.5
247.02081	1.7
247.08154	1.5
247.21756	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	246.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	4.5
57.07078	6.1
65.03915	1.4
67.05505	28.7
69.07056	4.8
70.06589	10.0
71.04993	76.8
71.60875	1.3
81.07056	1.0
83.04961	1.0
84.08167	2.3
85.02885	1.5
85.06530	8.6
88.07635	7.3
94.06568	2.4
95.04974	29.9
98.97568	1.5
99.04456	6.5
105.07039	1.1
112.07611	22.8
112.33961	1.0
113.06006	57.3
114.05536	3.8
116.07106	1.5
116.98679	1.3
117.05498	12.0
124.11233	1.7
134.08128	100.0
149.83490	1.1
162.09167	1.2
163.03839	1.5
172.07611	2.0
182.11769	15.0
184.13333	1.5
200.05428	1.1
200.07094	5.1
200.12852	1.0
228.06561	2.3
228.12311	14.9
246.07651	21.9
246.11215	1.9
246.13414	24.2
246.16010	0.9
246.18579	2.5
247.21657	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.076
Annotation	Delbine
Peak:m/z	Relative Intensity
55.01871	0.7
65.98441	0.2
69.03397	0.2
69.44648	0.7
69.45073	0.6
81.07045	0.2
85.02910	0.9
96.04517	0.2
98.20668	0.3
103.05490	0.4
104.04986	0.2
105.03366	0.2
105.06963	0.1
115.05436	0.3
116.04976	0.2
117.06993	0.2
120.55607	0.2
124.07583	0.3
129.07004	0.5
130.06519	0.5
131.04953	0.8
143.07384	0.2
144.08087	1.0
145.06450	0.4
146.05978	0.5
154.06522	1.7
155.04877	0.3
155.05994	0.3
156.08118	0.3
158.05977	0.5
162.05524	0.3
164.10701	0.4
170.06012	0.6
172.05173	0.3
172.07555	3.4
176.10759	0.3
182.06001	1.4
183.06654	0.2
186.05482	0.9
190.12183	0.2
199.06229	0.8
200.04448	0.2
200.05042	0.2
200.07089	3.4
202.08603	1.7
210.05608	0.3
218.05598	0.3
218.11700	0.2
228.06555	10.3
229.07039	0.2
246.07617	100.0
247.07986	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0757
Annotation	Heliparvifoline
Peak:m/z	Relative Intensity
55.01675	0.1
55.01879	0.6
56.96560	0.1
65.03949	0.2
68.05025	0.1
71.31016	0.2
91.05466	0.2
95.71072	0.1
96.04490	0.1
100.93556	0.1
103.05470	0.3
115.05450	0.4
117.07030	0.2
120.04470	0.2
125.04751	0.1
126.05517	0.3
129.03418	0.1
129.04482	0.1
129.07010	0.4
130.02902	0.2
130.06531	0.5
130.07347	0.1
131.04935	1.0
142.04987	0.2
143.07304	0.1
144.04428	0.1
144.08093	1.2
145.06509	0.3
146.06023	0.5
154.06519	1.7
155.04922	0.5
155.06097	0.2
156.08076	0.5
158.05989	0.5
162.05507	0.3
168.99522	0.1
170.06020	0.6
172.07582	3.3
182.06023	2.0
183.06717	0.1
184.07555	0.1
185.04640	0.1
186.05518	1.2
198.05472	0.2
199.06288	1.0
200.07079	3.6
202.08650	2.0
204.06447	0.1
210.05573	0.3
215.62242	0.1
216.06413	0.2
218.08208	0.1
218.11661	0.1
228.06563	10.7
229.06947	0.1
246.07626	100.0
247.02602	0.1
247.07983	1.5
247.10556	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78506	0.4
55.05497	0.5
56.05013	0.5
56.96547	0.5
67.05489	0.6
70.89843	0.5
71.04966	0.7
71.60876	0.4
81.05788	0.7
81.07056	1.0
84.04475	1.2
84.08119	0.8
85.02905	2.9
85.06519	1.9
86.98974	0.6
95.08553	0.4
96.08118	2.6
105.00047	0.6
109.00890	0.5
114.92586	0.4
117.04491	1.2
124.07590	13.1
124.11215	0.5
129.04451	1.6
135.05548	4.8
140.10684	0.8
142.06502	0.6
144.04509	0.8
144.05574	8.8
144.08052	0.6
145.03970	1.7
153.01810	0.8
156.08429	0.8
157.04024	1.1
158.04745	0.7
163.05031	0.7
168.10226	2.6
172.05058	99.5
173.03455	5.8
173.05629	0.6
175.05013	0.8
186.05472	3.0
190.06117	2.7
200.04550	41.6
200.07010	2.5
201.04860	0.6
203.11792	0.5
214.10788	1.6
216.06592	1.4
218.05609	86.1
219.05844	0.8
228.06743	1.5
246.05142	100.0
246.07616	13.1
247.02632	0.8
247.05547	1.3
253.40814	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0583
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08154	18.8
69.03458	15.2
70.06567	10.9
71.60286	12.0
72.08141	11.0
73.79860	10.7
77.52066	7.7
81.03441	7.5
84.08157	11.4
85.02939	10.4
95.14322	8.7
98.03529	9.9
99.21391	9.1
124.11241	10.2
126.02485	37.6
141.04802	100.0
153.05766	22.1
163.07085	18.2
166.06082	9.2
175.61861	9.2
185.02898	9.3
200.12126	31.6
244.05896	59.5
244.11531	13.2
244.20090	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	245.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85894	1.2
55.05515	8.7
56.57820	1.1
57.07056	2.8
58.96965	1.3
65.68562	1.2
67.05505	12.0
69.07072	19.6
74.75066	1.1
79.05505	8.5
81.07064	31.9
83.08616	7.3
91.05475	7.0
93.07054	27.2
95.08615	41.0
97.10188	5.9
98.21513	2.9
103.21822	1.1
104.72443	1.2
105.07052	16.5
107.08608	28.5
109.10163	21.7
117.06987	1.5
119.08597	19.8
121.09301	1.9
121.10151	29.4
123.11707	15.6
131.08545	2.3
133.10141	11.6
135.11699	16.0
137.13275	8.3
145.10136	1.5
147.11717	10.3
148.26346	1.1
149.13272	67.5
151.14848	1.8
161.13277	8.6
163.14812	11.0
175.14839	28.9
189.16396	18.8
200.14400	1.5
203.18013	6.6
245.15358	2.9
245.22646	100.0
246.22952	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03968	0.8
55.01903	1.9
55.93544	0.7
56.05071	2.8
56.96563	8.3
57.03466	2.5
58.06627	2.0
60.04524	8.6
60.08192	1.1
61.02950	1.8
65.03961	0.9
67.05522	1.1
68.05025	7.3
69.03426	5.0
69.05837	1.2
69.07100	0.9
69.48952	4.9
70.06596	6.8
71.01393	0.9
71.05007	1.2
71.30920	0.6
72.08183	1.2
72.93788	0.9
73.02953	1.8
78.81799	0.7
79.01885	1.0
79.05522	0.8
81.03445	2.7
81.04577	1.9
82.06611	2.3
83.01379	0.8
83.04975	0.7
84.01604	0.7
84.04536	1.8
84.08141	5.8
84.96069	2.4
85.02911	6.8
85.06595	1.2
85.08520	1.2
86.06102	1.8
86.09731	1.3
86.16396	0.7
87.04485	1.5
88.03994	19.1
88.04508	1.1
91.05493	1.2
94.06602	1.2
95.04995	1.1
96.04546	0.7
96.08141	0.7
97.02890	5.4
97.07645	7.3
98.21481	0.9
98.97589	8.6
99.04490	1.2
100.07632	1.4
101.00926	2.0
102.05584	1.6
103.02468	1.1
105.70590	0.6
108.08200	1.1
109.02915	0.9
110.07225	1.2
110.09692	0.8
110.97588	1.2
111.04480	0.8
112.03886	0.7
112.07606	6.7
112.99171	0.8
113.00871	1.4
113.03546	0.8
115.02404	1.1
116.07095	0.8
116.98593	4.0
117.04015	1.0
119.01893	4.9
120.02031	1.0
121.01685	0.8
121.69666	0.7
122.06069	1.4
123.08091	0.8
123.09231	2.6
124.07617	2.4
124.11237	1.3
125.07110	7.7
126.02501	2.4
127.03952	2.7
128.04510	0.8
128.07130	1.6
128.98613	1.0
130.08662	0.9
131.00317	0.9
131.01907	5.1
133.03488	1.1
134.99693	1.5
135.08064	0.7
136.93224	0.8
137.03000	0.8
140.07066	18.7
141.04799	3.6
141.10255	2.9
142.08641	3.9
143.00179	1.5
143.08109	3.2
145.03442	1.7
147.01410	1.0
151.08659	8.6
152.07010	0.7
153.01862	5.1
153.11029	0.8
155.00151	1.6
155.07083	0.9
157.03479	3.0
158.97224	0.9
158.99593	0.7
159.03226	0.8
159.07693	2.5
161.01201	1.0
161.02940	1.8
164.07069	1.7
165.05467	0.8
165.07487	1.0
166.07642	2.3
167.12679	0.8
169.09727	100.0
170.99655	1.5
171.05138	1.3
171.07658	16.9
172.95262	2.1
173.01208	2.0
173.02866	1.1
175.04520	1.4
177.00677	0.9
178.04941	2.1
179.02254	1.0
182.99721	1.2
183.01335	0.9
185.02840	1.2
186.02170	0.9
189.00731	1.7
191.02254	0.8
191.03827	0.7
192.04500	1.3
196.09842	0.8
197.04004	1.6
197.09201	86.1
199.04488	0.9
200.12125	1.4
200.98611	0.8
201.00674	2.5
201.02414	1.2
202.02632	1.0
203.03978	1.4
215.10280	49.6
218.99658	0.9
219.01735	4.5
221.05121	1.5
223.06511	1.4
225.06361	0.9
225.08701	9.8
225.13120	1.7
225.16721	1.1
237.02773	1.3
239.04356	1.4
239.14059	0.7
243.04047	2.3
243.07568	5.7
243.09718	28.0
243.13689	5.4
243.16042	2.3
243.17892	3.1
244.06052	4.7
261.08163	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0864
Annotation	2,3-Dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-1-propanone
Peak:m/z	Relative Intensity
53.03941	3.7
55.01863	2.8
56.96567	2.6
61.02927	9.3
65.03941	7.0
66.25059	1.1
67.05506	4.6
69.03428	3.6
69.07056	1.6
70.06596	1.8
71.04983	1.5
71.52514	2.5
79.05479	4.7
80.99680	1.3
81.03403	1.6
81.07064	6.1
82.04179	3.8
85.02912	5.0
91.05487	17.9
93.03401	2.0
94.04224	1.6
95.04971	15.1
97.02904	4.6
97.06528	1.7
98.97581	3.9
100.14249	1.1
105.03373	4.2
107.04949	8.5
109.02877	2.0
109.06512	12.9
110.03657	5.0
111.04411	2.1
116.98606	1.7
119.04993	6.0
121.06510	1.4
121.58815	1.1
122.03631	1.5
122.66871	1.2
123.04428	13.6
125.02365	7.7
125.06004	3.5
133.02844	10.1
135.04416	4.1
137.05972	20.5
140.04691	100.0
142.02609	2.0
147.04407	7.2
152.04718	2.5
153.01842	3.2
153.05495	4.3
155.07036	76.9
158.99728	1.8
163.03915	2.7
165.01915	1.8
165.05507	17.2
167.07083	2.8
171.06517	3.7
173.08096	4.0
179.07036	10.8
180.04178	16.6
181.04967	67.1
182.65817	1.2
183.06561	2.9
184.03658	1.8
192.04092	1.5
193.04977	24.7
195.06499	12.5
197.08049	6.9
207.06532	21.0
219.01820	1.4
222.04611	2.0
225.07588	18.8
231.05293	6.0
243.08592	11.9
243.10936	1.8
243.18475	1.9
254.01031	1.2
264.74234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0201
Annotation	Unknow
Peak:m/z	Relative Intensity
70.60043	6.2
70.60397	4.6
73.02911	2.8
81.03406	2.7
98.20841	2.6
98.97572	8.1
98.98473	6.0
101.00862	9.9
109.02868	2.7
109.09975	2.7
116.98614	6.2
117.51891	2.7
119.01894	14.2
134.99734	3.3
138.39705	2.5
138.96371	4.4
140.96147	3.9
147.96959	12.8
156.97470	18.3
158.97212	22.5
158.99945	2.8
159.96945	5.0
161.99648	3.0
168.97462	27.0
174.97455	5.4
176.96489	19.7
176.98296	10.8
177.00912	16.4
177.46547	8.2
177.96461	4.6
177.97990	6.3
179.46661	2.9
180.97523	11.8
183.97969	5.3
185.97003	17.8
186.47034	5.8
188.47351	12.1
189.47224	5.1
189.97990	16.4
196.94391	4.2
197.02814	2.8
197.47809	9.7
198.98546	3.2
200.98224	6.3
201.00900	4.0
201.98061	7.7
207.94287	22.6
208.44321	9.2
208.94127	6.5
210.98605	12.3
211.48811	2.9
214.96443	32.2
215.01649	2.6
216.94812	31.9
217.03990	3.5
217.44862	14.1
217.94722	8.4
218.97554	3.0
218.99429	7.6
219.02003	33.2
219.45061	11.9
219.99062	17.1
220.02161	3.5
225.01093	3.4
225.95258	9.1
228.45544	24.5
228.95531	10.0
228.99640	5.1
229.45390	7.4
232.96838	3.0
237.45912	13.4
237.97874	9.5
238.45903	5.2
239.96272	3.2
243.01935	14.6
261.00238	4.9
261.03067	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.9903
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34631	11.5
56.96548	43.6
57.03425	22.3
61.02924	19.6
69.03423	49.6
70.06575	42.2
70.83790	29.9
71.04967	12.6
72.08124	11.2
72.82216	10.9
73.02922	23.8
81.03429	26.0
83.04982	14.8
84.04452	10.8
84.08130	38.9
85.02913	100.0
85.06507	32.6
85.94580	10.7
86.03220	12.6
90.07214	11.4
97.02895	77.3
97.61436	10.7
99.04431	17.3
101.00848	18.1
109.02879	15.9
110.07146	19.3
119.01894	25.1
126.09149	33.1
127.03914	19.1
131.01849	11.6
133.03435	35.7
141.04819	20.1
145.03377	12.8
146.05040	18.3
146.55046	17.2
147.05035	41.7
148.05066	18.9
151.09557	11.9
153.05769	23.1
155.05533	19.0
155.55627	20.2
157.03398	17.1
161.03104	21.2
161.05571	32.8
161.55598	55.0
162.05325	23.3
166.07565	13.9
169.09744	20.7
170.06143	15.5
170.56184	26.2
189.05978	22.8
195.98996	11.7
197.09419	16.4
223.06958	11.7
225.13124	16.6
237.54140	12.1
242.15848	22.3
243.04692	44.8
243.07359	21.6
243.09933	23.0
243.13939	39.9
243.16151	20.3
244.05835	14.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22931	0.2
50.65187	0.2
55.05510	1.1
56.05037	4.6
58.06602	0.4
62.68398	0.2
67.05504	6.0
69.07065	0.3
70.06591	2.7
70.67722	0.8
71.08622	1.7
71.32300	0.2
72.08162	0.3
75.61724	0.2
81.07059	0.9
82.06580	0.3
83.08619	0.3
84.08144	100.0
85.08472	0.3
88.89293	0.2
96.08044	0.2
97.08922	1.1
98.09697	4.2
99.08096	0.8
109.10143	2.0
112.64034	0.2
116.74646	0.2
124.11213	0.3
126.12791	76.6
127.13124	0.8
144.13835	6.9
182.15335	0.3
192.78503	0.3
224.20049	0.7
225.80510	0.2
242.21147	51.7
243.21509	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	8.6
56.96564	33.4
57.03424	9.3
61.02927	6.2
67.05497	4.2
68.05034	4.1
69.03426	9.6
69.07064	5.7
70.06591	6.9
71.04998	5.2
71.60085	4.1
72.08155	4.2
73.02914	26.9
74.06093	15.9
79.05515	4.8
81.03411	8.8
81.07032	3.2
82.06588	5.9
83.06123	6.4
84.04528	4.0
84.08141	4.4
84.96018	6.7
85.02919	27.3
86.09695	5.6
89.00732	5.3
91.05486	4.1
95.00774	4.0
95.06081	3.0
96.08152	6.2
97.02893	11.9
98.01266	5.7
98.97588	100.0
99.04460	3.9
101.00774	5.3
104.01305	3.7
108.01513	3.6
109.02863	4.4
110.01285	17.6
110.06039	14.8
110.07172	6.5
110.97568	38.0
116.98634	47.5
117.02068	4.7
119.01813	14.0
122.01245	4.3
127.03973	14.8
128.02306	7.4
128.98627	28.2
131.00209	5.0
131.01785	11.5
134.02396	3.3
134.99649	7.9
136.07558	5.0
140.02292	26.1
140.98657	4.2
143.00179	11.2
143.01851	5.5
146.02315	10.5
146.99643	13.7
148.82776	3.8
149.02873	4.0
150.09116	4.1
152.02319	13.5
152.07109	6.6
153.01843	8.0
155.02782	5.3
157.07666	6.9
158.99628	26.2
161.01210	11.7
161.02847	29.2
161.04706	8.4
161.06352	3.2
164.07097	6.2
164.10751	7.1
165.07431	12.0
167.04601	3.1
170.03455	15.6
170.99611	15.6
173.01276	5.3
173.02786	7.5
176.05212	4.3
177.00749	18.6
178.08542	4.4
181.13280	5.0
182.03372	20.2
182.04916	4.9
182.99626	11.3
189.00653	17.0
190.09792	5.6
191.03900	19.7
191.05717	17.8
196.09642	18.5
201.00705	30.3
203.05676	3.5
212.06207	18.1
212.56351	4.0
218.98192	4.9
219.01787	60.5
224.12849	7.5
231.01741	5.1
237.02821	59.8
242.10316	47.8
242.13622	19.6
242.17552	6.7
243.01808	5.7
261.02826	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1434
Annotation	(+)-7alpha,8alpha-Epoxyblumenol B
Peak:m/z	Relative Intensity
53.03957	1.2
54.49315	0.9
55.01875	1.5
55.05508	7.6
56.96557	2.1
57.03427	1.7
57.07068	2.2
65.03938	2.2
67.05163	2.3
67.05505	35.5
69.03437	6.4
69.07066	7.2
71.04982	4.7
71.50542	1.1
71.50883	1.7
79.05497	6.8
81.03418	1.9
81.07055	11.0
83.04976	4.8
83.08634	8.2
85.02906	81.4
85.06126	1.3
85.06548	15.6
91.05454	4.1
93.07050	7.5
95.04977	7.4
95.08611	10.2
97.02873	2.1
97.06532	12.0
98.97578	4.3
99.04449	6.0
99.08105	7.7
105.07043	3.1
107.04938	1.5
107.08616	7.5
109.06505	2.8
109.10158	100.0
111.04430	1.4
111.08076	7.2
113.05972	1.1
113.09654	5.6
115.05434	1.0
116.98640	1.9
119.08562	3.6
121.06496	5.3
121.10155	8.0
123.04416	2.7
123.08064	4.6
125.05999	4.0
125.09643	4.1
127.03919	2.5
127.11145	1.2
131.08582	2.0
133.10139	1.6
135.08086	5.2
135.11678	3.6
137.09616	4.8
139.07547	11.4
139.11200	7.7
140.74515	0.9
141.05418	1.2
143.08531	1.2
145.10117	2.7
147.11668	1.5
147.30931	1.2
149.13274	1.2
153.01869	2.5
153.09116	7.7
157.12209	5.2
158.99678	1.8
159.11757	1.9
161.02888	1.5
163.07520	3.3
163.11203	6.5
165.09120	3.3
167.07091	1.8
177.12785	2.7
181.08617	18.5
181.12221	12.8
183.10168	2.7
187.14745	1.2
195.13737	1.8
205.12265	8.0
207.07848	2.6
221.07510	2.6
223.11099	1.8
223.13281	25.9
223.16852	1.7
241.04964	1.5
241.08859	1.4
241.14372	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	241.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03965	0.3
55.01864	0.5
55.05514	1.3
55.98443	0.2
56.96568	3.1
57.03424	1.0
58.06601	6.0
59.05001	0.2
61.02927	1.3
61.67040	0.2
67.05495	0.4
69.03436	2.7
69.07069	0.2
70.06596	1.5
70.98134	0.2
71.04996	1.1
71.60900	0.3
72.08138	0.3
72.59182	0.2
73.02923	1.2
75.01036	0.3
75.04498	0.2
81.03435	1.1
83.04993	0.5
84.04535	0.2
84.08143	3.4
84.96029	0.5
85.02909	4.0
85.06551	1.3
86.03238	0.4
87.04494	0.5
97.02341	0.4
97.02898	3.3
98.09679	0.5
98.97588	3.8
99.04454	0.7
101.00881	0.9
103.00573	0.2
103.07552	0.2
105.02113	0.2
106.06519	0.3
108.08141	1.1
109.02886	0.7
110.01276	0.3
110.06051	0.3
110.07206	0.2
110.97585	0.8
111.02028	0.3
112.99142	2.7
113.00864	0.2
113.02380	0.4
113.35133	0.2
114.05569	0.2
115.02433	0.3
116.00237	0.2
116.04046	0.2
116.07047	0.3
116.98641	1.3
117.02082	0.3
117.04014	0.4
119.01900	1.4
122.06069	0.3
123.02979	0.3
123.06806	0.3
124.07575	0.5
124.11170	0.2
124.99171	0.2
126.05562	0.3
127.00651	0.3
127.02342	0.2
127.03913	2.0
128.02292	0.3
128.10725	1.3
128.98642	0.7
129.03978	0.3
130.08646	0.3
130.87973	0.2
131.00198	2.1
131.01846	0.3
133.01723	0.3
133.03447	0.7
134.06013	6.7
136.06218	1.3
136.07582	5.6
137.06606	1.1
138.02521	0.3
138.05258	1.2
140.02428	0.3
140.07088	0.6
140.98592	0.2
143.00137	0.6
143.01894	1.3
144.10184	0.4
144.98112	0.4
145.01648	0.6
145.03442	0.6
145.05013	0.7
146.05020	0.5
146.06038	0.4
146.55110	0.5
147.03090	2.9
147.05823	1.8
147.06821	0.5
148.03877	1.1
149.01199	0.8
150.05487	0.4
151.05873	0.4
152.07080	3.9
153.05766	0.3
154.03827	1.0
154.04878	0.4
154.08636	0.5
155.01942	0.3
156.03595	0.9
156.97522	0.6
157.03435	0.5
158.99631	0.3
160.03798	0.5
161.01280	0.4
161.02957	1.4
161.04424	0.4
161.05641	0.4
163.04445	0.7
163.08682	2.6
164.07068	100.0
165.00806	0.3
165.07391	1.0
168.03699	0.3
168.10220	0.4
169.04323	0.9
170.05014	0.5
170.99692	0.3
171.05025	0.3
173.01186	0.4
173.02881	0.3
173.06589	0.3
174.04491	0.2
174.07948	0.3
175.02699	0.6
175.04506	0.4
176.03398	0.2
177.00822	0.3
177.04187	0.3
177.11160	0.3
178.04982	0.4
181.09720	5.6
182.08133	1.3
185.02895	0.2
187.02809	0.3
189.00690	0.5
189.04169	0.3
190.07416	0.5
195.08554	0.3
196.09694	2.3
201.00623	0.4
203.04022	0.4
205.00259	0.4
206.08076	0.4
216.99954	0.5
219.01768	1.1
221.05173	0.3
223.06560	0.3
223.10783	7.8
224.09184	0.3
225.03503	0.3
237.02763	1.3
241.08842	0.6
241.11572	5.9
241.15465	37.9
242.13737	0.5
259.06671	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	2.1
55.11570	0.5
55.43080	0.5
56.05036	3.1
67.05505	6.4
69.07067	7.6
70.06599	3.1
70.08720	1.0
70.09106	1.2
71.04983	0.6
81.07055	2.2
82.06573	1.2
84.08146	100.0
91.05519	0.5
93.80690	0.4
95.08640	0.6
96.08114	0.6
97.08929	0.9
98.09702	3.8
106.72530	0.5
107.08584	0.5
109.10167	2.0
124.11236	2.4
126.12798	85.7
127.13128	0.8
144.13840	5.5
156.82356	0.5
163.07018	0.5
202.79114	0.5
210.02226	0.5
222.18517	0.7
240.19591	41.4
241.19876	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59172	0.3
55.01876	2.7
55.05510	1.2
56.05040	3.8
56.96567	0.9
57.03419	0.6
57.07072	0.6
57.41183	0.3
58.06608	0.5
60.25659	0.4
61.80249	0.4
67.05500	5.1
69.03420	0.4
69.07072	1.0
70.06596	2.4
71.15179	0.4
71.15491	0.5
72.23923	0.4
73.02928	0.4
77.85268	0.4
79.05518	0.4
81.03443	0.5
81.07056	1.7
83.08619	0.5
84.08144	100.0
85.08475	0.5
93.07044	0.5
93.11558	0.3
95.08641	0.6
97.02873	0.6
97.06544	1.9
97.08936	1.0
98.09692	3.6
98.97579	1.2
107.08577	0.5
109.10169	1.9
115.07581	0.7
116.98581	0.4
119.08556	0.4
126.12794	77.0
127.13160	0.7
144.13844	2.0
147.04381	0.5
162.71913	0.3
195.36458	0.4
222.18504	0.5
240.14642	1.1
240.19586	45.0
241.19952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.6
55.01860	0.5
55.05514	2.0
56.05034	3.6
56.96561	1.2
57.07077	1.0
58.06584	0.5
61.91376	0.4
61.98426	0.4
67.05505	5.7
69.03441	0.5
69.07068	4.7
70.06589	2.8
71.05315	0.8
72.08163	0.5
76.67922	0.4
77.14091	0.4
79.05485	0.8
81.03438	0.5
81.07070	2.0
84.08144	100.0
85.08469	0.5
90.36626	0.4
93.07050	0.7
95.08606	0.8
97.08892	1.2
98.09684	3.4
98.97599	2.3
105.07027	0.9
109.10159	2.4
116.98632	0.9
120.08882	0.5
124.11217	0.5
126.12794	78.6
127.03967	0.4
144.13846	3.6
158.99675	0.5
175.20686	0.4
177.00772	0.5
191.03812	0.4
203.70705	0.4
219.01811	0.5
222.18498	0.4
228.45306	0.4
234.89806	0.5
240.09171	0.5
240.19580	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	239.149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19910	0.8
54.04238	0.8
55.49792	0.7
67.05498	1.5
70.19776	3.4
81.03399	2.5
81.07056	1.5
84.08150	2.6
87.04479	1.8
89.06034	100.0
91.05444	0.8
93.07034	0.8
95.02450	1.3
95.08611	1.7
107.07058	1.5
113.03497	2.2
133.08611	33.0
147.74925	0.8
151.09637	3.4
177.11227	2.9
185.55614	0.9
189.47873	0.8
195.12338	1.5
239.08876	10.9
239.14859	5.7
239.17558	4.3
254.93124	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89975	1.3
51.95950	1.2
52.07232	1.7
52.56719	1.1
57.03454	1.2
64.94830	1.2
70.13475	5.6
82.85899	1.1
138.96414	16.0
156.97488	100.0
174.98549	49.7
176.96339	3.1
179.99069	5.0
180.97414	2.2
198.00179	6.4
198.98544	51.6
207.94240	2.6
208.44316	1.8
216.01331	1.6
216.93037	1.4
216.94786	5.7
216.96359	3.8
216.99597	66.3
222.00211	3.2
223.04713	1.2
228.45517	3.9
237.46199	1.9
239.97873	3.2
240.01161	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	238.126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.05021	0.6
56.17678	0.3
56.96546	0.6
60.92963	0.3
67.05492	1.0
69.03438	0.3
69.07060	0.6
69.52695	1.3
69.53123	0.9
70.06577	0.5
75.31894	0.3
77.60453	0.4
79.05470	0.4
81.07058	0.7
84.08143	8.0
91.05490	0.4
93.07027	0.7
95.08596	0.5
98.09700	0.4
98.21391	0.7
98.97588	0.5
100.02210	2.8
105.07023	0.9
111.02637	0.3
117.06998	0.3
120.08096	0.3
121.10123	1.2
123.08082	0.5
126.03756	0.5
126.12802	7.5
128.79631	0.3
137.04173	0.4
138.03685	0.4
140.05284	0.6
145.10101	0.4
148.11290	0.3
149.61133	0.3
153.06036	0.5
154.06863	0.7
157.37952	0.3
161.08371	0.3
164.05286	0.6
164.10687	0.4
172.11246	0.3
172.95210	0.3
176.10719	1.9
178.06847	1.2
178.12186	0.3
179.07628	0.6
180.08348	0.4
190.06775	0.3
190.12245	0.7
194.09966	1.6
204.08340	0.6
206.09995	3.9
208.07886	1.2
220.11586	4.9
223.10265	2.6
228.62318	0.3
232.43846	0.3
238.12584	100.0
239.08951	1.1
239.12805	0.8
257.11005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1851
Annotation	3,7,11-Trimethyl-1,4,6,10-dodecatetraene-3,8-diol
Peak:m/z	Relative Intensity
53.03949	4.3
55.01870	4.2
55.05511	24.0
56.96559	5.2
57.03430	4.9
57.07064	7.7
59.04998	5.2
65.03925	3.2
67.05507	38.9
69.03432	15.4
69.06773	2.1
69.07080	26.0
69.59148	4.0
69.59554	12.7
71.05002	30.7
71.08637	2.6
72.64166	2.0
73.06565	1.9
79.05498	29.2
81.03407	3.2
81.07063	100.0
83.04962	7.1
83.08630	10.8
84.08143	8.6
85.02906	4.9
85.06541	9.5
89.68968	2.3
91.05482	22.4
93.07060	33.9
95.04974	10.2
95.08611	37.7
97.02864	3.7
97.06525	14.5
97.10155	6.5
98.97584	16.6
99.08105	37.7
103.05479	2.4
105.07047	32.4
107.04951	2.7
107.08607	36.0
109.06528	19.9
109.09443	4.3
109.10166	61.6
111.08098	12.3
115.05466	2.1
116.98616	4.5
117.07014	5.3
119.08588	21.2
121.06504	5.3
121.10144	30.0
123.08070	41.0
123.11723	12.6
125.09618	8.9
126.12804	6.3
127.07559	20.1
127.11202	18.7
129.07018	3.0
131.08574	12.3
133.10141	36.2
135.08037	7.0
135.11679	14.0
137.09625	37.8
138.10414	39.9
139.11133	6.9
145.10124	17.0
147.04329	2.1
147.11717	15.2
149.09616	6.8
149.13251	12.1
151.11177	35.4
151.12325	2.9
155.10611	6.1
155.34682	2.2
158.99591	3.1
159.08138	2.6
159.11696	12.1
161.09642	3.5
161.13261	9.5
163.03937	3.9
163.07524	3.5
163.11212	9.1
163.14880	3.3
165.06842	2.9
165.12675	3.0
169.12262	4.9
171.06842	2.6
173.13274	7.7
175.14799	3.3
177.00699	4.2
177.12791	4.8
177.16426	4.7
179.10574	2.1
179.14227	3.8
191.03452	4.8
191.14294	8.8
195.11743	3.5
201.12813	2.7
201.16405	8.2
219.13914	11.7
219.17450	27.2
219.20883	3.1
237.07405	3.6
237.11087	5.3
237.14743	24.4
237.18481	28.3
237.22017	6.4
237.85738	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	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03931	1.2
55.01874	5.6
55.05506	4.6
56.96561	0.8
57.03436	1.5
57.07060	1.8
57.69959	0.7
59.05002	0.9
65.03915	1.2
67.05502	7.6
67.82333	0.8
69.03421	1.8
69.07071	8.5
70.38344	1.4
70.38707	1.8
71.04980	3.3
79.05054	0.9
79.05490	16.2
80.29040	0.7
81.07054	11.2
83.04949	2.4
83.08603	2.2
84.08122	2.4
85.02915	1.3
85.06535	1.5
91.04964	0.9
91.05486	14.7
93.07047	32.6
95.04988	3.8
95.08617	8.4
97.06524	2.6
97.10184	1.2
98.97565	2.9
99.04482	1.1
99.08067	1.2
103.05458	2.1
105.07023	12.8
107.04959	5.3
107.08595	25.2
109.06506	6.1
109.10155	4.9
111.08066	2.1
113.05972	1.2
115.05444	3.1
116.98604	0.8
117.07032	19.5
119.08578	12.5
121.06503	18.9
121.10156	6.2
123.08065	5.1
123.11683	2.4
125.06010	1.0
125.09626	1.7
126.12775	2.6
129.06995	1.1
131.04922	1.0
131.08586	9.4
133.06519	1.3
133.10141	7.3
134.10428	0.9
135.08058	33.5
135.11667	6.6
136.08742	1.0
137.09581	3.2
137.13246	1.0
139.07568	4.2
143.08502	1.8
145.06468	5.0
145.10123	4.4
147.08038	2.2
147.11638	1.4
149.02368	5.0
149.09622	9.4
149.13269	5.0
151.07542	1.7
153.09077	2.9
155.08577	1.1
157.10120	3.0
159.08049	2.6
159.11685	14.1
161.09644	6.7
163.03952	1.2
163.07558	12.3
163.11191	1.6
163.14799	1.3
169.08582	3.9
173.13240	4.9
175.11186	1.0
177.09167	5.7
177.12743	14.5
178.69522	0.7
179.10680	5.9
179.46632	0.8
181.08606	19.4
181.10170	1.6
183.11690	8.1
191.10567	1.1
191.14279	2.8
193.05009	4.3
195.10136	7.6
195.11691	1.2
195.13771	1.1
201.12752	8.3
207.06592	0.9
207.11792	1.2
219.10249	1.6
219.13821	14.0
219.17407	2.1
233.15125	0.7
237.03859	1.6
237.07501	5.7
237.14839	100.0
237.22000	2.5
238.14748	0.9
246.63277	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.2056
Annotation	Callicarpenal
Peak:m/z	Relative Intensity
55.05508	25.3
57.03428	13.5
57.07078	56.1
60.42150	4.2
67.05502	33.4
69.07066	25.0
70.94574	4.0
71.04972	8.8
71.61578	7.4
72.79919	3.8
79.05494	18.9
81.07061	58.7
81.70123	4.2
82.30317	3.6
83.04958	5.9
83.08611	13.2
85.06552	4.5
91.05479	21.7
93.07061	41.3
95.04947	5.4
95.08611	89.5
97.06542	5.7
97.10178	14.1
105.07039	52.6
107.08599	61.4
109.06529	10.0
109.10165	100.0
111.08076	12.1
112.33386	4.0
119.08584	57.5
121.10163	48.3
123.04390	5.9
123.08097	4.2
123.11727	39.3
125.09616	15.6
133.10121	45.9
135.11729	25.5
137.13287	10.1
139.11221	8.6
147.11703	54.8
149.13258	13.8
159.11746	3.9
161.13248	40.9
163.14848	16.5
164.25290	4.2
165.12717	7.1
173.48900	3.8
175.14867	18.7
177.16399	27.0
179.10695	23.6
189.16408	14.2
191.17902	9.8
193.12120	4.7
205.19592	5.4
217.19527	97.0
220.12601	4.2
235.13167	5.9
235.14828	6.4
235.16937	96.7
235.20525	89.0
235.22728	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	235.1693
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
51.12909	1.7
53.03934	2.0
55.01861	2.9
55.05513	9.7
56.20287	1.7
56.96570	13.5
57.03431	3.0
57.07078	35.0
59.04986	2.4
61.96458	1.6
65.03928	2.1
67.05211	1.7
67.05506	20.0
69.03439	8.2
69.07070	16.1
69.21153	1.4
70.02773	1.6
71.04980	5.7
79.05494	16.5
79.24657	1.6
81.03407	4.0
81.07060	26.0
83.04947	2.0
83.08611	6.0
85.02902	3.9
85.06540	4.0
91.05492	16.8
93.07043	24.4
95.04983	10.2
95.08608	25.9
97.02880	5.1
97.06518	5.8
98.21483	5.4
98.97588	18.4
99.04443	2.7
99.08097	2.9
105.03413	2.8
105.07028	28.5
107.04947	2.6
107.08592	24.2
109.06490	8.2
109.10149	16.6
111.08084	4.5
112.99122	6.8
113.09742	1.7
115.05473	4.6
116.98658	9.4
117.06995	7.2
119.08588	29.3
121.06494	4.3
121.10139	16.9
123.04442	2.8
123.08039	5.3
123.11659	4.0
125.05924	1.9
125.09599	4.9
127.11170	1.6
128.21400	1.5
128.98604	2.1
129.06996	4.5
131.00188	4.1
131.08589	8.2
133.06509	4.6
133.10133	26.4
134.99637	4.0
135.08055	5.8
135.11684	13.7
137.09618	7.6
142.07774	2.3
143.08543	5.0
143.17839	1.6
145.06490	3.9
145.10080	6.9
147.04361	1.7
147.08081	5.9
147.11703	12.6
149.01244	2.7
149.09604	4.9
149.13245	5.3
151.03856	2.2
151.07545	3.6
156.09387	2.8
157.10083	6.6
158.03946	1.8
158.99611	5.0
159.07925	2.3
159.11700	6.3
161.06023	3.1
161.09608	11.0
161.13260	6.5
162.03581	2.8
163.07504	2.3
163.11186	5.0
165.09190	2.7
171.08037	1.7
171.11700	5.0
173.05948	3.1
173.13243	5.0
175.07533	5.2
175.11206	7.2
175.14845	17.0
177.00822	3.7
177.12747	4.1
179.08615	1.8
179.10695	23.9
189.05588	2.2
189.09117	2.7
189.12726	4.0
189.16403	11.0
190.06349	2.5
191.07104	1.7
191.14333	2.1
192.81076	1.7
193.12202	2.8
199.11142	2.1
199.14708	2.8
203.07092	2.4
207.10188	3.2
214.08412	1.9
214.10269	2.2
215.09314	3.7
217.05121	2.0
217.08664	3.6
217.12238	6.4
217.15858	10.8
217.19527	6.6
219.01749	1.8
223.09088	6.0
225.10872	1.9
235.02385	3.9
235.05846	3.8
235.09523	7.9
235.13521	9.5
235.16934	100.0
235.20447	14.3
236.12701	2.2
237.02812	1.8
255.42189	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1329
Annotation	Isorupestonic acid
Peak:m/z	Relative Intensity
53.03944	8.1
55.01861	3.5
55.05503	11.7
56.96556	3.4
57.07075	11.7
59.04984	4.2
65.03929	3.2
67.05508	19.5
67.71449	1.1
69.03432	24.7
69.07073	11.4
70.71249	3.5
71.04986	4.2
77.03921	2.6
79.05494	23.7
81.03410	3.9
81.07058	23.9
83.01314	2.3
83.04985	21.6
83.08633	3.5
85.02896	1.4
85.06538	3.4
91.05479	22.3
93.07038	20.8
95.04953	11.5
95.08601	17.8
97.02888	2.4
97.06532	3.9
98.97584	8.2
99.04437	3.8
103.05460	4.8
105.03412	1.4
105.04523	1.3
105.07031	50.6
107.04942	9.7
107.08587	22.0
109.02877	3.7
109.06513	11.5
109.10153	9.4
111.04426	3.8
112.99139	1.5
115.05453	4.0
115.46305	1.2
116.98616	2.4
117.07013	6.2
119.04932	1.7
119.07770	2.8
119.08579	35.0
121.06513	12.8
121.10133	11.7
122.07323	1.8
123.04398	3.7
123.08063	6.9
123.11695	2.8
125.05996	78.9
128.06218	4.3
129.06979	7.3
131.08574	11.1
132.05684	1.2
133.02835	4.7
133.06491	29.8
133.07523	1.5
133.10121	17.2
135.08043	7.6
135.11696	5.5
136.08791	5.9
137.06015	3.0
137.09618	14.5
139.07532	5.3
141.06943	3.9
142.07784	6.3
143.08543	9.8
145.06470	5.9
145.10135	6.8
147.08047	20.0
147.11682	23.0
149.09583	6.4
149.13315	3.0
151.03908	47.9
151.07515	4.7
151.11118	1.8
156.09337	16.1
157.06415	2.9
157.07629	1.5
157.10136	10.1
158.10954	1.7
158.99673	3.2
159.08057	14.4
159.11694	4.3
160.08849	5.5
161.05992	13.5
161.09628	8.1
161.13242	15.9
162.06688	2.3
163.07455	1.3
163.11206	1.3
165.05479	9.7
165.09142	2.0
166.07733	1.3
171.11700	22.6
173.09621	5.3
173.13197	3.1
174.10381	6.0
175.07587	14.4
175.11180	41.7
175.14832	4.0
177.09129	4.3
179.03389	1.5
179.07068	6.7
179.10683	8.8
181.10191	1.5
184.08864	4.8
187.07516	2.5
187.11183	5.3
188.08315	3.7
189.09122	3.5
189.12749	30.6
189.16345	2.1
191.14267	1.6
193.08682	1.5
193.12239	2.5
199.11189	15.8
202.09978	5.9
217.12245	100.0
217.15804	4.4
217.19557	2.8
235.02362	1.5
235.09566	2.8
235.13300	58.6
235.16859	28.0
235.20441	9.5
248.41290	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.1125
Annotation	Phyllantidine
Peak:m/z	Relative Intensity
52.43466	0.3
52.58595	0.3
63.53458	0.3
70.04289	0.5
70.04700	1.0
81.22024	0.4
98.21339	0.4
100.00496	0.3
130.06516	2.4
144.08116	2.7
145.08870	6.1
154.06522	0.7
155.07280	1.0
160.07573	0.8
168.08081	0.6
170.09645	4.5
172.07581	24.1
173.08369	14.8
174.09163	0.8
180.08223	0.5
181.08853	1.1
183.06804	4.3
186.09149	2.5
196.07556	0.7
197.08339	1.3
198.09152	21.6
216.10207	8.8
234.11256	100.0
235.11574	1.3
240.44423	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98468	2.7
51.75446	1.9
56.96554	4.4
70.06583	4.8
71.49998	3.6
72.08142	9.4
84.04473	2.3
84.08150	13.6
97.02944	2.2
101.00858	4.7
119.01923	3.2
124.11218	6.3
125.54993	2.0
130.08727	2.1
143.01932	3.0
145.03429	3.6
161.02939	6.3
233.06343	100.0
233.12369	4.8
233.20209	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	232.1544
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
57.03434	1.7
58.06615	0.2
59.07384	0.2
60.08164	8.9
62.47045	0.2
70.20048	1.0
71.04996	2.2
71.46590	0.2
81.24371	0.2
84.08145	0.4
85.02904	100.0
96.08121	0.3
98.20689	0.2
98.97636	0.3
110.06020	0.3
124.11180	0.3
138.99593	0.2
144.10188	1.8
145.08888	0.3
159.04369	0.3
165.00499	0.2
173.08110	10.4
174.80258	0.2
186.02222	2.0
186.09163	2.2
214.01727	0.3
214.08470	0.3
227.23080	0.2
232.02710	0.3
232.09747	4.4
232.15431	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.7
56.05043	4.8
58.06606	0.9
61.01151	2.0
63.09114	0.5
67.05505	6.6
69.07085	0.5
70.06590	3.7
71.61134	0.7
74.00134	0.4
79.05476	0.8
81.07052	1.5
82.84411	0.5
84.08146	100.0
92.77392	0.4
97.08912	0.9
98.09689	4.6
98.97589	0.7
99.51731	0.5
109.10172	1.9
120.08073	0.5
126.12798	74.1
127.13151	0.7
144.13815	1.9
152.61768	0.5
160.07574	0.8
170.12080	0.6
172.90129	0.5
173.11916	0.6
186.05478	1.2
186.09042	2.6
202.08766	0.6
214.08614	5.7
232.10167	3.9
232.13649	42.2
242.00787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	232.0968
Annotation	Bruceolline I
Peak:m/z	Relative Intensity
56.96575	0.8
57.03440	0.4
59.42157	0.3
60.08176	0.4
66.44173	0.3
67.05515	0.4
67.54710	0.4
69.03422	0.9
70.06596	0.7
71.04960	0.3
71.30323	0.5
71.32361	0.3
83.04970	0.6
84.04507	0.6
84.08134	0.5
84.96049	0.4
85.02907	10.7
85.06551	0.4
96.08105	0.5
97.02872	0.5
98.06075	1.1
98.41961	0.3
98.97586	1.3
102.05515	0.6
110.97589	0.5
116.98606	0.3
122.09656	0.5
124.11252	0.6
127.03909	0.9
127.05728	0.3
130.04918	0.4
130.06503	4.7
130.07364	0.5
140.10677	1.6
142.06534	0.3
143.07323	0.8
144.08087	3.7
145.08875	9.3
158.09741	1.1
170.05931	0.5
170.09949	2.5
172.07585	7.0
173.08363	26.4
174.09062	0.4
174.12822	0.5
184.07607	1.1
186.09148	71.9
187.09393	0.6
188.07115	1.0
201.00725	0.6
202.08635	1.9
214.01649	0.4
214.08636	8.0
232.09692	100.0
232.15436	2.3
233.04279	0.5
233.10027	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	5.1
58.99859	1.1
61.02925	1.2
68.98295	2.1
69.03437	1.9
70.99880	1.2
71.14225	1.6
73.01435	1.2
73.02905	1.8
78.10270	0.9
81.03413	1.1
82.99833	4.8
84.08157	1.3
85.01423	11.4
85.02925	2.1
86.99311	1.6
97.02879	0.9
98.97589	2.1
101.00887	34.5
103.02457	19.6
113.00911	1.0
117.04006	10.6
119.01933	60.6
121.03484	6.1
127.02422	6.5
129.00343	7.6
131.01903	3.3
133.03505	7.4
135.05060	6.6
137.02989	8.3
143.01904	2.2
144.98106	1.6
145.03473	51.9
147.01396	30.4
150.90004	0.9
158.99576	1.0
161.02971	15.1
162.99104	1.0
163.04532	22.7
165.02441	4.2
171.01395	23.4
173.02945	4.5
179.03978	2.6
185.03062	2.9
186.99162	1.6
187.04532	3.4
189.02461	100.0
190.02577	1.4
191.04028	1.6
199.00909	1.1
205.00262	1.2
205.05681	1.6
207.03513	22.6
212.04079	1.1
220.59129	0.9
223.01225	1.0
231.03505	36.1
249.04640	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	231.2107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	6.3
57.07088	2.4
61.64668	0.9
65.03941	0.9
67.05505	18.5
69.07072	7.6
69.98401	4.7
79.05498	6.3
81.07061	27.5
83.08631	4.8
88.64444	0.9
91.05489	5.9
93.07049	21.5
95.08610	47.0
95.81922	0.9
97.10131	1.7
98.20749	1.2
98.96786	1.0
105.07027	14.7
107.07867	1.1
107.08598	22.9
109.10160	30.7
111.11736	1.1
117.07099	1.2
119.08582	11.0
121.10149	27.9
123.11710	23.8
131.08539	1.6
133.10149	11.2
135.11694	29.8
137.13251	4.1
140.53828	1.0
145.10086	1.2
147.10585	1.5
147.11685	12.6
148.08815	1.0
149.13258	14.1
152.63071	0.9
157.95793	1.0
159.11713	0.8
161.13271	16.3
173.13298	1.3
175.13280	1.3
175.14813	16.2
189.16371	12.5
191.91977	1.0
231.21083	100.0
232.21402	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	230.9902
Annotation	Unknow
Peak:m/z	Relative Intensity
54.88818	37.8
67.59098	33.5
70.06585	72.6
70.77087	100.0
78.71960	36.0
88.03969	55.0
97.41465	40.4
97.99044	34.5
116.07102	94.5
119.01923	59.6
145.03528	39.2
153.99336	33.9
168.69112	34.5
189.02473	71.3
196.05971	50.8
223.63483	37.3
231.15900	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	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22110	0.2
55.01878	0.6
56.96560	0.8
57.03439	0.5
58.06349	0.1
58.06598	6.0
59.07373	1.2
60.08161	6.9
68.05029	1.1
69.03426	0.4
69.53944	1.1
69.54381	0.8
70.06590	35.4
71.06931	0.4
72.08156	0.5
85.02915	0.3
96.08128	1.4
96.77378	0.3
97.02895	0.3
98.06055	0.6
98.21492	0.3
98.97600	1.0
114.05532	4.1
114.06427	0.3
114.06606	0.2
114.09159	1.8
116.07105	0.9
118.15385	0.3
119.01903	0.4
124.07592	3.4
126.09132	0.9
142.08632	34.1
143.08916	0.3
144.49551	0.3
152.88979	0.3
170.08186	1.4
183.07701	0.5
183.14951	0.4
229.15468	100.0
230.15829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	Pro Ile
Peak:m/z	Relative Intensity
55.01868	0.5
58.06338	0.4
58.06604	6.0
59.07374	1.2
60.08169	7.6
68.05029	1.0
68.37111	0.3
68.76406	0.4
70.06596	38.5
71.24506	0.4
71.59853	0.3
71.60233	0.4
72.08157	0.6
80.44634	0.4
81.04542	0.5
95.06113	0.5
96.08115	1.5
98.06050	0.6
101.00905	0.4
114.05544	3.9
114.09180	1.8
116.07095	0.9
124.07597	3.7
126.09187	0.8
127.05007	0.4
131.95503	0.4
142.08646	33.7
154.07339	0.4
155.08218	0.6
170.08136	1.2
183.07721	2.1
229.08250	1.2
229.15482	100.0
230.15845	1.2
239.04517	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1072
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18344	2.2
53.03954	16.4
55.01867	15.2
55.05514	33.6
56.96566	20.0
57.03437	37.3
57.07063	8.2
58.06591	7.7
59.04985	2.2
60.08151	8.7
61.02910	9.5
65.03939	3.0
67.05503	22.2
68.05021	2.7
69.03432	100.0
69.07058	14.2
70.06597	37.8
70.56486	7.5
71.01336	7.4
71.04996	28.6
72.08140	3.9
73.02924	19.0
73.06577	3.0
73.34299	3.0
79.05507	16.7
81.03421	38.6
81.07052	20.4
83.04624	2.2
83.04991	24.6
84.08133	6.8
84.96018	2.8
85.02420	3.7
85.02910	62.3
85.06136	2.7
85.06551	32.5
87.04457	5.8
91.05504	23.0
93.07061	24.1
95.04976	16.3
95.08599	10.3
96.02450	2.9
97.02897	39.9
97.06525	13.9
98.97564	14.0
99.04435	19.8
103.03923	2.7
103.05476	3.8
105.07036	11.0
107.04929	4.2
107.08585	2.9
109.02888	11.6
109.06499	19.5
109.10205	2.6
111.04451	13.4
111.08086	4.5
112.07600	9.7
114.05524	5.7
114.06703	2.7
115.03951	3.7
115.05482	2.9
116.07098	3.4
116.98643	4.7
117.07031	8.2
119.01896	3.6
119.08550	7.8
121.06488	17.2
123.04451	5.0
123.08057	12.1
124.07584	3.3
124.11223	2.9
125.05995	4.2
127.03921	45.6
128.98550	2.7
129.05487	17.6
129.06992	3.9
130.08620	7.5
133.06490	7.9
135.08051	7.7
137.05977	3.4
139.07494	4.7
142.08650	30.0
145.04938	9.4
145.06534	2.5
145.27794	2.5
147.08032	12.9
150.56772	2.4
151.07574	11.7
154.07375	3.5
155.08174	2.8
156.03307	10.6
157.03682	14.6
163.07532	5.1
164.98575	4.2
165.09050	5.0
167.07005	4.1
169.03667	4.1
174.04388	9.3
175.04691	7.7
175.07463	5.4
182.99626	12.8
183.07768	19.2
183.14963	11.8
186.04425	9.7
187.04688	19.1
193.08652	4.5
201.00656	13.3
204.05481	6.7
205.05727	11.0
205.98669	2.4
211.09558	5.4
223.06609	2.6
229.06157	4.1
229.08290	13.1
229.10756	14.1
229.15485	93.9
230.11490	3.0
237.02760	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	228.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64519	0.5
55.05514	23.1
56.05038	3.7
56.05854	3.0
56.37531	0.4
56.96571	1.5
57.07079	8.4
64.59654	0.5
67.05506	6.5
69.03442	0.6
69.07069	1.9
69.75502	0.9
69.75910	1.7
70.06594	3.9
72.08139	0.5
79.05492	0.8
81.07058	2.3
82.06586	5.2
83.04980	4.1
83.06925	0.7
83.08619	10.3
84.05301	0.8
84.08146	100.0
84.08965	2.8
85.06544	3.2
85.08477	0.5
90.87097	0.5
91.05457	0.6
91.58125	0.9
92.08327	0.9
93.07045	0.4
95.08598	0.7
97.08911	1.0
98.09690	5.9
98.20711	0.5
98.97572	2.2
100.07627	5.5
100.09459	2.2
100.11263	35.7
100.59606	1.9
101.06022	0.5
101.10945	1.0
101.11588	11.3
109.10177	3.1
110.06048	3.3
111.04446	6.7
111.06345	1.0
112.04773	0.7
112.07576	2.4
114.09199	0.8
114.59339	0.8
116.98636	0.9
117.13905	1.9
121.10139	0.5
123.93011	0.4
126.09180	2.0
126.12799	83.5
127.13092	0.5
128.07071	4.0
129.05502	0.9
129.07428	0.6
140.07100	1.9
141.11581	2.2
141.61642	3.9
143.11777	0.6
144.12198	0.5
144.13835	10.9
154.12276	1.5
155.11362	0.6
155.12654	0.6
155.61424	1.0
158.99725	0.7
164.14514	2.7
166.15858	0.6
167.06998	0.5
168.07404	0.8
172.15602	0.8
172.65988	1.2
177.00717	0.8
182.15416	25.1
183.15779	3.3
199.18037	2.2
200.18362	1.6
209.16599	1.4
210.14915	18.6
210.16792	2.0
210.18524	0.7
211.15274	2.0
213.67963	8.4
214.18083	0.7
226.16318	0.7
228.06535	0.8
228.10269	1.6
228.15932	2.1
228.18004	2.7
228.19630	49.5
228.23285	2.9
229.13406	1.6
244.20341	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03951	5.3
55.01861	3.4
55.05513	28.0
57.03434	3.9
57.07073	7.4
59.04990	6.4
67.05508	40.5
69.03427	37.1
69.07076	38.7
71.04991	37.9
71.34420	4.7
79.05492	40.4
81.03414	8.8
81.07059	52.6
83.04980	21.3
83.08622	16.8
85.06536	8.4
91.05474	23.9
92.56659	2.0
93.07045	47.9
95.04969	9.4
95.08605	48.4
95.80054	2.3
97.06543	11.3
97.10158	20.8
99.04468	9.6
99.08115	3.5
105.07039	24.9
107.04977	7.5
107.08599	100.0
109.06516	14.4
109.10151	32.1
111.08096	20.0
115.07584	8.8
117.07018	4.8
119.08569	12.9
121.05773	2.6
121.06520	16.6
121.10146	34.6
123.08080	11.0
123.11713	16.6
125.06040	2.6
125.09649	26.7
129.09117	5.5
131.08598	14.7
133.10150	18.1
135.08070	24.7
135.11713	9.0
137.09628	12.3
139.07603	3.4
143.10661	6.7
145.10098	5.0
147.11707	13.5
149.09589	15.5
149.13289	15.7
151.11182	26.6
153.09113	9.2
156.28912	2.1
161.13240	3.6
163.14807	24.3
165.12740	12.7
166.04749	2.4
167.07054	5.1
173.13264	30.2
191.14301	39.3
209.15410	16.3
210.92845	2.3
227.16415	12.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.7
55.01859	1.7
55.05294	0.4
55.05515	5.0
56.96561	0.8
57.03433	2.4
57.07061	1.5
59.04986	1.1
63.42081	0.5
65.03932	1.3
67.05504	4.6
69.03437	3.6
69.07066	3.1
69.66561	2.9
71.04999	7.9
73.02930	2.4
73.06548	0.9
75.04480	0.6
77.03922	0.7
78.04705	3.1
79.05489	6.3
81.03409	1.5
81.07066	7.6
83.04982	2.5
83.08605	1.8
85.02895	1.2
85.06548	6.5
89.03901	1.4
91.05486	11.3
93.07047	11.3
94.04133	0.6
95.04973	41.4
95.08622	5.6
95.89689	0.4
97.06532	7.7
97.10162	2.1
98.97594	2.2
99.04465	4.8
99.08092	9.3
100.11262	5.0
100.17004	0.5
103.05474	6.3
105.04526	0.8
105.07034	5.0
106.04163	2.6
107.04961	5.6
107.08600	10.8
109.02886	0.8
109.06518	6.0
109.10165	3.7
111.04464	1.3
111.08083	2.0
113.06017	0.9
113.09650	0.6
115.07549	1.4
116.98594	0.6
117.03379	1.4
117.07053	0.7
119.04935	1.3
119.08572	3.5
120.05695	0.6
121.06512	15.0
121.10145	8.3
122.03673	1.1
123.04446	9.4
123.08060	1.6
123.11706	1.9
124.05241	2.7
125.02338	0.6
125.05982	0.9
125.09615	4.5
127.07549	3.1
128.06120	0.5
131.04919	5.4
131.08577	4.6
132.57353	0.5
133.02821	1.3
133.06450	0.5
133.10133	10.6
134.03639	2.3
135.04372	1.3
135.08040	2.3
135.11705	2.1
137.05977	8.4
137.09654	1.1
139.07539	0.5
139.11191	4.1
140.04689	5.9
143.10704	2.7
145.02879	1.4
145.10135	2.1
147.04390	1.5
147.11670	2.0
148.05125	2.2
149.05988	16.2
149.09631	3.8
149.13283	3.4
151.03874	1.7
151.07552	0.5
151.11208	1.6
152.04698	2.1
153.01845	3.7
153.05440	1.0
153.09113	12.0
155.07048	4.7
158.99725	0.6
159.04449	3.6
161.02974	0.5
163.03946	0.7
163.07503	1.0
163.11154	1.7
163.14847	2.0
165.12801	1.1
167.07047	100.0
167.10696	1.8
168.07414	1.2
171.10181	6.8
173.09605	0.7
173.13280	4.9
176.04694	1.0
177.05479	28.3
179.10748	0.7
180.07785	0.6
181.04990	5.7
181.08644	1.2
191.07082	1.3
191.10664	3.0
191.14314	4.9
194.05817	1.2
195.06592	1.1
195.92969	3.1
204.03003	0.6
209.04625	0.5
209.08105	9.3
209.11633	3.2
209.15295	6.1
226.97403	0.5
227.08974	1.6
227.12674	1.9
227.14462	0.9
227.16331	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.88137	4.0
55.05502	20.4
57.07054	4.3
67.05508	25.1
69.03442	21.7
69.07057	18.5
69.72050	27.3
71.04996	8.8
78.30866	4.3
79.05491	15.3
81.07071	53.3
83.04956	12.6
83.08598	5.9
85.06528	17.1
91.05495	22.2
91.54639	5.4
93.07056	53.7
95.04978	9.0
95.08611	55.1
97.06503	22.3
99.08088	7.0
101.45147	4.4
105.07034	43.9
107.08598	100.0
109.06516	24.7
109.10162	46.2
111.08057	9.8
119.08594	29.3
121.06491	12.1
121.10140	57.8
123.08076	27.4
123.11725	5.4
125.09634	5.9
131.08583	33.2
133.10150	69.6
135.08043	16.0
135.11691	8.3
137.09633	28.2
139.11113	5.8
140.04800	4.6
145.10106	12.5
147.11702	21.4
149.09610	15.5
149.13252	46.6
151.11172	44.0
153.09117	5.2
158.10846	6.4
158.52536	4.7
161.13268	5.1
163.11156	5.0
163.14798	22.1
167.10826	6.4
173.13271	49.9
179.14407	6.1
191.14345	50.1
209.15424	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	227.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.0
55.01865	1.2
55.05511	4.7
56.60685	0.7
56.96570	1.5
57.03428	2.3
57.07063	2.3
59.05036	0.7
65.03926	1.6
67.05508	5.4
69.03421	2.6
69.07065	4.3
69.66340	5.5
71.04996	6.8
73.02913	1.9
75.04491	1.0
78.04680	3.7
79.05495	6.7
81.03394	1.8
81.07056	6.8
83.04950	2.3
83.08609	2.2
85.02896	0.8
85.06538	6.4
86.77995	0.7
89.03920	1.6
91.05487	10.3
93.07046	10.9
95.04972	37.5
95.08600	4.8
97.06532	8.1
97.10156	1.3
98.10724	0.8
98.97584	3.1
99.04465	6.3
99.08099	8.9
100.11272	5.9
103.05465	7.3
105.03356	1.0
105.07020	4.5
106.04170	3.0
107.04957	5.6
107.08587	8.7
109.06522	6.3
109.10150	3.7
111.04420	1.2
111.08071	2.8
113.05972	0.8
115.07580	1.4
116.98631	0.8
117.02576	0.8
117.06980	1.5
118.86781	0.9
119.04916	1.4
119.08563	4.0
120.05678	1.5
121.06507	12.9
121.10138	7.5
122.03667	1.0
123.04443	8.2
123.08072	1.8
123.11701	2.4
124.05190	2.7
125.02342	1.1
125.05997	1.5
125.09628	3.8
127.07539	2.9
131.04936	6.3
131.08572	5.1
132.71167	0.8
133.02866	2.2
133.06491	1.0
133.10126	9.0
134.03648	2.4
135.08046	2.2
135.11678	2.1
137.05984	10.2
139.11169	2.3
140.04689	6.3
143.10667	2.8
145.10103	2.6
147.04417	1.6
147.11697	2.1
148.05203	2.6
149.05989	14.1
149.09604	4.2
149.13249	3.7
151.03891	2.2
151.11182	2.2
152.04668	1.9
152.98489	0.8
153.01860	4.5
153.05466	0.9
153.09106	12.8
153.13966	1.0
155.07048	5.3
159.04401	3.9
163.03908	1.5
163.07608	0.7
163.11151	2.5
163.14803	1.4
165.09184	1.2
167.07048	100.0
167.34854	0.9
168.07402	1.5
171.10155	4.0
173.13322	3.7
176.04619	1.4
177.05472	27.8
181.04964	5.8
181.08582	1.0
191.07097	1.5
191.10683	2.2
191.14246	4.1
194.05701	1.7
195.92950	2.2
209.08098	7.2
209.11737	3.4
209.15237	4.1
227.09004	1.6
227.12607	1.9
227.16347	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	227.1641
Annotation	Methyl dihydrojasmonate
Peak:m/z	Relative Intensity
53.03915	5.7
55.01867	17.8
55.05513	59.5
56.96533	7.8
57.03412	4.5
57.07085	12.3
58.25259	1.9
59.04968	3.3
65.03918	2.7
67.05508	38.5
69.03391	7.3
69.07066	21.0
71.04996	61.2
71.27416	2.5
71.27763	4.4
73.02869	6.1
78.04688	2.3
79.05497	25.0
81.03349	6.0
81.07062	45.1
83.04935	8.4
83.08622	39.5
85.06547	16.0
87.04467	11.7
91.05480	21.9
93.07047	34.2
95.04915	7.9
95.08609	21.0
97.06537	94.3
97.10166	45.5
98.97603	10.2
99.04400	3.1
100.11251	25.3
103.05416	7.4
105.06967	9.6
106.04103	2.6
107.04896	5.3
107.08598	28.2
109.06442	5.8
109.10154	19.4
111.08012	9.5
113.94265	2.0
116.98576	5.2
117.03276	2.6
117.06937	8.6
119.08513	5.0
121.06526	17.1
121.10056	7.3
123.04440	10.7
123.07991	3.3
124.05136	4.1
125.09615	29.5
129.06964	2.9
131.04849	8.0
131.08551	12.2
133.10051	9.4
134.03519	2.6
135.08081	10.1
135.11707	13.1
137.05858	7.8
139.48656	2.6
140.04594	8.0
141.07025	2.1
143.08426	6.3
145.10016	3.2
147.04361	2.0
148.05074	2.4
149.06004	14.8
149.09561	4.5
149.13283	11.3
151.03885	2.2
151.11133	2.3
152.04579	4.0
153.09019	2.7
154.76831	2.1
155.06908	6.5
157.10030	5.9
158.99594	3.3
159.04343	3.0
159.11713	11.6
167.07054	100.0
168.61877	1.8
171.11566	3.1
177.05473	24.5
177.12611	9.4
181.04985	12.2
185.13036	2.9
191.10562	3.0
195.13809	41.6
199.07475	3.1
203.12724	2.9
209.07942	8.1
209.13356	2.6
209.18944	2.4
227.06862	6.4
227.08829	4.0
227.10596	3.8
227.12811	9.8
227.14381	5.8
227.16257	76.8
227.21790	7.0
228.09990	3.1
228.22961	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03946	3.3
54.64142	0.8
54.98751	0.9
55.01865	3.8
55.05516	7.5
57.03432	2.0
57.07084	5.7
63.67743	0.9
65.03941	1.9
67.05504	28.2
69.03444	4.5
69.07074	6.7
70.10774	4.3
71.04991	18.7
72.06788	0.9
73.02926	5.1
75.78720	1.0
77.03936	1.2
78.04703	2.9
79.05495	34.3
81.03421	1.7
81.07062	11.7
83.04984	9.9
85.06546	100.0
91.05479	25.7
93.07049	33.4
94.04186	1.0
95.04964	8.4
95.08606	6.4
97.06528	7.6
99.04460	1.7
99.08112	4.8
100.11271	3.2
103.05467	6.6
105.03394	1.0
105.04552	1.0
105.06484	0.8
105.07034	25.3
106.04181	3.4
107.04973	14.5
107.07861	2.0
107.08595	40.2
109.02927	1.0
109.06525	7.5
109.10186	5.2
109.10825	1.0
111.04441	15.3
111.08119	1.4
113.06094	1.1
117.07031	7.7
119.08583	19.1
119.09427	1.3
121.06504	29.4
121.10143	28.8
123.04430	7.7
123.08106	5.0
124.05195	2.4
125.05972	6.0
125.09621	1.3
127.03864	1.2
129.07001	6.6
130.07785	1.4
131.04947	5.8
131.08571	64.5
133.10135	7.0
134.03607	1.6
135.04480	1.9
135.08044	5.7
135.11697	7.3
137.05977	10.1
137.09618	9.2
139.07483	1.5
139.11151	2.8
140.04706	7.4
141.05385	1.4
145.06468	1.9
145.09006	1.9
145.10132	29.3
147.08026	7.0
147.11696	4.1
148.05263	2.2
149.05992	15.0
149.09621	65.2
149.13239	6.5
151.03967	1.2
151.11211	3.9
152.04703	1.5
153.05455	4.5
155.07066	9.7
155.08281	1.8
159.04414	3.7
161.13376	1.1
163.07530	3.2
163.11191	24.3
163.14801	2.2
165.05470	1.6
165.09096	12.1
165.12787	1.1
167.07050	88.5
167.10681	32.6
173.09602	7.3
173.13255	4.5
177.05464	23.7
178.06129	1.2
179.10562	1.3
181.04961	10.1
181.08545	1.4
181.12219	1.2
191.10670	58.6
191.14278	6.1
197.11882	1.1
209.08339	7.4
209.11723	49.5
227.09155	2.9
227.12781	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	227.1279
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03939	2.5
55.01879	2.0
55.05506	7.9
57.03425	4.9
57.07067	5.6
67.05504	33.8
69.03421	4.6
69.07072	3.9
69.64905	13.3
71.04990	19.8
73.07462	2.2
79.05494	28.8
81.07055	12.8
83.04994	12.4
83.08611	2.4
85.06547	100.0
90.80186	2.0
91.05471	22.0
93.07041	29.3
95.04958	6.9
95.08592	4.3
97.06514	7.0
98.97614	2.4
99.04486	3.6
99.08100	5.7
100.11242	9.3
103.05476	2.5
105.07025	19.4
107.04951	13.9
107.08590	39.0
109.02857	1.9
109.06515	6.3
109.10162	7.0
111.04443	15.3
116.06220	2.5
117.07021	6.2
119.08595	16.3
121.06517	21.3
121.10142	22.4
123.04459	4.6
123.08070	3.5
125.05973	6.1
129.06992	7.6
131.08574	67.0
133.10153	5.4
135.04373	2.4
135.08044	3.3
135.11708	8.9
137.05980	3.2
137.09624	10.7
140.04698	2.3
145.10120	32.8
145.70674	1.8
147.08044	7.6
147.11676	4.0
149.06009	7.2
149.09622	70.3
149.13228	2.9
151.11180	9.3
151.81174	2.0
153.05438	3.7
155.07034	4.1
163.07498	4.3
163.11195	24.1
163.14865	2.4
165.09109	11.9
167.07050	25.2
167.10707	30.4
173.09653	7.4
173.13281	3.0
177.05496	5.2
181.05000	5.0
191.10683	59.1
191.14229	2.8
195.06531	3.0
209.08112	8.1
209.11726	51.9
218.82370	2.0
227.12733	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	227.0914
Annotation	Ficusol
Peak:m/z	Relative Intensity
51.44730	0.4
53.03946	2.3
55.01871	2.7
55.05516	3.3
57.03428	1.3
57.07076	3.3
59.04985	0.4
65.03937	1.5
67.05163	0.6
67.05507	11.5
69.03434	2.7
69.07070	4.3
69.69846	1.5
69.70268	1.7
71.04991	8.3
73.02917	2.5
77.03915	0.6
78.04713	3.2
79.05045	0.9
79.05492	14.6
81.03419	1.4
81.07061	6.6
83.04985	4.3
83.08601	0.8
85.02906	0.9
85.06544	41.3
87.04465	0.5
89.03899	1.0
91.05482	14.7
92.77377	0.4
93.07045	17.3
94.04179	0.7
95.04969	6.1
95.08614	4.6
96.05766	0.6
97.06535	2.9
98.20814	0.9
98.97574	0.8
99.04432	0.7
99.08080	2.2
100.11253	2.2
103.05468	7.1
105.03366	0.7
105.04544	1.3
105.07028	10.3
106.04167	3.5
107.04961	9.1
107.08598	21.9
109.02891	0.6
109.06524	4.1
109.10169	2.9
111.04428	5.7
111.08065	1.4
116.06206	0.5
117.03384	1.4
117.07038	2.8
119.04945	1.7
119.07765	0.7
119.08579	9.1
120.05660	0.8
121.06508	18.1
121.10143	12.4
122.03662	0.6
123.04444	8.3
123.08076	3.0
124.05225	2.9
125.02330	0.6
125.06002	3.0
125.09671	0.9
129.07004	2.8
130.07813	1.0
131.04932	6.4
131.08571	27.3
132.08817	0.5
133.02855	1.3
133.06525	0.6
133.10141	4.7
134.03656	2.8
135.04395	2.1
135.08069	3.1
135.11707	3.4
137.05984	8.2
137.09639	4.4
139.07558	1.5
139.11208	1.4
140.04684	7.6
141.05412	0.6
145.02867	0.6
145.06500	0.8
145.10130	10.8
145.11261	0.7
147.04382	1.4
147.08063	2.4
147.11665	1.9
148.05188	2.4
149.05988	14.6
149.09619	27.3
149.13258	3.9
151.03867	1.2
151.11166	2.2
152.04697	1.9
153.01836	0.9
153.05482	2.0
153.09093	0.6
155.07036	6.9
155.08340	0.9
159.04411	3.5
161.13121	0.5
163.03900	1.2
163.07573	1.9
163.11191	9.1
163.14856	1.6
165.05495	1.1
165.09102	4.3
166.06181	0.6
167.07042	100.0
167.10687	13.0
168.07393	1.6
173.09605	3.8
173.13255	2.7
176.04651	0.7
177.05476	24.2
178.06187	0.5
179.07094	0.6
179.10693	1.1
181.04942	8.9
181.08540	1.0
181.12305	0.4
191.06987	1.4
191.10672	23.1
191.14249	3.3
194.05728	1.0
197.08156	0.6
197.11775	0.7
209.08141	8.3
209.11722	19.1
227.09232	2.8
227.12712	7.7
227.14484	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0915
Annotation	Ficusol
Peak:m/z	Relative Intensity
50.38490	0.6
50.64966	0.6
52.91186	0.7
53.03944	1.6
55.01877	4.9
55.05502	0.9
59.44028	0.6
65.03647	0.6
65.03950	6.8
66.53918	0.7
67.05503	4.3
69.03429	2.0
69.07043	1.3
70.08504	2.0
70.08911	1.4
71.04971	0.8
73.02921	38.5
77.03908	0.7
79.05488	1.5
82.04202	2.6
83.52014	0.7
85.02919	5.7
85.06498	0.6
85.45376	0.6
88.10992	0.7
91.05466	2.3
93.03387	2.2
93.07035	1.8
95.04979	5.2
97.02869	1.1
97.06524	2.6
98.21500	0.7
98.97603	0.8
99.04468	0.8
100.11251	2.2
105.04532	1.0
105.07027	1.1
107.04919	1.5
107.08600	0.8
107.25519	0.6
108.02106	1.7
109.10132	1.0
110.03661	3.8
110.14197	0.7
111.04456	0.8
111.08089	1.1
113.62042	0.7
121.06508	2.0
121.10139	0.9
123.00851	0.7
123.04436	9.2
125.02365	3.3
125.05987	2.1
125.09619	0.8
131.08617	1.0
138.03151	2.1
140.04689	52.0
142.02592	3.3
149.05989	1.6
153.05486	4.6
155.07037	62.2
167.07045	3.8
171.06497	3.7
171.39334	0.7
173.08069	2.1
177.05495	1.3
179.07014	1.9
181.04967	100.0
209.08093	20.2
209.11484	0.7
227.09135	16.1
227.14264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03928	1.4
55.01871	6.2
55.69597	0.7
56.96549	0.8
58.17174	0.6
65.03940	7.0
67.05492	2.6
69.03421	1.0
70.99840	0.7
71.00160	1.2
73.02915	38.4
79.05495	0.9
81.03420	1.0
82.00558	0.7
82.04194	2.6
85.02916	5.5
85.75077	0.7
91.05476	2.7
93.03397	1.6
93.07048	0.7
95.04972	4.9
97.02869	1.2
97.06518	3.3
98.97577	0.8
103.05421	1.2
105.07014	0.8
107.04958	1.1
108.02068	1.3
110.03651	4.1
110.97530	1.5
111.04449	1.0
121.06499	2.8
123.04433	10.1
125.02322	2.2
125.05974	2.9
128.98582	0.7
137.05919	0.8
138.03104	2.2
138.62062	0.7
140.04688	50.0
141.05083	0.7
142.02570	3.2
145.10072	0.7
149.05998	1.2
153.05444	3.6
155.07027	60.2
161.05980	0.8
166.06227	0.8
167.07063	4.3
171.06532	3.0
173.08105	1.9
177.05423	1.1
179.07040	2.3
181.04956	100.0
181.08336	3.9
182.05241	0.9
191.10669	0.9
209.08086	19.8
227.09103	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	225.1486
Annotation	3-Oxo-2-(2Z-Pentenyl)cyclopentyl propionic acid
Peak:m/z	Relative Intensity
55.05508	8.4
57.03434	2.3
67.05510	6.8
69.03421	3.7
69.07063	2.6
69.43256	11.0
71.04958	2.6
79.05490	5.8
81.03398	1.6
81.07056	9.0
83.04982	52.9
85.06532	2.1
91.05468	5.3
93.07053	6.9
95.04945	3.5
95.08599	11.0
97.02890	1.2
97.06528	3.8
98.97587	1.5
99.04453	2.9
99.08094	17.1
105.07034	8.6
107.08594	13.0
109.06522	43.8
109.10184	3.1
111.04443	22.3
111.08090	3.7
113.09673	1.6
117.77237	1.1
119.08594	11.3
121.06506	6.2
121.10148	9.9
123.08071	100.0
123.11702	3.4
125.09631	10.3
125.56065	1.2
127.07570	3.4
133.10110	5.2
135.11685	2.2
137.09613	4.3
139.11183	2.3
141.09070	1.8
145.10077	2.9
147.11682	8.6
149.09621	12.5
151.07512	4.9
151.11168	7.3
161.09554	2.1
161.13223	4.4
163.11179	3.9
165.12784	11.4
167.10704	10.3
179.14360	1.7
181.12242	2.1
183.10242	1.3
189.12712	5.5
207.13820	19.2
225.14848	14.3
225.22711	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.15627	2.4
53.03941	3.8
55.01868	3.0
55.05498	11.2
55.91564	3.0
57.03428	6.8
57.07060	6.9
59.04988	10.1
67.05508	17.0
69.03432	12.6
69.07058	11.6
69.73170	14.8
71.04988	4.8
78.26528	2.2
79.05503	18.9
81.07067	21.9
83.04975	15.6
83.08642	4.3
85.02914	16.7
85.06569	2.8
91.05492	22.1
93.07048	32.2
95.04974	6.3
95.08613	29.2
97.02892	3.3
97.06516	7.3
97.10157	2.4
98.21480	3.2
99.04461	4.5
102.42035	2.3
103.05466	4.2
105.07040	40.8
107.04961	5.6
107.08598	38.4
109.06524	21.6
109.10165	18.5
111.04439	4.0
111.08079	8.8
113.06001	4.7
117.07014	7.0
119.08595	32.0
120.50936	2.2
121.06523	7.1
121.10157	39.0
122.04305	2.7
122.07240	2.9
123.08079	19.1
123.11713	15.6
125.06005	11.0
125.09641	7.9
127.07596	3.1
130.07788	2.6
133.06537	2.9
133.10161	9.7
135.08041	11.4
135.11728	23.8
137.06042	3.7
137.09613	33.4
139.11157	7.5
143.08621	2.8
145.10114	6.0
147.08029	6.8
147.11726	11.8
149.09639	16.2
151.07571	7.4
151.11186	37.2
151.14960	2.7
154.79337	2.3
159.11670	4.9
161.13252	15.1
163.11218	26.0
165.09117	41.4
165.12746	17.4
167.10666	7.6
171.11713	4.1
179.14308	4.4
181.12242	81.6
189.12732	14.5
207.13805	35.2
225.14874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.28733	2.3
53.03939	3.4
55.01867	4.2
55.05514	14.1
57.07068	4.3
59.04967	3.0
67.05508	28.8
68.43971	2.7
69.03431	100.0
69.07063	14.8
70.20134	11.2
71.04979	10.5
77.00613	2.4
79.05493	23.9
81.03413	8.4
81.07061	39.1
83.04981	13.5
83.08605	2.8
85.02923	2.6
85.06522	2.8
86.99767	2.8
87.04463	6.0
91.05499	17.2
93.07039	27.1
95.04958	13.7
95.08604	24.0
97.02879	4.1
97.06525	7.0
99.04460	3.3
103.05457	2.9
105.07033	52.6
107.04937	6.0
107.08593	26.5
109.06525	31.5
109.10159	15.9
111.08079	11.6
117.07002	2.8
119.08579	37.8
121.06499	10.4
121.10143	38.9
122.07264	3.5
123.04446	15.4
123.08052	16.8
123.11708	4.2
125.09577	3.1
129.07011	3.2
131.08540	6.5
133.06482	15.8
133.07393	2.5
133.10130	55.0
135.08058	8.2
135.11696	8.1
137.06012	2.9
137.09622	56.5
139.11188	28.0
143.08585	3.4
145.10130	7.8
146.98436	2.3
147.08049	12.7
147.11694	40.7
149.09628	28.0
151.07545	11.3
151.11194	5.3
153.09134	5.1
156.09337	8.9
159.08051	5.3
159.11607	3.2
161.09636	4.6
161.13278	26.9
163.11218	11.3
165.12808	4.1
167.10645	2.8
171.11653	12.2
174.10423	12.1
189.12749	32.6
202.46397	2.5
207.13829	34.2
207.19206	2.6
225.14861	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	225.1485
Annotation	Grasshopper ketone
Peak:m/z	Relative Intensity
54.87661	1.4
55.05510	2.5
59.04996	2.4
67.05488	2.8
68.79498	1.3
69.03431	44.2
69.07061	4.0
69.91704	6.6
71.05013	1.2
79.05481	2.8
81.07058	6.0
83.04996	6.7
83.90000	1.1
85.02901	1.8
86.17618	1.1
87.04467	33.5
91.05489	2.3
93.07053	4.4
95.04953	1.5
95.08605	8.3
97.06527	2.7
99.04463	1.4
105.07021	7.0
109.06511	2.9
109.10157	11.1
111.08014	1.5
119.08591	4.0
121.10147	27.5
123.08077	3.9
133.10162	2.9
137.09654	5.6
139.11185	100.0
147.11697	1.7
149.09648	2.3
151.07582	3.1
153.09077	1.2
161.13286	1.5
165.09181	2.8
165.12854	2.2
169.08607	2.7
189.12718	1.7
193.73296	1.2
207.13792	3.7
225.14853	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	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.05507	11.5
57.03436	3.4
57.07067	4.4
57.44818	3.2
59.04993	3.8
63.26169	3.6
67.05510	22.1
69.03426	5.5
69.07069	3.7
71.19784	7.2
78.83019	2.9
79.05505	6.0
81.07069	23.7
83.04951	5.4
85.02912	84.8
85.06545	10.2
85.48880	3.5
91.05495	6.1
93.07035	8.2
95.08610	100.0
105.07021	9.1
107.08598	7.8
109.06524	8.7
109.10159	12.1
113.06026	6.0
119.08569	13.3
121.10133	14.5
123.08077	33.5
123.11710	67.6
125.05988	6.6
133.10080	3.2
135.11699	9.7
135.87462	3.3
140.04831	3.3
141.09126	5.9
143.08560	3.3
147.11710	7.2
149.09625	21.6
151.07578	4.7
160.58194	3.7
161.13179	9.0
165.12753	4.5
186.97224	3.5
189.12733	11.2
207.02908	4.3
207.13831	23.0
225.03957	6.3
225.14822	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	225.072
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88634	2.0
61.44278	1.8
70.04578	8.0
82.99828	3.8
84.96012	2.2
85.72481	1.9
98.21474	2.5
101.00884	51.9
119.01926	97.7
124.02437	3.3
134.99879	3.2
137.02960	13.8
140.98828	5.2
142.03499	25.3
142.10164	2.2
158.99915	15.5
160.00087	2.1
160.04523	4.3
161.02971	11.4
177.00963	92.5
178.01009	5.4
179.03966	12.4
182.99847	3.2
184.04593	3.5
195.02011	2.0
201.00883	8.0
201.02515	3.3
217.04103	11.1
219.02005	100.0
220.02065	11.8
225.00755	3.8
225.02594	3.4
243.01970	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	224.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21635	0.4
55.01885	0.4
55.05517	1.1
56.96567	1.4
57.07062	0.5
65.20483	0.3
66.34399	0.4
67.05501	2.1
68.05020	0.5
69.03438	0.8
69.07082	0.9
70.06592	100.0
71.04977	0.4
72.08147	0.4
79.05508	0.7
81.07050	0.8
83.04981	0.8
83.07382	0.7
84.08159	1.8
85.02920	0.6
91.05482	1.0
92.04217	0.4
93.07037	1.2
94.52693	0.3
95.01336	0.3
95.04995	0.5
95.08612	3.7
96.08939	0.5
97.02903	0.3
97.06511	0.7
98.97562	1.8
99.04467	0.8
107.08579	0.7
108.08902	0.4
109.10229	0.5
112.11245	39.2
113.02306	0.4
116.98551	0.8
119.04951	0.5
121.10148	0.4
122.10476	0.5
123.08068	0.4
136.07487	0.5
136.08458	0.6
145.03400	0.4
147.04341	0.7
152.07028	0.8
153.01790	0.8
153.05600	0.4
158.99661	0.4
161.13281	0.4
164.04254	0.7
178.08592	0.4
182.17674	0.4
182.99675	0.8
187.04492	0.4
189.12724	0.4
192.04863	0.4
194.11696	0.7
200.96883	1.4
201.00645	1.5
203.07324	0.4
206.08205	0.3
206.11597	0.8
207.10091	0.4
218.97955	2.3
224.03384	0.5
224.12794	13.8
224.16347	0.8
225.04089	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1282
Annotation	(-)-Deacetylanisomycin
Peak:m/z	Relative Intensity
55.05502	0.3
56.05027	0.5
56.96567	2.3
57.03437	0.4
57.07068	0.4
60.04527	0.4
61.02932	0.3
67.05492	0.8
67.66291	0.3
69.03432	1.3
69.07068	0.5
70.06600	0.5
70.46464	0.7
70.46801	0.5
71.04988	0.3
73.02908	0.4
76.02208	0.3
76.03999	0.3
79.05487	0.4
81.03420	0.5
81.07061	0.3
83.04961	0.6
84.04504	2.7
84.08149	1.5
85.02898	0.7
86.06070	0.8
91.05471	0.6
93.07056	0.5
94.06559	0.3
95.04998	0.5
96.04518	0.3
97.02899	1.1
98.97592	2.0
98.98454	1.7
109.06483	0.3
110.97571	0.5
112.07603	1.0
116.98624	0.9
118.98180	0.3
119.01889	0.5
120.08062	0.3
120.99577	0.3
124.11223	3.6
125.09631	1.2
127.03946	0.3
129.10167	0.3
130.05011	0.4
130.08640	0.8
132.08099	0.9
134.09590	0.5
135.11728	0.4
136.06187	5.4
136.07552	0.7
136.11281	0.3
138.09114	0.3
146.99690	0.4
147.04422	0.3
149.98439	0.3
150.05466	0.5
150.09161	0.5
152.02200	0.3
152.04128	0.5
156.08528	0.3
158.97263	1.1
158.99634	0.7
160.07561	0.5
161.04663	1.3
162.07974	0.2
162.09135	14.1
163.09926	19.5
164.04315	0.5
164.10713	5.2
165.07457	0.6
166.08673	0.3
175.02873	0.3
175.04317	0.3
176.10690	0.8
176.98331	0.9
177.00705	0.5
178.04962	0.4
178.07210	0.6
178.08600	0.8
182.99689	1.0
183.01196	0.3
186.04347	0.5
186.09189	0.5
188.10706	8.4
189.00696	0.3
200.98932	0.3
201.00674	1.9
206.11777	5.5
206.15466	0.3
218.99715	0.4
219.01810	1.0
224.12848	100.0
225.04153	0.5
225.13208	1.4
226.04402	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1693
Annotation	Rishitin
Peak:m/z	Relative Intensity
51.15460	1.4
53.03947	11.9
55.01860	3.9
55.05510	23.9
56.05024	2.0
56.96568	3.4
57.03423	3.8
57.07077	12.8
59.04997	3.1
65.03920	3.0
67.05505	34.0
69.03431	33.2
69.06723	1.8
69.07065	25.6
71.04967	5.7
71.61545	2.4
79.05488	27.7
81.03418	57.0
81.03895	2.7
81.07054	38.1
83.04980	32.6
83.08611	12.5
85.02888	2.7
85.06067	2.8
85.06544	33.3
91.05480	16.2
93.07043	52.8
95.04984	14.5
95.08608	57.4
95.09224	3.3
97.02898	3.1
97.06531	8.2
97.10130	2.7
98.97552	6.7
99.08067	3.2
103.05455	3.8
105.07024	23.4
107.04948	7.5
107.08603	36.2
109.06513	21.1
109.10146	41.5
111.04410	2.1
111.08070	13.1
113.09638	4.5
115.05406	2.0
116.98611	2.5
117.06988	3.8
119.08582	13.3
121.06512	24.6
121.10139	81.5
122.07243	3.2
123.08063	17.9
123.11697	8.8
125.09611	4.9
126.01076	2.9
129.07024	1.9
130.07771	2.5
131.04919	2.1
131.08551	5.8
132.80836	1.7
133.10144	7.9
135.08060	17.1
135.11693	12.5
137.05945	2.0
137.09615	24.9
137.13278	3.4
139.07538	25.0
139.11153	5.6
145.06485	2.0
145.10161	11.3
147.11671	9.7
149.02316	7.6
149.04231	1.7
149.09622	27.2
149.13228	4.9
151.03900	3.5
151.11131	5.1
153.09094	4.5
158.99646	2.4
159.04453	1.8
159.11681	7.1
161.09583	2.2
161.13234	5.9
163.03882	7.2
163.07541	2.6
163.11197	8.0
163.14816	14.6
165.12756	52.9
167.10750	3.1
175.14790	2.1
177.00711	2.3
177.05417	2.4
177.12726	5.5
177.16333	4.4
187.14786	7.2
193.15868	7.3
205.08543	2.4
205.12163	7.7
205.15860	13.7
223.02367	3.7
223.05885	3.8
223.07715	3.4
223.09448	3.4
223.11203	6.1
223.13426	9.3
223.16908	100.0
225.04358	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	223.1694
Annotation	Rishitin
Peak:m/z	Relative Intensity
53.03942	12.1
55.01863	3.8
55.05261	1.6
55.05509	23.3
56.64885	1.4
56.96552	5.5
57.03419	5.1
57.07070	11.8
59.04985	2.1
65.03922	3.0
67.05161	2.0
67.05506	36.2
67.35873	1.4
69.03069	2.2
69.03428	35.7
69.07067	28.5
71.04978	4.5
71.08611	1.6
71.61212	2.4
79.05496	23.5
81.03416	73.0
81.06573	2.1
81.07054	35.4
83.04984	26.4
83.08626	12.6
85.02911	3.6
85.06064	2.2
85.06544	34.2
91.05473	20.6
91.52322	1.5
93.06453	3.0
93.07043	54.5
95.04433	1.6
95.04976	18.2
95.08606	55.2
97.02879	2.2
97.06530	8.8
97.10156	2.8
98.97565	5.3
99.08051	2.9
103.05467	3.6
105.07038	24.4
107.04965	7.9
107.08599	36.4
109.06508	24.5
109.09446	2.3
109.10158	41.0
111.04462	2.1
111.08067	12.6
111.11710	1.8
113.09628	3.7
115.05460	2.3
116.98606	2.5
117.06982	5.0
119.08565	15.1
121.02856	2.7
121.06509	29.1
121.10141	82.7
122.07335	2.0
123.08081	15.2
123.11687	7.7
124.58829	1.3
125.09627	4.4
126.01055	1.9
130.07829	1.5
131.04935	3.0
131.08591	7.0
133.06503	1.6
133.07607	1.7
133.10126	8.8
135.04413	2.2
135.08061	18.1
135.11699	13.9
137.09607	21.6
137.13206	1.6
139.07542	24.4
139.11143	5.4
142.08363	1.5
142.26469	1.3
143.08519	1.7
145.06528	1.4
145.10115	11.5
147.11688	12.3
149.02339	9.3
149.05971	2.8
149.09621	27.8
149.13220	6.2
151.11171	6.3
153.09097	6.7
158.99648	3.8
159.11714	6.7
161.05965	2.3
161.13219	4.3
163.03873	8.6
163.11183	12.3
163.14836	14.3
165.06923	2.0
165.09105	1.6
165.12758	50.8
167.07027	1.9
175.14812	3.7
177.00752	2.2
177.05516	2.6
177.12733	5.4
177.16316	2.9
181.12248	1.5
187.11153	2.8
187.14781	4.4
193.15862	8.5
195.08012	2.4
205.12206	6.0
205.15822	11.5
223.02402	3.9
223.06001	5.9
223.07780	2.7
223.09476	3.0
223.11166	5.3
223.13498	9.5
223.16917	100.0
224.17479	1.9
225.04288	2.9
242.74062	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
55.01853	5.6
55.05510	18.3
57.03425	3.8
57.07065	4.4
57.79974	2.1
59.04980	9.6
61.06107	2.3
65.03933	2.7
67.05510	11.8
69.03437	20.8
69.07048	7.0
69.87039	7.8
69.87450	4.6
71.04977	4.0
79.05492	16.3
81.03407	4.2
81.07073	13.6
83.04984	32.5
85.02920	22.4
85.06522	4.7
89.06014	2.0
91.05479	22.6
93.07047	44.0
95.04971	23.1
95.08620	19.9
97.02888	4.8
97.06525	10.1
97.10152	8.0
98.21438	4.0
103.05399	2.8
105.07043	26.9
106.89880	2.0
107.04923	6.1
107.08587	25.9
109.06522	33.2
109.10139	14.4
111.04437	3.2
111.08097	10.1
112.49310	2.0
113.05998	10.3
114.70091	2.1
117.07000	8.5
119.08595	27.3
120.08089	2.2
121.06512	53.0
121.08424	4.1
121.10141	29.0
122.07179	2.3
123.04448	4.3
123.08079	16.2
125.05997	2.9
125.09576	2.9
129.06987	4.6
130.06476	7.6
130.07706	3.8
130.68904	2.3
131.04935	3.2
131.06879	31.4
131.08551	9.1
133.04764	4.7
133.10132	18.6
135.04401	5.7
135.08058	26.4
135.11671	18.6
137.05972	4.6
137.09628	18.5
139.07527	9.0
139.11061	3.3
141.07422	3.2
143.08517	2.9
144.09303	5.8
145.06459	5.9
145.10130	17.8
147.08014	8.0
149.02332	11.0
149.05956	6.2
149.07901	9.3
149.09621	100.0
149.13255	7.4
151.11179	6.5
153.09065	4.1
159.06313	11.9
159.08107	2.5
159.11710	25.6
161.05859	2.2
161.09645	22.1
163.03903	18.3
163.07509	3.3
163.11195	27.9
165.09056	15.3
167.07079	4.2
172.08821	8.1
175.11212	5.3
177.05595	3.8
177.07375	25.6
177.08969	3.5
177.12752	25.4
179.03317	2.3
179.10693	21.0
181.12190	6.6
187.11180	18.1
193.12178	2.9
195.13580	3.6
205.04961	5.9
205.08600	3.3
205.10384	4.7
205.12213	51.7
223.02563	11.0
223.05948	7.4
223.09576	5.6
223.13269	77.1
225.04341	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	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
52.86081	2.0
53.03925	5.8
55.01860	8.6
55.05292	2.5
55.05511	28.2
56.26659	2.2
56.96546	7.1
57.03423	6.2
59.04987	5.1
64.04666	2.2
65.03938	3.1
67.05510	16.9
69.03436	17.5
69.07068	14.7
70.06586	17.3
71.04980	9.5
71.30245	3.2
79.05505	17.2
81.03388	7.2
81.07053	20.5
83.01336	3.4
83.04986	27.7
83.08623	3.0
85.02913	30.6
85.06535	2.7
89.06020	5.9
91.05478	26.1
93.07048	46.0
95.04972	17.4
95.08603	31.0
97.02865	10.0
97.06526	11.5
97.10162	10.7
98.35654	2.3
98.97586	16.5
99.04443	5.2
102.65592	2.3
103.05463	4.8
105.07026	21.0
107.04940	9.6
107.08603	48.7
109.02882	3.0
109.06523	18.4
109.10142	9.9
111.08086	11.2
112.11221	7.7
113.06026	3.9
115.05480	4.0
116.98610	3.9
117.06998	14.5
119.04924	2.8
119.08588	33.8
120.08112	2.3
121.02872	4.2
121.06509	48.3
121.10162	26.4
123.04440	2.3
123.08068	23.1
123.11720	2.4
125.05964	6.2
125.09677	2.8
126.11751	2.1
127.03918	4.3
129.05531	3.0
129.06895	3.5
131.04915	5.2
131.06863	2.9
131.08583	14.4
133.06464	6.1
133.10132	17.2
135.04428	4.9
135.08057	62.0
135.11678	23.2
137.05977	8.7
137.09625	20.9
139.07550	13.0
139.11150	3.1
143.06972	2.4
144.05722	2.8
144.09320	4.5
145.06456	4.2
145.10147	14.3
147.04378	3.1
147.08044	11.6
149.02341	16.9
149.06010	14.4
149.09628	36.3
149.13258	22.6
151.07529	9.9
151.11169	3.0
153.01813	7.9
153.09097	5.5
155.06987	3.3
158.99637	4.8
159.04417	4.1
159.06407	2.1
159.08063	6.9
159.11703	34.2
161.05927	4.6
161.09631	10.4
162.03130	2.8
163.03903	27.2
163.07559	5.4
163.11169	20.7
165.09132	60.1
167.07048	5.9
167.10632	2.8
172.08783	4.2
175.11203	16.0
177.00600	2.7
177.04271	5.9
177.05676	17.4
177.07397	6.3
177.08928	11.4
177.12758	44.7
178.13203	2.5
179.03470	3.1
179.10641	13.7
181.04956	3.9
181.08575	3.5
181.12206	4.9
187.11171	9.9
193.12253	9.9
195.05312	3.6
195.13777	5.1
202.06789	2.7
203.07684	2.7
205.05008	4.9
205.08565	9.8
205.12233	58.8
210.78239	2.7
223.02386	9.1
223.05943	13.9
223.07802	2.4
223.09619	6.1
223.13275	100.0
223.16791	4.9
225.04353	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	223.133
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03944	1.4
54.50533	0.5
55.01866	2.5
55.05521	3.0
55.51348	0.5
56.55608	0.6
56.96574	3.6
57.03422	1.2
57.07061	2.4
59.04992	0.5
60.04514	0.7
65.03924	1.1
65.93167	0.5
67.05511	4.7
69.03436	3.4
69.07056	2.4
70.13071	2.5
71.04974	1.1
73.02913	0.6
79.05499	5.6
80.08881	0.5
81.03391	2.0
81.07056	7.2
83.01357	0.8
83.04985	4.8
83.08623	0.8
84.04505	4.4
84.08106	0.6
85.02915	4.7
85.06548	2.2
91.05481	6.3
93.07040	7.4
94.06578	3.1
95.04985	3.7
95.08607	4.4
97.02890	2.5
97.06528	2.5
98.21407	0.7
98.97591	7.3
99.04427	1.8
101.02380	2.2
103.05449	1.6
105.07045	8.1
106.47540	0.7
107.04961	3.8
107.08591	9.3
109.06537	2.9
109.10133	2.6
111.04437	1.8
111.08118	3.3
115.05411	0.9
116.98651	2.9
117.07044	4.7
119.04958	0.8
119.08594	5.5
120.08102	0.8
121.02856	2.0
121.06503	5.8
121.10158	7.1
123.04431	2.2
123.08089	3.1
123.11700	2.3
124.11251	0.7
125.06005	2.5
125.09631	1.3
128.98611	0.7
129.06961	1.7
130.05011	0.8
131.04887	1.5
131.06891	2.9
131.08539	4.1
133.04869	0.7
133.06487	1.6
133.10143	3.3
134.99687	1.0
135.04404	1.3
135.08034	4.7
135.11690	3.0
136.05061	1.9
137.05991	1.7
137.09621	1.7
139.07541	10.1
139.11176	0.9
143.08553	1.0
144.09325	2.2
145.06506	1.8
145.10147	3.7
147.08037	1.3
147.11719	0.6
149.02370	6.1
149.05977	3.8
149.07919	0.7
149.09680	3.1
149.13295	1.3
151.03970	0.7
151.07509	0.8
153.01785	2.8
155.46225	0.6
157.10098	0.9
158.99664	2.3
159.04417	1.4
159.06436	0.9
159.08041	1.1
159.11731	6.0
161.05978	2.2
161.09647	3.1
163.03908	13.1
163.07608	3.7
163.11174	3.4
165.09158	2.8
167.03461	0.8
167.07040	1.9
169.10004	0.7
172.03894	0.7
172.08853	1.0
173.13165	0.7
175.07408	0.8
175.11272	0.7
177.00615	2.7
177.05563	3.6
177.07393	3.1
177.09074	1.9
177.12650	3.5
177.14052	0.8
179.10669	15.5
181.12209	1.5
186.05449	1.0
187.11163	2.0
190.09871	1.7
191.03386	1.8
201.04100	0.7
205.01439	0.6
205.04938	1.9
205.08595	0.9
205.12207	20.4
209.01109	1.1
209.04425	0.7
214.08459	0.9
223.02449	3.6
223.05991	3.9
223.08304	4.1
223.13292	100.0
224.13672	1.0
225.04324	5.7
227.02223	2.1
237.02716	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1328
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03923	3.3
55.01853	3.3
55.05499	8.6
57.03435	2.7
57.07077	2.3
59.04996	3.3
61.89014	1.7
67.05499	9.3
69.03436	15.7
69.07053	6.2
69.80559	9.9
79.05497	10.2
81.03400	4.3
81.07054	10.8
82.33495	1.9
83.04980	14.5
85.02892	13.8
85.06515	6.1
91.05482	17.9
93.07050	29.0
95.04978	12.3
95.08578	9.7
97.02905	1.9
97.06547	2.8
97.10182	3.9
98.97574	4.4
99.04464	2.5
105.07044	20.2
106.47556	1.9
107.04983	3.3
107.08591	17.6
109.06525	33.5
109.10145	7.1
110.62178	1.7
111.08072	8.0
113.06036	10.3
117.07011	4.6
119.08588	20.3
121.06509	39.2
121.10124	17.9
123.04405	2.4
123.08082	10.4
125.09611	3.0
128.06224	2.6
131.08565	7.4
133.10138	17.6
135.08063	25.2
135.11690	11.7
137.09645	12.1
139.07513	7.5
143.08539	4.5
144.09383	2.3
145.10112	13.1
146.07289	3.5
147.08035	5.2
149.02318	3.7
149.06018	4.7
149.09615	100.0
151.11169	8.4
159.06540	1.9
159.08057	2.5
159.11723	19.2
161.09616	22.5
163.03961	2.4
163.07547	3.1
163.11191	18.2
165.09056	9.8
167.07059	3.9
172.08835	4.5
175.11261	4.5
177.07413	5.5
177.09073	2.5
177.12729	23.3
179.10649	13.2
181.12247	3.4
187.11174	18.8
200.30080	1.7
205.10414	3.4
205.12219	40.6
223.02396	3.8
223.07777	2.3
223.13272	55.3
225.04233	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.1329
Annotation	Aristelegone D
Peak:m/z	Relative Intensity
53.03933	7.2
55.01860	6.4
55.05516	10.6
56.96555	3.6
57.07063	3.9
59.04987	7.5
67.05508	13.2
67.19552	1.7
68.99744	2.2
69.03108	2.1
69.03432	18.6
69.07056	7.4
69.49390	15.8
71.04976	3.2
72.50662	1.8
77.95808	2.2
79.05499	20.2
81.03405	4.7
81.07060	16.8
83.04978	24.5
83.08612	4.6
85.02896	4.2
85.06551	3.0
87.04458	2.9
91.04959	2.9
91.05481	47.6
93.07043	94.9
95.04973	23.7
95.08607	9.7
97.02911	2.2
97.06520	5.9
98.97601	11.6
103.05463	9.0
105.03397	3.4
105.04485	3.2
105.07027	27.9
107.04930	5.9
107.08595	33.6
109.06512	17.3
109.10141	7.6
111.04447	1.7
111.08070	8.1
113.06004	2.8
115.05467	3.6
116.98619	2.2
117.07044	16.4
119.04939	3.9
119.08566	17.3
120.08179	2.7
121.06509	100.0
121.10161	24.7
123.08025	6.6
123.08867	2.0
125.05968	2.2
125.09641	5.0
127.07537	8.8
128.06200	3.3
129.06979	8.6
130.06560	2.2
130.07681	2.9
131.04971	3.8
131.06888	15.2
131.08536	11.8
133.06529	3.0
133.10149	14.4
135.04341	3.5
135.08078	17.6
135.11671	8.3
137.09596	7.1
139.03952	2.3
139.07524	10.9
141.06976	2.0
142.07803	4.0
143.08542	2.5
144.09309	5.2
145.06458	5.8
145.10144	18.2
147.08038	9.1
147.11685	4.4
149.02322	7.5
149.05956	4.5
149.07880	4.7
149.09621	74.3
149.13286	3.1
151.11130	2.2
153.09129	13.5
153.79958	2.0
157.10081	11.5
158.99664	4.7
159.06345	4.1
159.08044	5.0
159.11710	27.4
161.09654	9.9
163.03906	10.9
163.07536	3.9
163.11185	15.9
165.09106	4.5
167.10612	2.2
172.08844	7.7
175.11195	29.8
177.00708	2.5
177.05495	4.1
177.07390	10.1
177.08932	2.6
177.12679	16.3
177.13942	1.9
179.10658	11.2
187.11172	33.5
192.55569	4.1
193.12207	6.3
195.13811	2.9
205.04919	3.5
205.08545	2.6
205.12177	30.4
214.34361	1.9
223.06107	7.9
223.09636	3.9
223.13225	57.7
223.16626	2.5
225.04198	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	223.0963
Annotation	Diethyl phthalate
Peak:m/z	Relative Intensity
52.51917	0.2
55.01870	0.6
56.96545	0.3
59.10589	0.2
66.70921	0.2
71.11140	0.6
75.04482	0.6
78.90875	0.2
79.05500	0.7
91.05476	0.7
93.07049	0.8
103.05482	1.8
105.07044	0.5
107.04944	1.2
117.06985	0.3
119.04960	0.3
121.06499	3.5
121.10099	0.3
127.11890	0.2
131.04922	1.7
134.03671	0.4
135.08119	0.3
135.11685	0.2
135.44617	0.2
137.05988	1.0
139.07463	0.4
145.02797	0.5
147.04419	1.1
148.05185	1.1
149.02327	0.4
149.05991	9.6
150.06706	0.5
151.07605	0.3
159.04399	1.2
160.05193	0.7
161.05948	1.3
162.03159	0.7
162.06763	1.7
163.03868	0.7
163.07558	2.6
165.05493	2.0
167.06963	0.2
175.07587	0.5
176.04655	0.5
177.05472	54.2
178.06020	0.7
179.07054	0.6
180.07721	0.4
191.07060	4.9
192.07816	100.0
193.04996	2.1
193.08530	2.3
193.94125	0.3
208.07272	1.5
223.09653	26.3
225.04321	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	6-Hydroxyindolelactate
Peak:m/z	Relative Intensity
52.61301	0.4
55.01873	0.5
56.96573	0.8
67.05511	0.5
67.67058	0.5
69.57532	3.4
79.05486	0.8
80.13552	0.5
80.91139	0.4
81.07094	0.5
82.42854	0.4
85.02900	0.5
91.05508	1.1
94.06585	0.5
95.04934	0.5
95.08659	0.5
98.06120	0.5
98.97593	1.2
103.05457	0.7
104.04981	0.4
105.06990	0.6
106.06602	0.8
109.06512	0.5
115.05477	0.6
117.17164	0.5
118.06547	1.2
120.08109	11.7
130.06531	100.0
131.04912	0.5
131.06854	1.4
132.04457	17.1
134.06004	0.6
136.07568	0.5
148.07570	27.8
153.01801	1.2
158.06017	31.9
159.06314	0.6
176.07068	86.2
177.07381	1.3
183.26129	0.4
200.02776	0.5
204.06514	2.4
204.09900	0.5
222.05788	1.3
222.07678	6.0
222.11267	1.8
222.14778	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0761
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.05519	0.5
56.96602	0.3
65.26252	0.5
66.14400	0.4
68.75392	0.4
69.44533	0.8
69.44944	2.5
70.06593	0.9
87.88746	0.4
93.07030	0.6
95.01263	0.4
97.91286	0.4
98.97608	0.4
103.05485	0.5
106.06583	0.7
116.07074	0.6
118.06561	0.9
120.08103	11.9
121.06567	0.5
130.06532	100.0
131.06905	0.9
132.04459	16.9
134.05965	0.6
140.07069	0.7
146.06030	0.6
148.07574	28.3
149.07832	0.4
158.06013	29.9
159.06180	0.4
176.07074	87.7
177.07378	1.1
180.11938	0.3
204.04733	0.9
204.06586	1.8
204.10248	0.5
222.07608	6.4
222.11119	0.7
222.14841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00361	0.4
55.05513	32.8
56.96579	1.0
58.99586	1.6
59.05001	0.5
62.91863	0.5
69.45171	3.1
70.06594	0.9
76.02229	0.9
79.05486	0.5
81.07033	0.4
83.08624	49.0
86.99070	2.3
93.07053	0.5
95.04932	0.6
98.97573	1.0
101.09661	7.7
103.05494	0.8
105.00076	3.2
106.06580	0.6
115.05473	0.9
118.06658	0.6
120.08109	12.1
120.08922	1.0
122.02699	0.5
124.11214	0.6
130.06531	100.0
131.06865	0.9
132.04457	16.0
146.06017	0.8
148.07573	29.4
158.06017	31.0
163.76765	0.5
176.07072	90.0
177.07503	0.7
204.06618	0.9
205.08939	8.0
218.67967	0.5
222.07608	5.6
222.11452	1.7
222.14854	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	221.2014
Annotation	Deoxoangustifoline
Peak:m/z	Relative Intensity
55.05507	1.0
56.05028	0.7
56.96572	1.3
57.03430	0.3
58.06601	3.4
61.02935	0.4
67.05488	0.4
69.03430	0.6
70.06585	0.6
71.60183	0.3
72.08151	0.3
73.02925	0.6
79.05494	0.4
81.03386	0.4
81.07063	0.6
82.06586	5.5
84.08141	1.1
85.02907	0.9
91.05488	0.2
94.06588	0.2
96.08122	1.4
97.02912	0.7
98.09692	2.9
98.97591	3.9
99.04443	0.3
101.00885	0.7
106.06496	0.2
107.08569	0.3
110.09680	0.4
112.99129	0.3
116.98626	0.9
119.01884	0.5
119.08598	0.2
120.08080	0.4
122.09666	0.4
124.11236	100.0
125.11556	0.7
127.03905	0.5
130.06551	2.0
131.00140	0.4
132.04475	1.5
134.09674	0.6
136.11205	0.8
147.03078	0.3
148.11136	0.5
149.01172	0.3
150.12785	1.3
152.14297	0.2
156.97522	0.8
157.07588	0.8
158.06017	2.7
158.99718	0.3
161.01263	0.5
161.02827	0.2
161.12090	0.2
162.12823	0.3
163.02740	0.3
163.13576	0.4
164.14369	2.3
174.98628	0.4
175.08698	2.2
176.14368	1.7
177.00655	0.2
178.15907	0.9
179.02194	0.5
185.02989	0.7
198.98587	0.3
204.17497	4.5
216.99673	0.3
219.18518	0.5
221.04889	0.4
221.06961	0.3
221.09222	0.5
221.16545	0.6
221.20142	23.0
222.11166	0.3
223.06602	0.6
239.04291	0.4
244.27304	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1537
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03941	4.9
54.93955	1.8
55.01875	15.4
55.05514	36.5
57.03422	3.4
57.07064	7.1
59.04997	3.3
63.48064	1.7
67.05514	26.5
68.99780	7.4
69.03435	84.8
69.07071	16.1
70.88885	4.4
70.89228	2.2
71.04982	4.9
79.05048	2.4
79.05496	40.8
81.03402	7.4
81.07062	83.5
82.12086	1.5
83.04987	45.2
83.08631	12.6
85.06540	6.3
91.05483	28.6
92.65951	1.7
93.07059	26.5
95.01329	15.1
95.04973	29.0
95.08616	34.7
97.02911	3.0
97.06512	8.0
97.10139	5.3
98.97585	2.1
103.05482	3.0
103.14657	2.1
105.07034	27.4
107.04935	13.2
107.08601	20.1
109.06525	45.9
109.10162	43.6
110.07285	6.9
111.08084	27.3
115.05433	3.0
117.07013	6.2
119.04921	4.6
119.08590	52.1
121.06504	12.1
121.10148	36.9
122.07248	4.2
123.04427	4.5
123.08077	35.4
123.11729	4.6
124.11226	6.8
124.56995	1.8
125.05994	9.6
125.09612	9.4
128.06200	6.9
129.07063	4.6
131.08556	7.5
133.06491	4.9
133.10124	23.3
135.08075	8.7
135.11717	11.3
137.05984	52.0
137.09622	41.3
138.09457	1.8
138.10364	10.0
139.11208	4.1
142.07811	3.4
143.08566	5.6
145.10156	10.2
147.04376	2.2
147.08063	20.9
147.11664	7.7
149.02299	2.1
149.09593	6.2
151.07562	21.5
151.11169	4.6
151.14767	4.3
153.09073	4.3
157.10133	7.5
159.08015	3.7
159.11679	5.7
161.05965	5.2
161.09619	7.9
161.13246	12.0
163.11198	21.2
165.09102	7.9
170.10909	2.6
171.07999	2.4
173.06023	2.1
173.13208	2.3
175.07591	17.2
175.11179	9.3
175.14816	11.9
177.09091	9.8
177.12776	5.1
179.14301	3.1
185.13295	3.1
188.08368	4.0
192.15132	2.6
193.12236	5.5
193.15884	24.5
203.10677	74.6
203.14360	7.5
221.04463	4.7
221.11984	17.6
221.15375	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1538
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03928	4.9
53.72778	1.7
55.01870	10.4
55.05513	40.3
56.96553	8.4
57.03425	4.1
57.07069	9.3
59.04986	3.3
62.90109	2.0
65.03941	3.1
67.05511	29.4
67.51299	1.8
69.03432	79.3
69.07069	19.4
70.73160	4.5
70.73563	3.6
71.04980	4.4
72.46941	1.7
73.02907	2.0
73.12048	2.1
79.05499	45.6
79.63790	2.1
80.06278	2.2
81.03397	5.2
81.07060	80.5
83.04536	3.4
83.04984	38.1
83.08614	14.9
85.02882	3.3
85.06543	2.5
91.05482	27.2
93.06533	3.1
93.07050	28.2
95.01317	5.2
95.04977	16.5
95.08605	34.8
97.02882	3.6
97.06492	3.1
97.10173	3.3
98.20765	1.9
98.97567	6.8
99.08072	3.4
105.07027	33.1
107.04951	15.9
107.08600	28.0
109.06522	34.1
109.10165	48.5
110.07296	4.2
111.08077	29.2
115.05484	2.5
117.07000	8.6
119.04945	4.6
119.06013	2.3
119.08582	56.2
121.06481	10.0
121.09283	3.3
121.10137	39.7
121.92348	1.8
122.07272	6.0
123.08071	36.7
123.11687	6.1
124.11218	8.7
125.05988	2.4
125.09650	5.1
128.06206	4.7
128.98567	2.2
129.06999	3.8
130.07721	2.2
131.08572	5.4
133.06474	5.9
133.10133	27.0
135.08006	7.0
135.11739	13.0
137.04993	2.7
137.05991	52.0
137.09608	46.1
137.75380	2.0
138.10422	10.5
138.45355	2.1
139.11183	3.6
143.08569	3.3
145.06512	2.2
145.10133	13.2
147.04385	4.2
147.08046	20.4
147.11649	7.8
149.02342	13.4
149.09610	7.0
149.13313	2.4
151.07539	16.6
151.11201	3.7
151.14835	2.4
159.11676	5.8
161.05957	3.7
161.09648	10.0
161.13249	15.6
163.11208	23.0
165.09105	6.8
167.41223	1.9
170.10854	2.8
175.07430	2.1
175.11165	3.9
175.14835	11.0
177.09131	19.9
177.12720	5.0
179.10725	2.8
179.14355	2.5
184.05717	3.2
185.13281	4.2
189.05463	7.2
192.15054	3.3
193.15883	21.3
201.63728	2.2
202.04395	3.2
203.03340	2.4
203.10634	6.2
203.12601	2.0
203.14391	11.6
213.07993	2.2
219.01662	2.4
221.04439	6.4
221.08047	4.9
221.11920	3.5
221.15350	100.0
231.09058	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1174
Annotation	Flossonol
Peak:m/z	Relative Intensity
52.02977	0.7
53.04033	1.0
55.01686	1.9
55.01973	7.0
55.05311	4.0
55.05612	14.3
56.96641	1.6
57.03522	1.0
57.07183	3.0
59.05097	0.7
60.04114	0.7
62.65578	0.6
65.03738	0.7
65.04036	1.6
67.05218	1.8
67.05615	11.0
68.99498	1.4
68.99905	9.6
69.02898	1.0
69.03123	4.4
69.03544	27.5
69.07182	6.5
70.54423	1.9
70.54823	1.2
71.05101	3.7
71.08723	0.7
73.03002	1.0
75.69045	0.7
77.04031	1.2
79.05107	1.9
79.05613	16.7
80.06376	0.7
80.72399	0.6
81.03030	1.0
81.03536	8.5
81.06645	3.6
81.07176	32.2
83.05102	16.4
83.08733	3.8
85.02979	1.5
85.06169	0.7
85.06678	2.3
91.04970	2.0
91.05604	17.1
93.03513	1.0
93.07162	10.5
95.00805	1.8
95.01450	25.4
95.05089	23.7
95.08729	13.3
97.02909	5.9
97.06541	5.0
97.10278	1.9
98.97710	3.5
99.04527	0.9
103.05589	1.9
105.03473	1.1
105.07034	19.0
107.05078	8.0
107.08598	13.4
108.05835	1.1
109.02974	1.3
109.05838	1.0
109.06524	16.5
109.10157	15.7
110.07401	1.9
111.04530	0.8
111.08080	11.8
113.06076	1.6
115.05578	2.1
117.07000	5.2
119.05032	2.7
119.08588	32.4
121.06516	9.3
121.10156	13.0
122.07372	1.4
123.04443	9.0
123.08084	14.1
123.11813	2.6
124.11344	2.8
125.05991	15.7
125.09634	7.2
125.81838	0.6
127.07652	1.4
128.06332	2.7
129.07022	7.4
130.07866	1.5
131.05002	1.0
131.08563	6.1
132.05795	1.5
133.06479	5.0
133.10136	13.0
135.08061	5.4
135.11690	4.8
137.05980	25.3
137.09612	15.8
138.10411	3.9
139.11269	1.5
142.07800	4.6
143.08655	2.6
145.06569	2.7
145.10127	5.8
147.04474	2.3
147.08052	19.3
147.11679	6.5
148.05228	0.8
149.02495	1.0
149.09622	3.8
149.13287	1.1
151.03975	1.4
151.07539	6.4
151.11290	2.6
151.14883	1.4
153.09123	10.2
157.06551	1.2
157.10129	7.6
158.06160	0.8
159.08124	2.6
159.11783	1.8
160.08916	1.1
161.05980	7.7
161.09659	5.3
161.13242	5.7
162.06827	1.3
163.07574	2.0
163.11176	10.0
165.05556	2.2
165.09117	3.8
170.10934	1.1
171.08119	1.8
175.07556	28.0
175.11156	10.2
175.12480	0.8
175.14769	5.5
177.09137	5.4
177.12791	1.9
179.10724	1.5
179.14331	1.7
185.09692	1.9
189.05461	3.7
191.14386	0.9
192.15143	2.0
193.03839	1.1
193.08620	1.1
193.12221	9.1
193.15929	7.1
202.04404	1.7
203.10677	100.0
203.14441	2.3
204.11029	1.3
221.04428	4.6
221.08064	2.0
221.11804	32.4
221.15332	39.6
221.19989	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
50.53191	0.5
52.55381	0.5
53.03947	0.4
54.31207	0.4
54.41083	0.4
55.05512	1.7
56.05047	0.8
56.96562	1.9
58.06596	4.8
60.50879	0.5
67.05502	0.9
70.06583	0.9
71.20951	0.6
71.21273	0.7
72.08151	0.5
73.02936	0.6
74.02448	1.0
75.07710	0.5
77.03905	0.7
79.05471	0.6
81.07067	1.4
81.67591	0.4
82.02942	1.6
82.06585	6.1
84.08150	1.3
85.02885	0.9
91.05469	1.0
91.78449	0.4
94.06569	4.3
95.08675	0.5
96.08126	1.6
97.02917	0.7
98.09713	3.7
98.97588	7.2
101.00916	0.7
103.00652	0.7
103.05445	0.7
104.04957	1.0
105.07034	0.5
107.08585	0.7
110.09695	0.8
110.97598	0.9
111.08108	0.5
115.05447	1.1
116.98612	2.2
119.01884	1.3
120.08090	1.6
121.10096	0.7
124.11230	100.0
130.06529	67.0
131.06865	0.9
132.04451	41.4
136.11209	0.6
143.00203	1.0
146.06000	0.6
147.09172	1.0
148.07552	2.9
148.11221	0.7
150.12769	1.5
153.01846	0.9
156.06836	0.6
156.97563	2.6
157.07619	27.1
158.06013	75.5
159.06371	1.0
161.01218	0.9
161.13251	0.5
164.14348	3.4
174.98537	2.0
175.08669	96.4
176.07051	1.8
176.09119	0.7
176.14302	1.6
178.15938	1.2
185.02966	1.9
186.05455	2.3
193.08934	0.6
193.15836	0.5
198.98625	1.3
203.02234	0.5
203.03973	0.8
203.08177	4.0
204.06592	4.1
204.17406	4.6
216.99582	1.6
219.18588	0.8
221.04646	2.1
221.09218	17.6
221.20128	25.9
239.04250	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12791	51.1
54.23845	45.6
64.80481	47.2
68.89714	48.6
70.76973	100.0
70.77306	63.9
75.97289	46.0
90.49239	51.6
106.56246	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	221.0921
Annotation	7-hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
53.03907	0.7
55.01843	0.7
55.05465	1.9
56.04987	0.6
56.96561	2.6
57.07034	1.1
58.06570	1.2
58.06819	0.6
67.05457	1.7
68.29787	0.5
69.03398	1.1
69.07035	1.4
70.06592	4.1
71.04958	0.7
71.59836	0.5
71.60246	0.8
77.03899	0.8
79.05444	1.8
81.03399	0.9
81.07064	4.4
81.61275	0.5
82.02900	1.8
82.06570	0.8
83.04928	0.6
83.08553	1.3
85.02876	1.2
91.05463	4.5
91.35966	0.5
93.07003	1.6
94.06574	4.0
95.01310	0.7
95.04925	1.5
95.08570	2.1
96.08112	1.5
97.02875	1.5
98.09636	1.8
98.97568	3.0
99.08057	1.2
103.05453	0.9
105.06992	2.3
105.07655	0.6
107.08639	1.2
109.02858	0.9
109.06493	0.7
109.10129	1.5
111.08097	3.0
115.05445	1.9
116.07088	2.6
116.98587	0.9
119.04942	1.3
119.08576	2.0
121.06522	3.1
123.04410	0.9
123.08079	1.1
123.11636	0.8
124.11237	6.7
124.83114	0.6
127.07053	1.4
129.07040	0.8
130.06534	50.9
131.06863	0.6
132.04457	38.3
133.02829	1.8
133.04820	0.6
133.10103	1.7
135.08017	0.7
137.05956	1.9
137.09645	1.5
146.06108	0.6
147.04437	3.1
147.06355	0.8
147.08072	0.9
147.09155	1.2
147.11711	0.7
148.07631	1.2
151.07468	0.6
153.01848	1.0
153.09128	1.3
157.07622	22.0
158.06023	76.8
159.06348	0.8
161.01176	0.7
161.02399	1.4
161.06000	1.8
161.09592	0.7
162.05583	0.6
164.14357	0.7
165.01823	0.6
165.05537	1.1
165.09116	1.2
175.03912	1.5
175.08681	100.0
175.14787	1.7
176.07088	2.4
176.09100	1.1
176.14275	0.5
177.00601	0.6
177.14700	2.1
179.03391	2.1
186.05591	1.5
189.01938	0.6
191.08641	0.6
193.03320	1.3
193.05023	1.9
193.15916	1.8
194.04553	1.0
203.03456	2.1
203.08286	1.8
203.18109	0.8
204.06584	4.0
204.17514	0.7
206.16232	1.5
221.00896	1.6
221.04483	12.6
221.09293	20.1
221.11676	0.8
221.13660	13.4
221.15518	1.5
221.18327	1.3
221.20213	1.7
222.09525	0.9
222.14978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.1332
Annotation	Darlingine
Peak:m/z	Relative Intensity
53.03930	0.4
55.05511	0.8
56.05033	0.5
56.96563	0.8
57.07058	1.2
67.05486	1.0
69.03413	0.9
69.07073	1.0
70.06587	0.7
70.18301	0.7
70.18690	0.8
71.04943	0.3
72.04520	0.7
72.08134	0.8
73.02913	0.6
79.05486	0.9
81.05773	0.5
81.07021	0.8
84.04494	0.6
85.02919	0.7
85.06530	0.7
90.05558	5.3
91.05498	1.0
94.06564	1.0
95.04958	0.7
96.07546	0.6
96.08132	8.9
97.02905	0.6
98.02436	0.5
98.97575	1.1
101.00803	0.3
103.07522	0.4
105.07056	0.7
109.02838	0.4
109.06484	0.4
115.85280	0.4
116.03452	1.0
116.98613	0.3
117.06979	0.4
118.02876	0.6
119.04956	0.4
119.08582	0.9
120.08069	0.9
120.08840	0.3
121.06523	0.5
121.08845	0.5
122.09666	0.5
122.10474	0.3
123.36998	0.3
124.07597	1.0
124.11221	0.3
128.98555	0.4
129.06969	0.3
130.06535	2.7
131.08565	0.4
132.04471	2.0
132.08086	0.6
133.06563	0.3
133.08800	0.4
134.09668	1.8
135.10423	1.6
136.07581	0.4
136.11179	0.4
139.05122	0.5
145.08815	0.3
145.10132	0.7
146.02357	1.5
146.05984	2.6
146.09624	1.8
147.04379	0.5
147.06340	0.5
147.10414	0.6
148.07590	0.5
148.11229	1.4
150.09094	1.7
150.50809	0.4
157.07596	1.1
158.06023	4.0
159.10455	0.5
159.11684	0.4
160.07568	0.8
160.11177	2.1
161.12022	1.9
163.37875	0.3
164.10724	1.2
165.11542	0.5
172.11218	0.3
174.01796	0.6
174.05402	0.4
174.09125	1.3
174.12776	4.9
175.08702	4.9
175.13586	0.8
176.10709	1.3
176.14349	19.9
177.12701	0.6
178.08597	0.3
184.09717	1.0
184.11259	0.4
187.09877	0.7
191.10704	0.6
192.02911	17.6
192.06491	2.0
192.10170	4.2
192.13826	0.6
201.78223	0.3
202.10646	1.2
202.12299	1.7
204.14673	2.0
205.15891	6.9
218.42943	0.3
220.02415	8.0
220.06093	1.3
220.13336	100.0
220.17799	9.0
221.00812	0.6
221.04428	1.2
221.09297	1.5
221.13582	1.0
235.38330	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Pantothenic Acid
Peak:m/z	Relative Intensity
53.04532	0.4
55.01882	0.6
55.05495	1.6
56.01392	0.5
56.05026	0.5
56.96556	1.7
57.07080	4.6
58.13590	0.3
59.04990	2.0
63.02378	0.9
67.05499	3.5
68.99782	0.4
69.03414	1.1
69.07070	3.5
69.67915	1.0
69.68329	1.3
70.02956	3.1
70.06597	0.8
72.04514	7.2
73.02904	1.8
74.02441	0.8
74.06080	1.2
79.05486	0.7
81.07047	0.6
83.04983	0.6
84.04488	0.8
85.02885	1.2
85.06548	5.0
86.09699	0.6
86.45499	0.4
87.08092	1.0
90.03442	1.6
90.05554	48.5
91.05478	0.7
93.07047	0.4
95.04980	3.6
96.08129	5.3
97.02882	1.3
98.02416	7.6
98.97578	1.8
100.03976	1.3
103.07576	3.8
105.07028	1.0
107.08559	0.5
109.02895	0.7
113.06001	1.7
116.03450	7.0
116.98627	0.7
118.02916	5.0
119.04935	0.6
119.08553	0.5
120.06591	0.7
120.08025	0.5
121.06479	0.6
124.07594	9.3
125.83429	0.4
128.98621	0.5
131.06956	0.4
131.08507	0.5
134.09677	1.3
134.78639	0.4
135.10410	1.1
142.08655	4.3
145.10063	1.2
146.02376	10.6
146.09624	1.4
147.04453	0.5
148.11182	0.8
150.09154	0.5
153.01793	0.8
156.10240	0.8
157.03285	0.4
160.09669	0.7
160.11198	0.7
161.09642	0.5
161.12001	1.2
164.03368	0.5
164.10703	1.3
166.08618	1.1
174.01837	4.2
174.05544	0.5
174.09200	0.7
174.11250	1.1
174.12791	2.4
175.07530	0.9
175.13475	0.9
176.10791	0.6
176.14348	11.1
177.12730	0.7
181.04944	2.1
184.09703	9.3
191.10664	1.3
192.02914	100.0
192.10106	2.2
192.13759	0.8
193.03255	1.8
197.54517	0.4
202.05008	0.5
202.08789	0.9
202.10699	14.5
202.12325	2.9
202.19115	0.4
203.10626	0.6
204.14607	1.9
205.15871	7.4
220.02415	48.6
220.06015	2.5
220.11714	8.3
220.13336	40.9
220.17798	9.3
220.20122	0.7
221.04507	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.118
Annotation	Sodium pantothenate
Peak:m/z	Relative Intensity
54.45507	0.7
57.07071	6.5
59.05008	5.4
63.45673	0.8
67.05505	5.6
69.07072	4.5
69.73101	3.8
70.02961	7.2
72.04135	1.2
72.04522	18.3
73.02924	5.1
81.07083	1.0
85.06549	12.2
86.09710	1.3
87.08118	1.1
89.60782	0.7
90.05558	100.0
95.04969	8.3
96.08150	3.1
98.02425	17.8
100.03977	3.0
103.07589	6.0
112.07589	1.0
113.06010	3.6
116.03461	13.1
124.07598	18.1
131.07112	0.8
142.08650	8.0
144.34955	0.9
160.09714	1.4
163.98830	0.8
166.08643	2.3
166.91458	0.7
174.11273	2.1
176.14381	1.8
184.09689	20.5
192.02921	3.4
202.10747	26.3
205.16013	2.4
220.02425	0.8
220.11835	23.4
220.13489	8.2
220.17921	2.3
239.38681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00703	1.7
55.05303	2.1
55.05513	25.9
56.96551	3.3
57.03430	2.1
57.07063	5.1
65.03915	2.2
67.05506	61.4
69.07064	13.3
71.04999	22.5
79.05483	7.5
79.38352	1.8
81.07063	55.5
83.08626	28.8
85.06546	15.5
91.05489	11.8
93.07034	6.7
95.04927	2.0
95.08609	100.0
96.64926	1.7
97.10159	8.0
98.97583	5.3
99.08079	5.7
103.05464	1.8
105.07027	5.2
107.04999	1.7
107.08594	4.4
109.10162	73.7
113.51942	1.9
115.05458	5.1
116.06255	2.6
116.98608	2.0
117.07008	3.6
119.08585	6.0
121.10146	4.8
123.11719	13.8
127.52730	1.9
128.06226	5.4
129.07033	19.9
131.04927	5.2
131.08586	20.6
133.10139	6.6
133.72737	1.9
135.08034	2.7
135.11717	2.3
136.93085	2.6
137.13258	2.8
141.07005	16.2
144.05722	4.1
145.06439	4.3
145.10118	5.3
146.07239	3.1
149.09517	1.9
154.94171	2.2
157.06523	8.3
158.07277	9.2
159.04434	2.4
159.08072	17.9
159.11694	5.8
160.05212	4.5
161.09633	3.7
161.13255	3.6
165.16399	6.8
169.06496	4.6
170.07368	2.5
173.06059	3.9
173.13330	2.7
174.06769	34.0
175.07516	8.0
183.17442	14.0
186.06725	6.4
188.08276	2.1
189.09100	43.9
191.10725	3.6
201.09117	20.6
203.14345	14.1
219.06676	2.4
219.10194	46.2
219.13783	8.2
219.17427	52.2
229.06458	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1745
Annotation	(-)-Taylorione
Peak:m/z	Relative Intensity
55.05513	10.6
56.96548	4.1
57.07053	3.2
67.05503	12.2
69.03429	1.5
69.07072	9.3
69.56028	9.7
69.74908	1.1
70.06576	2.5
71.04996	10.4
79.05501	13.9
81.07061	31.7
83.04967	5.0
83.08617	1.4
88.07618	3.4
91.05492	26.8
93.07050	24.9
95.04965	2.3
95.08616	14.2
97.06544	6.8
97.10155	2.5
98.42957	1.2
98.97590	7.5
103.05462	2.7
105.07037	71.6
107.08596	19.3
109.06513	1.9
109.10161	9.6
111.08073	16.6
115.05473	3.5
116.98617	3.1
117.07030	9.8
119.08580	18.9
121.06496	4.8
121.10143	17.9
123.08063	3.3
123.11705	4.6
125.09647	18.3
128.06201	5.3
129.07021	14.3
130.07793	3.4
131.04916	3.4
131.08575	29.1
133.10138	100.0
135.08034	4.4
135.11681	6.0
137.05972	1.5
137.09615	2.7
139.11237	1.6
141.06992	11.4
143.04886	2.0
143.08557	3.8
144.05646	3.1
145.06487	3.5
145.10135	21.7
146.07243	1.3
147.08028	1.8
147.11700	14.0
149.09647	2.6
149.13246	2.5
154.93170	1.9
157.06461	4.4
157.10118	2.2
158.07283	5.6
158.10925	2.3
158.99661	2.2
159.08089	9.5
159.11700	18.4
160.05232	1.7
161.09602	4.2
161.13280	12.8
163.07565	1.3
163.11191	5.2
169.06442	3.0
170.07332	2.2
172.94154	2.9
172.95425	1.8
173.05984	2.9
173.09642	2.9
173.13280	6.1
174.06784	22.5
175.07504	3.9
175.14851	3.5
177.09094	2.6
177.12701	2.4
177.16443	2.1
186.06741	4.4
187.07523	1.6
189.09109	24.8
189.12775	4.0
190.95346	2.9
191.10635	2.8
191.17941	2.4
201.09102	10.5
201.12769	1.3
201.16374	15.5
201.20453	2.2
203.14320	12.9
204.15118	6.1
219.02966	1.8
219.06673	2.3
219.10168	32.2
219.13866	5.7
219.17442	99.7
219.21449	27.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
53.03927	1.1
55.05509	6.3
56.96561	2.6
57.03421	1.6
67.05157	1.1
67.05506	15.2
68.99756	0.9
69.07055	3.2
69.88024	4.5
71.04996	5.2
71.08614	1.0
79.05483	2.1
81.07059	16.6
83.04987	1.1
83.08615	7.2
85.02902	0.8
85.06548	4.2
85.36555	0.7
87.97897	0.8
91.05483	13.0
92.91640	0.8
93.07037	2.2
95.08042	1.4
95.08611	23.5
97.10175	1.5
98.97578	2.9
99.08083	1.5
103.05449	2.4
105.07017	3.6
107.08602	1.9
109.06475	1.1
109.10155	19.3
111.04440	0.8
115.05457	10.0
116.06246	5.9
117.07026	4.2
119.08575	3.2
121.06522	0.9
121.10141	2.5
123.08072	0.9
123.11707	4.9
128.06233	10.3
129.07007	41.3
130.07750	3.1
131.04926	8.7
131.08571	40.3
133.06448	0.9
133.10109	2.9
135.08076	1.4
137.05995	5.2
140.67578	0.7
141.06990	35.0
143.04901	2.3
143.08524	2.6
144.05714	7.9
145.06464	8.4
145.10147	2.0
146.07309	5.3
147.08080	1.6
148.05168	1.2
149.06105	0.8
154.94215	1.4
155.06055	1.4
157.06496	20.8
158.07291	22.5
159.04414	3.1
159.08052	27.5
159.11685	2.7
160.05217	5.2
161.05956	1.3
161.09589	4.0
161.13206	1.4
163.07556	3.7
165.16443	1.0
168.05675	1.2
169.06453	11.6
169.07672	1.4
170.07278	7.4
171.04404	1.1
171.07993	1.3
173.05992	5.3
173.09647	1.6
173.13258	1.1
174.06766	72.8
175.07535	11.3
177.09209	1.2
183.17467	4.0
185.06003	1.4
186.06769	19.7
187.07539	3.2
188.08337	4.6
189.09108	94.7
190.09523	1.2
191.07002	1.7
191.10667	6.4
201.09106	36.3
202.09381	1.0
203.14342	5.9
219.10168	100.0
219.13742	3.9
219.17427	18.6
220.10461	1.2
238.31715	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1017
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05516	2.5
56.96544	1.8
59.91177	1.4
65.03936	1.2
67.05502	1.9
69.03394	1.7
69.07079	1.4
69.73873	3.9
69.74285	3.2
70.38742	1.2
72.34200	1.0
79.05476	3.2
81.07059	2.8
83.04984	1.6
91.05482	16.5
93.07034	3.0
95.04968	2.6
95.08613	3.2
97.75123	1.2
98.97575	3.1
103.05474	3.0
105.07024	6.6
107.08601	2.5
109.06532	1.8
111.04487	1.8
115.05456	11.2
116.06242	6.0
116.98602	1.9
117.06992	4.7
119.08614	6.1
121.06525	1.4
121.10178	5.7
128.06227	13.6
129.07013	48.0
129.39923	1.3
130.07761	4.5
131.04921	7.7
131.08569	43.9
132.05688	1.9
133.10081	3.3
135.04398	1.3
135.08087	2.2
137.05977	2.9
141.06998	34.3
143.08543	2.8
144.05702	7.7
145.06506	10.1
145.10117	3.5
146.07262	4.9
147.11720	1.5
155.05988	1.6
155.08545	1.2
157.06505	22.3
158.06071	1.8
158.07294	22.6
159.04401	2.4
159.08055	29.7
159.11734	4.1
160.05185	5.9
161.06053	1.7
161.09537	5.6
161.13202	2.2
163.07526	1.7
169.06476	16.3
169.07671	1.9
170.07231	7.2
171.08000	1.9
173.06018	5.7
173.09734	2.4
173.13248	2.2
174.06770	77.4
175.07509	13.5
175.14632	1.4
177.09070	1.4
186.06752	20.0
187.07545	5.2
188.08307	3.7
189.09114	94.0
191.03467	2.6
191.06976	2.5
191.10672	7.4
201.09099	38.5
203.14345	14.2
219.02824	3.5
219.10164	100.0
219.13783	3.6
219.17418	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	217.1223
Annotation	8-Norlactaranelactone
Peak:m/z	Relative Intensity
53.16710	0.5
55.05516	10.0
56.96559	0.5
59.04995	1.1
67.05496	1.2
69.03413	0.8
69.07052	1.0
71.60735	0.5
71.61138	0.6
73.02908	0.6
77.76073	0.5
79.05486	0.7
81.07047	1.4
83.04984	15.2
83.08604	1.0
83.87437	0.5
85.06532	0.9
87.04472	2.0
89.02385	1.5
89.06030	1.9
91.05465	1.1
93.07075	1.0
95.08602	1.9
99.04436	1.1
101.06027	4.6
105.07043	2.2
107.08585	1.9
109.10135	0.8
111.03677	1.2
111.04443	20.8
113.06001	2.3
115.05437	0.7
117.07038	0.9
119.08566	2.4
121.10143	1.7
127.07594	2.7
128.06213	0.9
129.05473	3.6
129.07007	2.2
131.08575	3.9
133.10106	1.7
141.06979	1.2
141.24284	0.6
142.07784	4.9
143.08568	5.5
145.10156	1.6
147.07986	0.7
147.11681	1.3
155.07042	26.0
155.08363	1.0
157.06476	1.3
157.10147	3.8
158.07259	1.0
159.08061	16.8
159.11682	2.0
170.07295	0.9
171.08069	9.1
172.08820	2.7
173.08098	14.2
173.09621	5.1
173.13223	0.9
174.10463	1.6
185.09637	2.3
186.10410	29.6
187.07558	29.2
199.09654	1.8
199.11320	0.6
199.14799	1.3
201.08989	0.6
202.09895	89.7
203.10236	1.2
217.10828	8.3
217.12300	100.0
217.15797	4.2
218.12561	1.5
228.71275	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	1.3
58.40843	0.6
58.41151	0.7
60.75055	0.6
63.94720	0.7
70.04516	2.0
70.04914	1.0
74.44000	0.7
83.04973	2.3
83.84330	0.6
101.00903	2.0
101.06016	0.8
111.04453	2.9
119.01890	3.5
124.12193	0.7
138.96413	15.5
146.08115	0.9
155.07036	3.8
156.97481	100.0
157.97552	1.5
164.51329	0.9
170.99083	1.7
171.01411	1.6
171.04855	0.8
173.08118	1.4
174.98543	55.3
179.99049	1.3
180.97495	2.2
189.00113	1.2
194.00694	1.0
194.02992	1.2
198.98538	47.0
216.96227	2.4
216.99596	80.6
217.10640	1.3
217.15533	0.8
217.99876	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0685
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.7
55.05513	18.4
56.05034	9.4
56.61742	0.8
56.96566	1.0
57.03442	1.0
57.05362	1.4
58.99577	1.1
59.04999	1.2
60.05648	0.9
61.02914	0.8
67.05512	1.9
68.05034	7.0
69.03437	2.2
69.05359	1.8
69.07048	1.2
69.31654	7.3
70.06599	9.0
71.04990	1.9
72.08159	3.6
73.02905	1.2
74.02446	1.1
74.06075	4.4
76.04008	7.2
77.04357	0.9
80.05025	4.0
82.06583	4.5
83.04987	27.6
83.06913	1.0
83.08620	1.3
84.04509	70.6
84.08150	2.6
85.02902	4.7
85.04271	1.3
85.04828	14.3
85.06542	2.0
86.06082	1.6
87.04467	3.5
89.02408	2.8
89.06040	5.6
95.04941	0.9
96.04508	5.1
96.08143	2.3
97.02906	1.1
97.04828	1.2
97.08950	4.2
98.05422	0.8
98.06059	16.4
98.09167	1.0
98.09712	2.3
98.20776	1.8
99.04476	2.4
99.06390	3.7
101.00892	3.6
101.06016	11.6
102.05560	2.1
103.02465	1.1
106.56871	1.3
108.04490	4.0
109.04808	1.6
110.09694	3.4
111.04453	43.0
111.08029	0.8
111.10049	1.1
111.41757	0.9
113.06039	5.0
114.05534	3.0
116.07098	8.9
119.01906	5.3
119.07508	3.5
119.57665	8.0
120.07317	1.6
122.26649	0.8
124.11238	100.0
125.11576	54.1
125.12531	1.3
126.09198	1.4
126.11916	1.3
127.07550	5.1
129.05496	7.4
129.06923	0.9
130.05009	10.5
131.01898	1.0
131.05388	2.0
133.07242	10.2
133.08160	1.0
133.57391	29.8
134.07062	3.5
134.58212	1.0
136.03937	2.2
137.04324	1.0
137.06004	1.2
137.10770	1.8
138.09190	1.8
142.05009	2.2
143.05310	0.8
143.65237	0.8
145.03459	6.5
146.73724	0.8
147.58482	1.2
148.08636	2.4
154.08574	1.3
155.07037	51.6
156.07312	1.6
156.08459	16.1
156.57710	3.7
156.97466	1.3
157.08762	8.9
158.08038	5.9
158.10054	5.5
159.05113	0.9
159.10381	4.2
160.09612	2.6
162.08481	2.7
162.58118	1.2
163.04567	2.3
171.01471	1.3
171.08969	0.9
172.09792	1.5
173.03055	1.0
173.08109	34.0
184.58545	0.9
185.08737	12.9
185.58557	3.8
189.02472	1.3
189.06015	1.2
194.09454	0.8
197.11084	7.3
198.11427	9.4
199.04399	1.0
199.09468	1.7
199.11050	1.8
199.69635	0.9
200.09135	0.8
208.08954	4.6
216.99825	1.2
217.06882	38.0
217.10645	25.0
217.12433	1.8
217.19559	0.9
218.10236	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.0
56.96560	0.6
57.07094	3.1
61.31079	0.6
67.05514	4.5
69.07065	3.2
70.50220	2.1
74.09722	1.8
75.68363	0.5
76.76332	0.5
77.03928	0.7
79.05507	3.8
81.07068	6.7
83.08604	1.3
90.94808	0.8
91.05492	6.1
91.29595	0.7
93.07056	8.2
93.51237	0.6
95.08038	0.8
95.08610	9.3
98.98467	1.6
105.07039	10.1
107.08602	11.8
109.10164	5.6
115.05391	0.9
117.07021	6.7
119.08594	18.0
121.10159	8.7
128.06248	0.6
129.07027	1.7
130.07796	2.1
131.08571	15.0
132.95840	3.2
133.10143	6.2
135.11716	1.9
139.01649	1.4
142.07764	1.0
143.08612	1.9
144.09291	2.5
145.06477	0.6
145.10138	27.2
147.11711	3.2
150.96901	4.6
153.07141	0.6
155.08592	0.9
157.10143	4.3
158.10907	0.9
159.08080	1.4
159.11708	31.1
167.08498	1.0
169.10138	1.9
171.11703	2.8
172.12497	1.4
173.09697	1.4
173.13287	13.0
173.14688	0.4
182.10880	0.9
185.13239	2.1
186.14021	1.3
187.14806	5.6
191.97159	0.8
197.13243	2.0
198.11302	0.7
200.15633	0.9
215.14413	6.0
215.17969	100.0
215.25676	1.7
216.12215	0.7
216.18170	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.1643
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
52.91689	3.7
55.05517	30.2
56.96553	6.4
56.99665	3.6
57.03437	3.9
57.07064	4.5
58.77068	3.7
67.05505	33.0
69.07066	32.5
70.09764	7.8
70.10141	12.2
71.04990	15.2
79.05492	23.4
81.07058	78.2
83.08622	19.3
85.06551	17.5
87.23318	3.8
91.05486	24.5
93.07051	29.6
95.08608	100.0
95.23583	3.6
97.06509	25.2
97.10194	4.4
98.20727	4.4
98.97605	4.4
99.08097	11.4
105.07026	31.4
107.08589	14.0
109.10199	9.7
111.08117	4.7
117.07014	4.0
119.08573	38.8
121.10142	13.9
123.08068	5.9
131.08580	9.3
132.95854	14.0
133.10124	29.0
135.11685	12.6
137.13242	14.3
145.06429	4.9
145.10104	10.6
150.96892	14.4
157.10095	8.6
159.08147	5.2
159.11693	7.9
161.13268	61.9
169.10104	4.5
173.09604	6.1
179.14264	24.3
191.97102	4.0
197.15433	5.6
202.09941	4.2
215.07082	8.5
215.10762	9.2
215.14313	14.2
215.18053	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	214.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06835	0.4
53.03941	0.4
55.05509	1.8
56.05033	3.3
56.96571	0.9
67.05508	6.3
69.03414	0.4
69.07056	0.7
70.06602	3.2
71.05000	1.6
71.60870	0.5
74.59590	0.3
79.05464	0.5
81.07065	1.6
84.08144	100.0
85.02911	0.4
85.08506	0.4
91.05521	0.3
96.51447	0.4
97.02915	0.4
97.08928	1.4
98.09681	3.2
98.97585	2.2
109.06509	0.4
109.10165	2.4
116.98639	0.4
126.12795	83.8
144.13837	6.4
158.99670	0.4
186.05576	0.4
196.17024	0.5
213.57947	1.3
214.08539	1.8
214.18021	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	214.1074
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
53.03938	0.9
55.01862	1.5
55.05497	2.0
55.40383	0.6
56.05025	1.0
56.96561	3.6
57.03426	1.8
60.95842	0.7
67.05505	4.8
69.03415	1.9
69.07040	1.4
71.04959	0.8
71.37782	1.2
74.23726	0.6
79.05489	7.3
81.05762	0.7
81.07069	5.7
82.06581	11.8
83.04979	1.3
84.04506	0.7
84.08131	3.1
85.02888	0.9
90.43684	0.7
91.05467	3.7
92.05804	0.8
93.07038	3.1
94.06576	6.7
95.04948	2.4
95.08585	4.0
95.09580	0.8
96.08131	6.1
97.02872	1.0
98.60149	0.8
98.97005	1.1
98.97585	17.0
105.07024	8.9
106.06591	1.0
107.04937	0.8
107.07333	1.8
107.08587	14.0
107.48420	0.8
108.08118	2.8
109.06511	1.8
109.10147	1.6
110.06044	9.8
110.09672	0.9
110.97565	1.1
111.06814	1.8
112.07593	1.5
116.98634	6.3
117.05778	0.9
117.07009	1.3
118.07457	0.7
121.06507	0.9
121.10127	1.9
122.06026	1.7
122.09668	14.3
123.06780	1.1
123.08072	8.8
124.07593	58.8
124.11182	2.5
125.05946	0.8
125.08375	2.1
125.09652	0.9
126.09154	14.1
128.98624	1.7
131.08575	4.5
132.08052	1.5
132.95770	1.1
133.06480	4.6
134.99670	1.2
135.08052	4.6
136.07523	4.3
138.09140	35.2
139.09940	1.1
140.07030	2.8
140.10730	4.5
145.10080	1.2
145.65530	0.7
146.99594	1.5
147.11674	1.0
149.04710	2.5
149.09589	2.0
150.09135	24.1
150.96902	1.0
151.07552	3.5
152.10721	3.8
154.08627	23.9
158.99721	4.8
160.07602	3.1
161.06000	2.6
163.11154	1.2
164.06967	0.8
167.05779	1.2
167.10718	1.5
168.10201	48.6
168.13835	2.3
169.08603	1.2
169.79997	0.7
177.00739	3.8
178.08627	21.4
179.06953	2.2
181.54047	1.1
190.54655	0.8
191.10715	1.5
196.09694	40.1
196.13322	13.1
199.02791	0.8
204.69211	0.8
209.11725	2.1
214.10727	100.0
214.14323	8.6
217.03818	0.9
218.03201	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	214.1075
Annotation	alpha-Allokainic acid
Peak:m/z	Relative Intensity
53.03948	1.0
55.01865	0.9
55.05492	1.5
56.05039	4.8
56.96553	2.0
57.03429	3.1
57.07078	10.1
59.04988	1.0
62.06071	2.4
65.03939	1.4
67.05507	27.2
69.03423	2.5
69.07054	1.5
69.57498	3.3
69.57915	1.6
70.06593	3.5
71.04981	1.9
78.91725	0.6
79.05504	5.9
80.69783	0.6
81.07056	9.0
82.06582	1.1
84.04508	74.8
84.08137	2.0
85.02897	1.7
85.06546	60.6
91.05466	3.0
92.05798	0.8
93.07024	1.1
94.06509	1.0
95.04974	4.7
96.04479	2.7
96.08127	2.4
97.02922	1.2
97.06501	1.6
98.06060	8.6
98.97601	4.9
100.07626	1.4
105.07054	1.6
106.07379	1.7
107.04958	1.9
107.08601	2.1
108.08927	2.7
109.06519	8.3
109.10161	2.3
111.08070	1.6
112.07580	2.2
116.98589	1.9
120.08920	1.6
121.06540	1.0
121.10168	1.2
122.09630	1.7
122.10488	2.2
124.07607	9.5
125.05987	1.2
125.09682	0.8
132.08928	1.2
132.95837	1.5
133.10094	0.8
135.04353	1.2
136.07527	0.8
136.08435	0.8
140.10707	31.9
141.00000	1.1
141.05240	1.1
142.06531	0.8
150.09114	2.3
150.10081	1.5
150.96884	2.3
153.05463	1.9
153.09100	1.9
158.02728	0.9
158.99635	1.6
168.10207	100.0
169.07632	1.8
177.00729	1.6
178.08559	1.0
181.93901	0.8
185.02716	0.9
186.09734	0.9
186.11232	5.8
196.09702	1.4
196.13248	1.0
197.08139	1.6
197.11729	0.9
214.07025	7.4
214.08711	4.6
214.10548	16.3
214.14505	2.0
215.05678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77427	0.5
55.01875	0.5
55.05510	2.1
56.96560	0.5
56.97747	0.5
57.07077	0.7
67.05488	0.8
69.07066	1.4
70.49523	1.0
79.05491	0.8
81.07065	1.1
83.08611	0.7
88.07631	1.8
91.05460	1.1
93.07037	1.2
95.08632	1.1
98.97562	0.6
105.07043	1.6
107.08583	1.1
109.10208	0.5
115.05453	1.2
117.07034	0.7
119.08578	2.6
128.06226	12.7
129.07063	3.1
131.08629	0.8
139.03922	0.6
141.06982	1.4
142.07787	3.8
143.08568	98.3
144.08981	1.0
145.10132	1.0
154.06274	3.4
155.06039	1.2
155.08563	1.2
156.09377	3.0
157.10135	13.4
167.07115	0.8
169.08644	0.7
169.10178	0.8
170.10925	1.2
171.08000	0.6
171.11697	10.7
183.11736	1.3
184.12538	1.2
185.13235	2.3
198.10460	0.6
198.14110	2.1
213.12952	2.4
213.16393	100.0
214.16635	1.1
216.17824	0.5
223.17387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
52.97754	1.3
53.03935	4.1
55.01862	3.2
55.05500	2.8
56.96556	3.5
57.03424	2.7
57.24907	1.4
60.11434	1.5
61.02927	1.5
65.03915	3.1
66.25493	1.3
67.05496	5.8
69.03413	5.9
69.07047	1.9
70.06601	2.1
71.04979	4.1
71.61008	1.4
72.08167	1.5
78.04688	2.4
79.05114	1.9
79.05494	24.5
81.03416	2.1
81.07050	8.6
83.04976	2.4
85.02881	2.2
85.06509	1.7
88.07651	2.9
91.05481	21.6
93.03384	3.2
93.07045	17.1
94.04186	2.0
95.04961	6.2
95.08584	4.2
97.02885	5.5
97.06547	3.8
98.97575	10.8
99.04441	4.2
103.05482	8.3
105.07034	20.7
106.04155	1.8
107.04955	70.3
107.08594	56.1
109.06500	6.1
109.10168	2.8
110.01223	1.5
110.03634	6.0
110.36726	1.4
110.97568	1.9
111.04432	6.0
111.08057	4.3
115.05479	4.9
116.98608	4.3
117.07005	6.3
118.27591	1.4
119.04956	1.7
119.08578	29.2
120.05672	2.1
121.06494	6.4
121.10138	26.9
123.04423	7.2
123.08083	5.4
124.05209	2.7
125.05994	15.3
125.09600	6.8
127.07562	2.5
131.04900	2.8
131.08578	13.5
133.02849	2.8
133.06493	2.7
133.10135	3.3
135.04401	9.9
135.08054	28.9
137.06000	3.4
137.09631	2.2
140.04729	6.8
145.07635	1.9
147.04391	1.9
147.08043	12.7
148.97388	1.8
149.05969	6.3
149.09624	43.2
150.03091	2.8
151.03911	26.0
151.05043	2.5
151.07486	3.3
151.11162	1.6
152.04674	2.5
153.01849	10.4
153.05466	6.3
153.09132	7.2
154.06233	2.4
155.07024	3.8
158.99637	3.0
159.08026	6.4
163.03922	5.6
163.07535	27.3
165.05476	8.8
165.09081	11.4
167.03378	3.0
167.07060	100.0
167.10666	5.5
168.07370	1.3
168.10237	1.6
176.25858	1.4
177.00754	2.3
177.05473	4.9
177.09109	45.3
180.07835	3.6
181.01372	5.3
181.06274	13.0
190.06732	1.9
195.06505	5.6
195.10152	27.0
199.06548	1.8
213.06580	16.3
213.11201	68.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1121
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03954	1.0
55.01868	1.7
55.05491	1.5
56.96545	2.1
57.03431	1.6
59.04988	1.5
61.02908	0.7
65.03931	1.1
67.05506	3.3
69.03430	3.9
69.07071	1.6
69.53624	2.5
69.54061	3.1
70.06596	1.0
71.04974	1.3
75.27567	0.8
79.05502	9.4
81.03410	1.0
81.07064	5.0
83.04968	1.7
84.04507	1.5
85.02895	2.2
85.06530	2.1
87.04448	2.5
91.05486	12.3
93.07050	14.6
95.04949	2.6
95.08604	2.9
97.02850	1.1
97.06543	1.0
98.97578	2.5
99.04444	1.5
103.05451	1.1
105.07030	13.6
106.04167	1.0
106.93213	0.9
107.04948	2.8
107.08600	60.1
109.06525	5.1
109.10142	2.5
111.04388	1.2
111.08080	2.5
116.06215	1.0
117.07005	2.1
119.04931	3.1
119.08588	22.5
119.09441	1.3
121.06514	2.1
121.10147	34.2
123.08080	7.9
125.05954	2.4
125.09625	3.2
127.03867	0.9
127.07538	1.4
129.07010	1.7
131.08560	12.2
133.06493	1.7
133.07635	0.9
133.10123	3.1
135.04391	1.8
135.08055	11.6
137.05984	1.5
137.09625	1.1
139.07541	0.7
139.11157	1.1
140.04950	4.1
140.10690	1.0
147.08058	12.1
149.09631	31.1
151.03908	2.0
151.07524	3.5
151.11191	2.3
153.01831	1.9
153.05438	2.2
153.09114	7.1
159.08054	4.3
165.09140	8.2
167.05933	4.7
167.07227	1.8
167.10645	5.4
168.10202	1.9
177.09113	28.3
180.55183	3.0
181.80211	0.7
189.55707	7.0
189.70490	0.8
190.05928	0.9
195.05429	1.9
195.10152	10.4
198.04475	1.6
202.06801	0.7
213.06654	25.5
213.11215	100.0
216.05449	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.24234	1.0
53.03941	1.6
54.98559	1.1
55.01858	1.9
55.05502	2.2
56.96543	1.9
57.03416	1.6
59.05006	1.2
67.05495	2.9
69.03424	2.0
69.07029	1.6
70.06581	1.6
70.64482	2.7
71.04979	2.0
72.97907	0.9
73.02908	1.7
77.03914	1.2
77.43224	1.0
79.05487	10.9
81.07029	3.9
83.04958	2.5
85.02888	2.1
85.06542	1.5
91.05481	40.3
93.07043	21.3
95.04957	3.4
95.08598	3.7
95.45146	1.0
97.02888	1.5
97.06521	1.4
98.97557	3.4
101.31489	1.0
103.05463	2.4
105.07033	34.9
107.04951	4.6
107.08593	57.8
109.06532	4.7
109.10155	1.4
111.04433	1.8
111.08072	1.8
114.99458	1.0
116.06199	3.3
116.98606	1.9
117.06999	3.5
119.01235	0.8
119.04908	3.5
119.08580	100.0
121.06499	2.7
121.09315	1.3
121.10152	26.3
123.04417	1.0
123.08080	8.5
123.11653	1.0
125.05972	1.2
125.09593	1.7
127.03886	1.0
129.06978	3.2
131.08569	35.2
133.06450	3.0
133.10123	6.3
135.08041	10.3
137.05963	4.4
137.09608	2.9
139.03787	0.9
140.04927	4.5
147.08049	28.0
149.06000	1.7
149.09622	34.3
151.07533	1.9
151.11261	1.5
153.05478	1.8
153.09079	4.1
159.08043	7.7
165.05475	1.1
165.09113	31.1
167.05873	4.8
167.07181	2.1
167.10672	13.5
168.10194	1.5
177.09105	28.7
185.07143	1.2
195.05409	2.4
195.10170	32.0
202.06647	1.4
213.06631	27.6
213.11195	73.5
214.08644	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Melazolide A
Peak:m/z	Relative Intensity
51.02367	0.8
53.03937	2.2
55.01859	3.3
55.05513	2.2
56.96555	2.1
57.03403	1.3
59.04974	0.9
67.05486	2.8
69.03412	1.7
69.07039	1.6
69.32038	4.6
69.32469	3.9
70.06589	2.0
71.04966	1.5
73.02926	1.2
79.05498	13.0
81.03444	1.1
81.07055	7.3
83.04963	3.0
85.02902	1.2
85.06545	1.3
88.07616	2.7
91.05479	32.2
93.03442	1.3
93.07043	25.9
95.04951	4.1
95.08576	3.2
97.02894	0.9
97.06489	1.6
98.97566	3.0
103.05466	1.9
105.07030	39.3
107.04970	8.9
107.08594	71.8
109.06509	4.4
109.10120	1.8
111.04410	2.0
111.08086	1.0
113.65366	1.0
115.05412	2.1
116.06265	5.5
116.98581	1.0
117.07005	3.9
119.08580	100.0
121.06493	3.3
121.09303	1.6
121.10148	28.8
123.04412	2.1
123.08092	5.3
123.11626	1.1
125.02379	1.2
125.05984	4.1
125.09610	2.0
125.78260	0.9
129.06989	3.5
131.08569	38.7
133.06516	5.5
133.10114	5.6
135.04431	2.5
135.08052	8.3
137.05971	6.6
137.09615	1.8
139.03929	1.3
140.04700	5.7
145.98917	1.0
147.08044	43.2
148.97296	1.5
149.05949	1.2
149.09618	33.7
151.03893	2.2
151.07550	1.0
151.11156	1.8
153.01826	2.7
153.05457	5.2
153.09079	1.9
155.07034	4.2
158.99707	1.0
159.08067	12.1
163.03903	3.8
165.09109	40.6
167.03400	2.1
167.07022	4.1
167.08412	1.0
167.10692	10.5
177.09105	36.0
177.10641	1.8
181.04933	1.3
195.06538	1.3
195.10173	30.9
213.07266	1.1
213.11205	31.9
213.16272	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.091
Annotation	Benzyl benzoate
Peak:m/z	Relative Intensity
51.19961	0.8
53.03924	1.1
53.18111	0.8
53.29886	0.6
55.01860	1.2
55.05497	2.4
56.05025	1.1
56.96568	4.4
57.07076	0.9
57.08814	0.6
65.03932	3.2
67.05493	2.9
69.03429	2.3
69.07062	2.9
70.06587	4.4
71.04995	1.2
71.61194	1.1
72.08140	0.8
79.05505	3.3
81.07057	2.5
83.04975	0.8
83.08623	1.3
84.08147	1.0
85.02911	1.5
85.06518	1.0
86.09699	1.3
88.07627	1.8
91.05480	91.7
93.07024	2.3
95.04974	6.3
95.08604	1.5
96.45157	0.7
97.02892	1.2
97.06522	1.6
98.97569	3.5
105.07034	3.0
107.04955	13.7
107.08593	5.2
109.06481	1.4
110.03667	1.4
111.04434	1.4
116.07145	0.9
116.98630	2.9
119.04945	100.0
119.08588	7.0
120.05753	8.8
121.02866	2.6
121.06505	2.0
121.10129	2.8
123.04479	1.1
123.08097	1.4
124.41072	0.7
125.00899	0.7
125.02277	0.7
125.06024	3.4
128.06189	0.8
128.98622	0.7
129.07080	0.9
130.96303	1.8
131.08521	2.5
133.02885	0.9
133.10181	0.9
134.99612	0.8
135.04431	1.6
135.08047	1.2
137.05986	1.9
140.04646	0.8
141.06984	1.1
142.07787	1.0
147.08052	3.1
148.97356	3.8
149.06006	1.6
149.09590	2.7
151.03934	4.7
151.05029	0.9
152.06238	6.2
153.01833	2.6
153.05479	1.5
153.06929	0.6
157.06477	1.4
161.53500	0.7
163.07518	0.9
165.05612	1.3
165.07019	4.5
165.09145	2.6
166.07762	2.7
167.03455	0.8
167.07050	5.7
167.08594	9.1
167.10719	1.3
167.74995	0.7
169.06416	0.7
170.07347	0.8
170.99689	1.0
176.06197	1.3
177.05571	1.3
177.07005	5.8
177.09122	2.1
181.04974	0.7
185.09683	1.5
188.92494	2.0
189.97525	1.2
191.09799	0.7
195.06487	1.9
195.08084	7.2
195.10170	3.7
196.61330	0.7
198.06810	1.9
207.98676	1.0
213.05659	1.5
213.07213	1.6
213.09171	21.6
213.11267	4.3
213.16148	0.9
219.05392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34657	0.9
53.03948	2.2
55.01868	5.1
55.05511	11.6
56.96567	15.6
57.03446	8.0
58.99864	4.3
61.02937	7.0
67.05502	1.7
68.32078	1.1
68.98290	7.2
69.03439	17.1
69.77278	5.4
70.06593	4.0
70.99856	4.6
71.01344	1.5
71.04984	3.0
72.08143	1.4
73.01422	3.7
73.02910	9.7
73.06563	5.3
77.00903	2.2
79.05484	1.1
81.03415	7.2
81.07050	1.5
82.01446	13.1
82.99837	1.5
83.04987	1.6
84.01614	1.4
84.08147	2.8
84.96044	1.6
85.01414	22.6
85.02910	23.1
85.06535	1.3
86.03242	1.7
86.99334	6.8
87.04462	2.5
89.00875	1.6
91.02439	4.9
91.03966	2.3
91.05482	2.5
95.01669	1.4
95.04994	1.9
96.04498	1.2
96.08135	2.8
97.02900	15.6
98.01331	1.2
98.03252	1.7
98.06087	1.3
98.97578	15.3
99.04459	2.4
99.91656	1.1
100.02491	36.0
101.00879	8.5
102.01527	2.4
103.02447	69.6
104.02126	1.2
105.00400	5.7
109.02906	3.3
110.01270	2.2
110.06050	1.9
110.97610	7.0
110.99327	2.7
111.02046	1.6
111.04443	1.7
112.07613	3.1
112.99142	2.8
113.00860	2.8
114.04033	18.4
115.02413	1.1
116.01304	1.2
116.02115	1.4
116.98627	3.6
117.03992	25.5
118.02756	1.8
118.03522	13.9
119.01894	14.7
120.08120	1.6
121.01662	1.2
121.03494	28.9
122.09743	1.5
124.07602	1.6
124.99121	1.7
126.04037	10.5
127.02435	3.1
127.03910	5.1
128.02278	1.7
128.98659	6.4
129.00330	20.5
129.03995	1.8
131.00154	2.4
131.01865	9.6
131.03593	1.6
131.04607	1.7
131.05569	3.7
132.05074	16.8
133.01643	2.2
134.06038	3.1
135.05037	26.0
136.07596	4.4
137.02763	3.6
138.05293	5.1
138.09171	2.4
138.10268	2.1
139.01604	1.3
140.02327	1.2
140.19547	1.2
142.12273	1.4
143.00168	1.8
143.01884	11.8
144.05064	7.7
144.98128	1.3
145.01723	1.6
145.03479	22.0
145.04724	1.8
145.05104	1.5
146.02257	3.3
146.03305	3.4
146.55154	6.3
146.99553	2.8
147.01392	98.3
147.03062	5.3
147.05847	30.4
147.55858	6.9
148.01506	1.1
148.04001	2.0
148.05167	3.9
148.07556	2.1
149.01201	1.3
149.02892	1.6
149.04828	3.1
149.06609	4.5
150.12854	1.3
152.01933	12.7
152.07072	4.8
152.10701	1.9
153.01839	7.4
154.03804	3.8
154.08665	2.2
154.12288	3.0
156.01456	2.7
156.03682	1.6
156.06308	2.8
158.06648	7.6
158.56502	2.6
158.99648	2.2
161.01399	2.4
161.02954	26.5
161.04375	1.7
162.99153	1.7
163.04514	24.8
165.02454	24.5
166.04996	4.5
166.08623	7.8
166.09702	6.6
167.03645	1.4
168.05080	1.2
170.02992	100.0
170.99670	4.3
171.01350	1.7
171.03299	1.6
171.05045	1.5
173.02875	2.8
173.06577	4.9
174.02571	1.4
174.06728	3.0
175.06335	1.5
176.07117	2.6
177.00725	2.4
179.04088	1.4
180.06479	1.5
182.03133	2.2
183.03503	6.7
183.05031	1.4
184.05130	2.1
184.09621	1.5
186.06093	2.7
188.04047	4.2
188.07756	2.7
189.00749	5.1
189.02417	25.1
190.06322	2.7
191.03876	1.6
191.07695	1.6
193.04625	2.4
194.04498	3.1
194.08148	19.1
194.11700	1.8
199.04626	1.2
200.04645	1.6
201.00734	2.7
201.06071	3.3
202.06679	1.4
203.04018	1.3
205.00241	2.0
207.01915	1.5
207.03511	39.7
209.05072	1.1
212.04034	4.7
212.07541	3.9
212.08978	7.7
212.12657	12.5
212.16379	6.1
218.05727	1.8
219.01797	3.5
219.05331	1.7
219.07266	1.9
223.01218	2.3
230.05206	2.7
230.08743	3.5
231.03571	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.01865	2.2
55.05510	18.7
56.05828	2.8
56.96571	2.1
57.03439	2.3
57.07069	6.3
59.04994	2.2
67.05173	1.8
67.05505	27.1
69.03421	7.9
69.07072	22.8
70.14157	2.0
70.14506	4.6
71.04993	11.1
71.08607	1.4
78.11871	1.3
79.05508	6.1
81.03386	1.5
81.07058	31.0
83.04980	12.9
83.08622	9.1
85.02895	1.4
85.06543	16.0
91.05466	7.6
93.07043	22.2
95.04951	4.0
95.08607	41.7
95.22787	1.2
97.06527	2.8
97.10157	3.6
99.08104	8.7
105.07020	12.0
107.08594	37.4
109.06517	12.1
109.10154	100.0
111.04442	3.0
111.08057	4.3
111.11770	1.6
113.09663	1.8
119.04946	1.3
119.08589	29.7
121.10127	12.4
123.04408	2.0
123.08092	11.0
123.11699	12.9
125.02416	1.5
125.09631	3.3
127.11168	1.9
130.30054	1.5
133.10141	23.6
135.11691	79.8
137.09621	17.5
139.11169	3.1
147.11693	3.0
149.05881	1.5
149.13251	10.6
151.07591	1.4
151.11194	8.8
151.14821	10.6
153.12756	16.2
165.16313	1.6
167.07050	6.9
175.14813	26.4
179.07043	2.0
183.15793	8.2
193.15858	13.1
211.13208	1.8
211.15143	2.7
211.16954	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	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	3.5
55.01861	4.0
55.05517	11.1
57.03432	4.6
57.07069	3.1
59.04980	5.6
60.46684	1.4
67.05511	22.3
69.03427	31.6
69.06718	3.1
69.07069	45.4
69.42467	1.8
70.06572	2.8
71.04708	1.4
71.05005	14.4
71.61227	1.9
78.04709	4.1
79.05475	14.2
81.03388	5.0
81.07056	32.7
83.04979	10.8
83.08601	7.3
84.08148	2.6
85.02913	4.4
85.06546	10.8
91.05485	22.5
93.07050	43.5
95.04968	17.0
95.08608	100.0
97.06530	33.4
97.10151	1.7
99.04449	7.4
99.08081	7.3
103.05456	7.7
105.07014	19.7
106.04167	2.5
107.04964	3.0
107.08601	32.1
109.06525	9.2
109.10146	20.3
111.08066	5.1
113.06014	3.5
113.09648	40.6
115.05476	1.9
115.07571	5.1
119.04930	3.3
119.08576	40.2
120.08909	2.4
121.06495	11.4
121.10146	11.8
122.09349	1.9
123.04426	22.5
123.08073	10.2
123.11690	9.1
125.02340	2.8
125.09632	71.4
131.08586	2.4
133.06490	4.2
133.07474	2.1
133.10121	23.9
135.08025	2.1
135.11699	44.1
137.06013	7.9
137.09637	40.0
137.11554	6.4
140.06039	1.9
141.09071	3.1
147.04381	2.7
147.08014	2.0
147.11685	9.0
149.05974	18.3
149.13275	8.2
151.03899	3.2
151.07549	13.8
151.11151	7.4
151.14789	4.5
153.12738	7.1
155.10651	5.1
161.05943	1.8
163.21446	1.7
165.05548	2.2
165.09108	4.2
165.11061	12.9
165.12598	3.1
166.06349	3.0
167.07054	67.1
175.11182	3.9
175.14836	42.5
179.07050	33.1
181.08614	14.6
183.06487	2.1
193.08585	4.6
193.12251	5.2
193.15915	14.5
211.07634	3.0
211.09579	9.7
211.11511	2.8
211.14836	3.0
211.16986	25.3
212.11928	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03948	2.2
55.05512	19.9
56.84927	2.1
56.96550	2.6
57.03427	4.2
57.07068	6.7
59.04996	13.1
64.47194	2.0
65.96130	2.3
66.60628	2.2
67.05505	22.1
69.03413	7.8
69.07072	39.2
69.75935	11.3
71.04993	58.4
79.05494	13.4
81.07059	50.5
83.04977	4.6
83.08620	17.0
85.06547	11.6
91.05468	8.9
93.07046	42.6
95.04961	3.5
95.08606	66.9
95.63832	2.1
97.06534	21.3
97.10172	3.6
98.20744	4.7
99.04446	10.3
99.08085	13.1
105.07040	20.0
107.08600	47.3
107.09312	1.6
109.06490	9.6
109.10165	59.4
111.08064	7.1
113.09657	3.9
115.07579	16.1
116.83502	2.0
119.08588	39.6
121.10141	30.4
123.08097	12.3
123.11709	69.7
125.09612	9.9
127.07529	7.0
133.10129	35.4
135.11691	100.0
137.09613	10.5
137.13231	5.9
141.09050	3.3
141.12717	5.4
147.11668	6.8
149.13257	15.6
150.55069	2.2
151.11182	3.8
151.14775	5.2
153.12755	22.7
155.10641	13.8
167.07018	7.4
175.14835	52.1
179.07036	4.0
193.15892	19.1
211.16928	84.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
51.98619	1.7
53.03946	1.8
55.05514	16.2
57.03430	3.0
57.07067	4.9
59.04998	1.8
60.28616	1.8
65.03920	1.8
67.05160	2.4
67.05506	29.8
69.03429	8.0
69.07073	16.5
69.99675	4.8
70.00079	3.3
71.04987	5.9
79.05488	5.8
80.68137	1.7
81.07061	34.1
83.04987	13.2
83.08628	10.1
85.06523	3.6
91.05485	6.5
93.07041	13.5
95.04959	3.6
95.08607	46.1
97.06524	2.7
97.10164	2.4
99.08097	2.5
105.07035	10.1
107.08598	24.7
109.06493	9.3
109.10159	100.0
111.08060	4.8
113.09676	2.1
119.08579	29.6
119.61046	1.7
121.10146	12.3
123.04460	2.7
123.08099	13.2
123.11711	11.3
125.09554	2.5
133.10124	16.9
135.11699	66.6
135.12698	4.0
137.09612	23.1
139.11230	2.3
147.11690	2.4
149.13275	5.2
151.11143	10.7
151.14833	10.4
153.12752	3.6
167.06984	1.6
175.14835	20.7
179.07034	5.7
193.08536	2.2
193.15912	16.7
211.16873	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03947	0.7
55.01868	0.4
55.05515	13.6
56.05855	0.4
57.03436	1.0
57.07072	4.7
59.04996	2.9
65.03943	1.1
66.22569	0.3
67.05508	28.4
69.03067	0.5
69.03439	9.2
69.07071	15.4
69.07449	0.8
69.44779	3.2
70.06586	0.4
71.04994	4.7
71.08631	1.3
72.83099	0.4
79.05495	6.2
81.07060	28.4
83.04984	11.1
83.08624	9.8
85.06549	4.7
87.08099	0.8
91.05476	5.9
93.07053	13.3
95.04978	2.8
95.08610	40.0
97.06525	2.1
97.10173	2.4
99.08096	3.8
102.79214	0.4
105.07033	8.3
107.08598	26.6
109.06525	12.3
109.10159	100.0
110.10528	0.5
111.08105	3.6
111.17900	0.4
113.06021	0.5
113.09648	1.7
117.06998	0.7
119.04913	0.3
119.08585	24.7
121.10147	10.8
121.96168	0.4
122.07310	0.4
123.04408	0.4
123.08071	14.0
123.11710	9.2
125.09644	1.5
127.11211	1.4
131.08574	0.5
133.10136	22.2
134.10469	0.5
135.11699	73.0
136.12045	0.5
137.09622	16.8
138.10445	0.6
139.10260	0.4
139.11169	2.7
145.10123	0.6
147.11710	1.6
149.13272	6.0
151.11185	10.8
151.12320	0.7
151.14830	10.9
153.12744	3.9
165.12796	0.5
165.16434	2.6
167.07080	0.8
175.14835	22.7
179.07019	0.7
183.15761	1.7
193.15897	15.0
195.81532	0.4
211.15218	0.9
211.16910	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
54.51641	1.2
55.05516	12.2
57.07080	2.6
57.69024	1.4
59.04995	2.9
63.68850	1.3
65.03919	2.1
67.05505	26.9
69.03423	8.4
69.07070	18.6
71.04989	4.0
71.19773	3.2
78.02523	1.4
79.05480	5.7
80.82308	1.2
81.07062	27.3
83.04982	10.8
83.08646	9.8
84.37572	1.2
85.06525	3.7
91.05480	4.3
93.07061	10.9
95.04953	2.0
95.08607	42.2
97.06519	1.9
97.10163	3.6
99.08086	3.0
105.07030	6.1
107.08588	24.2
109.06536	14.6
109.10157	100.0
111.08070	5.0
113.09649	1.8
119.08581	25.5
121.10168	11.3
123.08071	15.6
123.11726	10.2
133.10139	22.7
135.11699	73.4
137.09607	17.0
139.11186	2.1
149.13245	5.1
151.11197	9.0
151.14781	12.3
153.12749	4.4
165.16418	2.1
175.14818	18.8
193.15895	17.8
211.16916	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1694
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	1.4
55.05255	1.0
55.05513	14.5
56.96564	3.3
57.03441	4.3
57.07067	5.0
59.05000	3.4
60.81737	0.7
60.91981	0.7
65.03933	1.3
66.23669	0.7
67.05507	27.9
69.03439	10.4
69.06712	1.2
69.07071	20.6
70.06604	0.7
70.14347	3.4
71.04996	9.8
71.08639	1.6
73.06560	0.7
79.05494	7.0
81.03423	1.4
81.07062	36.5
83.04536	1.2
83.04989	12.4
83.08630	9.9
84.96046	1.4
85.02922	0.8
85.06541	6.5
91.05482	7.7
93.07050	17.2
95.04965	5.5
95.08612	45.3
97.06533	3.0
97.10157	3.3
97.99184	1.3
98.97598	0.8
99.04467	1.4
99.08110	4.7
103.05449	0.9
105.07039	8.5
105.31544	0.8
107.04964	1.2
107.07866	0.8
107.08600	30.5
109.06516	13.3
109.10160	100.0
110.10507	1.3
111.08087	4.9
113.06065	0.9
113.09663	2.0
119.04890	1.1
119.06168	0.7
119.08586	26.3
121.10151	14.6
123.04440	2.1
123.08070	15.2
123.11716	19.8
123.12567	1.5
124.05186	0.7
125.02379	1.0
125.09634	2.5
127.11217	0.8
133.10138	25.0
135.11697	69.1
136.12062	1.6
137.05978	1.1
137.09625	17.4
137.13246	1.0
139.11206	2.5
145.10075	1.0
147.11703	3.3
149.06006	1.6
149.13252	5.9
151.03952	0.8
151.07585	1.6
151.11192	16.2
151.12328	1.2
151.14830	11.1
153.12752	3.3
155.08534	1.1
155.10678	1.4
165.12738	1.5
165.16422	2.6
167.07057	10.3
167.08434	1.3
169.10139	1.7
175.14827	22.4
179.07106	1.7
183.11650	1.4
193.12259	1.0
193.15883	16.8
202.74973	0.8
211.07677	2.3
211.11411	0.8
211.14995	1.6
211.16963	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	211.1329
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.03944	0.8
55.01870	1.7
55.05522	4.5
55.50090	0.8
57.07076	3.3
63.11992	1.0
65.03926	0.7
67.05506	12.1
69.03439	1.7
69.07068	22.7
69.55264	4.3
69.55669	1.7
71.05005	5.5
74.45005	0.7
79.05489	9.3
81.07059	19.7
82.52449	0.7
83.04986	5.4
85.06546	7.0
91.05487	25.2
91.06059	1.3
93.06454	1.4
93.07050	23.4
95.04977	14.8
95.08606	5.3
97.06547	2.1
98.20667	1.4
99.04446	1.8
102.23443	0.9
105.07036	29.4
107.04983	1.4
107.08610	10.6
109.06525	25.4
109.10161	8.3
111.08076	1.2
113.05991	2.0
119.04918	0.9
119.08582	8.3
120.99293	0.7
121.02940	0.8
121.06479	0.8
121.10159	3.8
123.08083	2.4
123.11663	3.8
125.05988	1.7
125.09669	0.9
127.07565	3.2
127.10079	0.8
131.08582	8.4
133.10133	100.0
135.08040	1.1
137.05981	7.7
137.09599	1.4
145.10159	0.9
147.11688	23.4
149.05878	0.9
149.09613	3.0
151.07681	4.1
151.11189	66.5
155.07024	19.8
155.08214	1.5
157.10181	1.2
165.05444	1.5
165.12759	4.6
167.07014	1.6
169.08615	1.6
175.11169	9.3
181.08585	0.8
193.04979	1.9
193.12236	24.2
193.14848	1.1
211.05908	3.7
211.13290	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	211.1328
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
51.02366	0.9
51.64277	0.9
53.03951	5.9
53.04153	1.0
55.01875	5.9
55.05514	41.0
55.81211	1.0
56.96569	8.9
57.03440	8.2
57.07066	1.6
59.05000	1.8
65.03933	1.8
67.05508	30.4
69.03436	8.6
69.07069	12.5
69.57948	6.0
71.04991	4.5
77.53416	0.9
79.05494	32.7
81.03420	100.0
81.07059	34.4
83.04984	50.4
83.08626	31.6
84.96034	2.2
85.02882	1.4
85.06537	2.3
91.05485	31.2
93.07047	18.4
95.04969	34.7
95.08610	15.5
97.02900	3.3
97.06528	5.2
97.10182	7.6
97.99201	2.6
99.08098	1.7
105.07027	24.7
107.04949	7.1
107.08610	9.3
109.06539	8.1
109.10159	6.9
111.04435	3.0
111.08082	10.8
115.05445	1.1
116.00212	1.4
117.07018	2.6
119.08595	18.0
121.06483	1.4
121.10148	8.2
123.08091	3.9
123.11699	1.6
125.02408	1.9
125.09647	2.7
129.07011	10.9
131.08586	10.6
133.06526	3.1
133.10123	11.4
135.11687	4.4
137.09639	4.0
142.06053	1.0
142.07808	3.0
145.10109	2.5
147.08064	3.4
147.11690	13.4
149.09636	5.4
151.11194	1.9
157.10161	15.3
165.12798	2.3
169.10063	1.6
175.11203	14.4
175.14844	1.4
183.11752	1.2
193.12259	28.8
193.15869	1.6
211.13301	12.3
211.14908	2.2
220.89261	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Libanotic acid
Peak:m/z	Relative Intensity
53.03951	5.7
54.27566	0.9
55.01883	6.0
55.05514	43.8
56.96566	9.5
57.03436	8.8
57.07056	1.1
59.04976	1.9
63.91237	1.1
65.03920	1.6
67.05505	30.7
69.03421	9.6
69.07075	10.4
69.29040	3.1
69.29458	7.5
71.04996	6.5
71.78664	1.1
72.20722	1.1
79.05046	1.7
79.05496	31.4
81.03420	100.0
81.06573	1.7
81.07058	41.4
83.04985	49.0
83.08622	29.3
83.18385	1.1
84.96026	1.7
85.02927	1.7
85.06554	2.0
91.05482	35.0
93.07045	18.8
94.17662	1.0
95.04969	35.0
95.08611	16.8
97.02876	4.5
97.06523	4.6
97.10149	7.7
97.99171	2.7
99.08098	1.4
105.07031	26.9
106.13171	0.9
107.04955	7.2
107.08595	9.5
109.06511	6.7
109.10152	8.3
111.04427	4.3
111.08073	9.5
115.05396	1.7
116.00260	1.3
117.06981	2.1
119.04951	1.3
119.08588	16.8
121.06487	1.8
121.10165	10.0
123.08055	3.7
125.02373	1.2
125.05967	1.3
128.06201	1.1
129.07021	11.9
131.08569	12.1
133.06490	3.2
133.10127	14.4
135.11694	4.3
137.09607	3.4
142.07771	4.2
143.08603	1.2
147.08054	4.0
147.11679	14.5
149.09610	6.5
155.08574	1.7
157.10149	15.4
165.07033	1.2
165.12805	2.0
169.10106	3.8
175.11185	12.7
175.14832	1.9
181.10085	1.7
193.12256	29.8
196.12593	1.5
211.09468	1.4
211.13181	14.0
211.14896	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	211.0964
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
55.01856	1.2
55.05513	1.2
56.73751	0.8
57.03437	100.0
57.07095	0.7
67.05515	3.2
69.07084	1.3
69.41261	2.7
69.41692	3.5
71.05000	1.6
79.05503	3.0
81.07048	4.1
81.88657	0.8
83.05021	0.7
91.05478	4.7
93.07037	4.0
95.04987	3.3
95.08618	3.8
97.06552	2.1
98.21451	1.4
98.97605	2.7
99.04489	1.6
99.08123	0.8
103.05463	1.4
105.07053	3.5
107.08615	2.1
109.06559	2.3
109.10184	3.1
119.04953	0.9
119.08632	2.7
121.06536	2.5
121.10115	1.1
121.52879	0.8
123.04434	6.8
123.08110	1.8
123.11746	1.4
125.09680	1.1
133.06525	1.4
133.10185	2.4
135.11723	1.5
137.05972	6.8
137.09668	2.1
140.04716	1.5
147.04465	1.1
147.11739	0.8
149.06017	3.7
149.09636	1.0
151.03992	1.1
151.07605	3.0
151.10245	1.8
151.11324	1.0
155.07082	1.6
155.10832	1.0
167.07037	10.1
167.08330	0.8
175.11244	1.1
179.07025	13.2
179.08461	0.9
181.08684	2.2
193.08792	0.7
193.12297	1.9
193.15916	0.8
211.09634	8.8
211.13164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0967
Annotation	Methyl 2,4-dihydroxy-3,5,6-trimethylbenzoate
Peak:m/z	Relative Intensity
53.03937	2.0
55.01875	4.0
55.05517	4.8
56.96561	2.0
57.03432	1.6
57.07077	1.5
66.47478	0.7
67.05508	8.1
67.81478	0.7
68.99809	0.7
69.03424	5.6
69.07074	5.4
69.58540	2.1
69.58956	2.6
70.06577	1.3
71.04997	6.1
78.04718	1.0
79.05505	7.1
81.03417	2.7
81.07066	12.0
82.43997	0.7
83.04980	2.9
83.08602	2.5
85.02895	0.8
85.06550	3.3
86.09727	1.0
91.05483	14.2
93.03428	0.8
93.07043	11.1
95.04986	8.4
95.08615	10.5
97.02908	1.2
97.06535	5.7
98.97608	1.9
99.04453	1.4
99.08106	2.4
103.05485	3.5
105.07036	16.7
106.04195	1.2
107.04975	2.4
107.08602	8.5
108.05724	0.9
108.08967	0.7
109.06530	5.6
109.10171	8.2
109.98727	0.7
110.03667	1.6
111.04453	0.9
111.08103	2.7
113.05965	0.9
115.05447	1.0
117.07047	1.8
118.04247	0.9
119.04962	5.2
119.08588	100.0
120.08897	0.8
121.02909	1.2
121.06514	4.6
121.10148	18.8
123.04435	29.6
123.08063	6.2
123.11710	4.0
124.05182	0.8
125.02364	1.3
125.09624	8.1
126.01096	3.4
127.07522	1.0
129.06979	1.3
131.04922	0.8
131.08580	1.9
133.06517	4.1
133.07465	0.8
133.10139	13.0
135.08044	1.1
135.11665	4.7
136.05223	0.9
137.05983	4.8
137.09608	4.5
139.11232	1.0
147.04428	3.7
147.08026	10.0
147.11696	4.3
149.05998	5.9
149.13269	1.4
150.06726	1.1
151.03925	2.4
151.07553	17.1
151.08708	0.7
151.11194	9.9
153.09196	0.8
155.07079	0.8
155.08524	1.0
155.10710	0.8
157.10152	0.7
161.05968	1.5
161.07164	1.5
165.09131	34.3
165.12766	3.2
166.06264	1.2
166.12289	4.9
167.07057	14.7
175.11232	1.3
175.14812	2.9
179.07042	58.2
180.07545	1.2
181.08694	3.6
181.10094	1.1
183.08249	0.7
193.04939	1.1
193.08618	13.4
193.10320	1.2
193.12244	4.2
193.15884	7.9
194.11896	0.7
211.07726	1.1
211.09637	20.2
211.11488	1.2
211.13248	3.2
211.15079	1.2
211.16975	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0965
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
53.03942	7.0
55.01871	12.4
56.97526	1.5
65.03934	5.5
67.05511	3.9
69.03427	1.7
69.45402	12.8
75.71988	1.4
79.05500	16.1
81.07044	4.4
83.04966	1.6
83.08667	1.8
85.02938	2.0
91.05483	92.7
93.07057	7.8
94.04207	1.8
95.04961	9.9
95.08618	2.8
103.05476	14.8
105.03414	15.3
105.07040	21.7
107.04960	39.5
107.08574	2.8
108.05741	5.3
108.66137	1.7
109.06522	23.4
109.10188	2.7
118.04175	4.9
119.04948	100.0
119.08580	7.0
119.95938	1.6
121.06506	32.9
122.07312	2.2
123.04459	10.2
123.08069	16.9
124.05244	2.3
131.05006	2.5
133.06483	11.9
134.03639	15.8
135.04425	3.2
135.08058	8.1
135.11740	2.2
137.05984	7.4
147.04411	17.0
147.08032	4.9
149.05983	35.1
151.03937	2.7
151.07542	46.3
151.11166	1.5
152.04625	1.7
161.05995	7.5
165.05545	2.5
165.09135	6.1
166.06133	3.6
167.07043	53.2
168.07364	12.6
175.07408	2.2
179.07054	19.3
181.08623	10.3
182.81932	1.6
183.09760	4.9
193.08600	5.1
211.09650	24.8
227.03862	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01880	17.2
55.05500	12.6
56.05019	4.9
56.96319	3.8
56.96571	44.4
57.03439	22.2
59.04995	3.8
60.16214	2.5
61.02937	29.8
67.05512	13.4
68.98302	3.5
69.03434	71.6
69.07054	9.7
70.06592	8.7
70.98106	4.8
71.01337	7.0
71.05000	15.7
71.60474	3.2
72.04509	4.0
73.02914	27.5
78.19762	2.4
79.05483	9.9
81.03427	32.8
81.04527	6.9
81.07062	14.1
82.06561	3.9
83.04980	10.8
84.04523	4.2
84.08096	4.7
84.96016	4.2
85.01404	9.7
85.02412	5.3
85.02911	100.0
85.06528	3.9
86.06046	8.0
87.04452	12.6
91.03929	5.0
91.05475	15.8
93.07030	11.3
95.04992	19.5
95.08618	10.3
96.01543	3.6
96.08135	5.1
97.02899	52.6
97.06497	7.6
98.97584	28.1
99.04448	11.0
100.02485	7.7
100.99091	4.1
101.00845	7.8
103.02451	29.2
104.01241	3.0
104.03964	3.0
105.00291	3.0
105.07006	7.4
106.94186	2.6
107.04960	4.0
107.08569	4.4
108.04282	4.0
109.02814	15.3
109.06512	6.2
109.07630	3.7
109.10184	5.7
110.97564	11.3
111.02912	5.9
111.04445	6.0
112.01019	11.1
112.07611	3.4
113.00886	3.9
115.02441	3.3
116.98589	11.8
117.03993	5.6
118.03533	3.6
119.01891	19.5
119.08595	8.8
120.99560	6.6
121.01556	5.6
121.03465	11.6
121.06487	9.9
122.07188	5.0
123.04429	12.4
123.05515	3.6
123.08025	6.1
124.99094	4.0
125.02403	7.2
127.00735	3.1
127.03936	20.1
127.04745	3.1
128.02235	7.8
128.98604	10.2
129.00317	4.9
129.04027	17.5
130.03677	3.4
131.00099	3.0
131.01880	15.1
131.53339	3.9
132.05022	4.1
133.01668	3.9
133.03458	5.5
133.06491	4.5
133.10098	4.3
134.99612	4.7
135.05067	5.0
136.03937	3.4
137.02629	8.9
137.04402	6.0
137.05972	12.5
137.07098	8.9
137.09515	2.8
138.05490	3.2
139.09785	3.7
140.98627	3.4
142.06119	3.5
143.00169	4.1
143.01903	3.7
144.98123	5.8
145.01649	3.9
145.03423	14.7
145.04976	6.0
146.02219	4.1
146.03207	8.8
146.05011	66.4
146.55128	9.8
146.99611	5.3
147.01404	22.0
147.05028	77.0
148.05110	7.7
149.05974	6.6
150.05493	4.5
151.04007	5.4
151.05891	15.7
151.07584	4.6
151.09503	3.1
152.02058	3.1
154.03882	3.1
155.02849	6.4
155.04446	3.2
155.05554	7.2
157.03407	5.0
158.99678	6.7
159.05013	6.5
161.02917	9.3
162.99162	8.4
163.04480	10.4
163.97708	3.3
165.01913	4.7
165.06168	12.6
166.08574	3.7
167.07072	32.8
170.03024	16.1
170.99626	3.6
171.05026	18.8
173.02995	4.1
173.06630	34.0
174.06772	3.8
177.00725	4.0
179.03429	5.0
179.07042	4.2
181.08679	3.6
183.02995	6.7
183.05040	21.5
183.07732	5.7
184.04520	3.1
187.02696	3.4
187.92778	9.5
189.00781	6.9
189.02460	5.7
189.06056	36.3
190.06174	5.1
191.07559	5.1
193.04973	4.5
193.06955	5.0
193.08458	4.8
194.08113	4.1
199.02812	3.2
199.04512	11.6
200.04529	4.5
201.06096	19.8
205.00261	9.6
205.98764	4.5
207.03566	10.8
211.02527	4.2
211.05913	4.7
211.07693	11.3
211.09689	8.1
211.11789	9.0
211.15274	17.9
215.07707	4.3
217.05586	29.3
218.05621	3.3
221.05011	4.0
223.01221	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	211.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	9.3
55.01880	17.2
55.05500	12.6
56.05019	4.9
56.96319	3.8
56.96571	44.4
57.03439	22.2
59.04995	3.8
60.16214	2.5
61.02937	29.8
67.05512	13.4
68.98302	3.5
69.03434	71.6
69.07054	9.7
70.06592	8.7
70.98106	4.8
71.01337	7.0
71.05000	15.7
71.60474	3.2
72.04509	4.0
73.02914	27.5
78.19762	2.4
79.05483	9.9
81.03427	32.8
81.04527	6.9
81.07062	14.1
82.06561	3.9
83.04980	10.8
84.04523	4.2
84.08096	4.7
84.96016	4.2
85.01404	9.7
85.02412	5.3
85.02911	100.0
85.06528	3.9
86.06046	8.0
87.04452	12.6
91.03929	5.0
91.05475	15.8
93.07030	11.3
95.04992	19.5
95.08618	10.3
96.01543	3.6
96.08135	5.1
97.02899	52.6
97.06497	7.6
98.97584	28.1
99.04448	11.0
100.02485	7.7
100.99091	4.1
101.00845	7.8
103.02451	29.2
104.01241	3.0
104.03964	3.0
105.00291	3.0
105.07006	7.4
106.94186	2.6
107.04960	4.0
107.08569	4.4
108.04282	4.0
109.02814	15.3
109.06512	6.2
109.07630	3.7
109.10184	5.7
110.97564	11.3
111.02912	5.9
111.04445	6.0
112.01019	11.1
112.07611	3.4
113.00886	3.9
115.02441	3.3
116.98589	11.8
117.03993	5.6
118.03533	3.6
119.01891	19.5
119.08595	8.8
120.99560	6.6
121.01556	5.6
121.03465	11.6
121.06487	9.9
122.07188	5.0
123.04429	12.4
123.05515	3.6
123.08025	6.1
124.99094	4.0
125.02403	7.2
127.00735	3.1
127.03936	20.1
127.04745	3.1
128.02235	7.8
128.98604	10.2
129.00317	4.9
129.04027	17.5
130.03677	3.4
131.00099	3.0
131.01880	15.1
131.53339	3.9
132.05022	4.1
133.01668	3.9
133.03458	5.5
133.06491	4.5
133.10098	4.3
134.99612	4.7
135.05067	5.0
136.03937	3.4
137.02629	8.9
137.04402	6.0
137.05972	12.5
137.07098	8.9
137.09515	2.8
138.05490	3.2
139.09785	3.7
140.98627	3.4
142.06119	3.5
143.00169	4.1
143.01903	3.7
144.98123	5.8
145.01649	3.9
145.03423	14.7
145.04976	6.0
146.02219	4.1
146.03207	8.8
146.05011	66.4
146.55128	9.8
146.99611	5.3
147.01404	22.0
147.05028	77.0
148.05110	7.7
149.05974	6.6
150.05493	4.5
151.04007	5.4
151.05891	15.7
151.07584	4.6
151.09503	3.1
152.02058	3.1
154.03882	3.1
155.02849	6.4
155.04446	3.2
155.05554	7.2
157.03407	5.0
158.99678	6.7
159.05013	6.5
161.02917	9.3
162.99162	8.4
163.04480	10.4
163.97708	3.3
165.01913	4.7
165.06168	12.6
166.08574	3.7
167.07072	32.8
170.03024	16.1
170.99626	3.6
171.05026	18.8
173.02995	4.1
173.06630	34.0
174.06772	3.8
177.00725	4.0
179.03429	5.0
179.07042	4.2
181.08679	3.6
183.02995	6.7
183.05040	21.5
183.07732	5.7
184.04520	3.1
187.02696	3.4
187.92778	9.5
189.00781	6.9
189.02460	5.7
189.06056	36.3
190.06174	5.1
191.07559	5.1
193.04973	4.5
193.06955	5.0
193.08458	4.8
194.08113	4.1
199.02812	3.2
199.04512	11.6
200.04529	4.5
201.06096	19.8
205.00261	9.6
205.98764	4.5
207.03566	10.8
211.02527	4.2
211.05913	4.7
211.07693	11.3
211.09689	8.1
211.11789	9.0
211.15274	17.9
215.07707	4.3
217.05586	29.3
218.05621	3.3
221.05011	4.0
223.01221	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	209.1538
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
52.07671	1.1
53.03942	1.9
54.19081	1.1
55.05511	20.0
57.03446	1.1
57.07059	3.8
59.04977	2.2
63.78242	1.3
67.05503	7.0
69.03433	13.8
69.07076	5.2
70.89497	2.4
79.05478	4.1
81.03415	9.9
81.07059	12.0
83.04983	26.9
83.08622	12.2
84.84501	1.0
85.06528	1.4
91.05475	4.9
93.07046	8.0
95.04974	9.4
95.08617	13.4
97.06525	3.1
97.10176	2.0
99.08107	1.6
105.07052	6.5
107.08605	15.1
109.06530	16.7
109.10165	9.1
111.08045	3.4
112.68344	1.2
119.08606	6.8
120.15950	1.1
121.06506	1.7
121.10150	18.7
123.08080	11.5
123.11716	12.0
125.09659	4.9
133.10126	4.8
135.08046	4.8
135.11711	2.3
137.09636	4.5
137.13254	2.5
139.14209	1.1
144.85669	1.1
145.10114	1.3
147.11702	6.3
149.09641	12.4
149.13258	11.9
150.54724	1.2
151.11185	24.7
160.45366	1.2
163.14854	2.2
165.12759	100.0
167.14339	16.5
168.91367	1.0
173.13300	4.1
191.14330	5.7
209.15376	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	2.4
55.01860	2.9
55.05511	11.8
56.49205	1.7
57.03434	2.4
57.07062	7.6
59.04985	1.8
65.03926	1.7
67.05499	10.3
69.03113	2.0
69.03427	18.5
69.07055	7.9
69.64509	11.8
71.04969	4.3
75.04435	1.8
79.05486	14.4
81.07056	19.1
83.04981	17.6
83.08595	4.8
85.06530	6.1
91.05470	10.2
93.03355	2.3
93.07053	10.4
94.45541	1.7
95.04951	5.2
95.08604	11.8
97.06507	4.9
99.08054	2.3
103.05461	2.4
105.07024	10.9
106.04160	5.7
107.04951	3.5
107.07953	2.9
107.08600	36.1
109.06532	8.8
109.10162	5.2
111.08081	13.4
119.08555	6.4
121.06535	10.9
121.10146	17.8
123.08075	3.6
123.11713	8.9
125.05996	5.1
125.09631	67.7
125.10538	4.3
130.07793	1.6
131.04968	1.6
131.08574	13.3
133.10124	10.2
135.08057	17.1
135.11684	5.3
137.09599	2.7
145.10136	5.9
147.11661	5.8
149.05992	8.9
149.09627	13.4
149.13281	9.7
151.11174	8.0
153.09125	8.4
158.10898	4.4
163.11156	5.1
163.14856	5.1
165.12735	14.6
167.14317	4.6
173.13280	16.6
176.11986	2.3
177.05482	10.2
181.08647	1.7
182.02968	1.8
191.14307	83.6
209.08099	2.3
209.15372	100.0
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
55.01856	3.7
55.05512	13.2
59.05005	2.3
67.05501	9.5
69.03429	14.6
69.07078	13.6
69.66087	10.6
71.05005	7.2
79.05505	7.8
81.07059	17.5
82.25375	1.5
83.04989	18.8
83.08619	6.3
85.02874	1.6
85.06554	1.7
91.05484	8.1
93.07050	13.7
95.04975	23.4
95.08610	26.2
97.06506	6.4
99.04462	5.2
99.08088	3.4
105.07021	10.7
106.04150	2.0
107.08599	34.9
109.06524	12.5
109.10160	15.3
111.08086	4.9
119.08575	5.3
121.06491	6.0
121.10154	33.9
123.08069	5.1
123.11700	4.7
125.06030	1.9
125.09628	10.9
130.90118	1.8
131.08589	8.2
133.09375	1.5
133.10143	16.0
135.08054	10.6
135.11670	5.6
137.06047	1.5
137.09602	4.1
139.11186	5.5
143.08553	2.2
145.10178	2.0
147.11717	7.6
149.06036	2.9
149.09621	9.8
149.13261	19.6
150.72307	1.6
151.11186	100.0
153.09166	7.5
158.10883	3.4
163.14824	7.5
165.12752	7.2
167.14331	6.6
173.13249	13.9
181.08537	2.5
191.14311	34.2
205.66504	1.4
209.15366	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03956	2.6
55.01870	1.8
55.05511	5.8
57.03420	1.6
59.05010	2.2
63.83069	1.9
64.12149	1.5
67.05500	8.8
69.03431	15.4
69.07062	13.4
69.49342	13.0
71.04985	5.3
75.74853	1.5
79.05479	8.1
81.03425	9.6
81.07068	15.4
81.59128	1.5
83.04990	8.5
83.08595	2.2
85.06561	2.4
91.05468	6.9
93.07047	9.6
95.04962	11.5
95.08617	23.8
97.06561	4.6
99.08064	2.5
103.58340	1.6
105.07029	11.6
106.04146	2.1
107.04948	1.8
107.08608	29.4
109.06516	16.7
109.10195	9.4
111.08086	4.5
115.40557	1.9
119.08588	7.5
121.06489	4.5
121.10149	29.8
123.08079	14.9
123.11686	13.1
125.09628	10.6
131.08549	3.5
133.10135	10.9
135.08055	7.8
135.11707	4.0
137.09605	3.9
137.13307	2.1
143.08583	1.7
145.10120	3.5
147.11693	8.0
149.05995	3.3
149.09605	16.9
149.13272	18.1
151.11191	50.7
153.09169	2.8
163.14832	4.6
165.12767	100.0
173.13293	8.4
191.14297	27.7
194.19635	1.7
209.15385	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03954	3.0
55.01863	2.1
55.05500	3.3
56.86224	1.4
57.07078	2.2
59.04990	2.2
61.97717	1.6
67.05501	7.0
69.03442	14.5
69.07069	11.2
70.04331	2.9
70.04739	5.4
71.04987	4.6
79.05481	4.8
81.03410	11.2
81.07059	15.0
83.04988	9.9
83.08607	2.3
87.51299	1.7
91.05476	5.0
93.07026	9.5
95.04980	10.1
95.08614	21.8
97.06537	4.4
99.08090	5.1
104.05716	1.6
105.07030	9.6
107.07940	2.7
107.08600	29.5
109.06519	17.6
109.10143	9.2
111.08041	2.9
117.07002	1.6
119.08571	8.8
121.06515	4.9
121.10161	28.2
123.08084	16.8
123.11721	10.0
125.09602	8.6
131.08575	4.2
133.10101	6.6
135.08098	8.4
135.11700	2.3
137.09650	5.2
137.13257	3.6
139.11197	2.9
145.10114	4.1
147.11736	7.2
149.05933	2.1
149.09622	16.3
149.13252	13.3
151.11183	46.6
153.09056	1.9
163.11197	1.7
163.14896	3.5
165.12759	100.0
173.13269	8.9
191.14310	26.6
209.15367	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.62973	1.2
53.03942	2.0
53.95490	1.3
55.01860	3.5
55.05512	12.3
55.24467	1.5
56.96572	1.7
57.03438	9.5
57.07061	4.7
59.04986	4.7
61.47415	1.3
62.94561	1.2
63.82544	1.3
65.03933	3.0
67.05511	12.3
69.03426	7.1
69.07069	8.5
70.63524	1.1
70.63879	4.7
71.05002	11.5
78.04697	1.3
78.49001	1.5
79.05502	14.9
81.07060	23.4
83.05000	9.2
83.08620	8.7
85.02878	1.5
85.06546	5.0
91.05475	13.4
93.03400	4.4
93.07047	18.7
95.04974	100.0
95.08611	11.1
97.06526	15.9
97.10165	3.3
98.97588	4.7
99.04459	18.2
99.08113	3.2
103.05455	4.3
103.93398	1.4
105.07045	13.0
106.04163	9.1
106.58864	1.5
107.04950	3.5
107.08599	27.0
109.06525	59.6
109.10153	18.6
111.08083	11.5
113.05965	2.2
113.09678	1.6
115.07578	1.4
117.07030	1.3
119.08587	7.5
121.06517	13.3
121.10141	28.7
123.08079	10.0
123.11719	2.7
125.05961	1.9
125.09642	13.1
126.01076	2.8
131.08578	8.2
133.10146	26.1
135.08070	13.9
135.11665	7.2
137.06041	1.5
137.09634	4.4
139.07581	1.4
139.11186	3.7
143.08569	2.1
144.00215	1.3
145.10097	3.9
147.11720	6.2
149.05991	10.4
149.09641	10.8
149.13271	13.2
151.11185	17.5
153.09117	51.4
158.10927	2.2
159.04295	1.3
163.11121	2.2
163.14842	7.2
165.12758	6.6
167.14346	3.9
173.13260	18.4
177.05470	8.0
181.08614	3.3
191.14311	39.1
209.08121	3.4
209.12103	2.1
209.15390	43.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.8
53.58695	0.7
55.01870	3.3
55.05511	4.6
56.96565	0.9
57.03432	2.3
58.51143	0.7
65.03927	1.3
67.05495	4.5
69.03439	5.2
69.07077	3.8
71.04990	3.1
71.40736	1.2
78.04724	0.8
79.05499	7.3
81.03417	0.9
81.07066	7.0
83.04984	3.3
83.08617	2.4
85.02891	1.5
85.06520	1.9
89.03926	1.1
91.05484	9.7
93.03441	1.5
93.07053	12.5
95.04966	5.8
95.08621	5.5
95.61402	0.7
97.02928	0.9
97.06557	3.7
97.10156	1.1
98.97591	2.0
99.02206	0.7
99.04465	3.0
99.08096	1.0
103.05473	2.5
104.26041	0.7
105.04494	0.8
105.07035	6.5
106.04178	4.4
107.04946	1.6
107.08605	12.2
109.06530	8.4
109.10150	5.0
111.04462	0.7
111.08076	2.3
117.06957	0.7
119.04954	0.9
119.08595	3.1
121.06522	8.6
121.10139	13.4
123.08083	4.0
123.11698	2.0
125.05976	1.5
125.09620	2.1
131.04926	2.0
131.08580	3.4
133.10127	5.5
134.03641	1.2
135.08049	3.8
135.11699	1.9
137.05988	0.9
137.09608	3.6
139.11203	1.3
145.02870	0.7
145.10136	2.9
147.11702	2.0
148.05191	1.0
149.06027	8.1
149.09625	100.0
149.13220	5.0
151.11192	6.6
153.05415	0.9
153.09134	4.5
163.11198	2.3
163.14847	2.6
165.12816	1.7
167.14404	0.8
173.13284	5.6
177.05476	9.5
181.08687	0.8
182.44783	0.7
191.07069	2.2
191.10681	1.3
191.14331	7.9
194.05856	0.8
209.08063	2.5
209.11742	2.7
209.15378	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03950	0.8
53.58695	0.7
55.01870	3.3
55.05511	4.6
56.96565	0.9
57.03432	2.3
58.51143	0.7
65.03927	1.3
67.05495	4.5
69.03439	5.2
69.07077	3.8
71.04990	3.1
71.40736	1.2
78.04724	0.8
79.05499	7.3
81.03417	0.9
81.07066	7.0
83.04984	3.3
83.08617	2.4
85.02891	1.5
85.06520	1.9
89.03926	1.1
91.05484	9.7
93.03441	1.5
93.07053	12.5
95.04966	5.8
95.08621	5.5
95.61402	0.7
97.02928	0.9
97.06557	3.7
97.10156	1.1
98.97591	2.0
99.02206	0.7
99.04465	3.0
99.08096	1.0
103.05473	2.5
104.26041	0.7
105.04494	0.8
105.07035	6.5
106.04178	4.4
107.04946	1.6
107.08605	12.2
109.06530	8.4
109.10150	5.0
111.04462	0.7
111.08076	2.3
117.06957	0.7
119.04954	0.9
119.08595	3.1
121.06522	8.6
121.10139	13.4
123.08083	4.0
123.11698	2.0
125.05976	1.5
125.09620	2.1
131.04926	2.0
131.08580	3.4
133.10127	5.5
134.03641	1.2
135.08049	3.8
135.11699	1.9
137.05988	0.9
137.09608	3.6
139.11203	1.3
145.02870	0.7
145.10136	2.9
147.11702	2.0
148.05191	1.0
149.06027	8.1
149.09625	100.0
149.13220	5.0
151.11192	6.6
153.05415	0.9
153.09134	4.5
163.11198	2.3
163.14847	2.6
165.12816	1.7
167.14404	0.8
173.13284	5.6
177.05476	9.5
181.08687	0.8
182.44783	0.7
191.07069	2.2
191.10681	1.3
191.14331	7.9
194.05856	0.8
209.08063	2.5
209.11742	2.7
209.15378	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	3.0
55.05503	13.6
57.03428	6.0
57.07064	4.0
59.04987	5.6
65.03933	2.5
67.05502	16.0
68.83023	1.9
68.99803	4.1
69.03449	9.5
69.07069	19.0
71.04995	11.3
71.35997	4.6
77.03937	2.3
79.05490	17.3
81.03423	2.7
81.07055	36.3
83.04984	24.3
83.08605	8.3
85.06541	8.6
90.65697	1.8
91.05468	16.5
92.06451	1.8
92.21240	2.1
93.07051	33.9
95.04978	12.1
95.08613	27.7
97.06534	10.6
97.10149	2.6
99.04436	2.1
99.08086	21.9
101.62392	2.0
103.05453	2.9
105.07021	17.7
106.04155	5.9
107.04932	6.5
107.08595	64.1
109.06529	17.2
109.10149	28.0
111.04447	3.4
111.08049	13.6
115.44041	2.0
119.08591	11.3
121.06522	19.5
121.10152	42.7
123.08058	17.1
123.11697	7.4
125.05991	8.9
125.09662	13.0
131.08580	17.8
133.10129	22.7
135.08051	19.9
135.11679	7.2
137.09578	10.9
139.07545	7.8
139.11205	4.1
145.10124	5.6
147.11679	6.6
147.45633	2.0
149.05928	7.0
149.09622	100.0
149.13245	31.2
151.11188	53.2
153.09106	13.9
154.09865	2.9
158.10980	2.7
163.11172	3.5
163.14874	12.9
173.13260	21.8
177.05380	2.7
191.14302	32.9
205.83031	2.2
209.08189	3.5
209.15363	51.3
221.24493	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03955	2.6
55.01867	6.0
55.05513	15.0
57.03432	5.6
57.07070	3.8
59.04994	3.2
67.05505	16.5
69.03436	20.8
69.07066	22.1
71.04993	19.1
71.17294	3.6
79.05494	32.7
81.03429	2.1
81.07064	43.0
83.04978	13.7
83.08620	2.7
85.06543	13.0
91.05485	23.3
93.07051	55.8
95.04974	10.7
95.08610	36.2
97.06538	20.4
97.46996	1.6
99.04469	6.6
99.08089	8.6
101.06005	2.0
103.05500	2.2
105.07034	43.8
107.04952	12.4
107.08598	100.0
109.06531	22.6
109.10162	29.8
111.08105	5.2
117.07045	7.2
119.08585	18.1
121.06513	30.3
121.10142	54.4
123.08072	27.7
123.11668	4.4
125.05988	3.2
125.09615	3.3
129.07002	3.1
130.07811	2.3
131.08569	72.9
133.10138	53.7
135.08072	14.3
135.11705	11.7
137.09641	7.8
139.07521	4.9
139.11200	4.6
145.10120	27.3
146.78271	2.2
147.08051	3.3
147.11679	15.3
149.06030	2.0
149.09631	47.5
149.13264	52.4
151.11179	52.0
151.12328	3.5
153.05495	7.3
153.09140	5.3
158.10904	4.3
159.41286	1.8
161.13283	2.6
163.11191	12.2
163.14835	17.3
167.07086	2.2
173.13260	38.5
179.14290	2.1
191.10695	16.3
191.12560	3.9
191.14313	49.3
191.16023	2.5
209.11797	26.1
209.15364	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03930	4.1
55.01866	8.0
55.05511	32.4
57.03437	3.2
57.07066	7.1
59.04996	3.7
65.03938	3.1
66.04710	2.3
67.05506	21.8
68.60133	2.5
69.03429	33.3
69.06782	2.1
69.07075	30.5
69.63757	17.8
71.04999	15.6
79.05489	31.6
81.03422	3.7
81.07063	35.7
83.04976	35.9
83.08598	11.1
85.06534	16.4
91.05473	21.1
93.07043	58.0
95.04956	13.3
95.08614	39.2
97.06545	19.1
97.10180	15.8
97.44607	2.6
99.04441	6.3
99.08075	15.6
103.05438	3.9
105.07026	41.5
106.04159	5.1
107.04943	10.7
107.07860	5.0
107.08591	99.7
109.06509	18.8
109.10170	28.7
111.04455	2.4
111.08071	11.9
113.05990	4.5
117.06982	4.0
119.08584	19.4
121.06509	23.8
121.10147	64.5
123.08084	22.5
123.11697	13.3
125.05984	10.5
125.09621	58.1
131.08563	59.6
133.10121	43.3
135.08043	23.1
135.11708	13.6
137.09579	8.4
139.07513	10.5
139.11160	7.4
143.08543	3.8
145.10118	22.5
147.11720	12.0
149.05946	8.7
149.09628	100.0
149.12160	4.2
149.13255	52.2
149.93848	3.0
151.11188	67.3
153.05441	4.4
153.09113	20.6
154.09753	2.9
158.10896	3.8
163.11205	16.6
163.14795	24.5
165.12766	6.1
167.10663	6.1
167.14304	8.0
173.13263	34.6
177.05469	6.3
178.35406	2.4
191.10716	13.1
191.14317	51.1
209.11841	22.2
209.15364	88.0
221.84225	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	4.6
55.01868	6.2
55.05513	86.5
57.03426	2.0
57.07079	4.8
59.04988	5.4
61.77980	2.1
63.72190	2.1
65.03943	4.0
67.05518	12.0
68.81790	2.0
69.03422	7.4
69.07072	13.0
71.04994	5.8
71.37154	2.2
71.37491	2.3
77.43156	2.1
78.04687	2.5
79.05511	12.6
81.03414	2.0
81.07064	16.3
83.04985	100.0
83.08626	47.4
85.02912	2.2
85.06548	3.2
89.19495	1.7
91.05497	15.7
93.03427	3.6
93.07051	38.0
95.04974	93.9
95.08615	11.9
97.06534	10.5
97.10154	12.7
99.04462	17.7
103.05463	6.4
105.07030	9.0
106.04162	8.3
107.04971	3.1
107.08595	38.3
109.06535	11.2
109.10175	24.8
111.08112	9.5
119.04951	2.3
119.08598	6.1
121.06528	11.8
121.10149	91.7
123.08028	3.4
123.11722	13.2
125.09632	15.0
125.11610	2.0
131.04912	4.6
131.08554	6.7
133.10132	9.6
135.11708	3.7
139.03966	2.1
148.05145	2.2
149.06006	14.2
149.09616	2.8
149.13300	9.2
151.11205	49.7
153.09097	24.4
163.14838	12.8
167.14331	76.9
168.12019	2.4
173.13359	4.3
173.16664	1.9
177.05511	10.0
191.03409	2.3
191.07132	2.3
191.10614	3.2
191.14389	9.5
209.04414	3.5
209.08105	4.9
209.11826	4.0
209.15399	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03942	1.6
55.01882	6.2
55.05515	30.7
56.96563	2.1
57.07067	1.9
59.04997	2.6
65.03928	2.3
67.05509	7.0
69.03442	4.6
69.07080	9.0
69.53943	7.1
71.05001	5.5
79.05498	10.9
81.07056	8.8
83.04984	37.7
83.08194	1.5
83.08626	17.8
85.02894	1.1
85.06545	1.9
88.68890	0.8
89.06023	2.8
91.05495	11.0
93.07047	34.7
95.04972	82.6
95.08617	8.7
97.06543	4.7
97.10162	3.2
98.97581	1.7
99.04450	15.4
99.08075	1.6
103.05463	4.4
105.07040	7.2
106.04193	4.4
107.04939	2.7
107.08597	35.0
109.06521	7.6
109.10154	9.7
111.08085	5.7
113.09657	1.4
115.07535	1.2
117.03364	1.7
119.04916	2.0
119.08580	4.7
121.06512	7.2
121.10149	100.0
123.08047	1.9
123.11680	4.2
125.09635	7.0
131.04916	4.1
131.08580	3.6
133.10136	8.4
134.03665	1.2
135.04443	2.1
135.08083	2.4
135.11716	4.9
137.05997	1.5
139.03893	2.7
145.02824	1.6
145.10126	2.9
147.04372	2.3
149.05984	9.1
149.09583	2.9
149.13271	3.8
150.12778	1.1
151.11188	17.4
153.05431	2.5
153.09111	19.8
159.04402	1.6
163.03906	2.3
163.07524	1.9
163.11153	2.0
163.14815	20.6
165.12695	1.3
167.07013	1.8
167.14326	26.3
173.13239	4.7
177.05482	9.9
181.05031	7.2
181.08571	1.0
191.03397	3.2
191.07011	2.6
191.14325	10.5
194.02013	1.0
209.02754	0.9
209.04535	4.2
209.08116	5.1
209.09868	1.9
209.11833	2.1
209.15366	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.09314	1.8
52.72660	1.7
53.03939	1.9
55.01869	5.1
55.05521	14.8
57.03428	4.2
57.07075	3.6
65.15188	1.7
67.05508	16.9
69.03445	11.4
69.07071	25.8
71.05003	30.4
71.07993	4.1
79.05498	49.1
81.03407	2.0
81.07063	26.9
81.16676	1.7
83.04984	14.2
83.08608	3.3
85.06536	7.3
85.26839	1.9
91.05481	31.8
93.07047	64.5
95.04969	10.4
95.08614	22.6
97.06535	17.3
99.04442	3.7
99.08071	5.0
105.06375	2.7
105.07042	41.8
107.04950	17.8
107.08601	88.6
109.06523	10.9
109.10178	12.5
111.04477	2.9
111.08087	3.0
117.07015	7.5
119.08574	13.8
121.06511	40.4
121.10147	48.7
123.08086	14.4
123.11699	2.2
125.05998	8.9
125.09601	3.5
129.07007	3.5
130.07838	2.6
131.08574	100.0
133.10133	34.7
135.08052	7.4
135.11719	6.6
137.05956	2.3
137.09637	5.8
139.07547	5.3
139.11174	4.6
141.05431	2.0
145.10126	39.2
147.08051	4.3
147.11696	12.8
148.42577	1.8
149.05963	5.2
149.09625	85.3
149.13260	23.3
151.07516	2.4
151.11163	27.7
153.05446	12.5
158.10887	2.3
159.04443	1.9
163.11205	31.5
163.14821	9.4
165.09106	3.1
167.07080	4.7
167.10689	3.9
173.09709	4.3
173.13284	20.3
187.85072	2.0
191.09108	3.1
191.10683	34.5
191.14305	26.0
209.11748	50.4
209.15312	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03955	2.3
55.01866	5.4
55.05505	5.3
57.03432	2.1
57.66913	1.2
58.29749	1.4
65.03919	1.4
65.35011	1.1
66.33078	1.2
67.05505	16.3
69.03410	1.7
69.07072	10.9
69.75014	6.8
71.04999	17.9
79.05497	42.8
81.03424	1.5
81.07057	9.4
83.04984	9.8
85.06537	4.0
87.04408	1.2
91.05480	21.2
93.07047	30.6
95.04968	19.9
95.08611	2.3
97.06522	6.8
99.04424	1.8
103.05492	2.1
105.07032	22.5
106.04137	2.1
107.04958	28.2
107.08597	38.4
109.06508	5.2
111.04417	5.6
111.08089	1.4
113.06048	1.4
116.06233	1.6
116.79655	1.5
117.07029	8.9
119.08594	13.0
120.63518	1.2
121.06509	29.1
121.10152	24.0
123.04441	4.1
123.08044	2.1
125.06029	9.8
129.07005	5.4
130.07773	1.9
131.08571	76.2
133.10123	1.7
135.04417	1.8
135.08031	4.4
135.11662	7.0
136.03737	1.0
137.05980	2.1
137.09558	1.3
139.07515	2.5
141.05556	1.4
143.08592	1.5
145.06499	3.0
145.10114	41.8
147.08032	7.6
147.11699	1.7
149.05966	5.1
149.09624	100.0
151.11121	2.1
153.05463	6.2
153.09108	1.8
155.07068	1.5
155.08565	2.6
163.07529	5.8
163.11188	36.7
165.09106	15.9
167.07057	4.4
167.10692	15.5
173.09627	9.2
191.10674	53.6
209.11745	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	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03931	4.1
55.01878	5.8
55.05515	7.0
57.03426	3.7
65.03943	1.3
67.05503	8.1
69.03418	1.8
69.07073	17.9
71.04997	21.2
71.52336	1.0
76.87936	1.2
79.05494	46.2
81.07073	7.5
83.04988	10.4
85.06494	1.3
91.05482	28.0
92.19036	1.1
92.32407	1.2
93.03397	2.4
93.07047	41.9
95.04971	9.8
95.08617	2.0
97.06535	9.7
98.20725	3.7
99.04433	1.8
103.05468	3.3
104.39678	1.1
105.04533	1.2
105.07034	27.9
106.04160	5.0
107.04961	17.6
107.08592	56.6
108.08965	1.6
109.06516	5.9
111.04436	4.2
117.07021	6.4
119.08573	10.1
119.16897	1.1
121.06508	42.6
121.10140	35.2
123.04419	1.7
123.08031	3.5
125.05998	8.4
125.09589	2.7
129.06995	3.5
130.07776	3.1
131.04898	1.5
131.08569	100.0
133.06520	1.9
134.07317	1.3
135.04410	3.6
135.08066	3.2
135.11664	2.8
137.05969	1.3
139.07487	2.6
141.05455	3.4
143.08517	1.7
145.09013	2.6
145.10121	42.0
147.08017	4.0
149.05992	10.0
149.09621	82.2
151.07568	1.8
151.11151	1.8
153.05458	13.6
153.09081	2.3
163.11201	28.9
165.09148	2.1
167.07066	4.8
167.10704	3.2
167.14320	2.1
173.09596	2.5
177.05476	3.0
191.10672	33.7
209.11728	50.2
209.15111	2.0
210.59227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1173
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.50561	0.8
53.03943	5.0
53.95254	0.7
55.01877	7.9
55.05515	11.5
57.03439	2.9
57.07073	1.2
65.03934	5.4
67.05156	1.4
67.05505	19.6
69.03439	4.5
69.07073	12.2
69.88542	2.7
69.88959	1.5
71.04996	20.2
75.04473	3.2
77.03954	2.4
78.04707	3.7
79.05495	48.8
80.05820	0.6
81.03433	3.1
81.07058	14.3
82.04222	0.9
83.04981	17.5
83.08625	3.1
84.29560	0.7
85.02906	3.6
85.06545	5.6
87.04498	1.2
89.03920	2.2
91.05484	38.8
93.03408	11.2
93.07043	46.0
95.04973	24.6
95.08608	6.4
96.05669	0.8
97.06536	11.9
97.10168	1.0
98.20692	0.8
99.04459	4.4
99.08088	1.5
103.05476	8.6
105.03406	1.5
105.04494	1.4
105.07033	30.6
106.04176	21.5
107.04957	31.6
107.08597	50.7
109.02911	0.8
109.06509	8.5
109.10196	4.2
111.04449	7.5
111.08076	2.7
112.96598	0.8
113.05997	1.3
115.05457	2.1
116.06217	1.5
117.03398	1.4
117.07026	9.1
119.04907	1.4
119.08585	15.5
121.06511	49.7
121.10148	30.9
121.10875	0.7
123.04440	4.0
123.08066	6.3
123.11732	1.1
125.05995	16.0
125.09621	2.4
127.07545	0.7
129.07027	6.7
130.07780	2.0
130.27911	0.7
131.04938	4.4
131.08572	85.5
133.02849	0.9
133.06493	1.7
133.10123	7.8
134.03636	4.0
135.04431	2.5
135.08081	6.7
135.11700	8.6
137.05959	4.8
137.09642	2.1
138.06822	1.1
139.07574	4.0
139.11180	2.1
141.05490	1.8
143.08557	1.3
145.02843	1.5
145.06477	2.9
145.10129	46.2
147.04407	1.0
147.08044	8.5
147.11685	4.6
148.05176	3.1
149.05994	32.0
149.09624	100.0
149.13226	5.5
151.07568	2.2
151.11165	7.3
153.05447	7.7
153.09102	8.3
155.08551	1.9
159.04387	2.3
163.03891	1.3
163.07541	6.7
163.11183	37.5
163.14803	2.4
165.09109	17.8
165.12868	0.8
167.07037	4.7
167.10681	13.5
167.14320	3.3
173.09627	9.2
173.13171	3.4
176.04633	1.2
177.05466	17.6
181.04990	1.3
181.08624	4.1
191.07043	2.9
191.10680	58.2
191.14287	5.8
192.46329	0.7
209.04454	1.7
209.08449	8.0
209.11734	70.8
209.15306	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	209.081
Annotation	Methyl ferulate
Peak:m/z	Relative Intensity
51.02383	1.9
53.03951	9.5
55.01876	19.7
55.05516	8.7
56.96578	1.5
57.03422	3.3
57.07069	1.4
59.50957	1.1
63.70881	1.2
65.03938	13.9
67.05505	12.7
69.03440	7.6
69.07069	12.5
70.23039	5.1
71.05003	6.5
71.35505	1.2
75.04483	11.6
77.03899	2.4
78.04707	12.1
79.05052	1.4
79.05496	16.3
81.03414	3.2
81.07050	10.8
83.04984	8.3
83.08609	4.4
84.46383	1.1
85.02901	9.5
85.06554	2.9
89.03893	5.8
89.06020	2.8
91.05483	52.0
93.03410	26.5
93.07043	28.4
94.04179	1.4
95.04973	23.4
95.08612	9.7
97.06538	15.2
98.20763	1.5
99.04449	3.5
99.08113	1.9
103.05467	21.3
105.03404	3.1
105.04494	3.7
105.07043	9.7
106.04178	76.5
107.04958	9.4
107.08589	15.9
108.05762	1.9
109.05899	1.0
109.06522	8.5
109.10153	7.4
111.04456	3.4
111.08060	3.5
111.11713	3.2
117.03384	4.4
117.07007	2.8
118.04196	2.3
119.04949	4.0
119.08570	4.3
120.05723	1.8
121.06509	83.2
121.10138	12.6
122.07270	2.3
123.04461	7.5
123.08036	4.7
123.11721	2.9
124.05203	2.8
125.05997	22.1
125.09627	5.0
131.04964	8.1
131.08557	10.1
133.02826	2.5
133.06523	2.1
133.10110	4.9
134.03642	12.0
135.04408	4.0
135.08051	7.2
135.11684	5.1
137.05989	13.7
137.09578	2.8
138.06752	4.0
139.07579	7.1
145.02863	6.8
145.10129	9.1
147.04402	3.8
147.08022	1.2
147.11673	4.6
147.39772	1.2
148.05231	9.9
149.05983	100.0
149.09608	15.3
149.13240	6.7
151.03981	2.5
151.07521	3.3
151.11185	7.2
153.05460	8.1
153.06670	1.4
153.09099	17.2
159.04337	1.5
162.03021	1.9
163.03955	1.9
163.07597	5.6
163.11198	6.9
163.14880	3.2
165.05513	1.8
165.09093	1.3
165.12773	5.0
166.06236	5.1
167.07074	2.5
167.10687	2.2
167.14343	4.7
173.09673	1.5
173.13248	5.0
176.04646	2.3
177.05476	47.4
177.07027	2.7
181.08591	20.7
191.07025	6.2
191.10703	10.2
191.14305	13.8
209.04398	1.5
209.06264	1.3
209.08076	23.8
209.09975	1.8
209.11676	8.1
209.15395	14.2
209.18784	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	208.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94893	0.3
52.00894	0.3
53.03951	0.5
55.01882	0.8
55.05508	0.7
55.60770	0.3
56.05037	0.6
56.96567	2.2
57.03441	0.7
58.06598	0.6
68.00258	0.4
68.05029	0.6
69.03446	0.7
70.38990	0.5
70.39334	0.5
71.04968	0.4
73.02961	0.4
79.05496	1.0
80.05030	0.3
81.07059	0.7
83.04976	0.6
85.02913	1.1
85.76411	0.3
86.06091	1.0
91.05485	4.3
93.07056	2.4
94.06522	0.7
95.04975	0.5
97.02911	0.5
97.08897	0.4
98.97601	3.4
99.97914	0.3
100.07620	0.9
101.00906	0.3
102.01548	0.4
103.00520	0.4
105.07047	0.8
106.06648	0.6
107.07363	1.1
107.08585	0.5
108.08102	1.7
109.06522	4.4
110.97594	0.7
111.02070	0.7
111.04440	0.4
112.99157	0.4
116.98590	0.7
117.02067	0.4
118.01033	0.3
119.01850	0.7
119.04958	1.7
120.02580	1.2
121.06522	2.6
122.09674	14.2
123.07938	0.3
124.07625	0.6
124.11220	1.8
128.98615	0.5
129.03096	1.2
129.53052	0.3
131.01857	0.3
133.03401	0.5
137.05972	0.9
140.02417	0.3
141.03073	0.4
143.00104	0.4
147.04416	0.6
150.05530	1.3
150.09152	100.0
151.09512	0.6
153.01816	0.7
156.08534	0.8
157.03470	0.9
161.58342	0.3
163.04405	1.1
163.70622	0.3
166.12271	0.9
167.01956	0.6
170.03384	0.9
177.00821	0.5
178.04987	0.7
184.58492	0.7
185.01349	0.5
185.02948	4.1
190.03552	0.3
191.10677	0.4
203.04033	0.9
208.04581	1.0
208.06230	0.5
208.09824	1.1
208.13341	28.5
219.01781	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03947	1.1
54.37241	1.0
55.01865	1.6
55.05288	1.3
55.05518	14.8
56.96569	3.1
57.07077	3.9
58.56144	1.0
67.05508	22.2
69.03439	8.0
69.07069	17.5
70.12125	1.0
70.62566	2.4
70.62962	2.2
71.04997	2.5
71.06033	1.1
73.46920	1.2
77.69645	1.2
79.05493	14.7
81.03404	2.2
81.07060	33.6
83.04976	2.8
83.08631	7.2
83.58533	0.9
85.06574	1.1
91.04951	1.7
91.05489	24.4
93.07051	35.8
95.04935	1.8
95.08612	64.3
97.06516	3.6
97.10165	5.4
105.07043	53.0
107.08607	38.4
109.06532	2.9
109.10160	23.9
111.08099	5.8
115.96464	2.4
117.07010	1.8
117.44019	1.2
119.04959	1.5
119.08591	66.0
121.10149	21.2
123.08028	7.4
123.11681	8.9
131.08575	6.6
133.10144	51.0
133.10869	0.8
134.10474	1.3
135.11713	9.8
137.09613	2.9
137.13257	3.0
139.11115	1.3
143.08572	1.2
145.10120	6.5
146.10930	1.4
147.04393	3.8
147.08064	1.6
147.11702	42.0
149.09608	4.7
149.13269	62.0
151.07550	1.4
151.11162	3.0
159.11726	2.8
160.12463	2.1
161.02931	1.4
161.13284	13.4
163.11137	1.3
163.14827	5.8
165.12744	1.9
171.11638	1.7
174.14043	3.6
177.16374	2.9
179.08810	1.4
184.09247	1.1
189.12772	3.7
189.16389	100.0
190.16714	2.4
207.02882	1.8
207.06503	3.8
207.10010	2.0
207.11861	2.1
207.13763	10.6
207.17456	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03929	2.4
55.01881	2.0
55.05498	6.8
57.03421	6.0
57.07065	4.9
59.02299	2.0
60.26584	1.5
65.83545	1.6
67.05521	13.0
69.03426	7.3
69.07079	9.0
71.04973	4.6
76.92782	1.6
77.03928	2.0
77.96074	1.5
79.05499	14.1
81.03422	2.3
81.07061	19.4
83.04977	5.5
83.08611	3.3
85.02933	1.7
85.06532	7.6
87.36620	1.6
91.05485	16.2
93.06477	1.8
93.07043	27.6
95.04970	3.4
95.08034	2.9
95.08609	37.0
95.34351	2.0
97.06534	2.7
97.10167	1.8
99.04447	2.3
99.08085	2.8
105.07037	29.1
107.08598	63.5
109.02884	2.0
109.06501	6.5
109.10177	14.3
111.04450	2.4
111.08054	2.0
111.37022	1.6
119.04936	2.1
119.08583	40.8
121.06440	2.3
121.10146	14.3
123.08115	13.6
123.11703	10.6
128.91075	1.7
131.08522	2.6
133.10143	44.5
135.11699	100.0
137.09622	16.9
137.13217	2.2
145.10123	4.9
147.04404	2.5
147.11688	37.5
149.09616	5.8
149.13284	10.1
151.07578	3.7
151.11163	16.4
161.13258	7.6
163.14842	9.3
165.12680	5.0
175.03888	2.4
189.05479	2.1
189.12778	3.2
189.16389	80.5
207.02905	5.0
207.06467	3.8
207.10101	2.2
207.14030	8.4
207.17441	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	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
51.87393	0.9
53.03938	2.0
55.05512	8.9
57.03422	2.7
57.07069	3.5
59.04988	1.5
64.22969	0.9
65.03902	1.0
67.05509	12.7
67.13433	0.9
69.03423	2.7
69.07067	9.8
70.80139	1.9
71.04986	1.7
75.67288	0.8
79.05497	10.0
81.07056	17.3
83.04962	2.9
83.08609	3.4
85.06535	5.4
91.05483	12.5
93.07051	31.3
95.04974	2.3
95.08047	1.6
95.08612	29.6
99.08084	1.0
105.06371	1.9
105.07033	27.9
107.08599	65.5
109.06515	5.8
109.10152	15.8
111.08076	3.3
113.09626	1.7
119.04949	1.2
119.06052	1.0
119.08582	40.3
121.10147	12.3
123.08099	8.4
123.11690	9.5
125.09628	1.0
127.07539	2.1
131.08540	2.8
133.10132	42.0
135.11700	100.0
137.09622	10.8
137.13237	1.9
145.10141	3.7
147.11690	31.4
149.09558	1.6
149.13271	10.7
151.11200	16.0
159.11723	1.3
160.12494	1.3
161.13222	6.6
163.14821	13.0
165.12773	2.8
165.16367	1.2
174.14154	1.3
189.16391	82.4
190.16823	1.2
207.13857	4.0
207.17453	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03920	2.1
55.05503	7.7
57.03432	3.6
57.07067	6.1
65.95934	1.7
67.05515	17.0
69.03453	8.9
69.07069	14.2
69.82563	9.9
71.04986	2.3
75.33270	1.5
77.03903	1.8
79.05496	15.0
81.07058	25.2
83.04978	4.7
83.08625	4.0
85.02935	2.6
85.06529	7.5
91.05492	20.6
93.07050	37.6
95.04977	3.9
95.08038	3.5
95.08611	44.9
97.06526	4.5
97.10168	1.7
98.21381	2.1
105.07034	35.8
107.08601	64.2
109.06494	9.1
109.10152	18.5
111.08069	4.7
115.96406	2.5
117.07027	1.6
119.04960	3.4
119.08583	49.2
121.06521	2.4
121.10136	14.3
123.08096	14.1
123.11687	11.8
129.07095	1.7
131.08524	1.7
133.06474	1.9
133.10143	57.1
135.11702	100.0
137.09612	14.2
143.08568	1.8
145.10095	6.5
146.10957	2.3
147.04372	3.8
147.08040	2.0
147.11681	36.5
147.12773	3.0
149.09607	8.6
149.13261	16.2
151.11205	15.3
159.11723	3.3
161.13249	10.7
163.14827	16.7
165.12747	3.8
171.11588	2.1
179.06941	1.6
179.14380	2.0
189.12779	4.4
189.16391	88.2
192.09322	2.1
207.02948	3.5
207.06490	6.3
207.13843	13.4
207.17445	73.7
221.43936	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
50.34223	0.9
53.03953	0.9
55.05512	8.7
57.03434	4.3
57.07087	4.4
59.04986	1.1
65.03923	1.3
67.05509	10.0
67.12411	1.0
68.91496	0.8
69.03410	4.0
69.03778	0.8
69.07067	10.2
70.73448	2.1
70.81447	0.9
71.04976	2.9
78.98237	0.8
79.05493	11.6
81.07055	18.8
83.04984	4.4
83.08605	3.4
85.06543	6.3
91.05480	13.8
93.06459	1.7
93.07047	31.2
95.04965	3.1
95.08610	36.3
97.06506	1.7
97.10154	1.3
101.80888	1.0
103.05430	1.4
105.07032	30.6
107.08597	67.5
109.06532	5.6
109.10161	14.3
111.08060	3.4
113.09657	1.3
115.96451	1.1
117.07050	1.6
119.04945	1.8
119.08588	45.3
121.10155	13.7
123.08080	12.5
123.11687	7.8
127.07582	1.3
131.08539	2.6
133.06529	1.2
133.10138	48.7
135.11694	100.0
136.12022	1.3
137.09610	11.4
137.13306	2.3
139.04138	1.0
145.10107	3.5
146.10814	1.6
147.04311	1.7
147.07997	1.1
147.11690	37.2
149.09605	3.2
149.13254	10.6
151.11176	14.6
159.11673	1.9
160.12482	1.2
161.13257	7.6
163.14813	13.1
165.12735	3.1
171.11475	1.0
189.16385	90.9
190.16708	2.0
207.06506	2.2
207.11954	1.8
207.13869	5.1
207.17442	62.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1744
Annotation	beta-Irone
Peak:m/z	Relative Intensity
53.03936	1.9
53.32708	1.1
55.05512	7.1
57.03417	4.3
57.07056	5.1
57.19338	1.0
61.58658	1.3
65.03938	1.2
67.05518	8.9
67.39019	1.0
69.03415	3.2
69.07074	9.9
70.65913	3.3
71.04985	3.3
77.47964	1.3
79.05491	10.1
81.07056	20.3
83.04962	3.7
83.08606	2.7
85.06514	4.7
85.14735	1.2
91.05486	16.0
93.07050	32.6
95.04951	3.9
95.08613	30.6
97.06537	2.3
105.07037	29.8
107.08597	62.8
109.06525	6.9
109.10154	14.5
111.08100	2.6
115.96441	1.5
117.07003	1.8
119.08587	45.6
121.09386	1.4
121.10146	9.6
123.08052	7.8
123.11707	7.7
127.07543	2.2
127.96256	1.2
131.08600	2.0
133.10139	46.5
135.11699	100.0
137.09625	10.1
137.13231	1.6
145.10100	3.1
147.08086	2.0
147.11687	32.3
149.09697	2.4
149.13283	9.6
151.07610	1.6
151.11188	19.0
161.05965	1.4
161.13261	8.9
163.14839	15.4
165.12697	2.7
189.16393	83.3
198.38672	1.2
205.09482	1.2
207.06512	1.7
207.13803	4.8
207.17450	58.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	2.1
55.01866	2.7
55.05504	8.1
57.07064	2.9
59.04992	3.4
67.05505	31.2
69.03429	14.1
69.07046	6.0
70.47237	5.9
71.04989	4.1
74.59019	1.9
79.05489	11.1
81.03425	2.2
81.07040	9.9
83.05005	10.8
85.02890	3.4
85.06554	8.5
91.05484	17.7
93.07040	20.8
95.04960	6.9
95.08610	100.0
97.06537	4.1
98.79189	1.5
99.04473	1.8
99.08099	1.6
103.05496	2.0
105.07034	37.7
107.04956	2.1
107.08597	38.5
109.06526	30.1
109.10163	6.1
111.04473	2.7
111.08068	3.8
113.05989	4.1
117.07022	5.4
119.04936	3.6
119.07771	3.4
119.08585	48.6
120.09327	1.5
121.06519	9.4
121.10155	30.6
123.04485	2.4
123.08073	71.8
123.11703	9.2
127.32413	1.5
129.06985	1.9
131.08592	10.6
133.06519	4.6
133.10159	12.0
135.08049	8.9
135.11667	5.1
137.09608	17.8
137.13229	3.1
138.88681	2.0
139.07570	1.7
143.08568	3.4
145.06523	1.7
145.10124	7.7
147.04407	2.6
147.08043	12.5
147.11682	27.7
149.09625	72.5
151.07506	7.8
151.14812	3.2
153.09178	2.3
156.09346	7.5
159.08066	3.8
159.11760	1.9
160.08868	3.5
161.05972	2.9
161.09642	6.2
161.13251	32.7
161.60281	1.6
163.11162	11.2
165.09128	4.1
165.12772	15.0
171.11752	8.4
174.10437	9.5
175.03909	2.9
179.07034	3.2
179.14323	3.9
189.12755	39.4
207.06546	3.5
207.13814	62.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.32012	0.4
53.03923	0.8
55.01870	1.2
55.05515	2.7
56.96551	1.4
57.07072	1.0
59.05005	3.1
65.03936	2.0
67.05512	5.0
68.99786	0.8
69.03431	5.4
69.07053	2.4
69.48729	2.6
69.49137	0.9
71.04995	3.1
71.08604	0.4
76.23280	0.4
77.03910	0.5
78.19820	0.4
79.05487	6.3
81.03420	1.5
81.07062	5.3
83.04978	3.8
83.08604	0.9
85.02913	5.5
85.06536	1.2
91.05481	17.6
92.06256	0.6
93.03402	1.1
93.07045	10.8
95.04982	5.0
95.08028	0.9
95.08604	11.1
97.06519	2.2
98.97551	1.3
99.04430	1.1
103.05465	2.5
104.07560	0.5
105.03400	0.5
105.07024	17.6
106.04190	1.1
107.04953	2.3
107.08598	10.6
108.05756	2.5
109.06523	6.3
109.10154	3.0
111.04469	0.8
111.08066	1.2
115.05425	0.5
116.06243	0.7
117.06985	1.1
118.04150	1.7
119.04945	14.2
119.08585	13.2
121.02863	1.6
121.06520	6.8
121.10148	11.0
122.07256	0.4
123.04439	3.8
123.08067	19.6
123.11709	6.2
125.05983	1.3
125.09649	0.5
128.06252	0.8
129.07002	1.4
130.07765	0.4
131.04959	0.5
131.08556	3.6
133.02815	0.9
133.06488	5.2
133.10138	6.4
135.04454	0.9
135.08012	1.6
135.11653	1.0
136.05211	5.1
137.06004	1.3
137.09593	4.7
137.13235	1.2
143.08545	2.6
145.06471	0.8
145.10109	2.8
146.03636	3.2
147.04411	10.6
147.08031	3.7
147.11687	9.0
148.05170	0.5
149.02357	10.7
149.05972	1.8
149.09619	100.0
150.09962	0.8
151.07549	8.8
156.09332	2.7
159.08080	1.1
159.11687	0.8
160.08916	0.7
161.05984	5.0
161.09616	4.8
161.13268	7.6
163.03897	3.2
163.11176	2.2
164.03276	0.8
164.04686	15.4
165.09102	0.8
165.12749	8.2
171.11707	7.2
174.03127	3.5
174.10391	2.9
175.03923	1.9
177.05444	0.9
179.03409	1.2
179.07034	12.5
179.14201	0.7
189.05513	0.5
189.09081	1.7
189.12747	23.5
189.16391	1.4
191.03377	1.0
192.04192	5.6
196.08679	0.5
207.03220	0.9
207.06525	31.7
207.09938	1.8
207.10278	1.8
207.13800	61.3
207.17422	1.9
208.06848	1.0
208.14212	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03954	0.7
55.01868	0.7
55.05519	2.4
57.03442	0.6
57.07078	1.1
59.05004	4.8
62.86660	0.4
65.03946	1.2
67.05511	4.0
68.99814	0.6
69.03436	4.7
69.07070	1.6
69.38623	1.7
69.39046	1.4
71.04997	3.4
77.03921	0.7
79.05496	5.0
81.03422	1.3
81.07056	5.0
83.04991	3.5
83.08590	0.4
84.69398	0.4
85.02905	2.7
85.06554	1.0
89.03880	0.4
91.04950	0.7
91.05485	10.3
93.03407	0.8
93.07055	7.7
95.04969	3.9
95.08611	8.7
96.01159	0.4
97.06545	2.0
98.97609	0.9
99.04474	0.6
99.08089	0.5
103.05473	1.5
105.03397	0.7
105.07036	15.1
107.04979	1.5
107.08599	10.4
108.05762	1.1
109.06534	7.8
109.10174	2.0
111.08089	1.3
113.06024	0.5
115.05459	0.8
116.06311	0.4
117.07028	0.7
118.04169	1.0
119.04961	8.3
119.08587	10.7
121.02872	1.0
121.06517	5.2
121.10151	9.1
122.07269	0.4
123.04440	1.6
123.08076	21.7
123.11700	4.3
125.05990	0.6
125.09676	0.5
128.06223	0.9
129.07021	1.0
131.08588	2.5
133.06511	4.2
133.07483	0.6
133.10149	4.3
135.04440	0.6
135.08075	1.5
135.11705	0.7
136.05215	2.7
137.06001	0.7
137.09598	3.9
137.13196	0.6
141.06999	0.6
143.08542	2.6
145.06499	0.6
145.10123	1.9
146.03604	2.1
147.04416	6.2
147.08041	4.4
147.11694	8.4
147.50043	0.4
148.05153	0.5
149.02357	5.5
149.09625	100.0
150.09972	0.6
151.07553	6.0
156.09320	3.8
156.61794	0.4
159.08026	0.9
159.11717	0.9
160.08824	0.6
161.06024	1.1
161.09659	1.8
161.13277	7.6
163.03978	2.1
163.11203	1.1
164.04694	7.2
164.11992	0.5
165.09161	0.8
165.12764	5.5
167.48625	0.4
171.11687	7.6
174.03181	2.2
174.10382	2.3
175.03906	1.7
177.05479	0.7
179.03481	0.9
179.07039	5.6
189.09120	0.9
189.12755	21.4
192.04193	2.4
207.06534	16.7
207.13809	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05510	1.1
59.04999	1.3
67.05498	2.7
69.03418	2.7
71.03771	2.5
71.04993	2.9
79.05487	2.5
81.07053	3.3
81.28893	1.1
82.93142	0.9
83.04965	2.7
84.43735	1.0
91.05469	4.3
93.07037	4.3
95.04968	1.8
95.08601	4.7
105.07018	11.1
107.08620	6.1
109.06513	3.7
109.10168	1.3
110.23220	1.1
119.04919	1.7
119.08553	7.1
121.06485	1.9
121.10126	8.5
123.08062	12.1
123.11738	3.0
131.08540	2.8
133.06508	2.7
133.10126	3.4
134.25208	1.1
137.09633	4.4
138.10391	1.0
138.12383	1.1
143.08563	3.1
145.10103	1.3
147.08080	3.6
147.11659	6.5
149.09624	100.0
151.07544	2.4
156.09410	2.9
159.08086	1.2
161.13217	5.6
165.12712	6.4
171.11694	7.2
174.10408	2.4
176.89687	1.3
179.49762	1.2
189.12753	24.4
207.13817	58.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.18274	0.5
53.03938	0.8
55.01872	0.6
55.05501	1.1
57.07065	0.6
59.05008	2.7
67.05497	2.4
69.03424	3.2
69.07068	1.6
69.33717	2.4
69.34143	2.3
70.21809	0.6
71.04982	3.0
79.05491	4.4
81.07068	3.8
83.04977	3.2
85.02834	0.5
85.06554	0.7
91.05475	6.8
93.07037	6.5
95.04964	1.7
95.08604	8.6
97.06525	2.0
103.05466	0.8
105.07032	12.6
107.04979	1.0
107.08593	9.0
109.06530	6.0
109.10148	1.0
111.08065	0.7
117.07030	0.6
119.04970	4.0
119.08582	8.5
121.06487	2.9
121.10138	8.7
122.07307	0.8
123.08069	16.5
123.11729	2.6
129.07030	1.0
131.08597	2.6
133.06493	3.5
133.10132	2.8
135.08096	1.2
135.11681	0.5
136.05154	0.8
137.09599	3.0
143.08545	2.0
145.10141	1.8
147.04391	2.1
147.08040	3.6
147.11703	6.6
149.02339	1.7
149.09622	100.0
150.09911	0.7
151.07573	2.7
155.04559	0.5
156.09334	2.8
159.08107	1.1
159.11664	1.0
161.06003	1.4
161.09608	2.2
161.13274	7.6
163.11177	0.6
164.04709	2.3
165.12778	6.1
171.11694	6.5
174.10428	2.2
179.07030	2.0
189.09100	0.8
189.12750	22.1
192.04179	1.3
207.04861	0.7
207.06514	3.9
207.13809	54.2
211.01024	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	2.6
55.01860	3.5
55.05516	10.8
57.07056	4.5
58.62416	1.9
59.04974	2.5
61.12305	1.6
65.99513	1.9
67.05503	15.4
68.98490	1.6
69.03425	10.5
69.07049	6.8
69.92977	7.2
69.93388	4.2
71.04984	2.9
79.05478	7.5
81.03397	2.6
81.07065	9.8
83.04974	4.9
85.02917	9.5
85.06518	5.9
91.05464	27.4
93.07049	12.5
95.04964	6.2
95.08607	41.8
101.54389	2.2
103.05438	2.2
105.07028	52.0
107.04933	5.5
107.08596	25.7
109.06521	14.7
109.10143	5.7
115.05431	2.2
116.06305	1.9
117.07004	5.9
119.04935	4.5
119.08579	100.0
121.06496	8.8
121.10144	19.8
123.04401	3.1
123.08068	32.5
123.11684	8.4
128.06236	3.7
129.06992	5.3
130.07784	2.9
131.04938	2.7
131.08571	11.1
132.09334	2.0
133.06503	9.0
133.10139	30.0
135.08035	4.5
135.11714	6.1
137.06010	2.6
137.09608	5.7
137.13263	2.8
139.07515	3.4
143.08546	6.2
145.10138	13.3
147.04430	4.1
147.08022	11.0
147.11684	52.8
147.84821	1.8
149.09612	32.3
151.07509	9.5
156.09360	12.3
159.08055	2.6
161.05981	24.8
161.09647	12.3
161.13257	85.4
163.11186	27.7
164.04686	3.8
165.09163	2.1
165.12703	5.5
168.90974	1.8
171.11659	9.3
174.10378	8.0
179.06993	2.9
179.14215	3.8
189.09163	10.0
189.12747	91.0
207.06586	6.9
207.10214	4.0
207.13806	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
55.05512	6.6
55.35262	1.9
57.07069	4.3
65.03939	2.1
67.05162	2.3
67.05509	31.8
67.39974	1.8
69.03423	5.4
69.07056	2.7
69.86404	1.7
69.95122	9.2
79.05491	6.2
81.07056	8.0
83.04984	2.2
85.02882	4.7
85.06556	9.2
91.05490	11.0
93.07047	15.3
95.04964	5.6
95.08611	100.0
105.07034	20.5
107.08582	20.9
108.89661	1.8
109.06513	7.4
109.10168	3.4
109.84033	1.8
113.06015	4.4
117.07050	2.2
119.07773	2.9
119.08585	33.6
120.09319	1.7
121.06530	5.0
121.10146	21.0
123.08077	53.6
123.11704	7.5
131.08568	6.3
133.06519	3.5
133.10147	6.5
135.11662	3.4
135.90613	2.2
137.09644	6.3
143.08583	3.8
145.10107	2.6
147.08067	5.7
147.11652	14.5
149.09627	57.2
151.14839	2.8
155.63724	1.9
156.09367	3.4
159.08095	2.0
161.09659	3.2
161.13243	19.4
163.11240	1.9
165.12758	11.7
171.11687	3.9
174.10376	5.5
179.14229	1.8
189.12753	22.1
207.13809	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.04773	0.8
53.03939	2.1
55.05513	13.5
56.96553	1.5
59.04996	2.4
65.03946	1.3
66.35609	0.8
67.05488	3.2
69.03430	30.0
69.07058	1.5
69.92005	5.3
71.04976	0.9
77.03883	0.9
79.05505	6.1
81.03355	1.1
81.07049	3.5
83.04963	3.4
91.05484	14.3
93.07060	8.2
95.04967	3.0
95.08619	7.6
97.02866	1.1
98.20802	1.4
98.97586	1.9
102.62033	0.9
103.05468	3.5
105.07034	16.0
107.04968	4.8
107.08604	9.0
108.05708	1.0
109.02844	1.3
109.06535	6.7
109.10158	1.2
115.05401	1.1
117.06996	2.6
117.70712	0.9
119.04926	2.0
119.08573	10.0
120.09388	1.2
121.06509	70.7
121.10171	6.0
123.08072	20.9
123.11654	1.6
128.06224	1.4
129.07014	1.2
130.07809	2.9
131.05032	1.0
131.08606	1.7
133.06497	38.4
133.07523	1.9
133.10100	3.8
135.08040	8.6
135.11652	2.1
137.09651	2.2
143.08510	2.0
145.10103	3.6
147.04378	1.8
147.08025	3.0
147.11691	4.7
148.08769	1.0
148.28198	0.9
149.02309	1.4
149.09627	21.7
151.07552	3.6
159.08066	1.4
161.05963	5.0
161.09610	3.8
161.13239	3.1
163.11189	100.0
164.04666	1.9
165.09149	1.8
165.12730	3.3
171.11838	1.9
174.10417	1.8
175.03903	1.1
179.06989	2.0
183.10133	2.0
187.08031	1.2
189.09126	2.6
189.12730	10.4
207.06519	3.3
207.10350	2.0
207.13818	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03938	6.8
55.01868	4.0
55.05513	19.9
57.03432	2.4
57.07077	6.4
58.83278	1.8
59.05008	3.3
59.40621	2.0
64.60438	1.9
65.03967	4.3
67.05511	52.7
69.03071	4.1
69.03436	69.1
69.07076	28.4
70.96175	5.0
71.04982	7.1
79.05104	3.0
79.05501	28.3
81.03422	14.2
81.07060	24.7
83.05001	16.7
83.08605	6.3
85.02924	2.6
85.06568	3.1
90.93504	2.0
91.05496	27.6
93.07046	26.8
95.04973	34.6
95.08621	29.1
97.02869	5.5
97.06520	13.0
98.97576	9.8
99.04489	2.4
105.07041	57.1
107.04967	6.4
107.08607	47.5
109.06538	27.5
109.10151	12.1
110.07308	6.8
111.08117	11.6
117.07025	7.3
119.04955	2.2
119.06120	2.7
119.08591	50.6
121.06534	9.9
121.10139	30.7
123.04440	59.5
123.08078	21.1
123.11712	7.5
125.09650	3.3
129.07022	4.4
130.07758	3.1
131.08580	7.4
133.06505	10.1
133.10138	75.3
135.08084	4.8
135.11696	9.0
137.06012	14.1
137.09613	13.6
137.13348	2.7
143.08557	5.2
145.10121	9.8
147.08086	11.6
147.11684	21.6
149.09622	28.5
151.07568	10.5
151.11205	2.6
156.09378	11.4
158.99670	5.7
159.11670	6.2
161.09636	6.6
161.13261	37.8
163.11189	19.5
165.09111	6.0
165.12758	7.4
171.11667	14.0
174.10394	6.7
174.99825	2.0
175.03934	7.0
177.00682	2.6
177.12718	5.0
179.14296	6.4
189.09111	5.9
189.12769	32.8
192.04378	2.2
200.87930	2.3
207.06456	3.2
207.13821	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1382
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.2
53.53704	1.0
55.05513	14.9
56.44741	1.1
57.07058	1.1
59.04987	3.4
61.48590	1.1
65.03928	1.0
67.05516	5.8
69.03069	2.2
69.03434	34.6
69.07056	2.5
69.77467	3.9
71.04986	2.5
73.43033	1.1
77.03934	1.5
79.05499	10.4
81.03416	1.3
81.07072	5.1
83.04980	4.8
85.02864	1.8
85.06548	2.0
91.05480	12.8
93.07054	12.7
95.04966	3.8
95.08618	15.0
97.06518	2.4
97.42697	1.0
98.97562	1.6
103.05455	2.6
105.06374	1.8
105.07038	24.0
107.04896	2.5
107.08606	15.8
108.05689	1.3
109.06532	11.3
109.10201	1.4
111.08089	1.0
117.06999	2.5
119.04929	4.0
119.08586	14.8
121.06516	67.4
121.10148	12.2
123.08073	34.1
123.11692	4.2
129.07062	2.1
130.07761	2.1
131.08546	3.8
133.06499	37.1
133.07510	1.2
133.10170	5.1
133.34291	1.0
135.08052	11.7
135.11673	4.0
137.09592	3.4
137.13287	2.4
143.08546	2.2
144.05620	1.3
145.10164	4.9
146.03606	1.3
147.04497	2.4
147.08023	4.8
147.11716	11.2
148.05226	1.2
149.02325	2.4
149.09628	73.9
151.07565	5.7
156.09314	1.8
158.99669	1.4
159.08110	1.5
159.11696	1.1
161.05974	3.9
161.09654	3.2
161.13266	8.3
163.11192	100.0
164.04747	1.6
164.11539	1.4
165.09166	1.5
165.12737	7.0
166.16467	1.0
171.11699	4.7
174.10420	3.4
175.03922	2.6
176.08080	1.2
177.09143	1.1
179.07083	2.1
179.14331	1.3
189.09140	2.2
189.12769	23.6
207.06546	6.4
207.13814	74.9
208.13971	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1016
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
51.02377	1.2
53.03934	1.9
55.01862	3.6
55.05504	3.0
55.63022	0.8
56.96564	2.5
57.03424	3.2
65.03914	2.2
67.05168	1.6
67.05505	21.4
69.03434	6.7
69.07056	1.6
70.72411	3.1
71.04983	1.3
71.14733	1.0
77.03907	1.0
79.05495	12.7
81.03410	3.1
81.07055	3.8
83.04980	4.5
85.02883	3.1
85.06551	0.9
91.05483	64.0
93.07046	8.1
95.04968	8.9
95.08607	4.8
96.08118	0.9
97.02890	0.8
97.06541	1.2
98.36327	1.0
98.97596	2.8
99.04439	1.9
103.05440	3.5
105.03368	2.5
105.07031	48.8
107.04944	4.3
107.08614	4.8
109.02864	1.0
109.06510	3.0
109.10171	2.4
110.05666	1.0
111.04432	1.6
115.05420	3.8
116.97544	0.9
117.07024	14.3
119.04966	5.9
119.08582	75.4
120.87313	1.1
121.02895	1.1
121.06522	6.4
121.10146	3.5
123.04453	5.4
123.07293	1.1
123.08015	4.9
123.11710	1.9
124.11222	2.3
125.05981	1.1
128.06224	11.7
129.07005	26.6
131.08533	3.4
133.02821	1.6
133.06490	2.6
133.10138	10.0
135.08049	1.8
136.05241	1.1
137.05963	1.6
137.09605	3.2
141.05458	2.5
143.08568	29.7
145.06462	7.5
145.10130	2.4
147.04393	5.3
147.08046	100.0
147.11700	5.1
149.02312	2.5
149.06088	1.2
149.09604	3.9
151.03926	1.1
151.07539	3.0
153.06970	3.3
161.05962	3.3
161.09624	16.7
161.13249	2.9
163.11125	1.8
164.04727	2.9
165.05489	3.2
165.09102	10.9
165.12744	2.1
171.08055	4.8
171.11794	1.3
175.04022	1.5
178.45050	0.9
179.03418	2.3
179.05389	2.2
179.07002	3.9
179.10619	2.5
189.09105	16.0
189.12732	2.1
192.04237	1.4
207.02914	7.4
207.04819	1.5
207.06520	8.4
207.10159	32.2
207.13518	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	206.088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50479	0.4
53.03936	0.6
55.01876	0.5
55.05510	6.5
56.96568	15.2
57.03433	1.2
57.07062	1.2
59.05001	0.6
61.02920	1.0
65.03938	0.6
67.05502	8.1
69.03430	8.4
69.07061	2.4
71.61111	0.5
71.95255	1.5
73.02905	1.0
79.05494	3.0
79.57220	0.4
81.03416	0.6
81.07057	10.5
82.07401	0.6
83.04990	6.1
83.08601	1.5
84.96033	0.9
85.02894	1.9
85.06541	0.7
85.18703	0.4
87.04459	0.6
91.05468	2.7
93.07056	2.7
95.04969	1.3
95.08605	9.0
97.02874	2.7
97.06515	0.6
97.96826	0.5
98.97584	100.0
99.97923	1.5
100.82075	0.4
105.06990	2.6
105.37985	0.4
107.08592	3.9
108.05722	0.7
109.00558	0.4
109.06514	8.3
109.10158	28.6
110.10471	1.1
110.97573	5.5
111.08086	2.1
116.98623	37.4
117.98990	0.7
119.04984	0.7
119.08582	4.4
121.10164	3.5
122.07275	0.6
123.08067	24.9
123.11730	1.6
124.08342	1.0
125.09618	0.7
127.03992	0.6
128.98601	6.2
132.04443	2.6
133.10127	3.1
134.99657	8.1
135.11697	6.7
137.09612	11.7
138.10474	2.9
139.11192	1.0
140.00212	1.8
143.00160	1.4
146.99673	3.2
147.11740	0.5
149.02365	0.7
149.09583	0.9
149.13234	1.0
150.02667	1.0
151.11182	11.3
151.14786	3.0
152.11548	1.1
158.01283	0.7
158.99655	33.0
159.99988	1.7
161.01256	1.4
161.09589	1.1
165.16368	1.4
170.99654	1.8
171.04910	1.9
175.14792	2.6
177.00722	28.0
178.01088	1.1
178.04977	9.0
178.56082	0.6
179.03732	0.6
179.05412	0.5
180.05432	2.7
182.99730	1.0
185.08211	0.7
189.00726	1.6
191.14311	0.6
193.15881	24.4
194.16267	2.4
195.01819	1.0
197.04926	0.7
200.02396	1.9
201.00818	1.2
206.04430	4.0
206.06151	0.6
206.08815	1.4
207.06624	0.7
215.09341	4.4
215.59657	0.6
219.01770	1.3
226.60196	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0772
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	10.4
65.03924	2.6
71.60531	2.5
77.00910	3.1
82.99821	2.3
98.01617	1.7
98.97570	7.5
100.02477	5.2
101.00881	23.3
102.00995	2.5
116.98598	4.2
118.03484	2.2
119.01920	73.3
120.01989	6.6
121.01666	11.4
122.02007	2.5
124.02441	6.7
131.01884	2.1
134.99640	2.3
137.02959	19.8
138.03040	2.2
139.02672	4.1
142.03502	100.0
143.03609	4.2
144.03258	3.1
145.03400	1.7
146.03177	3.5
146.99712	2.5
149.02278	2.2
150.02715	3.0
155.01921	2.8
155.03740	2.3
160.04553	34.2
161.02946	6.2
162.04266	2.3
164.03293	2.2
165.05096	3.4
171.01364	2.5
173.01102	2.3
173.03035	2.1
177.00941	4.0
178.01062	2.0
182.99641	12.9
183.01414	11.4
183.02975	3.3
183.04858	3.3
183.06288	6.3
184.02213	2.0
184.04538	5.2
188.99190	2.8
191.14336	3.3
191.99524	3.0
200.49947	7.4
201.00653	27.8
201.02449	43.4
201.04314	4.2
201.05902	3.9
201.09692	4.6
206.03064	2.4
206.05215	12.6
219.01724	5.3
219.03494	15.4
219.10713	3.8
224.04013	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	206.0448
Annotation	Xanthurenic acid
Peak:m/z	Relative Intensity
57.78196	0.2
70.65546	0.8
72.11964	0.3
72.81907	0.3
81.09727	0.3
82.44208	0.3
89.64211	0.3
104.04992	0.4
107.47337	0.3
127.66431	0.3
132.04453	24.0
160.03938	1.0
169.56975	0.3
178.04994	100.0
179.05443	0.4
201.06627	0.3
206.04485	53.2
207.04819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
54.33631	2.0
54.42682	2.0
55.05514	14.4
56.96568	14.5
57.07070	21.7
60.04498	5.7
65.03949	23.7
65.72411	2.1
67.05510	25.8
69.03412	4.2
69.07074	22.6
70.78308	6.5
71.04971	2.3
74.11868	2.1
79.05488	16.9
80.84930	1.9
81.03405	2.9
81.07061	98.6
83.04546	2.5
83.04987	30.0
83.08594	7.0
84.04472	2.6
85.02908	4.8
85.04799	4.3
89.03886	5.7
91.05483	26.8
93.06564	2.5
93.07050	31.4
95.04941	6.0
95.08056	3.2
95.08614	49.8
97.02859	10.1
97.04820	3.9
97.06488	2.6
97.10117	2.3
98.03203	3.5
99.04426	2.8
100.02444	2.8
103.05466	3.6
104.04872	2.1
105.07039	83.7
107.08603	34.8
109.02851	3.8
109.06499	3.7
109.10117	8.1
115.05427	4.2
117.03333	3.1
117.07027	21.1
119.00122	2.5
119.08581	61.4
120.81400	1.9
121.02871	14.0
121.06492	11.5
121.10144	25.2
123.11713	74.3
126.05518	2.9
127.03852	3.2
127.05846	4.5
129.06964	7.1
130.07773	5.0
131.08566	54.3
133.09216	3.7
133.10136	44.0
135.04398	2.5
135.08009	9.7
135.11665	7.1
143.08533	7.6
144.09285	5.9
145.02840	31.7
145.06422	5.3
145.10133	98.5
147.07999	3.7
147.11681	28.0
149.02351	100.0
149.05948	2.6
149.09592	3.6
149.13249	3.4
157.10095	4.4
158.10873	4.9
159.01364	2.9
159.08064	3.4
159.11685	25.7
161.13197	6.6
163.02756	4.9
163.07585	2.2
163.11121	8.3
163.14803	4.2
171.01184	3.4
172.12466	3.4
172.60910	2.8
173.02365	3.2
173.05933	4.1
173.13266	37.0
175.14830	86.8
177.05475	2.6
177.09038	3.4
177.12686	4.9
177.16389	19.8
187.11249	3.4
187.14835	54.7
190.08693	2.6
199.98805	2.6
205.04996	80.1
205.06784	10.3
205.08739	7.8
205.12115	14.8
205.14183	8.2
205.15811	91.6
205.18829	3.5
205.19600	2.9
206.05136	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	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
53.03930	2.3
55.01865	2.2
55.05515	14.8
56.96580	8.8
56.96792	1.8
57.07078	14.3
57.51466	1.7
60.04520	2.8
65.03936	10.8
67.05508	15.1
69.03412	4.3
69.07066	16.5
69.67854	7.4
69.68253	3.5
78.22371	1.8
79.05503	16.6
81.03403	4.0
81.07057	46.4
83.04974	9.2
83.08593	3.8
84.01193	2.2
85.02876	2.9
85.04832	4.3
89.03902	3.5
91.05479	21.5
93.03397	2.5
93.07053	32.8
95.04954	4.2
95.08049	2.3
95.08613	41.4
97.02901	10.7
97.04782	2.3
97.06502	2.6
97.10177	2.0
98.03201	3.0
98.21496	1.8
102.02154	2.1
105.07034	55.9
107.04955	2.3
107.08598	44.2
109.02850	5.3
109.06505	4.3
109.10159	16.3
111.08086	16.5
114.05399	2.2
117.03355	2.8
117.07028	12.1
119.00157	2.6
119.08593	41.5
121.02834	11.1
121.03947	3.0
121.06483	10.5
121.10149	36.4
122.91544	2.7
123.08035	3.2
123.11730	22.5
127.03860	3.3
127.05838	5.6
129.07030	3.2
130.07759	4.8
131.08566	23.4
133.10147	19.6
135.07999	6.7
135.11682	12.5
137.09589	6.5
142.07829	1.9
143.08537	6.1
145.02859	13.7
145.09056	3.3
145.10138	60.8
147.07993	2.2
147.10634	3.1
147.11690	41.9
149.02353	76.8
149.09563	6.7
149.13287	9.3
157.10066	4.1
158.10924	4.3
159.11705	16.8
161.13213	9.2
162.10316	2.1
163.02739	6.3
163.11226	9.8
163.14786	7.5
172.12421	2.2
173.02510	2.2
173.13228	6.9
174.14018	2.0
175.14859	23.4
177.05444	2.2
177.12674	7.1
177.16411	15.7
187.11134	3.4
187.14821	35.2
204.23451	1.7
205.04893	40.7
205.06798	9.4
205.08624	3.7
205.12437	8.9
205.14221	5.9
205.15825	100.0
205.19479	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	205.1587
Annotation	Mayurone
Peak:m/z	Relative Intensity
52.52310	1.7
53.03939	3.1
55.01885	3.4
55.05512	13.3
57.07071	6.4
59.04996	2.7
59.81940	1.9
65.03927	2.9
67.05494	10.4
69.07069	38.8
71.12930	4.8
79.05493	15.9
81.07051	21.9
83.04978	3.0
83.08622	17.2
86.72632	1.7
91.05480	21.8
93.07048	40.0
95.08607	37.3
97.06544	2.3
102.32706	2.2
105.07024	33.8
105.31739	1.9
106.07463	2.0
107.08600	97.8
109.06498	4.0
109.10153	13.2
112.77120	2.0
117.07028	22.2
119.08584	68.0
119.09438	3.9
121.06503	5.0
121.10147	85.3
123.08060	3.7
123.11710	3.6
129.06996	4.3
130.07809	7.5
131.08588	27.6
133.10144	56.7
135.08055	6.9
135.11703	21.0
143.08554	12.4
144.09355	3.2
145.02817	3.0
145.10130	85.4
145.11278	4.2
147.11710	12.6
148.08900	2.3
149.02357	14.2
149.09601	8.0
149.13280	9.7
157.10081	8.1
158.10884	8.8
159.11688	23.7
161.13266	8.8
163.11189	81.5
163.14845	7.1
172.12512	6.4
173.13235	2.7
175.14828	100.0
177.16393	44.6
187.14824	56.8
205.05002	8.5
205.15878	98.1
205.19521	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	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
50.99957	2.0
53.03930	2.1
55.05510	14.2
56.67806	1.7
56.96591	2.2
57.07077	11.6
65.03929	7.8
67.05507	19.6
69.03402	2.9
69.06767	2.2
69.07071	23.2
69.39962	12.2
69.40383	5.4
71.04961	3.4
71.45710	2.0
79.05495	13.0
81.07058	90.1
83.04981	30.1
83.08611	4.7
89.03895	3.6
91.05485	29.5
93.07042	27.6
95.04961	2.9
95.08050	2.6
95.08617	49.0
97.02901	3.9
97.10146	4.2
98.21529	4.6
105.07034	87.3
107.08595	37.7
109.02956	1.9
109.06525	3.6
109.10162	15.3
115.05408	3.4
117.07034	18.2
119.08582	68.7
121.02863	5.3
121.06509	8.6
121.10156	34.4
123.08056	3.5
123.11710	75.0
127.05783	3.0
129.07008	5.3
130.07776	6.5
131.08574	57.9
133.10129	43.9
135.08070	4.1
135.11673	10.9
143.08527	8.1
144.09302	5.9
145.02858	12.0
145.10126	100.0
147.11685	22.1
149.02341	40.1
149.09610	4.0
149.13251	3.6
157.10149	4.0
158.10887	7.9
159.11711	28.9
160.12357	2.7
161.13280	9.5
163.02739	2.6
163.11205	10.9
172.12415	5.4
173.02336	2.5
173.13284	27.4
175.14832	74.5
177.16377	16.7
187.11201	3.5
187.14822	61.6
205.04994	31.0
205.06801	3.9
205.08734	2.8
205.12195	11.4
205.14337	3.8
205.15866	96.8
208.01068	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1589
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03940	4.1
55.05515	14.2
56.05059	2.0
56.96571	18.4
57.03426	2.3
57.07074	16.2
57.13233	1.8
58.34455	1.6
59.04990	3.4
65.03946	17.1
67.05508	14.7
68.02496	2.0
68.05014	2.1
69.03412	3.9
69.07071	34.5
69.56834	3.5
69.57233	11.4
70.06596	3.0
71.04984	2.4
77.03917	2.1
79.05504	19.3
81.03394	4.8
81.06625	2.4
81.07060	28.6
83.04967	6.5
83.08625	11.7
84.04489	1.9
84.57139	1.5
85.02895	4.1
85.04822	3.6
85.06522	2.2
89.03913	4.7
89.22583	1.6
89.93033	1.6
91.05482	26.1
93.03365	2.2
93.04560	1.8
93.06459	2.4
93.07047	38.5
95.04971	4.3
95.06105	1.9
95.08611	49.8
97.02876	6.9
97.06516	2.2
97.07670	2.3
97.10148	2.3
98.03191	2.3
98.97563	2.2
99.08049	2.4
100.02472	1.9
102.02206	2.6
103.05472	2.3
105.06381	3.3
105.07036	47.6
107.08598	87.3
109.02856	3.7
109.06507	5.3
109.07661	2.9
109.10155	17.5
111.08092	4.4
113.96381	2.6
115.05433	4.2
116.06160	2.3
117.07020	25.1
119.00199	2.0
119.06093	2.0
119.08588	70.4
120.03299	1.8
121.02865	12.3
121.03983	4.2
121.06506	9.9
121.10147	74.9
122.07130	4.3
123.08041	7.4
123.11719	10.9
127.03896	3.1
127.05853	2.7
129.06970	5.9
130.07794	9.5
131.08580	29.2
133.07648	2.0
133.10136	58.2
135.08089	10.2
135.11722	20.1
137.08228	2.5
137.09612	2.5
143.08539	12.7
144.09283	6.6
145.02846	19.8
145.06445	5.0
145.10132	100.0
147.08142	3.1
147.11685	19.0
149.02350	81.6
149.05957	5.3
149.09639	8.2
149.13283	10.4
157.10104	9.7
158.10944	10.8
159.08032	2.9
159.11703	36.8
161.13222	12.2
163.02779	4.6
163.09850	3.9
163.11165	22.7
163.14819	7.1
164.09404	1.9
171.01270	3.1
172.12445	6.6
173.13234	4.6
174.14024	6.5
175.14833	93.3
177.05524	1.9
177.12717	4.5
177.14975	2.7
177.16394	41.7
178.05023	2.6
182.51935	2.1
187.11197	5.9
187.14819	59.1
190.09868	2.0
199.98892	2.2
205.04939	58.0
205.06784	7.9
205.08859	8.9
205.12311	16.2
205.14236	6.9
205.15858	95.8
205.19415	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	205.1587
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05519	15.0
57.07067	7.2
67.05499	25.8
69.07058	20.0
79.05497	12.5
81.07057	100.0
83.04976	31.2
83.08638	5.4
83.11421	2.8
85.98517	2.7
91.05499	14.7
93.07041	22.5
95.08601	47.4
97.10124	3.1
102.05085	3.2
103.91117	3.0
105.07032	85.7
107.08597	30.3
109.06535	3.5
109.10165	9.3
117.07021	15.2
119.08578	65.9
121.10145	26.5
123.11707	82.5
123.12566	5.9
130.07764	6.3
131.08560	43.4
133.10123	52.7
135.08035	4.9
135.11673	7.5
143.08582	10.5
145.02782	5.0
145.10126	93.8
147.11705	30.1
149.02356	7.2
158.10867	7.6
159.11684	20.9
161.13243	5.3
172.12440	5.2
173.13261	34.3
175.14828	84.1
177.16437	17.5
187.14832	41.8
205.05016	6.9
205.15874	96.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	Khusimone
Peak:m/z	Relative Intensity
55.05512	11.0
57.07055	6.7
59.37305	1.4
64.84374	1.5
65.03922	2.0
67.05509	23.5
69.06768	1.6
69.07069	21.0
69.56989	7.6
69.57397	3.3
71.04977	1.6
79.05497	15.1
81.07059	99.8
83.04984	33.7
83.08611	3.7
85.99519	1.8
91.05491	22.3
93.07043	28.4
95.08050	3.1
95.08614	48.6
105.07035	82.7
107.08600	31.4
109.06470	2.9
109.10166	9.5
111.08066	2.7
115.05473	2.3
117.07020	17.0
119.08585	68.5
119.09448	3.2
121.06517	2.2
121.10153	30.3
123.11714	79.7
129.06975	6.2
130.07782	5.7
131.08574	49.8
133.10136	49.3
135.08037	4.7
135.11659	8.8
143.08539	6.4
144.09343	4.9
145.10127	97.3
146.10892	2.5
147.11691	30.5
147.33456	1.7
149.02344	4.1
149.09601	2.6
149.13222	3.9
157.10101	3.3
158.10919	9.0
159.11694	21.3
160.12387	3.3
161.13226	8.6
162.25401	1.9
163.11124	3.3
163.14763	1.7
172.12386	2.8
173.13258	37.6
175.14827	84.5
177.12756	2.0
177.16393	17.4
187.14828	52.2
205.04980	4.8
205.12149	3.7
205.15877	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1588
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
53.03953	3.2
55.01866	3.2
55.05519	14.0
56.06712	2.3
56.96568	6.9
57.07078	15.4
65.03948	14.8
67.05509	15.5
68.70862	2.3
69.03444	3.5
69.07072	36.2
69.64525	17.0
79.05493	17.8
81.07066	19.8
83.04957	6.2
83.08637	12.5
84.04512	3.7
91.05482	25.8
93.07052	41.5
95.04935	3.8
95.08613	49.2
97.02891	9.2
97.06514	3.4
98.21465	3.3
99.04429	2.6
103.05426	3.0
105.07037	39.9
107.04999	3.2
107.08598	100.0
109.02855	4.5
109.06525	7.1
109.10168	16.7
117.07024	23.8
119.00187	3.1
119.07766	5.2
119.08585	73.2
121.02870	10.0
121.06518	11.1
121.10148	79.5
122.10458	2.6
123.08081	8.4
123.11702	4.7
127.03941	3.0
127.05879	6.8
129.07025	6.3
130.07764	5.6
131.08557	29.6
133.10130	56.3
135.04536	2.8
135.08052	9.6
135.11703	24.0
135.72331	2.6
137.09641	3.2
143.08572	8.8
144.09305	3.4
145.02870	9.3
145.06471	2.9
145.10126	98.0
147.11705	15.0
149.02348	61.0
149.09637	5.1
149.13289	12.6
157.10143	9.9
158.10904	11.7
159.11691	30.4
161.00276	2.8
161.09671	5.4
161.13286	10.3
162.10425	3.1
163.11198	23.4
163.14749	5.8
171.08601	4.7
172.12494	7.5
174.14049	6.0
175.14835	88.3
177.12758	5.2
177.16399	47.4
180.09088	12.8
182.59348	5.5
187.14842	68.2
189.09566	3.8
189.11090	5.4
190.11813	9.9
191.59906	9.1
205.04994	31.1
205.06866	6.2
205.08803	4.3
205.12161	11.8
205.14153	63.8
205.15930	93.4
205.19519	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1225
Annotation	Plastoquinone-1
Peak:m/z	Relative Intensity
51.51150	1.6
53.03963	7.0
55.01860	3.2
55.05515	9.3
55.11748	1.4
55.82638	1.4
56.96574	7.9
57.03443	2.4
57.07078	11.1
60.04512	2.3
60.27602	1.3
61.02943	1.2
65.03944	17.4
66.92411	1.3
67.05493	4.5
68.99772	2.0
69.03428	23.6
69.07059	6.2
69.74294	9.2
71.04987	2.8
73.02917	2.1
77.03940	2.0
79.05493	11.4
81.03398	4.4
81.07045	4.2
83.05002	7.8
83.08594	1.5
85.02903	7.6
85.06541	1.9
85.77671	1.2
89.03923	5.4
91.05486	31.9
93.03421	2.3
93.07047	58.8
95.04968	7.3
95.08584	4.1
97.02911	10.1
98.97573	6.7
99.04435	1.4
99.10069	1.3
103.05446	6.9
105.03339	2.1
105.07034	23.7
106.04169	1.4
107.04942	4.0
107.08600	33.6
109.02845	3.7
109.06524	6.1
109.72884	1.3
111.04456	2.7
115.05466	6.1
116.98631	2.9
117.03368	3.7
117.07037	17.3
118.04179	1.6
119.04964	2.3
119.08591	16.4
121.02894	9.2
121.06514	100.0
121.10145	17.0
123.08046	4.2
127.03916	1.7
128.06233	3.1
129.07005	7.0
130.06587	1.9
130.07784	2.4
131.04930	6.6
131.08595	16.6
133.06461	1.8
133.10117	10.6
135.04451	2.7
135.08080	14.1
135.11716	14.0
137.09630	2.1
141.07013	1.9
142.07845	2.0
143.08569	1.7
144.08325	1.8
144.09325	10.4
145.02853	25.8
145.06534	8.5
145.07478	1.6
145.10130	20.3
146.06012	7.5
146.53044	1.6
147.04387	5.7
147.08104	7.2
147.11613	1.4
149.02353	62.7
149.05998	16.8
149.09601	4.6
149.13272	20.1
151.07503	1.7
155.06082	2.2
157.06599	1.5
157.10037	1.9
159.04431	5.1
159.08089	8.4
159.11700	39.1
160.05180	1.5
161.05989	2.7
161.09569	6.9
161.13316	1.9
162.02943	1.7
162.10352	3.9
163.07484	3.4
163.11191	21.0
172.08847	8.3
173.02391	2.9
173.06009	3.4
175.07602	3.9
175.11162	5.4
177.00818	1.5
177.02245	7.8
177.05447	8.4
177.09138	3.1
177.12737	26.5
178.04968	5.8
187.07588	1.9
187.11168	17.8
188.07010	2.6
190.06232	1.8
195.03305	5.2
201.00742	2.2
205.04991	73.3
205.06796	9.2
205.08679	7.4
205.12239	84.8
205.13976	5.4
205.17299	6.8
206.04486	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	205.0973
Annotation	L-Tryptophan
Peak:m/z	Relative Intensity
56.96574	0.8
57.07080	0.8
65.03945	1.2
70.19168	1.7
74.02447	1.8
76.44152	0.4
91.05488	2.1
97.02874	0.7
103.05444	0.8
115.05445	3.3
117.05769	2.0
117.07023	3.4
118.06546	45.2
120.05611	0.7
121.02848	1.0
121.06467	0.8
122.03954	0.5
130.06512	3.1
131.04962	1.2
132.04459	5.2
132.08087	10.6
142.06525	3.2
143.07315	6.0
144.04478	0.6
144.08089	22.6
145.02875	1.2
146.06010	100.0
147.04482	0.6
147.06329	0.9
149.02356	4.2
155.05997	0.6
159.04453	1.5
159.07991	0.6
159.09201	10.3
160.07584	1.2
167.06950	0.6
170.06006	7.1
177.05513	0.6
177.12688	0.5
178.03412	0.8
178.04999	21.5
188.07069	81.5
201.66801	0.6
205.04938	4.5
205.06833	2.0
205.09874	0.5
205.14034	0.5
206.02614	0.9
206.04492	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	205.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76579	0.9
69.82455	4.4
69.82851	1.6
96.91938	1.0
98.20799	1.2
99.95354	0.9
102.96010	0.9
165.10349	0.9
205.06845	100.0
205.31306	1.1
210.61824	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0868
Annotation	2-(acetylamino)-1,5-anhydro-2-deoxy-D-arabino-hex-1-enitol
Peak:m/z	Relative Intensity
51.97431	1.2
53.03952	3.2
55.01873	2.7
56.05042	7.0
57.03424	2.3
60.04535	12.3
61.02914	6.3
63.92390	1.2
68.05035	24.1
69.03423	5.8
70.06577	1.5
71.04993	1.6
72.04513	3.8
76.25237	1.1
81.03416	4.5
83.01318	1.4
84.04510	82.9
85.02912	11.2
94.06573	1.3
96.04498	45.6
97.02269	2.5
97.02898	48.0
98.06064	12.3
98.21512	3.2
99.04471	5.1
107.06155	1.2
108.04469	3.2
109.02885	3.5
110.06036	11.0
114.05538	28.7
115.03924	1.4
122.06054	3.4
122.07156	1.1
122.33320	1.5
125.12175	1.2
126.05521	100.0
127.03941	6.2
132.76474	1.2
138.05486	8.2
144.06572	19.6
145.04996	3.1
149.02370	3.8
151.53899	1.5
156.06558	3.8
162.05566	1.5
162.07579	1.6
163.09866	1.5
168.06564	12.6
186.07611	10.6
187.72311	1.5
188.10699	2.6
189.11493	3.9
203.03337	1.5
204.08688	51.1
204.13878	20.6
205.05092	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06013	2.2
53.02372	2.6
55.01860	3.6
55.05257	3.5
55.05513	61.0
56.05840	2.0
56.96563	5.7
57.07077	12.5
60.04512	9.4
61.02914	3.3
67.05516	10.2
68.05020	2.5
68.99090	2.2
69.03408	5.8
69.07070	100.0
69.62108	11.3
69.62524	3.4
71.04964	2.5
71.08615	7.9
71.63544	2.8
72.04503	2.9
73.53754	2.1
79.05492	6.0
81.03416	6.3
81.07060	18.4
83.08619	35.9
84.04509	20.1
85.02898	2.7
85.10168	4.9
91.05471	19.5
93.07043	13.6
95.08615	23.8
96.04489	19.0
97.02863	10.2
97.10172	34.4
98.06042	7.8
98.21479	5.0
98.97585	16.2
99.04443	3.6
100.02434	3.6
103.05473	5.2
105.03423	3.6
105.06461	3.0
105.07034	28.6
107.08588	11.6
109.02872	2.7
109.10144	9.3
111.11738	16.2
114.05521	3.7
115.05469	15.6
116.98611	8.1
117.07012	22.5
118.03449	2.0
119.01904	4.8
119.08581	28.8
121.06483	3.6
121.10138	10.0
126.05521	23.5
128.06187	8.7
129.06976	6.5
131.04930	15.0
131.08571	6.5
132.05681	3.7
133.06445	5.4
133.10114	23.6
135.03497	3.7
135.04428	40.9
138.05511	53.5
139.56055	2.1
142.07756	7.1
143.04912	4.4
143.08612	14.2
144.06566	14.6
145.06467	28.0
145.10132	17.8
147.04370	2.4
147.08046	8.9
147.11702	25.3
157.07643	3.2
157.10156	10.5
158.99603	5.6
159.11740	4.9
160.05254	13.8
161.02977	3.4
161.05954	9.5
161.09618	7.2
161.13263	8.0
168.06558	6.9
170.10918	3.4
171.08115	5.7
172.03940	5.6
173.05984	12.3
175.07535	21.5
175.11171	5.1
175.14790	7.4
177.00777	3.4
178.01060	2.4
179.99161	2.9
185.05963	5.4
185.09689	2.7
185.13234	7.6
188.04712	14.7
188.08276	10.7
203.05290	4.5
203.07018	73.2
203.10626	34.2
203.14273	28.1
203.17952	35.0
204.08684	5.2
204.13832	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	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.27560	1.1
53.03939	1.8
54.22946	1.2
55.05509	13.0
57.03406	1.3
57.07065	4.7
60.04511	5.1
67.05505	19.4
68.05009	4.3
69.07072	18.2
71.62081	1.6
79.05498	12.0
81.07059	30.5
82.01431	2.5
83.08630	7.0
84.04507	14.0
84.36027	1.2
85.02890	3.1
89.80513	1.2
90.85527	1.1
91.05479	23.8
93.07052	18.9
95.04957	1.8
95.08604	49.7
96.04504	7.0
97.02869	7.3
97.10178	2.6
98.06094	2.1
100.02480	10.3
103.05445	1.9
105.07028	100.0
107.08591	28.6
109.06488	1.6
109.10155	36.1
114.05516	5.1
117.07011	5.3
118.03511	3.4
119.08582	68.9
120.27167	1.5
121.10143	18.0
123.11692	5.5
126.05524	10.1
127.03976	1.5
129.07021	1.9
131.08530	7.2
133.06465	2.7
133.10130	68.0
135.11699	4.4
138.05513	2.4
142.07753	1.7
143.08542	2.1
144.06537	3.1
145.10153	9.7
147.07965	1.8
147.11685	74.2
156.97514	2.1
157.10075	2.4
159.11684	4.9
160.12505	2.8
161.09622	3.4
161.13263	33.3
173.13303	2.4
174.14091	1.5
175.11311	1.8
175.14806	13.1
179.97952	2.9
179.99367	1.5
185.13248	3.4
189.11452	1.8
197.99065	3.1
203.03522	1.7
203.05289	2.5
203.06969	1.8
203.10648	5.0
203.14355	13.5
203.17949	98.5
204.08667	5.1
204.13853	5.7
208.12521	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1796
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
51.93298	0.8
55.05516	10.3
56.49066	0.8
57.06823	1.1
57.07081	15.8
59.22361	0.7
60.04518	1.7
65.03930	1.2
67.05505	14.2
68.05795	0.8
69.06714	1.1
69.07071	14.5
79.05490	4.7
81.06631	1.3
81.07062	13.3
82.01450	1.2
83.08630	5.6
84.04494	3.0
85.02919	0.8
91.05486	13.7
93.07048	8.4
95.08609	33.5
95.63289	0.9
96.04488	1.8
97.02869	1.3
97.10159	1.7
100.02491	4.9
103.05479	1.0
105.07037	51.5
106.45587	0.8
107.03677	0.9
107.08604	18.0
107.09312	0.6
109.06499	0.9
109.10162	25.3
109.10909	1.6
114.05534	1.3
117.07010	3.1
117.87789	0.8
118.03487	1.5
119.08588	76.0
121.10154	14.8
123.11713	3.7
124.74792	0.8
126.05515	2.7
129.07051	1.3
131.08582	5.9
133.10139	72.2
135.11697	3.1
143.08501	1.8
145.10135	12.8
146.10837	1.2
147.11694	84.3
148.12297	0.9
156.97478	1.3
157.10112	1.3
159.11711	6.3
160.12521	5.1
161.09631	1.1
161.13266	41.5
173.13260	3.2
174.14049	2.2
174.98503	0.9
175.14847	8.4
179.99213	1.1
185.11214	0.8
185.13225	1.3
188.15550	1.4
197.99263	2.9
203.06906	1.4
203.10683	1.9
203.14307	3.9
203.17967	100.0
204.08688	2.5
204.13890	1.2
204.18359	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05516	12.6
57.07073	2.4
67.05508	13.1
68.05023	2.6
69.07071	11.2
69.25943	13.6
70.04729	1.3
70.18038	1.3
78.04016	1.3
79.05484	3.1
81.07056	17.7
83.08599	4.5
84.04510	6.9
91.05477	14.8
93.07053	8.8
95.08611	47.2
96.04498	2.9
97.02856	3.7
101.90705	1.4
104.89914	1.2
105.06367	2.5
105.07036	42.8
105.07746	2.1
107.08593	22.8
109.10163	26.2
113.46811	1.3
114.05557	3.8
117.06992	3.0
119.08586	60.1
119.09451	2.9
121.10149	12.3
123.11724	4.2
126.05548	7.1
128.71873	1.6
131.08557	4.9
132.09146	1.2
133.10135	73.4
135.11667	4.6
144.06586	1.6
145.10120	10.5
146.10898	2.2
147.11690	47.5
152.94435	1.4
155.92607	1.6
159.11708	7.8
160.12433	2.9
161.13271	25.2
174.14014	5.0
175.14853	9.3
180.77924	1.1
184.07979	1.7
185.13295	1.8
203.10622	4.7
203.14359	5.6
203.17963	100.0
204.08699	2.4
211.60373	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05515	8.8
57.06823	1.1
57.07080	13.9
67.05215	0.7
67.05509	8.1
69.07071	12.7
70.96331	1.4
70.96652	1.8
79.05511	5.3
79.14180	0.9
81.07065	12.5
81.21462	0.8
83.08634	4.8
84.04492	2.9
89.98614	0.7
91.05492	12.1
92.33024	1.0
93.07049	7.4
95.08607	26.1
96.04500	2.1
97.02909	1.8
97.10160	1.1
100.02478	1.3
105.07034	45.9
107.08606	15.0
109.10163	21.5
117.07024	2.9
119.08588	67.9
121.10152	13.1
123.11716	2.9
126.05532	4.7
131.08554	5.9
132.09335	0.9
133.10138	74.0
135.11699	3.7
145.10132	11.9
146.10866	1.1
147.11694	81.7
148.12434	1.2
153.58221	0.8
159.11691	7.1
160.12433	5.3
161.13269	42.2
173.13286	2.4
174.14041	1.6
175.14844	6.8
188.15617	2.0
203.17972	100.0
204.08696	1.9
204.18224	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	alpha-Curcumene
Peak:m/z	Relative Intensity
53.03937	1.6
55.05517	16.1
57.07063	4.0
61.57321	1.4
65.03954	1.9
67.05508	17.2
69.07069	19.0
79.05500	10.3
81.07054	23.5
82.59008	1.4
83.08612	5.5
83.46166	1.3
84.04510	2.8
91.05493	21.1
93.07056	17.7
95.08038	2.2
95.08611	36.7
96.04520	1.7
97.02874	3.1
97.10144	4.1
105.07037	72.6
107.08600	27.8
109.10162	31.7
117.07037	2.4
119.08584	60.0
121.10139	11.3
123.11726	3.7
126.05485	2.5
129.06995	1.7
131.08560	6.3
133.10136	74.5
135.11693	3.8
145.10147	4.9
147.11694	60.6
159.11687	6.5
160.12505	1.8
161.09612	4.1
161.13264	26.9
174.14017	3.6
175.14854	13.3
178.28314	1.4
203.10565	2.0
203.14302	5.6
203.17964	100.0
204.08737	2.2
204.13858	2.8
216.80356	1.2
222.66537	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
55.05515	9.6
57.03433	1.2
57.07067	2.5
60.51227	0.9
63.36674	0.9
65.03939	1.2
67.05505	18.7
68.05025	1.0
69.07071	12.4
70.85805	2.7
79.05496	7.4
81.07059	30.5
83.08610	4.7
91.05480	18.8
93.07048	17.3
95.08611	57.2
97.02927	1.1
97.10159	1.3
98.21368	1.2
105.07030	55.0
107.08594	34.6
109.06542	1.4
109.10160	37.9
109.10910	1.9
117.07003	2.0
119.08583	49.1
121.10149	15.5
123.11683	5.0
126.05502	3.4
131.08545	3.1
133.10132	57.8
135.11696	4.7
145.10147	5.1
147.11687	56.1
153.07813	1.2
159.11705	3.7
160.12395	2.5
161.13258	23.2
174.14160	1.5
175.14807	10.4
188.10725	2.0
189.11467	3.1
203.17960	100.0
204.13861	13.5
204.18275	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Eremophila-1(10),8,11-triene
Peak:m/z	Relative Intensity
53.03948	2.3
54.38593	1.8
55.05518	12.0
57.07063	6.4
60.04516	4.5
63.50050	1.6
64.02820	1.5
66.53490	1.5
67.05498	14.0
68.05034	2.8
69.07072	17.0
71.61797	1.9
76.17351	1.4
79.05511	9.3
79.98032	1.5
80.28304	1.5
81.07061	24.3
82.01448	1.6
82.90395	1.6
83.08617	4.9
84.04491	11.0
85.02889	2.2
87.17607	1.7
91.05476	23.4
93.07050	17.3
95.08607	38.0
95.09212	1.9
96.04483	6.4
97.02898	7.3
97.10195	2.6
98.06062	2.4
100.02496	5.0
105.07032	63.8
107.08604	24.7
109.10156	31.9
109.54922	1.7
110.06030	2.5
114.05509	6.5
117.07027	2.3
119.08584	59.9
121.10155	17.4
123.11697	5.3
126.05515	14.3
128.06233	2.1
131.08542	6.4
133.06580	1.7
133.10139	68.9
135.11688	7.1
142.07761	2.3
143.08615	2.9
144.06593	2.5
145.04985	1.8
145.10139	11.4
147.04404	3.4
147.11694	62.5
157.10152	1.9
159.11681	7.8
160.12497	3.6
161.09625	3.5
161.13251	34.6
168.06566	1.9
174.14143	2.1
175.14830	7.0
179.99091	2.1
185.13298	4.0
195.26848	1.6
197.99246	3.0
203.05286	3.8
203.07007	2.4
203.10620	9.2
203.14322	7.7
203.17963	100.0
204.08640	7.9
204.13806	4.1
213.13374	1.8
213.67818	1.6
216.28783	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1066
Annotation	Tremetone
Peak:m/z	Relative Intensity
55.05523	0.8
60.04521	0.8
79.05492	0.7
82.01453	0.6
84.04525	0.8
87.00822	0.5
91.05503	1.6
95.08579	1.4
96.04542	0.5
97.02881	0.5
98.20686	1.0
100.02470	2.0
103.05460	0.5
103.83862	0.4
105.07039	3.3
107.08588	0.9
109.10112	0.7
109.75766	0.4
115.05470	1.1
117.07017	1.5
118.03516	0.7
119.08566	2.9
121.10186	0.7
121.43534	0.5
126.05522	1.0
128.06227	9.8
129.07002	1.5
131.08592	1.7
133.10152	2.9
141.06978	1.1
142.07784	2.9
143.08563	29.1
144.09180	0.5
145.06491	9.2
145.10133	5.7
147.11702	2.6
156.97525	0.5
157.06535	1.6
157.10168	1.8
158.07268	1.2
159.08046	2.0
159.11694	0.6
160.08839	6.8
161.09627	1.1
161.13246	0.6
171.08058	11.6
172.08823	9.8
172.10284	0.6
173.05997	14.3
173.07498	0.8
173.09483	0.5
173.13390	0.7
175.11183	4.1
185.09595	0.5
185.13332	1.0
187.07581	0.8
188.08330	89.8
189.08717	1.1
197.99164	1.1
203.10675	100.0
203.14444	2.3
203.17908	2.2
204.08601	0.9
204.11023	0.9
204.13823	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.02781	0.6
59.36056	0.5
60.43169	0.5
63.54551	0.4
70.03376	2.3
73.02930	0.6
99.10028	0.6
100.02511	0.8
102.94322	0.9
119.01926	0.8
120.95376	3.7
126.21704	0.5
138.96411	23.9
147.96930	3.1
148.95950	0.9
156.97488	78.4
157.97568	1.3
159.47755	2.0
159.97813	0.6
161.98010	8.6
165.98006	0.9
168.48283	8.2
168.98315	2.2
174.98543	35.4
179.99075	100.0
180.49174	0.5
180.99117	1.7
198.00153	49.8
199.00276	0.7
203.00735	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0703
Annotation	4-Hydroxy-5-methoxy-2-naphthaldehyde
Peak:m/z	Relative Intensity
53.03940	2.4
55.01879	4.4
55.05514	1.2
56.96565	2.1
57.34304	0.6
60.04526	1.6
67.05504	2.1
69.07053	1.6
69.94011	3.1
77.03948	0.9
79.05489	3.3
81.03427	6.0
81.07074	3.6
82.01431	1.0
84.04511	2.3
87.02142	0.6
91.05492	7.1
93.07061	1.8
95.04951	1.1
95.08614	3.8
96.04492	1.1
97.02907	2.0
100.02493	4.7
100.18482	0.6
100.28497	0.6
102.04763	0.8
103.05468	10.1
105.03399	0.9
105.07043	6.6
107.04960	1.2
107.08590	2.1
109.10169	2.9
115.05461	19.0
117.07027	42.8
118.03541	2.1
118.07387	0.7
119.08593	7.0
121.10156	1.0
122.03655	2.4
126.05540	2.8
127.05462	0.8
128.06224	1.1
129.07013	2.0
131.04933	27.8
131.08543	1.2
132.05685	0.7
133.06535	1.1
133.10143	4.8
135.04425	88.3
136.04747	1.1
138.05519	1.0
142.07832	0.9
143.04927	4.2
143.08592	2.6
145.06493	67.0
145.10106	3.4
146.06825	0.8
147.04480	0.9
147.08093	1.1
147.11694	7.5
149.02338	0.7
155.04904	2.4
155.06059	2.4
156.97473	1.5
157.10109	1.6
159.04417	2.9
159.11725	1.5
160.05219	1.0
161.05995	14.5
161.09660	1.9
161.13304	2.8
173.05988	25.5
174.06760	1.0
174.98567	0.9
175.03995	4.9
175.07549	18.6
175.11150	0.9
175.14824	1.6
179.97952	0.8
179.99286	1.1
185.05984	9.8
185.09647	1.0
185.13290	2.5
185.68492	0.6
188.04691	4.9
188.08363	1.0
197.99077	3.5
203.07039	100.0
203.10680	5.9
203.14334	6.1
203.17961	6.8
204.07242	1.5
204.08879	1.5
204.13838	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05252	0.7
55.05512	9.8
56.05038	8.8
56.96552	1.6
57.03427	1.4
65.03943	0.6
67.05511	3.5
68.05025	1.6
69.03416	1.1
69.07056	1.6
70.06602	5.7
71.61137	0.7
72.74204	0.5
77.22642	0.5
77.50608	0.6
79.05491	3.2
81.05774	0.5
81.07057	5.0
82.06585	11.5
83.07343	0.9
84.08147	41.9
84.53091	0.5
85.02905	0.8
86.09710	0.5
87.02701	0.6
91.05475	1.2
93.03416	0.7
93.07056	0.7
95.08610	1.7
96.08131	5.0
97.02884	0.7
98.09698	49.7
98.52393	0.5
98.97586	2.0
99.10051	0.6
100.07626	23.8
105.07031	1.1
108.08113	0.6
109.08924	1.0
109.10175	0.5
113.42665	0.5
116.98630	0.9
122.09669	0.8
124.11234	100.0
125.11581	1.1
132.01164	0.9
136.02365	0.6
142.12280	49.9
150.56790	0.5
158.09674	0.7
160.07513	1.0
170.54727	0.6
179.04619	1.0
202.08716	1.5
202.12311	5.3
202.14407	12.2
202.16260	1.1
203.06998	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07693	1.5
55.05517	43.2
56.96566	28.1
57.07081	14.6
61.02922	2.1
67.05504	1.7
69.03418	2.8
69.07070	50.9
69.40438	15.3
71.08630	5.0
71.95286	2.2
72.08152	2.2
73.02930	2.3
79.17779	1.7
81.07043	2.3
83.08624	14.6
84.96011	4.2
85.02898	3.9
85.10194	2.6
86.06007	1.7
87.98415	1.6
89.00725	1.8
89.81069	1.4
93.07052	2.0
96.01580	2.8
97.02899	3.0
97.10175	13.1
98.97588	100.0
105.06994	1.7
110.01275	3.1
110.97552	5.9
111.11758	2.2
115.05505	2.3
116.98635	52.5
117.06998	2.0
119.01809	3.8
128.02328	7.9
128.06213	2.1
128.98595	6.5
130.11961	1.6
134.99681	17.8
135.04414	2.4
140.00221	3.3
143.00157	4.6
145.06526	1.9
145.10083	2.4
146.10498	2.7
146.99571	4.6
152.98611	3.4
156.17990	1.7
158.99663	27.3
160.12016	3.8
161.01189	4.6
170.99693	9.4
172.07520	2.6
173.01257	2.0
174.09138	2.7
174.11375	2.0
175.07521	3.1
177.00713	29.2
181.08096	2.4
189.00728	5.1
193.09872	9.6
200.02361	3.5
201.00780	2.1
202.08772	3.0
202.10469	3.9
202.12292	3.3
202.16719	6.5
203.06996	5.9
203.10646	3.2
203.14299	2.6
205.20628	1.5
219.01793	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	202.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.05511	10.1
56.05035	19.2
56.96560	0.8
57.98780	1.2
58.99588	31.8
59.28418	0.6
61.01144	1.3
65.03944	0.7
67.05491	0.7
67.27378	0.6
68.05024	1.5
69.07088	0.7
70.06570	1.1
70.99562	0.8
71.09933	1.4
73.02934	1.1
74.00668	1.4
76.02234	6.9
79.05492	34.4
80.05017	1.3
81.06573	0.9
81.07056	23.4
82.06577	9.9
85.01130	100.0
86.00653	14.8
86.99059	20.9
87.02704	1.3
88.02213	4.1
88.03992	2.5
94.06573	1.6
95.04955	1.4
96.08122	3.3
96.17958	0.8
97.01102	1.0
97.08913	9.6
98.09697	30.4
98.10333	1.5
98.97590	1.2
105.00089	7.7
110.09679	1.6
113.04232	41.6
120.01187	2.8
122.09677	2.7
131.01648	0.8
132.01152	12.4
139.05774	1.1
152.93851	0.6
156.08441	6.2
159.04814	0.8
160.07535	1.0
168.18456	0.8
174.09280	0.7
181.06247	1.3
185.06264	5.3
202.08914	13.9
202.12387	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	201.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.05511	27.0
56.96557	1.0
57.03424	1.0
57.07084	4.8
67.05507	67.3
69.06770	0.9
69.07071	11.9
69.65686	4.3
69.66092	1.7
71.04996	22.7
76.52251	0.9
79.05502	5.0
81.07059	64.9
83.08625	26.6
83.28040	0.8
85.06544	13.7
87.51022	0.8
93.07043	2.4
95.08611	100.0
97.10175	9.1
97.44347	1.0
97.99760	0.8
98.21524	1.8
98.97605	4.9
99.08094	4.0
107.08605	1.1
109.10159	64.4
117.07000	1.0
123.11720	16.0
136.74710	0.9
137.13266	1.7
145.10088	1.8
158.99658	2.4
159.11685	1.8
165.16380	3.2
177.00726	1.2
183.17409	5.4
189.07736	0.9
201.09091	1.6
201.16412	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00337	0.9
55.05518	4.4
55.51543	0.7
55.82443	0.8
56.96552	5.0
57.03422	2.2
57.07069	2.0
61.02919	1.2
67.05518	5.2
69.07081	7.7
71.04980	1.5
71.08633	100.0
71.60765	0.8
71.61189	1.2
73.02910	1.1
79.05505	2.0
81.07065	11.4
83.08640	4.3
85.02908	1.5
91.05480	2.6
91.96062	0.9
93.07062	2.0
95.04970	0.9
95.08607	14.8
97.02866	1.2
98.97578	6.6
99.08097	75.0
105.07036	3.5
107.08602	1.8
109.10158	8.0
110.97529	1.2
113.52271	0.8
115.05444	0.9
116.98634	2.9
117.07042	3.1
118.96769	1.4
119.08575	2.9
121.10103	1.0
123.11665	1.1
127.11179	1.7
128.98615	2.0
129.07014	1.2
131.08560	7.4
133.10181	1.3
134.99619	0.9
141.07045	1.8
143.08557	2.4
144.09348	1.3
145.10103	8.5
150.07988	1.1
157.10118	1.8
158.07257	1.2
159.08162	1.1
159.11711	9.8
165.16438	1.1
173.09637	1.5
173.13269	3.2
183.17493	6.3
185.09885	0.8
186.10365	1.5
201.05460	2.5
201.09093	5.0
201.12776	5.7
201.14703	1.6
201.16391	13.0
201.24152	1.7
202.21724	4.1
210.10072	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
55.05512	1.6
57.07058	2.6
64.48499	0.6
67.05504	3.1
69.07061	3.7
69.60215	4.3
70.33215	0.5
79.05495	3.9
81.07056	5.4
90.38490	0.5
91.05480	6.4
93.07040	6.8
95.08610	6.6
98.21496	0.6
105.07031	10.9
107.08599	8.5
109.10146	1.7
115.05425	1.0
116.06223	0.7
117.07022	8.2
118.96780	1.6
119.08591	8.4
121.10121	3.5
128.06219	0.7
129.06989	3.0
130.07771	4.0
131.08574	37.0
133.10143	6.9
142.07780	0.7
143.08578	4.2
144.09338	4.1
145.10127	45.4
146.10849	1.6
147.11748	1.0
155.08620	0.7
156.09294	0.6
157.10156	6.9
158.10992	2.9
159.11699	51.4
160.12302	0.8
171.11717	4.5
172.12424	2.3
173.13277	14.5
177.00775	0.7
185.13373	0.7
186.14053	5.4
199.15060	0.8
201.16389	100.0
202.16711	1.9
208.39565	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1638
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03941	0.5
55.05491	1.5
57.07078	5.4
62.67027	0.5
65.03901	0.5
67.05508	4.1
69.07072	2.6
74.92440	0.4
77.59392	0.5
79.05502	3.4
81.07066	5.9
83.08607	0.5
91.05476	7.0
93.07039	6.7
94.17083	0.6
95.08598	8.9
96.44688	0.5
103.05469	0.5
105.07034	13.1
107.08594	8.8
109.10162	2.3
115.05430	1.7
116.06230	0.6
117.07022	7.0
118.96777	1.0
119.08581	10.7
119.12206	0.5
121.10150	2.8
128.06229	1.0
129.07007	3.5
130.07788	4.2
131.08571	32.7
133.10133	10.3
141.07002	0.7
142.07776	1.9
143.07452	0.8
143.08546	6.3
144.09351	6.8
145.10124	43.2
146.10889	0.9
147.11684	1.1
155.08594	0.8
157.10153	7.4
158.10919	4.1
159.08118	1.3
159.11696	61.8
168.09383	0.7
171.11714	3.8
172.12479	3.4
173.09593	0.6
173.13268	14.7
185.13245	0.6
186.14032	4.8
201.12802	2.8
201.16388	100.0
202.16649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23333	0.6
53.03946	0.7
55.05496	2.6
55.74081	0.8
57.07074	4.6
61.16463	0.7
67.05520	5.0
69.03412	0.7
69.07085	3.9
71.08636	1.1
71.61826	1.0
79.05495	4.6
81.07056	8.7
91.04956	0.8
91.05482	9.4
93.07053	7.7
95.08607	10.3
97.64619	0.8
105.07033	12.1
107.08598	10.7
109.06503	0.7
109.10152	3.0
113.40716	0.7
115.05424	1.8
117.07022	8.3
118.24405	0.7
119.08582	12.3
121.10120	3.5
128.06178	1.7
129.06981	4.2
130.07796	4.1
131.08571	36.4
133.10129	9.8
135.11667	0.6
142.07796	1.7
143.08575	5.8
144.09344	6.6
145.06468	1.9
145.10127	45.5
146.10838	1.4
147.11755	0.9
153.06978	0.7
155.08582	0.9
156.09236	0.8
157.10112	9.0
158.07309	0.9
158.10872	3.2
159.08101	1.7
159.11696	63.3
160.12088	0.9
169.24879	0.8
171.11691	4.9
172.12425	4.5
173.06058	0.8
173.09599	1.8
173.13278	14.9
177.98050	1.5
186.10411	1.0
186.14056	5.2
199.14882	0.9
201.05583	0.9
201.09138	4.4
201.12767	7.1
201.16383	100.0
202.16690	2.0
202.21648	2.3
207.48274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1637
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
52.77404	0.5
55.05495	1.7
57.07076	2.6
67.05490	2.9
69.07076	4.5
71.61744	0.5
72.69460	0.5
79.05495	3.8
81.07058	6.3
82.72886	0.5
83.08604	0.6
91.05491	6.6
93.07050	7.9
95.04955	0.5
95.08031	0.9
95.08602	10.5
103.05482	0.6
105.07043	11.0
107.08598	8.7
109.06487	0.6
109.10143	1.6
115.05455	1.3
116.06222	1.2
117.07010	7.6
119.08582	10.4
121.10136	3.2
128.06226	1.3
129.06975	4.1
130.07819	3.8
131.08568	38.3
133.10143	8.1
141.06987	0.6
142.07767	1.3
143.08534	5.0
144.09363	4.7
145.10123	45.8
146.10895	1.3
147.11676	1.3
157.10127	7.8
158.10924	3.4
159.11693	56.3
160.12175	0.8
171.11641	4.6
172.12477	3.7
173.13252	15.0
174.13597	0.7
186.14046	4.7
199.14835	1.1
201.09164	1.3
201.12691	3.4
201.16383	100.0
202.16730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1639
Annotation	alpha-Corocalene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05497	2.5
55.05761	0.6
56.96548	2.6
57.07077	3.3
66.64461	0.6
66.69015	0.6
67.05500	2.6
68.58835	0.6
69.07067	3.7
70.98252	2.0
79.05503	3.3
81.07067	5.0
85.33398	0.6
91.05489	7.5
93.07053	4.8
95.08608	7.4
97.99192	0.7
98.97581	0.9
105.07040	11.9
107.08614	8.0
109.10131	1.8
115.05434	1.9
116.00197	0.8
116.06236	1.3
117.07037	7.7
118.96779	2.5
119.08585	9.4
121.10117	3.1
128.06223	2.0
129.07005	3.4
130.07805	3.9
131.08574	53.6
133.09206	1.1
133.10146	13.1
141.07008	0.7
142.07750	1.6
143.08571	5.7
144.09366	4.4
145.06390	0.9
145.10130	42.0
146.10806	1.1
147.11691	0.9
157.10138	10.1
158.07234	1.1
158.10889	2.4
159.11702	52.9
160.12242	0.9
171.11717	4.1
172.12502	4.5
173.09625	0.8
173.13281	17.6
177.98077	1.3
178.78755	0.7
183.11644	0.8
186.14021	4.6
201.05467	0.8
201.09137	2.7
201.12692	3.9
201.16389	100.0
202.16711	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	198.9855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72306	0.2
65.02834	0.2
70.02989	1.1
70.34112	0.2
78.83418	0.2
79.51943	0.2
82.99836	0.3
88.35236	0.2
90.39771	0.2
101.00873	1.9
102.94365	0.3
113.01074	0.3
119.01930	2.7
120.95342	1.6
121.96137	0.2
137.02937	0.3
138.96410	17.8
139.96490	0.5
148.95879	0.2
154.94127	0.2
156.97481	100.0
157.97563	2.2
158.97919	0.6
170.99001	0.4
174.98541	70.6
175.98677	1.4
176.98918	0.3
179.99101	1.7
180.97479	0.8
180.99069	0.5
198.00150	0.7
198.18590	0.7
198.98543	18.1
199.98997	0.2
216.99591	34.0
217.99742	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	199.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.4
55.01856	6.7
55.05265	2.2
55.05510	25.4
57.03440	9.1
57.07066	3.9
59.04983	3.6
61.02918	3.5
65.03938	2.4
67.05500	19.2
68.05804	1.6
69.03418	5.7
69.07069	30.5
70.07399	3.2
71.04994	15.3
71.61205	3.0
72.04504	2.3
73.02907	3.0
73.06535	2.4
74.09712	16.8
79.05490	22.9
81.03344	1.8
81.07056	30.8
82.63461	1.9
83.04976	6.3
83.08618	22.8
85.02894	4.5
85.06547	11.3
87.04463	2.6
91.05476	14.5
93.07047	56.6
95.04967	6.4
95.08602	18.6
97.06534	12.7
97.10172	2.7
98.97588	1.9
99.04446	7.1
99.08109	2.2
100.07592	7.3
101.02354	1.8
101.06001	3.2
105.07040	18.3
107.08591	27.0
109.06523	18.6
109.10156	6.9
111.04443	9.7
111.08074	10.9
113.05975	2.9
116.98644	2.1
117.07011	6.5
119.08588	20.6
121.06513	3.0
121.10146	87.6
123.08117	8.7
123.11681	2.5
125.06059	7.8
125.09644	5.3
127.07552	7.4
130.07764	5.8
130.24655	1.7
135.08046	5.5
135.11719	23.4
136.07617	1.6
137.09612	9.9
139.03873	3.9
139.07571	7.1
139.11182	16.4
140.04713	4.6
141.79877	1.6
143.07001	1.9
143.08571	5.8
145.10127	79.4
153.09087	3.2
153.12727	9.1
157.10121	2.4
163.11191	100.0
175.98618	1.9
180.00699	1.5
181.04996	1.9
181.08679	4.6
181.10612	1.4
181.12224	42.1
199.05901	2.3
199.07570	2.5
199.11668	2.4
199.13339	7.2
199.14908	4.0
199.18878	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1537
Annotation	beta-Terpinyl acetate
Peak:m/z	Relative Intensity
53.03938	1.2
55.01842	3.1
55.05514	25.1
57.03430	4.9
57.07075	2.8
65.03953	1.6
67.05507	36.6
69.03415	2.6
69.06714	2.3
69.07068	25.7
69.61551	7.6
70.95861	2.2
71.04990	15.0
72.93763	1.6
73.06559	1.4
79.05493	21.6
81.07059	82.7
83.04996	7.1
83.08616	22.8
85.06538	16.5
91.05485	24.6
93.07043	31.1
95.04974	2.8
95.08608	100.0
97.05932	1.5
97.06534	32.1
97.10161	8.5
98.20635	1.8
98.97583	2.5
99.08109	6.1
101.06098	1.3
105.07034	28.5
107.08578	12.9
109.06521	5.7
109.10149	8.9
111.08087	6.3
111.98485	2.7
113.09653	1.4
117.07033	1.9
119.08583	38.5
121.10154	13.8
123.08057	6.8
123.11823	1.3
127.07588	1.8
132.95853	6.2
133.10135	26.6
135.11688	29.7
137.05978	3.8
137.09598	3.4
137.13271	25.0
141.09129	2.8
150.96893	6.6
155.97447	3.9
161.09550	1.7
161.13257	70.2
173.98521	2.6
179.10760	3.1
179.14316	36.8
197.11600	1.8
197.13406	2.3
197.15312	11.1
198.18542	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	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03954	1.0
55.01862	2.9
55.05503	5.9
55.82995	0.9
56.96540	1.1
57.03428	3.5
57.07062	3.5
57.09991	0.8
59.04991	3.6
63.93892	0.9
65.03933	2.3
67.05509	9.1
68.99791	1.2
69.03423	3.2
69.07059	3.7
70.47375	1.7
70.47770	1.9
70.95868	10.2
71.04976	3.6
72.93786	4.5
73.02924	1.1
78.28036	0.9
79.05500	8.2
81.07059	14.6
83.04955	3.4
83.08619	1.8
85.02901	1.0
85.06560	4.9
88.96890	1.5
90.94791	1.3
91.05479	19.6
93.06458	1.5
93.07044	28.8
93.24314	1.0
95.04971	10.0
95.08609	10.9
97.02879	1.0
97.06524	3.3
97.10148	1.2
98.97585	1.6
99.04449	2.4
99.08071	1.7
103.05453	1.0
105.03426	1.7
105.07034	32.3
107.08598	67.0
109.06521	9.3
109.10158	12.6
111.08055	2.1
111.98489	9.6
113.05996	5.7
113.96395	1.7
117.07004	1.7
119.04926	2.8
119.06052	1.2
119.08577	9.9
121.06515	6.1
121.10136	3.0
123.04436	4.6
123.08059	3.2
123.11707	6.7
125.05988	2.1
127.03828	1.3
129.99489	4.9
131.04965	1.4
131.08578	2.7
132.95839	17.4
133.02814	1.7
133.10133	66.2
135.07973	1.2
135.11696	51.6
137.05997	8.5
137.09642	7.0
137.10507	1.2
141.05434	0.9
141.06976	2.8
143.08533	2.1
146.07211	1.3
150.96898	19.0
151.03897	4.0
151.07570	1.9
151.11183	8.1
152.68599	1.2
155.97420	11.4
161.02943	1.2
161.09624	31.8
161.13226	2.1
165.05496	1.5
167.10660	1.4
169.06464	2.9
169.10204	1.6
173.98511	11.8
179.10675	100.0
179.14040	2.0
180.10936	1.2
182.10913	1.1
186.08138	2.5
197.05989	8.1
197.11734	71.9
197.13124	2.7
197.15453	2.8
198.18533	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	197.1173
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
51.78531	0.5
53.03936	1.0
55.01862	1.2
55.05509	1.2
61.02934	1.3
65.03941	0.8
67.05510	2.9
69.03426	1.5
69.07074	0.7
70.57845	0.6
70.58192	1.7
73.02908	0.9
74.60331	0.5
77.03926	0.7
79.05502	7.5
81.07058	7.2
91.05483	14.0
93.07052	16.9
95.04955	1.2
95.08614	4.4
97.06544	1.5
102.96842	0.6
103.05452	0.5
105.07034	27.0
106.04115	0.5
107.08597	100.0
108.08924	1.3
109.06518	4.4
109.10167	3.5
111.08110	0.6
117.07005	1.0
119.04948	1.3
119.06126	0.8
119.08583	15.3
121.06520	2.2
121.10141	16.2
123.04445	0.7
123.08066	2.3
123.11679	3.0
125.09671	0.8
128.06250	1.0
128.54713	0.6
131.08580	3.1
132.95839	1.1
133.06508	1.2
133.10132	56.5
135.08066	0.9
135.11688	1.6
137.05963	3.2
137.09593	1.7
139.07545	4.5
140.67989	0.5
143.08563	2.2
146.07262	0.7
149.09633	9.9
151.07530	2.3
151.11188	20.0
161.09622	15.0
167.10683	26.9
173.98474	0.7
176.06898	0.7
179.10675	37.2
197.11737	47.0
198.18503	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03937	2.0
55.01868	4.4
55.05257	1.4
55.05512	23.9
62.34363	0.8
67.05493	1.9
68.99778	1.6
69.03420	4.5
69.07059	1.7
69.33772	6.7
70.95867	2.1
71.01346	0.7
71.04986	1.5
79.05508	4.5
81.07060	17.1
83.04962	0.8
85.06557	0.8
89.19317	0.7
89.21896	0.6
91.05488	5.7
93.07044	3.8
95.04961	2.9
95.08611	1.8
97.06542	9.5
98.21517	1.5
99.04454	11.3
105.03397	1.2
105.07025	6.2
107.04940	1.2
107.08591	7.0
109.06519	10.5
109.10152	2.8
111.04443	0.7
111.08102	0.7
111.98483	2.2
119.08576	2.1
121.10163	1.4
123.11707	1.3
124.44471	0.7
125.05997	100.0
126.06339	0.9
127.03916	35.1
128.06261	1.6
129.99496	0.8
132.30910	0.6
132.95845	3.0
133.10127	8.4
135.11693	3.5
137.05980	81.8
137.09601	2.4
141.05475	0.8
143.08554	3.0
150.96918	2.4
151.03912	2.2
151.11153	2.3
153.09132	1.7
155.97470	2.4
161.09616	10.5
161.13304	1.3
165.05486	1.1
173.98473	3.6
179.10683	13.9
195.32675	0.8
197.07918	0.7
197.11748	10.0
198.18553	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	197.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
54.49712	0.9
55.01865	2.7
55.05508	5.6
56.01612	0.9
57.03429	1.8
57.07069	2.1
59.04984	3.2
65.03946	1.9
67.05496	7.4
69.03419	3.5
69.07069	2.9
70.84639	2.7
70.95866	12.2
71.04989	2.2
72.93780	6.2
73.02883	1.7
79.05491	10.5
81.07058	12.5
83.04971	2.8
85.06567	1.9
88.96892	1.6
89.67188	1.0
91.05479	21.8
93.07046	26.0
95.04966	10.8
95.08603	6.2
97.06514	3.1
99.04465	1.7
101.27532	0.9
103.05496	1.3
105.07040	34.9
107.04963	1.9
107.08599	66.9
109.06516	16.0
109.10145	9.5
111.08057	1.9
111.98486	11.5
113.05998	1.6
113.96391	1.1
117.07023	1.2
118.07796	1.1
119.04938	2.9
119.06121	0.9
119.08573	11.7
121.06490	7.6
121.10167	2.8
123.04395	4.5
123.08044	4.1
123.11697	4.9
125.06021	5.5
125.09621	1.4
127.03899	1.6
128.06218	1.2
129.99521	4.4
131.08549	2.8
132.95837	25.3
133.02838	1.5
133.10133	71.6
135.08118	2.4
135.11702	55.4
137.05981	13.9
137.09618	7.9
139.07550	1.4
140.57365	1.1
141.05463	1.8
143.08565	2.2
146.07281	1.3
147.04382	1.0
150.96896	24.2
151.03911	4.8
151.07573	1.3
151.11186	9.5
152.07083	2.5
153.09135	1.2
155.97435	14.6
161.09624	39.1
161.13303	1.1
162.09937	1.2
165.05478	2.5
167.07065	1.3
173.97238	0.7
173.98491	19.7
179.10678	100.0
180.10995	1.3
197.04420	1.1
197.08031	3.1
197.11740	67.4
198.18515	10.1
211.99599	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03939	2.5
55.01857	4.1
55.05514	11.1
57.03429	2.2
57.07056	1.2
59.04990	3.6
64.77043	0.9
65.03928	2.1
67.05512	9.2
68.99789	2.1
69.03417	3.1
69.07052	2.7
69.33947	8.4
70.95869	6.7
71.04969	3.3
72.93784	3.4
73.02924	1.8
74.06062	0.9
77.03879	0.8
79.05508	10.3
81.07059	14.7
83.04974	2.8
83.08591	1.4
85.06545	3.0
88.96913	1.6
91.05478	22.4
93.07048	25.8
95.04971	12.0
95.08601	5.8
97.06521	3.3
97.84894	0.9
99.04446	3.5
100.63931	1.0
100.77448	0.9
105.03403	1.2
105.07037	36.5
107.04944	1.6
107.08598	63.8
109.06522	13.3
109.10162	8.0
111.04435	1.0
111.08088	2.0
111.98455	5.4
113.06028	1.7
113.96392	1.3
114.34478	1.1
117.07040	1.7
119.04928	2.8
119.08591	9.2
121.06502	7.6
121.10125	1.9
123.04434	3.8
123.08062	2.3
123.11706	4.0
125.05996	32.0
125.09612	1.3
127.03903	8.9
127.07603	1.2
129.99474	1.9
131.04909	1.3
131.08557	3.3
132.95853	9.4
133.02806	1.7
133.10135	73.9
134.10551	1.0
134.37781	0.9
135.08049	1.5
135.11696	49.5
135.61823	0.9
137.05978	29.0
137.09618	6.2
139.07553	1.2
143.08537	2.5
146.07298	2.4
150.96875	11.6
151.03911	7.9
151.05807	1.0
151.07544	1.7
151.11171	8.7
152.07108	1.3
155.08467	0.9
155.97424	8.1
161.08273	1.6
161.09616	32.3
161.13258	0.9
165.05519	1.9
173.98483	8.0
179.07127	2.8
179.10677	100.0
180.11023	1.0
197.11734	62.3
198.12108	1.1
198.18536	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	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03947	0.9
55.01876	3.8
55.05516	10.4
56.96549	0.7
57.07069	2.4
57.96048	0.7
59.04993	0.6
65.03928	1.3
65.17730	0.5
67.05510	5.2
68.10172	0.6
69.03417	2.1
69.04560	4.5
69.06716	1.2
69.07074	19.2
69.36159	6.0
71.04996	3.5
71.08613	0.8
79.05492	6.6
81.07061	19.4
83.04971	1.9
83.06115	4.2
83.08622	7.3
85.06548	4.3
89.06020	0.9
91.05473	4.3
93.07049	13.0
95.04952	1.9
95.08613	28.2
97.06541	1.5
97.10181	5.6
98.01070	0.7
99.08099	22.3
103.05506	1.0
105.07043	2.0
107.04961	8.9
107.08600	18.9
109.04042	1.0
109.06518	0.7
109.10165	5.8
110.06469	1.0
110.07172	14.2
111.05582	0.7
111.08089	16.6
111.11709	1.9
113.09653	2.5
117.03372	2.3
119.08584	1.7
121.06483	1.3
121.10150	25.9
123.04305	1.4
123.11691	2.1
125.09615	4.9
131.96175	0.9
135.04424	3.2
135.08063	2.2
135.11688	7.5
137.06009	0.8
137.13271	8.3
138.06631	67.2
139.11150	2.4
142.45213	0.7
145.02858	4.6
149.06000	2.1
149.09564	1.0
149.13271	3.3
154.06244	0.7
159.11699	0.9
163.03889	3.8
163.07675	0.7
165.06981	1.3
167.08537	0.9
177.05486	6.9
177.09024	1.0
177.12965	1.0
177.16394	36.4
180.09383	0.8
195.02968	5.1
195.08791	100.0
195.11726	2.5
195.13692	1.7
195.15767	1.5
195.17458	8.3
196.09142	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03931	4.3
55.01617	1.0
55.01872	12.8
55.05513	15.4
56.05033	1.2
56.96551	1.3
57.03424	3.3
57.07060	1.4
58.53189	1.0
59.04981	1.1
64.95169	1.0
65.03930	3.9
67.05505	36.4
69.03442	1.6
69.04538	3.4
69.06771	1.0
69.07069	11.7
71.04990	9.6
71.61021	1.3
77.03926	1.2
79.05494	38.4
81.03417	5.2
81.07059	100.0
83.04987	24.4
83.06080	2.6
83.08602	4.3
83.09625	0.8
85.06544	4.4
87.04444	2.2
89.03902	2.8
90.39539	0.8
91.04955	1.6
91.05480	21.8
93.03391	1.7
93.07046	59.5
94.04174	1.4
95.04966	5.8
95.08607	44.1
97.06533	38.9
97.10178	1.3
98.97601	1.9
99.08071	1.8
101.06010	1.0
103.05453	3.6
105.03408	1.2
105.07027	11.1
107.04298	1.0
107.04968	21.0
107.08594	28.5
108.05737	1.6
109.06516	5.3
109.10143	3.5
110.07164	10.7
111.04426	1.8
111.05602	1.3
111.08064	4.2
115.05499	1.5
117.03398	5.3
117.07008	8.4
119.08586	4.8
121.02837	2.9
121.06494	6.6
121.10132	12.3
123.04387	1.8
123.08028	2.6
123.11691	1.2
124.05186	1.5
125.05972	1.2
125.09569	1.2
131.08548	9.2
133.02847	1.2
133.10139	10.5
133.68050	0.8
135.04459	5.1
135.08064	11.0
135.11693	36.9
137.05898	1.4
137.09575	2.8
138.06625	54.6
139.07512	2.7
144.09273	1.3
145.02847	8.7
148.97299	1.6
149.01260	1.7
149.02353	16.8
149.05965	4.3
149.09578	4.1
149.13268	14.2
153.09090	1.0
154.06213	1.5
159.11708	13.0
163.03880	3.5
163.07622	6.2
165.05443	1.3
167.07106	5.2
167.08391	1.3
167.14285	1.6
174.66464	0.9
177.05466	12.6
177.09094	2.3
177.12749	18.3
177.16316	1.8
180.04167	1.7
180.07797	1.8
195.02895	3.5
195.06581	12.2
195.08746	80.1
195.13773	16.2
195.15616	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1382
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03938	2.3
55.01865	2.3
55.05515	11.3
56.05035	0.9
56.96562	1.6
57.03428	1.7
57.07067	2.2
59.05008	0.7
60.14619	0.5
61.96872	0.5
63.82519	0.6
65.03938	1.4
67.05508	21.5
69.03424	2.1
69.04549	4.3
69.06711	1.0
69.07069	13.7
71.01345	1.4
71.04993	3.7
73.02890	0.6
79.05493	20.6
81.03413	4.6
81.07062	38.2
83.04981	6.2
83.06100	3.6
83.08615	5.6
85.06580	2.7
85.07072	0.5
89.03927	4.1
89.06015	1.2
91.05484	17.4
93.07054	28.0
94.07339	0.7
95.04967	5.1
95.08610	17.5
97.02924	0.7
97.04021	0.6
97.06529	6.1
97.10175	3.3
98.97600	1.3
99.08082	0.6
101.82755	0.5
103.05487	1.9
105.04528	0.7
105.07028	6.3
106.04218	0.6
107.04960	12.0
107.08601	15.8
108.05673	0.5
108.50219	0.5
109.03991	1.7
109.06499	2.3
109.10146	3.6
109.99023	0.6
110.06461	1.0
110.07172	14.4
111.04456	1.5
111.05580	1.4
111.08098	3.1
111.11691	1.1
113.09660	0.6
115.05431	0.9
117.03380	6.9
117.07024	6.4
119.04997	0.7
119.08586	2.0
121.02911	0.7
121.06512	4.9
121.10141	9.8
122.65685	0.5
123.04306	1.7
123.08015	0.7
123.11704	1.8
125.05983	1.2
125.09623	1.5
130.96274	0.8
131.08580	6.0
133.02861	1.4
133.10139	11.2
134.03642	1.5
135.04382	4.1
135.08052	4.5
135.10678	0.8
135.11699	16.3
137.06007	1.2
137.09573	0.9
137.13275	1.7
138.06630	79.0
139.03888	1.1
139.07605	0.8
139.11195	0.7
144.00546	0.5
145.02840	9.7
148.97394	0.8
149.02269	0.7
149.05995	4.6
149.09642	2.1
149.13260	8.0
151.03922	0.7
151.07567	1.9
151.10057	0.5
151.11195	2.0
151.14803	1.0
152.06215	0.9
153.05452	0.7
153.09122	1.1
153.97861	0.6
159.11700	6.2
163.03912	5.4
163.07597	1.6
165.07005	1.3
167.03389	0.8
167.07036	1.8
167.08505	0.7
177.05482	13.5
177.07005	0.8
177.09148	1.6
177.12758	6.4
177.16441	3.7
180.09296	0.7
181.86772	0.5
186.73317	0.5
195.02942	4.8
195.08784	100.0
195.11734	2.4
195.13724	9.4
195.15685	2.2
195.17380	7.6
196.09146	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	195.1016
Annotation	3,4-Dimethoxypropiophenone
Peak:m/z	Relative Intensity
53.03938	2.2
55.01856	1.9
55.05276	0.5
55.05511	3.8
56.05029	0.9
56.96550	1.7
57.03437	0.7
57.07076	0.7
59.04986	0.9
60.43375	0.5
65.03921	1.7
66.17910	0.5
67.05503	5.5
68.99775	1.4
69.03414	1.0
69.04554	5.3
69.07069	2.5
70.19089	1.0
70.19486	0.8
71.04971	1.1
71.95284	0.5
79.05493	11.3
81.03413	1.1
81.07060	6.7
83.01340	5.2
83.04979	8.5
83.06101	4.2
83.08620	0.6
85.06536	0.6
89.03926	1.2
89.06029	0.9
91.05479	16.0
93.07043	6.5
95.04989	2.8
95.08600	3.4
97.06520	1.9
98.20689	0.5
98.97601	0.6
99.08085	0.8
103.05441	2.8
104.06238	0.7
105.04503	0.5
105.07022	5.8
106.04214	0.8
107.04950	12.5
107.08594	14.6
109.03975	1.2
109.06519	2.4
109.10139	2.8
110.07164	14.3
111.04446	1.9
111.05565	0.9
111.08089	0.9
115.05457	2.9
117.03391	1.8
117.07017	5.3
119.04940	0.6
119.06130	0.6
119.08566	4.4
121.02879	0.6
121.06488	2.1
121.10129	2.3
123.04315	1.6
123.08031	1.0
124.05145	0.6
125.05983	1.2
125.09634	1.2
130.96294	0.7
131.04956	0.5
131.08528	1.5
131.96164	0.5
133.02841	1.3
133.06494	1.0
133.10132	1.2
134.03587	0.7
134.07245	0.8
135.04411	4.5
135.07079	0.8
135.08054	8.8
135.11676	2.8
137.06007	1.5
137.09654	1.2
138.06621	73.5
139.03871	0.7
139.07588	0.7
139.11194	4.0
145.02872	2.4
145.03899	0.6
147.08070	2.8
148.97363	1.0
149.01178	0.6
149.02281	0.5
149.06003	1.7
149.09648	2.9
149.13222	1.1
152.08311	0.6
153.09103	2.0
153.97801	0.6
159.11641	1.2
160.54385	0.8
163.03905	6.5
163.07544	7.2
165.05661	0.6
165.07010	1.6
167.07057	2.1
167.08443	1.0
167.10672	1.3
167.32649	0.5
171.98943	0.8
177.01886	0.6
177.05553	4.0
177.09096	15.7
177.12721	1.5
177.16405	0.6
180.06467	0.6
180.09344	1.2
195.03017	4.3
195.08748	93.1
195.10219	100.0
195.13872	2.7
196.09006	0.8
196.10634	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1016
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
51.02366	0.5
53.00312	0.5
53.03936	2.1
55.01869	3.2
55.05515	1.3
57.03435	0.8
61.22435	0.7
65.03917	1.0
67.05513	2.6
69.03411	0.6
69.04527	0.5
69.07047	0.9
69.69897	3.5
70.33496	0.5
71.04994	0.7
72.43897	0.5
77.03927	0.6
78.04713	0.6
79.05493	15.9
81.03403	0.8
81.07059	5.4
83.04977	2.0
89.03910	0.8
89.09245	0.5
89.50727	0.5
91.05477	9.2
93.03416	0.6
93.07054	4.1
95.04973	5.2
95.08598	2.4
97.06536	2.6
98.20783	0.6
98.97583	0.6
103.05470	10.8
105.04549	0.6
105.07034	12.8
107.04955	100.0
107.08562	2.6
109.06541	0.9
110.07159	2.5
110.08521	0.5
111.04417	0.7
111.08077	1.2
115.05458	8.3
117.03384	2.0
117.06998	3.4
119.04934	1.2
120.05750	3.6
121.06496	1.8
121.10153	0.7
123.04421	3.2
124.05215	1.7
125.06021	0.9
131.04953	1.3
131.08588	1.0
133.02797	0.6
133.06480	1.5
133.10138	0.9
134.03587	0.6
135.04485	0.6
135.08047	25.7
135.11697	2.0
137.06000	1.6
138.06619	12.6
139.03882	1.6
145.02811	3.5
145.06577	0.9
145.07626	1.8
147.04427	3.0
149.05949	1.1
149.09639	1.2
149.13239	1.1
151.03911	1.0
152.04688	1.3
153.05444	0.7
154.06248	6.6
159.11630	0.8
161.05907	0.6
163.07556	32.9
165.05510	1.7
167.07040	36.2
177.05536	3.0
177.09126	0.7
177.12790	0.8
180.07805	7.4
186.50117	0.5
195.02892	0.9
195.08736	14.6
195.10219	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03938	0.6
55.01885	0.5
55.05508	0.6
55.60198	0.5
56.96559	1.1
63.02370	0.9
65.03944	0.8
67.05491	0.8
69.04543	0.7
69.07069	0.7
69.82416	2.7
78.04720	1.2
79.05504	2.0
81.03408	0.6
81.07062	1.1
81.55627	0.4
83.04987	0.7
89.03919	22.9
91.05488	3.1
93.03417	1.0
93.07067	2.3
95.04964	1.3
96.04046	0.4
98.97578	0.7
99.08076	0.6
101.53269	0.5
103.05470	1.8
105.07091	0.6
106.04171	2.8
107.04968	3.9
107.08604	2.4
109.06512	0.8
109.10194	0.7
110.07172	2.9
111.04456	0.8
111.08048	0.8
117.03383	46.5
119.04922	0.6
121.06503	2.4
121.10164	0.9
123.04361	0.7
125.06023	1.5
125.07070	1.0
133.02916	0.4
134.03633	7.9
135.04442	6.2
135.08072	1.3
137.09601	0.6
138.06630	16.1
139.03905	0.5
145.02853	85.0
146.03210	1.1
149.05988	22.5
149.09590	3.0
153.05473	2.0
162.03177	2.5
163.03917	10.0
167.06956	0.5
177.05475	100.0
178.05836	1.2
186.05453	0.9
195.02846	1.6
195.06563	1.6
195.08771	19.3
195.10220	1.0
195.13698	0.5
208.96359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1017
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.00320	0.7
53.03931	2.2
55.01862	2.5
55.05506	1.3
57.03441	0.6
57.07077	0.7
65.03936	1.7
67.05501	2.5
67.96519	0.6
69.03413	0.7
69.04541	1.7
69.07056	1.5
71.04997	0.9
71.37705	1.2
77.03921	0.9
78.04715	0.9
79.05496	16.2
81.03413	1.1
81.07058	3.9
83.04980	2.0
83.06100	1.0
83.08624	0.8
85.06518	0.7
86.05482	0.5
89.03911	1.5
89.06034	0.8
91.05479	12.1
92.06277	0.6
93.07059	4.0
95.04972	5.4
95.08602	2.6
97.06522	2.4
98.97568	0.6
103.05475	12.2
104.78741	0.6
105.03414	0.8
105.07033	15.5
106.04205	0.8
106.07364	0.8
107.04959	100.0
107.08575	4.6
108.05261	0.8
109.06497	1.6
110.07166	5.5
111.04446	1.5
111.05615	0.7
111.08082	0.6
115.05453	9.1
117.03355	3.0
117.06997	2.8
119.04966	1.3
119.08571	1.0
120.05708	3.4
121.06499	2.4
121.10133	2.6
123.04438	3.4
123.08074	1.0
124.05234	1.9
125.05975	2.2
125.09591	0.6
131.04941	1.0
131.08574	1.4
133.02872	1.5
133.06514	2.1
133.10143	1.0
134.03625	0.8
135.04419	1.8
135.08057	28.3
135.10788	0.9
135.11664	2.9
137.05972	2.3
138.06630	33.4
139.03903	2.3
145.02867	7.2
145.06551	0.6
145.07614	2.3
147.04449	2.3
148.05238	0.7
148.38332	0.6
149.05998	2.3
149.09631	2.2
149.13309	0.8
151.03943	1.5
152.04684	1.4
153.05502	0.5
154.03667	0.5
154.06255	7.2
161.06067	0.8
163.03906	1.9
163.06519	1.2
163.07567	30.4
165.05487	2.3
167.07050	35.8
177.05482	7.0
177.09126	1.8
180.07809	7.3
187.14529	0.5
195.03006	2.9
195.08781	45.1
195.10252	29.4
195.13817	1.9
195.15567	0.7
196.40990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0654
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
51.44889	0.5
52.22532	0.5
53.03564	0.4
53.03949	1.1
55.01867	0.8
55.05508	1.5
56.05027	0.6
56.96560	1.1
57.03431	0.5
57.47321	0.4
60.97338	0.4
63.02369	0.6
65.03944	1.0
67.05505	1.9
69.03433	1.6
69.04565	2.7
69.07070	1.1
70.05766	2.2
71.05000	1.1
72.38804	0.4
73.02882	0.4
77.03905	0.7
78.04721	1.6
79.05494	4.8
81.03413	1.1
81.07063	2.8
83.04993	1.7
83.06111	1.9
84.57825	0.4
89.03918	27.7
91.05479	5.3
93.03403	1.3
93.07055	3.9
95.04961	2.4
95.08602	1.6
97.02892	0.7
97.06538	1.1
98.97585	1.0
99.04433	0.6
99.08052	0.6
103.05481	2.0
105.03405	0.6
105.07043	2.3
106.04179	2.8
107.04954	8.3
107.08613	3.0
109.02861	0.4
109.04079	0.5
109.06522	1.2
109.10159	1.0
110.07163	7.7
110.07859	0.7
111.04470	1.5
111.05606	0.6
111.08105	1.0
117.03383	52.0
117.06992	0.9
118.03715	0.5
119.04926	0.5
119.08576	1.0
121.06509	3.7
121.10158	2.0
123.04375	0.9
123.08064	0.8
124.05222	0.6
125.05980	1.2
125.07126	2.1
125.09615	0.7
130.96338	0.8
131.08557	1.4
132.04465	0.5
133.02829	0.6
133.06531	0.5
133.10126	0.6
134.03624	8.0
135.04434	8.0
135.07164	0.7
135.08063	4.2
135.11682	1.5
137.05978	1.3
137.09615	0.7
138.06633	43.3
139.03900	0.8
139.07553	1.0
145.02853	89.5
146.03197	0.8
148.97409	0.8
149.05981	24.1
149.09615	6.0
150.06398	0.6
153.01694	0.6
153.05458	1.7
153.06563	0.6
153.09102	0.7
158.99519	0.5
159.08057	0.4
161.06160	0.5
162.03122	2.2
163.03911	12.7
163.07578	0.5
167.03426	1.0
167.07149	0.9
177.05476	100.0
177.08957	2.0
177.12721	1.0
178.05850	0.6
186.05534	1.5
195.02939	3.9
195.08781	59.7
195.13803	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1589
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03920	2.5
55.01863	4.0
55.05510	21.9
55.57638	1.7
56.96561	2.0
57.03431	5.6
57.07063	4.4
59.04990	2.7
67.05499	20.3
69.03423	5.9
69.06719	4.2
69.07069	57.1
69.38909	8.3
69.39335	8.2
71.04975	7.5
79.05483	24.9
81.07059	42.1
83.04985	5.4
83.08616	14.2
85.06541	6.7
89.17917	2.1
91.05480	19.8
93.07040	29.8
95.04971	16.3
95.08039	3.6
95.08605	50.9
97.06532	32.7
97.10192	3.4
98.20693	3.8
103.05472	13.2
105.07030	98.9
107.04961	2.9
107.08602	39.0
109.05778	4.0
109.06518	63.6
109.10156	41.6
111.08091	12.4
111.11701	14.0
115.05451	18.5
118.04153	7.3
119.04946	3.2
119.07771	3.5
119.08581	49.5
121.10134	23.1
123.08071	62.1
123.11716	13.3
125.09645	2.2
127.20184	1.9
131.04935	2.9
132.05679	4.6
133.06491	62.5
133.10126	58.9
133.10873	1.4
135.11694	72.0
135.17578	2.1
137.09604	35.8
143.06053	3.4
145.10132	2.6
147.11681	15.6
149.13246	8.0
151.11163	7.2
151.14752	2.7
154.31209	2.1
161.05991	60.5
175.11227	3.9
175.14833	57.1
193.04955	6.4
193.08597	13.4
193.10077	1.9
193.12222	6.2
193.15881	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03952	2.9
55.01860	2.8
55.05511	21.6
57.07065	8.5
59.05004	3.2
64.06353	2.0
64.62766	2.2
67.05505	28.1
68.00436	1.8
69.03442	14.2
69.07072	19.3
69.11498	1.9
69.91737	1.7
70.03493	7.0
71.04990	6.1
79.05494	14.1
81.07059	36.3
83.04535	2.4
83.04982	24.7
83.08626	14.1
85.06557	4.8
91.04950	1.9
91.05454	12.9
93.07040	20.7
95.04960	4.0
95.08034	3.8
95.08605	56.0
97.06501	3.6
98.21573	2.0
103.05457	6.1
105.07036	51.1
107.08600	46.2
109.06526	20.0
109.10156	82.3
111.08101	9.4
115.05440	5.8
118.04147	6.0
119.08591	50.8
121.10152	27.0
123.08077	41.7
123.11723	9.1
125.09641	3.8
125.50419	2.1
133.06505	28.2
133.09218	3.5
133.10138	42.2
135.11697	68.9
137.09618	38.3
138.10373	5.7
147.11670	4.6
149.13228	15.9
151.11227	13.6
151.14828	10.7
155.29889	2.2
161.05995	36.3
165.16293	3.6
174.82486	2.0
175.14835	41.1
188.07869	1.8
193.05128	2.1
193.08655	5.4
193.15875	100.0
194.74083	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	193.1587
Annotation	gamma-Ionone
Peak:m/z	Relative Intensity
52.83368	2.7
54.11929	2.7
55.05511	21.2
57.07061	7.0
59.04990	3.0
65.56634	2.4
67.05206	3.2
67.05506	32.3
69.03421	11.0
69.07076	23.9
70.92376	6.3
71.04978	3.7
79.05483	11.9
79.37575	3.3
81.07056	36.6
83.04973	19.1
83.08612	12.6
85.06518	4.2
91.05495	13.9
92.28787	3.2
93.07058	28.0
95.08041	4.5
95.08609	63.7
99.08055	3.6
105.07019	24.4
107.07946	4.7
107.08600	51.6
109.06525	16.6
109.10162	85.2
111.08066	11.0
119.08580	70.9
121.10147	36.6
123.08085	37.9
123.11691	11.9
133.06462	2.7
133.07590	2.4
133.09212	4.5
133.10123	48.0
135.11690	100.0
137.09625	30.1
145.83377	2.6
147.11710	4.2
148.15111	3.2
149.13289	20.7
151.11218	12.4
151.14804	8.4
154.85567	2.7
175.14824	45.5
193.15883	73.8
201.73219	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	21.1
55.12646	3.1
55.37062	2.8
57.03424	3.0
57.07069	8.5
60.55021	2.9
61.56596	3.1
62.26997	3.1
66.22811	2.5
67.05502	24.9
69.03412	8.8
69.07067	36.9
70.00014	15.8
71.04994	6.6
71.91105	2.7
79.05479	12.4
81.07055	30.5
83.04977	18.9
83.08634	19.0
85.06548	3.4
91.05480	17.9
93.07040	30.3
95.00717	2.7
95.04942	7.9
95.08607	65.7
97.06532	19.5
97.10149	4.3
105.07021	33.7
107.08599	53.4
109.06504	39.4
109.10158	70.4
111.08084	12.6
117.06997	4.5
119.07770	6.5
119.08578	74.0
120.09419	2.8
121.10146	32.4
123.08076	39.2
123.11723	8.7
125.09589	4.4
133.06505	6.9
133.10130	60.9
135.10670	5.3
135.11697	95.8
137.09618	33.6
147.11667	14.3
149.13245	16.6
151.11079	6.2
151.14842	7.3
161.06036	5.8
172.61005	2.9
175.11290	4.7
175.14833	51.3
193.08710	3.2
193.12259	4.0
193.15886	100.0
193.17664	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03943	4.9
55.01852	2.9
55.05516	34.5
57.07059	6.3
59.04986	3.5
65.03924	2.5
67.05169	2.8
67.05508	54.4
69.03421	4.5
69.07071	12.6
71.04990	4.1
76.48160	2.0
79.05106	2.3
79.05506	21.8
81.03412	2.3
81.07066	30.7
83.04980	15.0
83.08583	3.0
85.06548	27.1
91.05478	19.7
93.07047	24.8
95.04970	8.4
95.08035	3.9
95.08607	52.0
98.21494	6.5
98.97602	15.2
99.08098	99.4
103.05489	10.1
105.07032	84.0
107.08595	28.0
109.06515	7.8
109.10162	100.0
109.81223	1.9
111.08073	9.6
115.05448	13.7
117.07036	2.6
118.04152	6.2
119.08586	35.5
121.10130	13.1
123.08098	11.3
123.11694	8.8
131.04878	3.7
131.08549	3.5
133.06500	57.2
133.09230	1.9
133.10126	54.4
135.08080	2.3
135.11702	33.9
137.09625	65.8
137.10689	3.2
138.10423	2.4
143.06055	4.8
147.11707	10.3
149.13251	6.5
151.11162	7.1
151.14798	5.4
158.99699	6.9
161.05989	68.0
175.11200	4.0
175.14822	25.6
175.66716	1.9
177.00717	3.0
182.07034	4.8
193.04999	5.2
193.07117	2.1
193.08542	13.0
193.12231	7.2
193.15886	91.4
193.17653	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63853	1.3
51.23939	1.3
53.03934	3.8
54.44044	1.3
55.01856	4.0
55.05511	24.9
56.96559	3.4
57.07053	6.2
59.04998	3.2
60.03090	1.3
65.03911	2.9
67.05505	57.8
69.03429	3.0
69.07071	12.3
71.04986	5.4
71.20963	1.5
71.32024	3.1
72.11314	1.5
79.05502	18.3
81.03463	2.3
81.07056	26.2
83.04980	10.8
83.08620	3.1
84.08150	3.5
84.93763	1.6
85.06056	2.4
85.06546	39.7
91.05486	19.7
93.07043	33.2
94.54883	1.2
95.04978	10.0
95.08615	36.6
97.10181	1.9
98.97588	8.7
99.08093	34.5
103.05476	7.4
105.07034	65.7
107.08596	32.3
109.06510	6.5
109.10161	100.0
110.97537	1.4
111.08052	4.1
115.05450	11.4
116.39220	1.4
116.98633	3.2
118.04151	5.4
119.07774	2.6
119.08585	34.7
121.10155	10.1
123.08060	8.8
123.11709	6.0
125.09641	1.4
131.04974	1.4
131.08580	3.6
133.02885	2.1
133.06500	40.4
133.10132	74.7
134.10345	2.1
135.08087	4.0
135.10670	3.1
135.11699	48.1
137.09618	68.3
143.06055	3.1
146.97443	1.6
147.04433	2.7
147.08008	2.0
147.11674	9.8
149.13263	3.8
151.11182	4.9
151.14787	2.3
152.03279	1.6
158.99603	1.7
161.05997	39.7
164.12527	1.7
165.05486	3.4
165.16411	1.8
168.13844	3.3
173.06435	1.9
175.03818	1.7
175.07420	1.9
175.11217	4.7
175.14842	22.8
193.04982	17.4
193.08557	6.8
193.12227	4.0
193.15889	71.5
193.23781	1.3
194.16257	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0861
Annotation	(E)-Methyl 4-methoxycinnamate
Peak:m/z	Relative Intensity
50.11035	0.5
50.69262	0.7
53.03950	1.9
55.01870	5.1
55.05511	1.1
56.96567	3.0
61.02896	0.7
63.39109	0.7
66.04722	0.7
67.05506	0.7
69.03438	3.8
69.07073	0.8
69.69895	2.2
69.70310	2.2
79.05494	13.1
81.03356	0.9
81.07060	1.2
83.04965	0.9
89.03951	0.6
90.04702	1.2
91.05482	8.1
93.07050	1.4
95.04969	2.0
95.08615	1.5
97.02906	1.0
98.97599	1.8
99.08127	1.1
99.66975	0.7
103.05463	16.0
104.06239	1.0
105.07034	100.0
105.40335	0.7
107.04990	1.0
109.04153	0.8
109.10219	1.2
115.05463	21.0
118.04156	9.7
119.08560	1.9
124.15922	0.7
125.09647	1.1
131.04944	4.4
131.08531	1.8
132.05733	1.8
133.06494	85.2
133.10138	8.8
134.06866	1.2
137.09615	1.3
143.04977	1.4
143.06015	8.2
146.03638	2.0
147.11714	1.9
153.30287	0.7
161.05986	95.2
162.06459	1.0
172.05734	1.3
175.03864	1.0
175.11168	1.4
178.06241	3.2
181.06239	2.5
184.45320	0.7
190.06671	1.0
193.05008	3.1
193.08600	14.1
193.12329	1.7
193.15929	1.6
199.06342	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25146	0.7
53.03948	1.5
55.01862	2.8
55.05505	1.8
56.96569	28.1
57.03442	7.1
60.04520	1.1
60.86865	0.7
60.95832	1.3
61.02929	6.4
62.06092	0.6
67.05503	2.1
68.00273	3.5
69.03132	0.7
69.03440	10.5
71.01354	1.1
71.04984	1.6
71.60210	1.3
71.95264	1.0
72.08136	2.0
72.80683	0.7
73.02916	8.6
74.97605	0.8
75.00999	0.9
77.00796	4.2
80.00222	0.8
80.05070	0.7
81.01062	1.0
81.03427	3.9
83.00786	3.9
83.04973	4.1
84.04488	1.4
84.08150	1.2
84.96036	1.4
85.02918	8.0
86.03210	0.8
86.09716	0.6
87.00993	1.0
87.04451	1.6
89.00782	8.1
90.01558	1.7
91.05468	3.1
92.01241	1.1
93.01024	1.4
95.00753	1.0
95.04971	1.9
96.01543	2.2
97.02902	6.8
98.01301	15.8
98.97588	32.7
99.04465	3.1
99.97921	1.3
101.00833	1.9
102.01562	4.1
105.02080	2.0
105.07016	1.1
107.01820	9.9
108.01476	1.1
108.08118	0.9
109.02864	3.4
109.06523	0.9
110.01270	2.0
110.51389	1.0
110.97586	7.0
111.02069	10.4
111.02782	1.4
111.04425	1.6
111.97861	0.8
112.01004	1.3
112.99117	2.1
116.01240	1.4
116.98629	11.9
117.02030	1.5
119.01817	8.3
119.04967	1.6
119.51951	1.1
120.02592	19.7
121.06512	1.8
122.06063	1.6
122.52785	0.8
123.02069	1.3
123.04416	3.2
124.02886	0.9
124.11203	1.1
124.99092	1.9
125.01766	2.2
127.03918	1.7
128.02293	1.9
128.07057	1.7
128.98618	7.8
129.03102	42.9
129.53255	2.8
130.02808	1.8
131.00166	1.8
131.01851	2.8
131.53369	1.2
131.96179	1.2
132.02573	1.3
132.95822	3.1
134.03668	1.0
134.06041	1.0
134.99623	3.1
136.07582	30.0
136.93155	1.0
137.05968	1.4
138.02539	2.0
138.03609	4.9
140.02321	1.6
140.53891	0.9
140.98579	1.0
141.03085	1.0
143.00168	3.6
143.01865	1.6
144.10210	0.8
144.98087	0.9
145.05006	0.9
146.02306	2.1
146.04231	1.0
146.06001	1.8
146.08119	1.8
146.09633	3.3
146.99643	5.2
147.03082	1.5
147.04291	0.9
148.07619	0.9
149.01192	2.0
149.02678	0.8
149.08310	1.2
150.05533	2.2
150.96913	4.6
151.06316	6.5
152.04102	2.6
153.01805	0.9
155.00162	1.3
155.02858	1.5
156.03534	0.9
157.03372	1.0
158.99641	3.5
160.03827	1.0
161.01321	3.8
161.02867	3.9
161.04633	1.2
162.03630	1.7
162.09122	0.9
162.99130	1.1
163.09897	1.5
164.07030	7.2
164.10722	14.6
168.03688	1.3
168.06583	1.6
168.98065	1.7
169.91740	0.7
170.03264	3.1
170.99638	0.9
172.55489	0.9
173.01169	1.7
173.02965	0.9
174.09074	1.4
177.00742	2.8
177.07819	1.4
179.02242	2.2
179.04660	1.5
183.04129	3.6
186.96878	2.0
186.99110	3.6
187.02711	2.1
187.92825	1.2
192.04700	12.7
192.06552	3.1
192.10202	100.0
192.13666	4.2
192.17523	2.3
192.52666	0.7
193.04988	1.3
194.55203	0.8
197.03522	1.1
205.00230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03944	1.3
55.05516	14.8
57.07067	3.7
62.27881	1.3
67.05507	15.4
67.07265	1.4
67.33305	1.2
69.06716	2.4
69.07069	43.4
79.05492	14.1
81.07055	16.9
83.08617	17.8
91.05474	6.0
93.07044	53.3
95.05025	1.2
95.08610	77.1
97.10166	9.3
105.07039	5.0
107.08591	58.1
109.06509	1.6
109.09450	2.4
109.10161	36.2
111.11699	2.1
113.33183	1.3
119.08556	3.3
121.10145	77.9
123.11714	8.7
133.10136	2.4
135.11690	61.9
136.19841	1.2
147.11586	1.5
149.13263	13.8
163.14854	3.6
191.10603	2.1
191.14343	3.1
191.17952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03938	1.2
55.05510	15.0
56.01072	1.2
57.07061	2.0
57.47194	1.2
63.46117	1.1
67.05506	11.4
69.06708	2.2
69.07069	33.9
70.52906	1.4
70.53246	3.8
72.48785	1.4
74.32118	1.4
79.05505	12.7
81.07069	13.6
83.08629	9.4
85.39082	1.1
89.77277	1.1
91.05485	5.1
91.12936	1.2
93.07049	42.6
95.04951	1.6
95.08609	61.5
97.10172	9.9
105.07027	4.3
107.08602	47.7
109.10158	29.8
111.11720	2.2
119.08591	3.1
121.10151	61.1
123.11687	6.6
133.10106	1.4
135.11697	50.2
147.11755	1.3
149.13261	11.9
163.14825	1.7
191.10588	1.3
191.14279	3.4
191.17947	100.0
191.93228	1.2
192.18486	1.2
195.10600	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1794
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
53.03941	3.0
53.07957	1.7
53.61931	1.8
55.05519	12.5
56.96564	4.1
57.07064	5.0
67.05520	13.8
69.03423	5.8
69.06712	2.6
69.07072	41.3
71.04979	2.7
79.05490	21.8
81.07065	23.0
81.31799	1.6
83.04974	4.5
83.08619	15.8
84.03162	1.7
91.05499	12.7
93.07051	51.9
95.04971	4.6
95.08615	71.9
95.09225	3.7
97.10158	7.4
103.05460	5.7
105.07046	13.4
107.04950	6.1
107.08604	59.9
109.06531	5.6
109.10165	33.5
117.07001	2.5
119.08589	9.7
121.06502	6.3
121.10152	72.8
123.08045	2.8
123.11732	5.4
130.07814	2.3
131.04921	3.1
131.08598	11.9
132.96434	2.6
133.06506	2.0
133.10124	10.3
135.04485	2.2
135.08104	9.5
135.11705	55.9
141.96991	2.2
144.47343	2.1
145.03571	2.1
145.10124	10.0
147.11684	6.3
148.08727	1.8
149.09607	10.6
149.13304	16.2
158.10919	2.2
159.04443	1.9
160.05067	2.3
161.09593	2.0
163.07527	4.4
163.11208	2.5
163.14867	2.7
173.09647	2.9
173.13275	12.5
174.45493	1.9
176.04649	2.6
176.08266	2.2
191.03407	3.4
191.07051	7.2
191.10654	12.2
191.14320	40.5
191.17955	100.0
208.99918	1.8
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
51.02362	1.3
53.03931	3.5
55.01862	3.7
55.05513	13.0
55.42590	1.3
57.03432	1.4
57.07067	3.4
65.03928	2.1
66.13739	0.9
67.05502	16.9
69.03427	13.6
69.07071	23.9
71.05003	2.1
71.61009	1.8
71.61389	1.5
77.03905	1.2
78.25275	1.0
79.05498	29.3
81.07064	23.4
83.04982	7.9
83.08246	0.9
83.08623	8.6
85.06548	1.4
89.91631	1.1
91.05482	25.2
93.07049	44.0
95.05000	7.3
95.08608	37.7
97.06519	4.6
97.10136	4.0
98.85564	1.2
102.04693	2.4
102.73705	1.0
103.05470	27.7
105.03410	2.6
105.04533	1.2
105.06367	2.0
105.07034	28.0
107.04955	11.9
107.08596	66.9
109.02894	1.4
109.06510	9.1
109.10151	20.0
115.05429	3.9
116.06271	2.2
117.07035	7.6
118.04155	8.0
119.04955	3.2
119.06058	1.3
119.08575	21.2
120.05724	2.3
121.02835	1.0
121.06506	13.7
121.10143	54.6
123.08070	2.2
123.11692	4.3
129.06981	3.0
130.04111	3.3
130.07790	2.1
131.04933	20.0
131.08571	28.2
133.02785	5.0
133.06470	3.7
133.10127	23.8
135.04451	1.3
135.08066	17.7
135.10675	1.4
135.11691	28.7
137.09607	4.6
143.08536	6.5
144.09358	2.1
145.06436	2.9
145.10127	18.1
146.03557	2.7
147.04402	2.3
147.08049	3.4
147.11681	13.8
148.05203	12.8
148.06329	1.7
148.08786	2.1
149.05978	1.7
149.09628	15.0
149.13269	16.3
158.07286	1.3
158.10910	7.6
161.09618	3.1
161.13266	3.2
163.03888	1.9
163.06250	1.8
163.07545	23.1
163.11157	4.6
163.14825	14.7
173.05923	1.4
173.09711	6.4
173.13271	24.4
173.14653	2.1
176.04671	5.8
176.11984	5.2
183.07579	1.1
191.03354	3.3
191.07040	21.3
191.10686	15.7
191.14308	100.0
191.17963	32.7
192.14664	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92630	0.9
53.03956	1.0
55.01857	1.3
55.05513	4.3
57.07067	1.4
65.03939	1.8
66.90186	1.0
67.05505	11.8
69.03429	15.0
69.06773	1.0
69.07074	12.4
69.77084	4.6
71.04993	1.4
79.05494	10.0
81.07059	14.6
83.04974	10.4
83.08617	3.0
85.06535	1.9
91.05479	11.4
93.07043	13.2
95.04420	1.5
95.04965	15.3
95.08608	16.7
97.06532	7.5
103.05453	2.4
105.07033	16.1
107.04974	4.2
107.08593	40.7
109.06518	7.9
109.10149	4.4
111.08096	2.3
115.05474	1.5
117.07001	3.4
118.04168	1.6
119.08582	10.0
121.06500	16.2
121.10142	26.8
123.08055	4.1
129.07018	1.9
130.07802	1.4
131.04951	2.1
131.08572	16.2
133.06496	1.7
133.10130	24.0
135.08055	18.6
135.11703	8.4
136.08757	1.1
137.09608	1.2
143.08534	4.6
144.09366	1.2
145.10103	9.3
147.08006	4.5
147.11681	17.6
148.05153	1.3
148.08835	6.8
149.09634	13.5
149.13272	10.5
158.10918	8.2
161.09644	3.1
163.07567	1.2
163.11292	1.2
163.14790	8.2
171.11772	1.2
173.13264	25.2
176.04735	1.0
176.11992	1.4
181.91672	0.9
185.39285	0.8
191.07034	2.1
191.14307	100.0
192.14630	1.1
209.78862	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03939	0.9
55.05511	3.0
57.03434	1.1
67.05507	4.5
69.03431	13.3
69.07072	5.9
71.15972	0.8
71.16306	0.6
79.05490	9.1
81.07057	8.2
83.04977	4.0
83.08624	1.0
83.32446	0.5
85.06536	0.8
91.04943	0.9
91.05472	8.2
93.07045	7.2
95.04958	0.9
95.08603	3.9
97.06521	1.1
103.05479	1.0
105.06361	1.2
105.07027	13.6
107.04951	4.9
107.08600	22.8
109.06518	2.2
109.10154	7.9
115.05457	1.5
117.07055	1.7
118.07812	1.1
119.08571	5.3
119.20652	0.6
121.06519	2.3
121.10146	15.5
122.07301	2.4
123.08074	2.4
129.07002	1.2
131.08563	7.5
133.10133	100.0
134.10548	1.0
135.08060	5.3
135.11693	3.0
137.09618	13.5
143.08546	2.2
144.09344	1.0
145.10126	5.6
147.11684	2.3
149.09607	1.9
149.12157	1.0
149.13266	12.0
158.10902	5.0
161.09576	0.9
163.14828	2.6
173.13268	18.0
182.40617	0.6
187.00165	0.5
191.14323	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
53.97850	0.8
55.01879	1.4
55.05521	4.9
57.07066	2.1
65.03917	1.1
67.05508	7.8
69.03433	18.1
69.06763	1.0
69.07078	10.5
69.52839	4.5
69.53243	2.5
71.05004	1.4
79.05498	7.1
81.07062	10.4
83.04989	12.4
83.08623	3.0
87.91805	1.0
90.68578	1.0
91.05483	9.8
93.07049	11.5
95.04958	9.3
95.08607	12.7
97.06532	5.0
103.05469	2.7
105.07044	13.4
107.04989	1.5
107.08603	33.3
109.06537	4.8
109.10123	1.6
111.08098	2.7
117.07012	2.7
119.08588	9.8
121.06514	12.2
121.10149	25.3
123.08053	3.7
129.07022	2.6
130.07790	1.5
131.08569	14.1
133.06505	1.5
133.10136	14.7
135.08072	16.6
135.11674	6.8
143.08563	4.1
144.09355	2.1
145.10132	8.7
145.36023	0.8
147.08069	2.2
147.11691	13.9
148.08864	4.8
149.09654	13.5
149.13275	9.6
158.10931	7.9
161.09645	2.9
162.10458	1.0
163.07561	1.0
163.11150	1.2
163.14842	5.8
171.11575	1.1
173.13272	21.7
176.12016	2.6
191.06975	1.8
191.10785	2.0
191.14320	100.0
192.14722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Damascenone
Peak:m/z	Relative Intensity
51.66227	0.4
53.03956	0.9
54.19835	0.3
55.01882	0.5
55.05519	2.9
57.03432	0.6
57.07093	0.6
59.05017	0.4
59.67356	0.3
65.03951	0.5
67.05202	0.4
67.05498	1.9
69.03435	2.5
69.07076	2.5
70.82104	0.7
71.04992	0.6
77.03935	0.4
79.05499	5.2
81.07049	3.2
83.05000	2.1
83.08630	0.9
83.53236	0.4
85.06558	1.0
91.05485	7.1
93.07047	10.4
93.27332	0.3
95.04971	1.6
95.08596	3.9
97.06527	1.5
103.05460	5.1
105.07032	9.8
106.07807	0.5
107.04977	1.4
107.07860	0.6
107.08600	11.1
108.18005	0.4
109.06503	2.0
109.10146	1.8
111.08017	0.5
115.05461	1.4
117.00883	0.3
117.07007	2.0
118.04179	1.4
119.08600	4.4
120.05669	0.4
121.06529	3.0
121.10147	12.5
123.08096	2.1
129.07033	0.9
130.04166	0.7
130.07758	0.5
131.04932	3.0
131.08577	7.7
132.05739	0.4
133.02859	0.5
133.06552	0.8
133.07442	0.3
133.10133	11.5
135.08073	5.1
135.11656	2.2
136.08836	0.4
137.09625	1.0
143.08588	1.2
144.09366	0.7
145.06476	1.3
145.10126	4.2
146.75684	0.4
147.08066	0.6
147.11681	3.4
148.04115	0.3
148.05161	2.1
149.02371	0.8
149.09622	100.0
149.13205	4.1
149.75000	0.4
150.09944	0.7
158.10912	2.2
159.08032	0.5
161.09700	0.5
163.03903	0.4
163.07544	3.5
163.11200	0.9
163.14833	2.0
169.19814	0.5
173.06000	1.2
173.11914	0.6
173.13280	7.9
176.04662	1.0
191.03360	0.8
191.07021	5.0
191.10706	2.5
191.14301	20.8
195.45752	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.2
55.01863	1.9
55.05515	10.4
57.07058	2.6
58.67992	1.7
62.85242	1.5
67.05504	9.8
67.14788	1.4
69.03426	12.1
69.07071	11.1
70.47091	3.6
70.47459	2.9
71.04977	4.8
79.05494	13.9
81.07052	24.9
82.94270	1.4
83.04972	10.3
83.08593	3.3
85.06540	2.5
86.67892	1.5
91.05488	21.5
93.07038	29.6
95.04955	6.9
95.08607	30.4
97.06529	11.8
99.08094	1.6
103.05469	11.3
105.07026	34.6
107.04958	23.6
107.07860	3.7
107.08591	69.3
109.06503	21.5
109.10111	7.2
111.08061	6.4
117.06982	4.6
118.04149	3.7
119.08584	20.0
121.06502	44.4
121.10136	56.4
123.08060	16.9
129.07007	4.2
131.04897	4.8
131.08572	31.9
133.02852	2.3
133.10121	32.2
135.08064	27.6
135.11691	6.0
137.09573	2.3
143.08566	4.9
144.09384	2.9
145.10121	15.5
147.11684	19.3
148.05151	4.9
149.09627	36.1
149.13254	15.3
155.14284	1.7
158.10840	7.5
163.07532	7.0
163.11163	6.4
163.14819	14.1
173.13242	39.5
178.69936	1.5
191.06995	3.9
191.14297	100.0
192.08278	1.8
194.73965	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03932	2.4
55.01860	3.2
55.05515	5.7
57.03426	1.0
57.07073	1.2
59.04995	3.4
65.03915	1.2
67.05502	7.6
69.03434	11.5
69.06713	1.1
69.07069	14.5
70.57032	0.8
71.04988	1.7
71.50799	1.7
72.39082	0.8
73.13373	0.8
79.05503	11.3
81.07054	9.8
83.04996	5.9
83.08624	3.8
85.06519	1.7
91.05488	15.2
93.07053	21.7
95.04955	4.0
95.08614	17.1
97.06543	11.3
98.97569	1.6
102.04652	1.5
103.05479	14.1
104.97716	0.9
105.03381	1.9
105.07034	19.1
105.07738	1.2
107.04984	4.1
107.08604	29.1
109.06536	9.2
109.10172	7.6
111.08134	1.1
115.05470	3.5
116.06223	1.2
116.98653	1.0
117.07005	6.6
118.04170	4.8
118.95162	0.8
119.04953	1.2
119.08579	9.1
120.05756	1.1
121.06515	16.0
121.10146	19.4
123.08060	3.4
123.25894	0.9
129.07002	3.5
130.04176	1.7
130.07771	3.5
131.04922	11.0
131.08571	20.0
132.05675	1.2
133.02861	2.2
133.06500	2.0
133.10129	17.7
135.07071	1.7
135.08060	21.3
135.11687	9.5
137.09608	1.9
143.08542	5.4
144.09393	2.0
145.06461	1.9
145.10130	19.9
147.04414	1.2
147.08115	1.0
147.11691	18.2
148.05185	7.6
148.08815	1.0
149.05908	2.0
149.09636	13.3
149.13258	10.9
158.07234	1.4
158.10922	7.1
161.06032	1.0
161.09616	5.3
163.07561	12.1
163.11183	6.1
163.14844	5.4
173.05977	1.1
173.09663	5.5
173.13271	33.5
176.04700	2.6
176.11919	2.9
191.03372	2.0
191.07027	13.2
191.10718	11.7
191.14313	100.0
191.17960	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	191.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91397	0.8
52.54222	0.9
53.44287	0.9
53.88190	0.9
55.01872	0.9
55.05511	5.1
57.07070	1.6
61.18418	0.9
65.03924	0.8
67.05496	3.5
69.03432	16.7
69.07073	8.8
69.80447	5.0
71.04985	1.5
79.05486	5.8
81.07056	3.7
82.92267	0.8
83.04534	1.2
83.04988	13.5
83.08604	3.1
83.61054	0.9
85.06538	1.3
91.05486	8.8
92.65966	1.0
93.07067	8.0
93.72512	0.8
95.04970	1.5
95.08581	4.5
97.06526	2.6
103.05462	3.6
105.07043	11.0
107.04984	1.6
107.08596	25.6
109.06502	2.8
109.10128	1.5
115.05476	1.4
117.07006	3.5
119.08588	7.1
121.06520	6.4
121.10151	15.2
123.08087	3.2
129.06996	2.0
131.04984	2.2
131.08569	15.1
133.02803	1.2
133.10141	15.6
135.08058	14.4
135.11705	2.7
136.08862	2.2
136.89876	0.9
143.08577	4.5
144.09346	1.3
145.06528	1.2
145.10121	7.0
147.08102	1.0
147.11696	7.8
148.05174	2.2
149.09627	6.1
149.13266	5.8
158.10907	8.2
161.09660	5.4
163.07504	3.2
163.14804	1.9
173.13269	18.9
174.77428	0.9
176.11946	2.6
191.07034	4.6
191.14313	100.0
191.61223	1.0
193.83354	0.9
194.32767	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03928	3.6
55.01863	2.6
55.05502	10.1
57.03421	3.0
57.07085	1.9
65.03934	2.7
67.05512	12.0
69.03426	21.5
69.07064	13.7
71.04985	2.9
71.17818	4.1
79.05505	21.3
81.07056	56.4
83.04967	7.9
83.08623	2.9
85.06511	6.5
91.04957	2.4
91.05482	31.1
92.32396	1.6
93.07046	45.4
93.91463	1.6
95.04952	6.7
95.08601	25.4
97.06535	13.9
98.91254	2.1
99.08078	2.1
103.05466	2.3
105.07030	63.6
107.04955	2.3
107.08596	81.8
109.06516	15.5
109.10154	5.9
111.08089	5.4
115.05473	2.7
116.06227	2.0
117.06995	10.5
119.08585	26.3
121.06496	19.9
121.10146	50.1
123.08066	11.7
129.06999	7.6
130.07762	4.3
131.07564	3.6
131.08568	74.3
133.10133	72.0
135.08054	20.5
135.11688	11.4
143.08530	7.9
144.09332	4.8
145.10132	39.3
147.11679	30.9
149.09634	21.2
149.13251	25.6
158.10936	12.1
159.30975	1.7
161.09557	1.7
163.11172	6.8
163.14853	18.7
173.11746	2.6
173.13264	61.8
191.10730	9.5
191.14305	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03938	4.9
55.01875	2.1
55.05514	10.7
57.03421	3.2
57.07063	4.6
65.03934	1.5
67.05509	17.0
69.03432	26.7
69.07074	12.6
70.89450	2.1
70.89782	3.0
71.05003	8.0
79.05051	3.0
79.05498	48.8
80.42368	1.8
81.06573	2.4
81.07057	40.6
83.04974	11.3
83.08613	4.1
83.42564	1.7
85.06536	4.9
85.10143	2.0
91.04948	2.8
91.05482	29.9
93.07045	34.7
95.04972	8.7
95.08610	17.8
97.06532	5.8
103.05479	19.2
105.07037	36.8
107.04965	24.7
107.08599	76.9
109.06539	13.0
109.10157	33.3
111.08094	1.8
111.61131	1.4
115.05442	3.8
117.07008	10.4
118.04172	5.0
119.08581	17.8
121.06515	11.8
121.10147	41.3
122.07254	3.1
123.08072	12.9
129.07018	4.8
130.04155	2.0
130.07721	2.3
131.04944	10.3
131.08571	36.3
133.02866	3.1
133.06503	3.9
133.10135	94.8
135.08057	32.1
135.09074	1.9
135.11690	14.3
137.09625	11.5
143.08530	9.6
144.09436	2.6
145.06459	2.3
145.10121	20.0
147.08098	3.2
147.11690	11.9
148.05209	8.4
149.09605	12.1
149.13257	23.7
158.10873	11.7
161.05911	1.7
161.09633	3.9
163.07576	12.6
163.11214	4.2
163.14815	8.6
173.05971	4.0
173.09657	5.4
173.13278	34.9
176.04646	5.0
176.12006	1.9
191.03419	2.8
191.07076	17.2
191.10724	12.8
191.14317	100.0
191.17979	6.7
211.03767	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.2
55.05516	13.3
57.03432	3.9
57.07056	3.5
65.03931	2.1
67.05518	9.3
69.03434	24.3
69.07071	12.9
71.04974	5.0
71.18040	3.0
79.05495	22.7
81.06570	3.2
81.07059	62.8
83.04987	9.8
83.05386	1.9
85.06541	5.0
91.05478	28.9
93.07048	49.3
95.04962	8.0
95.08619	31.1
97.06525	13.3
99.08103	2.3
103.05436	3.1
105.07035	65.8
107.04939	2.5
107.08598	89.4
109.06528	16.6
109.10143	6.5
111.08081	5.7
115.05409	3.6
117.07011	9.8
119.08581	32.1
121.06523	22.0
121.09291	4.0
121.10148	57.8
123.08085	15.4
129.07016	6.7
130.07802	3.3
131.08572	69.3
133.10135	76.1
135.08063	22.0
135.11702	11.5
143.08554	7.1
144.09390	4.5
145.10129	38.5
147.11691	27.9
149.09642	18.9
149.13260	30.3
158.10860	9.9
163.11156	6.8
163.14830	20.4
173.13278	62.7
191.10660	8.0
191.14310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1067
Annotation	Aristelegone A
Peak:m/z	Relative Intensity
53.03929	1.8
55.01855	2.9
55.05507	1.4
67.05504	7.9
69.03424	2.0
69.70251	3.2
69.70655	2.3
71.04984	3.3
77.03931	1.3
79.05054	1.3
79.05493	17.9
81.07049	2.9
83.04965	3.8
91.05481	29.0
93.07050	9.6
95.04957	4.0
95.08606	2.1
103.05434	3.0
105.07037	21.5
107.04967	7.1
107.08595	12.7
108.05706	0.9
109.06508	3.6
109.10150	1.1
115.05482	3.0
116.06277	4.3
117.07027	14.4
119.08581	14.4
121.02934	1.0
121.06495	9.0
121.10136	4.6
126.49844	0.8
128.06223	2.2
129.07004	10.0
130.04120	1.0
130.07800	5.5
131.08569	100.0
131.24420	0.9
133.06490	1.8
133.10139	4.1
135.04370	3.2
135.08057	5.6
135.11656	1.9
143.08560	3.4
143.93335	0.9
145.06479	7.1
145.10124	45.8
147.08034	12.4
147.11603	0.9
148.05237	1.1
149.05963	3.6
149.09621	18.2
155.08600	5.0
158.07266	1.3
163.07552	16.1
163.11203	7.8
173.09636	24.0
173.13261	3.0
191.10675	71.9
191.14099	2.0
191.15446	3.8
191.34189	0.9
192.10999	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0703
Annotation	1,2,3,4-Tetrahydro-4-oxo-1-naphthoic acid
Peak:m/z	Relative Intensity
53.03931	3.7
55.01869	2.0
55.05502	3.9
56.32365	1.1
57.07053	1.1
65.03933	1.8
66.04727	3.0
67.05504	7.0
69.03417	4.6
69.07066	5.5
69.47316	6.7
69.47736	3.0
71.04979	2.5
77.03916	1.8
79.05499	15.9
81.07064	6.3
83.04968	4.9
83.08575	1.5
85.06525	1.7
90.04708	3.3
91.05482	29.9
91.93156	1.2
92.06242	2.4
93.07052	9.8
95.04961	7.0
95.08611	6.6
97.06531	1.6
98.21435	2.6
98.97571	1.3
102.04684	8.9
103.05473	100.0
105.03396	11.5
105.07030	28.8
107.04964	13.9
107.08599	18.6
109.06522	5.0
109.10164	10.5
111.08013	1.8
115.05450	9.4
116.06242	2.8
117.07024	15.2
118.04172	29.2
119.04970	8.8
119.08585	14.5
120.05723	3.9
121.06540	8.0
121.10155	11.4
123.08071	3.5
128.06293	1.4
129.07025	5.7
130.04153	11.8
130.07784	2.6
131.04938	62.3
131.08571	62.4
132.05685	5.2
133.02859	19.1
133.06506	8.3
133.10127	11.5
135.04404	2.9
135.08063	14.9
135.11699	3.5
143.08556	2.8
145.06522	7.3
145.07516	1.2
145.10124	28.6
146.03638	8.8
147.04449	4.0
147.08066	4.9
147.11719	6.9
148.05199	58.1
149.05981	2.8
149.09610	12.6
149.13226	5.7
155.08548	1.8
158.10909	2.3
158.99660	1.6
159.04385	2.8
161.05991	1.9
163.03918	2.3
163.07545	84.3
163.11223	5.8
163.14853	2.7
170.11311	1.2
173.06023	7.3
173.09654	12.3
173.13313	11.1
176.04707	13.7
181.46332	1.1
191.03409	2.5
191.07043	53.5
191.10678	34.9
191.14238	30.8
194.63449	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05522	7.7
56.05035	2.7
56.96574	8.9
57.03432	6.0
58.06596	3.6
60.04517	2.9
60.08152	4.4
67.05164	2.2
67.05507	40.2
69.03428	8.7
69.07072	55.7
70.06594	60.0
71.04996	99.6
71.60046	2.9
72.04514	2.2
73.02923	2.5
79.05490	5.5
80.08070	1.4
81.03423	3.8
81.07053	10.1
83.05009	2.2
84.08134	4.4
85.02901	6.5
85.06546	3.9
86.06060	3.0
87.04453	1.9
88.07644	20.1
91.05491	7.1
93.07052	11.1
94.06574	2.6
95.04970	3.4
95.08609	43.9
97.02895	3.2
97.06515	4.0
98.06046	3.6
98.09696	3.4
98.97594	7.2
99.04462	2.9
107.04932	2.7
107.08595	3.8
109.04986	2.4
109.06526	1.6
109.10156	100.0
111.11723	13.6
112.07599	3.7
112.11224	2.9
113.06009	2.9
113.09645	2.0
116.05000	3.1
116.07056	2.2
116.98621	3.6
117.07053	2.3
119.08572	6.9
120.08107	2.0
121.02888	2.0
121.06531	2.4
126.12794	2.5
130.03665	1.7
130.08644	36.7
130.12268	4.5
130.96271	1.9
131.07025	5.3
131.08618	2.4
134.05986	1.6
134.09612	1.9
134.99663	2.1
136.11208	6.3
137.09621	25.4
138.05484	4.1
144.08067	3.7
144.10126	8.5
145.10239	2.0
146.06012	3.7
148.09688	9.0
151.06305	4.8
154.12274	44.8
155.10672	6.1
162.05502	36.9
167.00349	1.5
167.01898	3.5
172.03937	4.9
172.07582	1.6
172.12077	2.4
172.13330	59.6
185.02963	34.4
190.04967	33.3
190.08630	6.8
190.10727	2.2
190.12413	4.8
190.14391	29.0
190.15881	2.9
191.03374	3.3
191.08182	5.0
191.14296	2.8
203.04065	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	190.126
Annotation	EPTC
Peak:m/z	Relative Intensity
51.93901	0.4
55.05503	0.5
57.07075	23.4
59.98875	0.5
59.99112	4.6
62.99056	0.5
64.91961	0.4
66.50523	0.4
69.03405	1.0
69.07050	0.6
71.61993	0.7
74.59351	0.4
78.00153	36.3
79.05497	1.1
81.07040	1.0
84.08138	1.0
86.09205	0.6
86.09702	9.2
88.02213	1.0
91.05475	2.2
92.01746	1.0
93.07011	1.1
95.08583	0.6
102.04684	0.5
103.05454	2.7
105.03393	0.6
105.07014	1.5
106.07334	0.6
107.08602	1.1
115.05445	0.5
116.05331	0.7
117.07044	0.8
118.04156	0.7
119.08591	1.1
120.08096	0.5
120.08894	1.0
121.02866	0.7
121.03802	0.5
121.06477	0.5
130.06496	0.6
131.04913	2.0
131.08569	1.4
133.10132	0.8
134.06351	43.6
134.10455	1.5
135.07990	0.7
136.34351	0.5
141.97021	0.5
144.07997	0.6
145.10121	0.7
147.04390	2.2
147.11627	0.7
148.05185	0.6
148.07875	3.6
148.12105	0.7
149.02322	2.9
149.09607	0.7
160.05106	0.5
162.05486	1.0
163.07536	2.1
172.11905	0.8
173.13283	0.5
176.04688	0.7
190.06386	3.9
190.12604	100.0
191.07001	2.1
191.08614	0.8
191.10643	1.4
191.12813	1.1
191.14317	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.0499
Annotation	Kynurenic acid
Peak:m/z	Relative Intensity
50.37671	0.2
53.86771	0.2
65.28524	0.2
70.50015	0.8
71.28187	0.2
89.03905	1.2
116.04986	2.9
144.04420	2.5
162.05507	100.0
163.05913	1.0
190.04997	32.9
191.05327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1075
Annotation	Swainsonine N-oxide
Peak:m/z	Relative Intensity
54.45424	0.6
55.05494	1.3
56.05029	2.1
56.69261	0.6
56.96565	5.3
57.03431	2.1
57.07078	8.8
58.35198	0.8
58.87156	0.6
60.04528	9.3
65.03936	0.8
67.05507	15.8
69.03425	2.0
69.07071	0.9
70.06599	2.9
70.19238	2.7
70.19615	1.3
71.05005	4.5
71.05341	0.8
79.05519	0.9
84.04483	0.9
84.08147	54.0
85.02922	1.8
85.06546	100.0
86.06883	1.1
93.22739	0.6
94.69868	0.6
95.04972	1.4
95.08618	1.2
97.02904	1.5
98.09693	0.8
98.97583	6.4
102.09184	71.4
110.01281	1.3
110.97595	0.9
112.07610	5.1
112.99141	0.9
116.98661	2.0
119.01849	0.9
126.09146	2.0
128.98607	1.4
130.08646	1.9
131.00159	1.2
131.07074	1.3
134.08165	0.7
139.51540	1.0
144.10202	67.5
145.10487	0.7
146.99599	0.7
148.09692	22.3
149.01215	1.3
156.03391	1.0
158.99706	0.8
162.05464	6.3
169.04340	0.9
172.04063	0.8
178.04898	0.9
185.02975	6.0
186.04407	1.1
190.04956	4.9
190.06667	1.0
190.08641	1.1
190.10796	2.2
190.15929	1.8
198.82784	0.7
203.04097	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
53.03959	1.0
55.05262	0.6
55.05512	8.0
57.07074	1.0
65.03937	1.1
67.05508	7.2
69.03431	1.5
69.07073	12.2
79.05506	3.4
81.07058	8.5
82.42213	0.6
83.04985	1.1
83.08626	4.1
91.05487	10.7
93.07059	5.3
95.08614	38.4
96.27818	0.6
99.04449	0.8
103.05460	0.7
105.07039	36.2
107.08607	14.7
109.10146	5.8
111.67860	0.7
117.07027	2.5
118.07810	0.8
119.08591	68.6
121.02805	0.7
121.10172	5.4
129.03401	3.3
129.05501	1.3
131.05013	0.7
131.07680	0.9
131.08578	7.6
133.10141	48.5
134.10904	0.9
135.11665	0.9
143.08554	0.9
145.10130	9.9
146.10941	4.8
147.11697	47.1
148.12106	0.8
159.11711	5.7
160.12453	3.4
161.13254	9.5
171.11667	0.9
174.14079	3.3
187.14798	0.8
189.05478	5.5
189.12767	2.8
189.16394	100.0
190.16689	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05517	9.8
59.69665	0.9
62.78247	0.9
67.05508	9.4
69.03422	6.7
69.07073	12.2
70.21229	4.3
71.87551	1.0
79.05498	7.7
81.07063	21.9
83.04991	2.2
83.08612	3.7
89.43719	1.1
91.05487	15.8
93.07044	11.2
95.04963	1.2
95.08614	46.7
97.10147	1.5
105.07039	39.9
105.07748	2.0
106.96541	1.3
107.08599	16.6
109.10163	11.4
111.04391	1.5
117.06984	4.9
119.08588	72.8
121.10170	8.4
124.97610	1.1
129.03339	1.3
129.05505	2.1
131.08578	8.5
132.09377	1.2
133.10135	58.0
143.08524	1.4
145.10132	8.7
146.10898	4.1
147.11696	42.2
156.09314	1.7
159.11707	4.2
160.12463	2.2
161.13280	12.9
171.11728	1.8
174.14070	2.2
177.11568	0.9
189.05469	3.9
189.09181	3.1
189.12845	8.0
189.16393	100.0
190.16817	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05513	8.1
56.96544	1.1
65.03925	1.1
66.11534	0.7
67.05508	6.5
69.03413	1.8
69.07063	10.5
69.47773	1.8
69.48183	5.4
79.05482	3.7
81.07056	8.6
81.80428	0.7
83.04966	1.5
83.08623	3.3
83.25721	0.8
91.05492	9.8
93.07060	4.1
95.04931	0.8
95.08609	33.7
98.39254	0.8
103.05429	1.3
105.07034	35.9
106.96595	1.1
107.08605	11.0
109.10129	6.0
115.05479	1.0
117.07023	1.9
119.08586	64.7
121.10159	5.8
124.97548	0.9
129.03391	7.5
131.04919	1.1
131.08563	9.9
133.06387	0.8
133.10136	49.8
143.08521	1.2
145.10123	10.0
146.10910	3.5
147.11694	45.8
150.70764	0.8
159.11722	4.5
160.12476	3.7
161.06010	1.8
161.13264	8.6
171.11798	0.9
174.10431	1.0
174.14029	4.6
189.05481	9.8
189.09167	1.8
189.12762	3.3
189.16393	100.0
190.16768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	4.5
69.07076	1.5
69.99560	4.3
74.78992	0.9
79.05482	1.8
83.04968	1.1
91.05470	5.9
93.07099	1.5
96.31189	1.1
105.07032	12.4
107.08551	2.5
115.05441	1.4
116.06203	1.3
117.07009	3.4
119.08589	21.6
121.06548	1.1
121.10082	1.3
128.06218	4.6
129.03375	2.2
129.07022	6.1
130.07755	4.0
131.08554	8.5
133.06540	2.9
133.10162	7.3
135.08087	1.0
139.93045	1.0
141.06992	10.6
142.07655	1.0
143.08556	7.5
144.09354	2.1
145.06485	1.0
145.10129	17.2
147.08029	9.2
147.11679	16.1
155.08577	4.0
156.09349	55.6
159.08061	7.2
159.11703	15.5
160.08800	2.3
161.06017	3.7
161.09621	6.7
161.12091	0.9
161.13223	5.4
171.11691	67.5
174.06746	1.2
174.10432	10.5
189.05463	4.5
189.09157	6.4
189.12746	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.2
62.35637	1.1
63.29126	1.1
67.05494	2.7
69.03429	7.4
69.07065	1.4
70.99135	2.4
79.05481	2.0
81.07040	2.0
91.05466	5.1
93.07029	3.1
93.95069	1.3
95.04948	2.5
100.11515	1.1
105.07021	18.1
107.08576	3.9
111.26640	1.2
115.05473	1.7
117.07023	2.3
117.12650	1.1
119.08575	34.6
121.06489	3.3
121.10111	2.1
128.06157	1.8
129.06993	3.3
130.07805	1.7
131.08592	8.8
133.06453	2.6
133.10135	10.3
135.08047	3.5
141.06967	6.7
143.08533	4.7
144.09431	1.4
145.06470	2.5
145.10164	12.5
147.08063	15.1
147.11690	16.3
155.08543	2.7
156.09354	38.6
159.08049	14.8
159.11682	8.2
160.08832	4.7
161.09615	7.8
161.13235	15.6
171.11691	49.0
174.10419	28.8
189.12746	100.0
190.13095	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	188.0918
Annotation	6-Acetamido-2-oxohexanoate
Peak:m/z	Relative Intensity
50.89165	0.6
55.05255	1.4
55.05514	20.1
56.05037	30.7
56.96547	1.3
57.03436	2.7
58.06585	0.8
59.04993	1.5
60.04529	27.0
62.53785	0.6
65.03934	3.5
67.05509	13.8
69.03430	0.6
69.07057	1.1
70.06588	1.8
70.26307	0.9
70.26669	2.4
72.04515	2.1
73.06553	2.6
80.04941	0.7
81.07060	1.0
82.06580	12.1
83.04987	37.3
84.04502	3.5
84.08130	4.1
85.02898	1.5
93.03397	3.0
93.07094	0.8
93.61527	0.7
96.08076	1.4
97.02876	1.1
98.06057	1.7
98.09702	8.9
98.97585	0.8
100.07623	52.8
101.06025	37.2
102.05554	1.1
110.06062	3.8
111.04472	3.2
112.07605	5.4
112.99065	1.3
114.09180	0.9
122.48578	0.7
124.11244	3.8
126.09155	0.7
128.07120	4.1
129.05476	9.4
130.08646	2.6
131.00150	0.8
142.08643	46.7
142.12273	1.7
146.08133	100.0
170.08165	2.0
170.11739	1.4
170.15410	3.8
181.70003	0.7
184.98148	0.8
187.97824	0.6
188.09213	10.9
188.12854	6.8
188.16478	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	188.0919
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
53.03949	0.8
53.53226	0.6
55.01868	2.1
55.05512	22.3
56.05037	32.3
56.96567	2.3
57.03439	5.2
58.06590	1.4
58.34709	0.6
59.05018	1.3
60.04527	28.1
60.08146	0.7
61.02915	1.0
65.03937	4.0
67.05509	14.3
68.05032	1.2
69.03423	3.5
69.07056	0.8
69.53705	4.2
70.06598	2.6
71.04976	1.4
72.04520	2.8
72.08161	2.3
73.02920	1.8
73.06554	2.0
74.06054	0.8
79.05518	1.0
80.05028	1.5
81.03421	1.9
81.07057	1.2
82.06583	13.9
83.04984	33.5
83.08643	0.7
84.04506	17.2
84.08145	8.4
85.02888	4.3
86.06098	0.9
87.04480	0.9
93.03422	2.7
93.07104	0.6
94.06582	1.1
96.04530	0.8
96.08140	5.7
97.02922	3.4
97.03432	0.7
98.06046	3.2
98.09701	5.0
98.97594	1.9
99.02660	0.7
100.07624	48.7
101.00883	1.5
101.06023	36.3
102.05522	0.7
109.02906	0.7
110.06051	4.7
110.09660	1.2
111.04449	4.0
111.08130	1.0
112.07616	18.1
112.99133	1.2
114.05537	2.7
114.09158	1.6
114.88882	0.7
115.02486	0.7
119.01920	3.0
124.07585	4.2
124.11242	10.7
124.34900	0.7
125.02769	0.9
125.11572	1.0
126.09145	1.0
128.07092	5.7
128.98564	0.6
129.05496	7.7
129.06485	1.6
130.08673	4.0
131.00226	0.8
131.01871	1.0
137.02824	0.6
139.07507	0.7
142.05032	3.6
142.08641	56.4
142.12245	1.6
143.01900	1.6
146.08128	100.0
158.99811	0.9
159.01338	1.4
160.07588	1.2
161.02953	1.2
170.08151	5.4
170.11827	3.6
170.15414	2.0
185.03172	0.7
188.07375	1.5
188.09213	21.8
188.10735	1.3
188.12784	8.1
188.16446	7.3
189.09445	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	188.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	0.6
65.07468	0.4
67.76257	0.4
70.07143	1.7
70.07524	0.9
73.69744	0.4
81.24173	0.4
84.04508	0.6
84.08165	0.8
91.05476	5.3
99.10188	0.4
115.05450	5.7
117.05748	1.5
117.07008	4.0
118.06547	70.1
119.06858	0.4
121.94370	0.4
122.75201	0.4
126.12766	0.4
128.04970	0.5
132.08112	0.9
133.92302	0.4
140.79889	0.4
142.03264	0.7
142.06529	6.8
143.07309	12.2
144.04436	1.3
144.08090	24.5
145.06511	0.6
146.06012	100.0
147.06346	1.3
147.45970	0.4
155.06059	0.6
160.07535	1.0
170.06024	7.8
175.31689	0.4
188.07069	19.3
196.82202	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0707
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
51.02404	0.3
51.74994	0.3
53.53410	0.3
54.21049	0.3
54.92136	0.3
69.52207	2.7
82.06529	0.3
84.04502	0.7
91.05489	3.9
98.20705	0.7
103.05524	0.5
115.05458	5.5
117.05759	1.1
117.07008	4.5
118.06542	71.1
119.06911	0.5
128.13451	0.6
132.08104	0.6
141.17996	0.3
142.06508	6.0
143.07304	11.4
144.04425	1.0
144.08089	23.1
145.06519	0.7
145.08446	0.4
146.06009	100.0
147.06328	1.2
155.06076	1.0
160.07561	0.9
170.06027	8.9
188.07071	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	186.149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
55.38367	0.4
56.05043	3.1
59.50591	0.4
64.04566	0.4
65.35791	0.4
67.05510	6.5
69.85290	0.4
70.06591	3.8
73.28217	0.4
81.07049	1.3
82.06570	0.5
84.08148	100.0
85.08497	0.4
97.08938	1.0
98.09698	2.4
98.20698	0.8
109.10146	2.8
126.12801	69.2
127.13097	0.7
133.87245	0.4
144.13838	0.8
178.62498	0.4
186.14908	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	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03968	1.0
55.05527	1.3
56.96569	1.1
57.07078	3.4
58.82299	0.7
60.99402	0.7
67.05521	3.2
68.53440	0.7
69.07076	2.8
77.68673	0.6
79.05486	2.2
81.07061	5.8
83.08632	1.1
84.08134	3.7
85.08478	3.1
88.02214	3.6
91.05482	8.0
93.07057	4.3
95.08618	4.7
101.06026	0.8
103.05467	0.9
104.51003	0.7
105.03391	0.9
105.07032	16.5
107.08599	2.4
110.96792	0.7
115.05474	2.2
116.06258	1.3
117.07017	11.1
118.45470	0.7
119.08584	25.0
119.97369	1.3
127.03964	0.8
127.13144	4.3
128.06210	2.7
128.97890	0.9
129.07024	5.3
130.07803	6.9
131.04919	1.4
131.08571	27.7
131.48187	0.7
133.10158	2.7
142.08690	1.1
143.08569	9.0
144.05730	2.2
144.09369	2.9
145.10129	100.0
146.08189	1.2
146.10497	1.2
148.50082	0.8
155.06032	0.9
157.10139	9.8
158.10936	5.9
159.06975	0.9
159.08073	4.0
159.11699	15.7
169.10072	0.8
172.05208	1.0
172.08730	0.9
172.12483	8.7
185.13136	0.9
187.03783	1.0
187.07547	6.5
187.11324	4.6
187.14830	71.2
187.22565	3.7
188.15117	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.3
56.05041	4.3
67.05507	7.1
70.06585	3.5
71.06074	0.8
81.07060	0.6
84.08146	100.0
94.52848	0.5
96.08159	0.5
97.08918	1.4
98.09718	3.5
99.10133	0.5
109.10161	2.2
116.90392	0.5
126.12797	75.7
127.13083	0.6
144.13831	2.0
148.50856	0.4
186.14899	24.0
189.09305	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	185.1901
Annotation	2-Dodecanone
Peak:m/z	Relative Intensity
53.03938	1.8
55.05518	79.8
57.07080	11.6
62.71131	1.2
69.07076	100.0
69.37167	12.0
71.08636	4.3
71.36430	1.4
81.07050	1.3
83.08625	40.8
84.08138	3.8
85.10183	4.3
87.33837	1.2
97.10179	39.3
102.96854	3.8
105.75789	1.4
107.79551	1.4
111.11737	11.6
113.50011	1.2
143.08511	2.0
164.59108	1.4
166.37010	1.9
174.71312	1.3
185.13290	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	185.1173
Annotation	trans-(-)-2-Acetyl-1-isopropylcyclopropaneacetic acid
Peak:m/z	Relative Intensity
53.03940	3.2
55.05505	6.7
56.96556	2.0
57.07080	2.0
59.05000	3.0
61.02928	1.9
63.07855	1.7
65.03927	1.7
67.05506	23.5
69.03432	80.5
69.07059	7.1
70.75593	4.5
71.04986	5.5
79.05486	7.4
81.07046	10.3
83.04987	5.9
83.08617	2.4
84.08138	14.8
85.02902	3.2
85.06531	8.3
87.38742	1.5
90.58848	1.8
91.05518	2.7
93.07050	11.2
95.01352	2.3
95.08612	14.3
97.02897	3.5
97.06538	5.5
98.97601	2.5
99.04449	2.0
101.00880	3.3
101.05973	2.0
102.96881	4.1
105.07034	4.0
107.08607	11.1
108.84949	1.6
109.06552	3.2
109.10160	13.6
111.04432	4.0
111.08032	3.0
119.01897	2.1
120.97892	2.7
121.06555	2.1
121.10144	9.9
123.08105	3.9
124.07602	3.7
125.06005	8.5
125.07944	9.8
125.09636	100.0
126.01057	2.4
126.12807	10.0
128.06236	2.5
128.40060	1.7
129.07018	3.5
137.09549	2.6
139.09462	4.4
139.11186	7.5
142.07755	2.4
143.01909	9.2
143.08594	1.8
144.40961	1.8
149.09650	3.8
149.13298	3.9
153.05476	2.2
157.10112	4.0
158.99724	1.8
161.02965	8.6
165.07628	3.3
167.10637	8.3
170.10899	6.0
174.08205	1.6
180.42926	1.7
185.04701	3.4
185.09805	5.0
185.11723	4.3
185.13269	4.1
186.14952	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	183.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	1.3
55.05514	11.6
57.03429	2.4
57.07081	2.3
58.69988	0.6
65.03967	0.7
67.05505	12.1
69.03426	1.3
69.07068	8.4
70.79675	2.0
71.04994	100.0
71.08633	1.0
73.06550	4.1
79.05485	0.9
81.07056	11.2
83.08626	4.0
85.06549	1.8
95.04952	3.5
95.08611	16.7
97.10188	3.7
98.98512	1.9
99.08102	6.1
100.97199	1.6
101.95046	1.1
105.03425	1.5
109.06559	0.7
109.10155	18.8
111.11739	2.0
113.09679	0.8
118.98264	0.9
118.99049	0.9
123.04456	3.1
123.11725	5.1
128.40198	0.7
142.03418	0.8
160.04645	0.7
165.16396	4.5
168.09431	0.9
174.00403	0.7
183.11790	0.8
183.17445	3.3
196.65456	0.7
203.38191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1745
Annotation	Codlemone
Peak:m/z	Relative Intensity
53.00306	1.0
53.03934	0.8
53.09821	0.6
55.05515	10.8
57.03444	3.0
57.07080	2.7
58.14505	0.6
63.28882	0.6
67.05509	12.3
69.03441	1.6
69.07076	10.0
71.04995	100.0
72.05341	0.6
72.50329	0.6
72.66230	0.6
73.06558	3.7
79.05511	0.7
81.07060	10.5
83.05021	0.8
83.08635	2.2
85.06555	1.4
93.07047	1.0
95.04958	3.3
95.08611	16.9
97.10166	4.3
98.21511	1.4
98.98491	1.4
99.08096	6.9
100.98042	0.7
101.95043	1.5
105.03386	1.4
109.10159	17.3
111.11732	2.8
113.09645	1.0
123.04451	3.0
123.08028	0.6
123.11692	5.6
139.07675	0.8
155.07016	0.6
161.17528	0.5
165.16396	5.8
168.09377	1.4
183.06433	0.7
183.11768	1.6
183.17441	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	183.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
54.11917	0.6
55.05511	11.5
57.03437	1.8
57.07078	2.2
57.50511	0.6
63.12988	0.6
67.05505	12.9
69.03432	1.1
69.07070	9.3
70.84551	1.3
71.04994	100.0
71.08620	0.6
72.35184	0.5
73.06564	3.5
73.64045	0.6
79.05507	0.8
81.07057	11.4
82.16390	0.5
83.04955	0.7
83.08622	1.9
85.06557	1.5
93.07049	0.9
95.04974	3.1
95.08607	16.5
97.10169	3.5
98.98476	1.7
99.08102	5.9
100.97232	1.0
101.95048	1.0
105.03423	0.9
109.10161	16.8
111.11741	1.9
113.09649	1.0
123.04444	2.8
123.11721	5.6
163.55338	0.6
165.16411	6.0
183.11760	0.7
183.17390	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	183.1745
Annotation	Codlemone
Peak:m/z	Relative Intensity
53.03934	4.3
55.01877	2.5
55.05256	1.4
55.05514	31.4
57.03428	2.8
57.07077	32.5
59.04976	1.1
65.03925	2.7
67.05508	72.7
69.03427	8.0
69.07071	17.1
69.36840	9.1
71.04996	66.1
71.08627	7.5
71.62380	1.0
77.03933	1.4
78.85883	1.0
79.05493	10.8
81.03424	1.5
81.07058	74.1
83.04959	2.8
83.08621	25.0
83.14214	0.8
85.02907	2.4
85.06544	22.6
85.10197	1.9
91.05486	3.4
93.07056	6.5
95.04968	16.9
95.08609	100.0
97.06522	1.9
97.10175	9.1
98.97567	2.0
98.98454	6.1
99.04459	26.0
99.08079	6.3
100.97193	1.9
101.94999	1.2
105.03380	7.9
105.04478	1.1
105.07009	3.2
107.04970	2.1
107.08607	8.4
109.06505	1.9
109.10161	58.7
111.08060	1.4
113.05959	1.7
113.09668	2.6
117.07033	1.1
119.01867	1.6
119.08559	2.1
121.10128	3.5
122.03600	1.0
123.04437	13.8
123.08053	3.1
123.11709	22.0
124.05197	3.5
124.07610	1.4
125.06029	1.5
125.09637	2.9
127.01569	1.1
127.07545	2.3
127.11185	3.1
137.02332	11.2
137.05954	1.9
137.09610	4.6
137.13268	3.1
139.07579	1.6
139.11250	1.2
140.04672	5.1
141.06979	1.1
141.12732	2.0
147.11679	3.1
151.03925	2.9
155.04753	1.3
155.07048	2.2
155.08502	2.4
165.01852	12.9
165.09097	3.0
165.12750	6.1
165.16397	3.1
176.45306	1.1
183.02924	13.6
183.04442	2.5
183.06584	1.9
183.07919	2.0
183.09088	1.8
183.10321	1.2
183.11694	3.0
183.13795	5.4
183.17438	20.6
184.29375	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.138
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
52.69281	1.0
53.03938	4.8
55.01857	2.4
55.05258	1.6
55.05511	19.9
57.03421	4.0
57.07078	17.1
59.97535	1.1
65.03935	2.7
67.05505	52.7
67.05866	2.6
69.03421	7.5
69.06771	1.2
69.07070	14.6
69.43571	10.5
71.04991	32.3
71.08614	1.9
73.13673	1.1
75.39210	1.1
79.05491	23.6
81.03421	1.6
81.07056	100.0
81.99328	1.0
83.04966	5.0
83.08627	18.6
85.02898	1.9
85.06540	13.6
85.10172	1.6
87.04415	1.3
87.28025	1.1
91.05486	5.8
93.07031	8.2
95.04433	1.6
95.04976	16.8
95.08607	74.2
97.06516	3.9
97.10159	5.2
98.14317	1.1
98.98454	4.4
99.04449	24.2
99.08078	4.6
101.11547	1.4
105.03389	5.8
105.07033	12.0
107.04922	1.9
107.08591	47.8
109.02904	1.4
109.06517	26.1
109.10153	41.1
113.06028	1.6
113.09650	2.6
119.08602	6.9
121.10122	5.1
123.04430	12.6
123.08068	55.2
123.11694	16.9
124.05245	1.5
124.12033	1.2
125.09624	1.9
127.07559	23.8
127.11208	2.0
137.02351	3.8
137.05943	1.7
137.07903	3.0
137.09586	3.2
137.13184	2.2
139.07568	3.0
140.04671	3.6
147.11684	34.8
155.07077	2.0
165.01846	7.2
165.09074	3.5
165.12761	82.5
175.23523	1.3
183.02869	4.2
183.06523	2.2
183.09148	1.8
183.10320	1.6
183.11650	2.6
183.13768	4.7
183.15939	2.1
183.17363	9.3
189.68301	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1381
Annotation	Decahydro-2-naphthoic acid
Peak:m/z	Relative Intensity
50.11238	1.3
53.03934	4.1
55.01866	2.5
55.05513	19.9
57.03428	3.6
57.07078	17.0
65.03944	3.9
67.05505	48.9
69.03428	9.7
69.07072	13.2
69.87812	6.7
71.04992	30.2
71.08625	3.1
75.09345	1.4
79.05495	26.3
81.03403	2.8
81.07058	100.0
83.04986	3.2
83.08614	14.3
85.02895	1.8
85.06539	12.2
91.05486	7.6
93.07066	7.8
95.04979	20.9
95.08608	64.3
97.06517	5.2
97.10172	3.7
98.98469	5.8
99.04459	23.2
99.08087	4.2
105.03413	7.1
105.04501	2.7
105.07037	13.6
107.08598	52.1
107.31960	1.4
109.02853	2.1
109.06526	30.0
109.10156	35.3
111.08073	1.7
113.06012	4.0
113.09656	3.6
119.08582	8.2
121.10130	5.5
123.04442	16.6
123.08075	63.0
123.11716	18.3
124.05174	2.0
125.05978	1.7
125.09652	3.5
127.07561	27.1
127.11192	1.6
137.02325	5.6
137.05940	2.7
137.07918	4.0
137.09596	6.2
137.13228	2.0
139.07561	1.6
140.04688	5.2
140.10716	2.9
141.12788	1.7
147.11685	40.9
153.30846	1.3
155.07019	3.1
155.08632	2.2
163.73782	1.2
165.01828	5.6
165.07512	3.3
165.09097	5.8
165.12762	92.2
166.13239	1.5
183.02888	4.8
183.04486	1.2
183.06584	3.1
183.10353	1.8
183.11630	2.3
183.13887	7.3
183.17390	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	183.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.1
55.01868	3.9
55.05499	5.3
57.03430	4.2
57.04552	4.2
61.02922	4.6
63.64650	2.6
67.05491	8.5
69.03432	37.5
69.07076	2.9
71.04984	4.1
79.05447	3.4
80.63268	2.4
81.07043	3.8
83.02016	4.6
83.02465	49.5
83.04976	11.9
85.02900	12.1
87.04475	3.2
95.04980	31.5
95.08619	6.3
98.98460	22.6
99.04447	7.4
101.02859	5.1
101.03510	100.0
105.03403	17.2
109.06444	4.6
109.10162	3.3
111.04440	6.5
123.04433	23.4
124.05129	3.4
124.08770	3.3
125.05978	4.7
127.01582	3.6
129.05429	2.9
140.04669	6.9
141.05377	4.4
155.06992	4.7
168.09361	4.6
183.02966	3.5
183.06477	6.9
183.09583	8.7
183.11720	8.4
183.18474	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	183.0865
Annotation	Dulcitol
Peak:m/z	Relative Intensity
53.03941	4.6
54.22330	3.1
55.01868	9.8
55.05493	11.7
56.96551	5.8
57.03444	23.3
57.22625	3.6
60.08157	4.2
61.02927	17.4
61.88740	3.0
68.21126	3.2
69.03072	5.8
69.03434	100.0
69.74396	3.5
70.04257	12.6
71.04990	7.4
71.07403	3.3
73.02924	25.2
81.03400	7.5
83.04980	22.7
85.02917	31.8
86.09712	25.0
87.04449	9.5
94.60043	3.3
95.04955	5.6
97.02879	11.9
97.72769	3.3
98.21449	4.4
98.97572	7.9
99.04447	17.9
100.02625	5.1
101.00891	27.5
102.02398	6.2
103.03915	5.9
104.10732	5.7
107.76800	3.8
111.02917	6.7
111.04457	7.6
112.29990	3.2
113.00863	7.5
116.98634	3.8
119.01925	36.2
123.02930	4.4
123.04448	4.2
124.99976	16.3
127.03962	3.3
128.02312	3.1
129.05443	5.7
131.01888	10.4
132.03497	4.4
137.02324	5.0
137.07909	7.6
138.03386	5.6
142.03531	9.1
143.01895	10.1
145.03452	8.7
147.06520	4.9
155.01909	11.1
157.03450	9.3
160.04663	5.4
161.02936	11.5
167.01807	4.3
173.02997	5.9
183.12102	7.4
184.07408	22.6
185.02971	7.9
203.04025	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	183.0653
Annotation	Methyl isovanillate
Peak:m/z	Relative Intensity
51.02378	1.1
53.03951	16.2
54.17781	0.4
55.01875	4.0
55.05505	1.3
57.03442	0.9
65.03943	5.7
67.05508	10.8
69.03438	2.8
69.07068	0.9
71.04989	1.2
71.40276	0.8
77.03932	3.1
79.05505	1.4
81.03431	2.3
81.07060	2.8
83.04985	1.1
85.02924	0.6
91.05486	1.5
93.03423	0.8
93.07047	2.8
95.04971	100.0
95.08613	6.0
96.05312	0.9
97.02894	0.6
97.06537	1.3
98.98485	1.8
99.04459	2.2
103.05459	0.6
105.03423	3.3
105.04523	8.0
105.07039	1.7
107.08603	1.1
109.06516	1.6
109.10126	2.6
110.03648	0.8
111.04443	2.0
111.08070	0.7
113.02403	0.6
119.08573	3.6
121.10136	0.8
123.04433	79.5
123.08027	3.2
125.02351	5.4
125.09622	0.9
127.07575	0.7
137.02367	1.5
137.05957	1.2
137.09654	4.3
139.07536	1.9
139.11368	0.5
140.04689	32.8
140.25305	0.5
147.08069	0.7
155.07039	19.3
165.01872	1.8
165.09128	2.3
165.12798	0.6
183.02908	2.0
183.06520	4.8
183.08011	0.8
183.10222	2.1
183.11639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0653
Annotation	Jasminanhydride
Peak:m/z	Relative Intensity
51.02386	1.0
52.49783	0.5
53.03948	14.5
55.01875	5.5
55.05499	2.6
56.96554	0.7
57.03437	1.4
57.07088	0.6
59.05008	0.5
65.03943	5.8
67.05505	14.6
69.03432	6.3
69.07072	1.2
70.06583	0.5
71.04993	4.8
71.21344	0.8
77.03912	2.8
79.05486	3.0
79.43070	0.5
80.02628	0.5
81.03419	3.5
81.07063	4.3
83.04982	2.4
85.02912	2.0
85.06535	1.3
87.04494	0.6
91.05495	4.9
93.03479	0.5
93.07048	5.9
95.04968	100.0
95.08607	10.0
96.05306	0.9
97.02866	1.4
97.06549	2.3
98.97611	0.5
98.97874	0.6
98.98456	4.3
99.04459	15.7
101.06081	0.6
101.95047	0.5
105.03416	4.9
105.04510	7.8
105.07041	2.4
107.05001	0.9
107.08591	1.8
108.02107	0.7
109.02859	0.8
109.06544	2.6
109.10152	4.5
111.04454	2.0
111.08086	1.2
113.06020	0.7
116.82821	0.5
117.06938	0.7
119.08586	7.0
121.04043	0.9
121.06477	0.8
121.08855	0.7
121.10133	1.2
123.04430	82.7
123.08046	7.9
123.11694	0.6
124.07600	0.9
125.02356	5.0
125.06005	1.0
125.09655	1.7
127.03927	1.1
127.07584	2.3
127.20170	0.4
133.02870	0.7
137.02356	1.8
137.05968	1.9
137.07953	0.9
137.09605	7.7
137.13269	0.7
139.07516	2.8
140.04678	33.8
141.05421	0.6
147.06621	0.6
147.08038	1.9
147.11751	0.8
155.07043	21.2
155.10651	1.2
165.01926	1.9
165.05443	0.9
165.07074	0.7
165.07826	0.6
165.09120	4.5
165.12759	2.1
166.12170	0.6
183.03023	2.4
183.05016	0.9
183.06532	5.8
183.08226	1.9
183.10214	5.6
183.11710	1.0
183.13788	1.2
184.13365	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.154
Annotation	(+)-Myrioxazine B
Peak:m/z	Relative Intensity
55.05521	8.1
56.96556	2.0
57.03446	1.7
57.07069	4.4
58.02965	30.9
62.92049	1.0
67.05511	21.6
69.07073	63.4
70.06583	2.4
70.95254	1.8
70.95554	1.2
74.06084	2.0
79.05492	6.3
81.07063	20.8
83.04984	1.6
83.08644	6.5
83.09034	1.1
83.29919	1.0
84.08146	8.3
86.06071	1.4
91.05476	4.2
93.07056	11.2
95.04971	1.6
95.08606	5.8
97.06526	4.4
98.06052	2.0
98.09689	2.3
98.97588	11.0
99.97944	4.9
100.07627	7.0
103.50109	1.2
105.07033	16.4
107.08604	16.5
109.06516	3.3
109.10163	46.0
114.09168	17.4
116.98644	2.8
117.98949	2.8
121.10108	2.1
123.11695	6.9
124.11259	1.1
126.09173	13.5
133.09212	2.2
133.10136	25.4
135.11708	16.1
138.12799	22.0
147.11685	4.9
151.11183	11.8
153.12720	14.7
164.14355	2.4
165.12773	3.4
182.15421	100.0
183.15744	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0814
Annotation	Tyrosine
Peak:m/z	Relative Intensity
52.41454	0.4
53.03948	0.7
53.56755	0.3
55.01879	0.4
55.05515	1.1
56.96568	3.5
57.03442	1.1
61.02929	0.5
67.05495	0.5
68.01405	0.5
69.03434	2.0
69.60326	2.4
69.60720	0.7
71.04990	0.8
73.02930	1.1
79.05508	0.7
81.03429	1.0
81.07051	0.7
82.06523	0.4
83.04996	0.4
85.02908	1.5
91.05487	22.2
94.04063	1.4
94.06575	0.8
95.04972	9.9
97.02887	2.2
98.03117	0.8
98.97594	4.1
99.01153	0.4
100.02486	0.7
101.00894	0.6
103.05476	1.0
105.04529	0.4
107.04960	1.1
108.04484	0.6
108.08128	4.6
109.02901	0.8
109.06528	0.7
110.97591	0.5
112.99167	0.6
113.00818	0.7
115.00685	0.6
115.02432	0.7
116.98623	1.2
117.02092	0.4
117.03943	0.6
118.06565	1.4
119.01874	1.3
119.04955	25.6
121.01620	0.4
121.05125	2.4
121.06498	1.2
122.06016	0.4
122.09647	1.1
123.04439	32.3
126.09169	0.9
127.03893	0.4
128.02367	0.4
129.02245	1.0
131.01904	1.2
133.03462	0.8
136.07585	100.0
136.11189	7.0
137.04593	1.8
137.05959	0.4
137.07928	1.4
145.01660	0.3
147.03099	2.4
147.04416	8.6
154.03503	0.8
154.04935	0.3
154.08617	0.9
154.12247	1.0
158.99667	1.3
159.01387	0.4
159.03281	0.5
159.05017	1.1
161.04611	0.6
164.05701	36.8
164.07054	4.0
165.05479	14.8
170.05179	1.7
177.00708	0.7
177.02269	0.4
177.04364	0.7
177.06004	0.6
182.02759	0.9
182.04570	1.1
182.06703	7.4
182.08139	18.5
182.11771	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
53.03943	3.5
55.01870	0.9
55.05509	5.3
56.05022	0.7
56.09812	0.8
56.96590	1.5
57.03433	1.1
58.02959	2.6
58.06631	1.0
59.50077	0.7
65.03947	5.0
65.04250	1.0
67.05505	20.1
68.05027	1.3
68.06292	1.0
69.00150	0.8
69.03423	1.8
69.07069	5.5
70.02958	2.2
70.07337	0.7
71.10130	1.7
78.17076	0.8
79.05491	37.1
80.05023	3.2
81.03426	0.7
81.07056	42.0
82.02940	2.2
82.06565	1.2
82.07404	0.9
83.04997	0.9
83.08624	3.3
83.46423	0.7
84.08148	1.9
85.02927	0.8
85.06578	0.7
86.02419	5.4
86.22602	0.6
91.05464	6.1
92.05013	1.7
93.05790	8.3
94.06571	2.6
94.07353	0.8
95.04964	7.9
95.08585	1.5
96.04485	2.2
96.05810	0.9
96.08109	1.4
97.05256	1.4
97.06530	8.5
98.06051	4.7
98.09690	2.6
98.97598	4.8
98.98508	0.9
99.04464	0.6
99.97905	1.7
103.49261	0.7
105.03385	0.8
105.07022	1.5
106.06541	2.4
106.07364	0.7
107.07349	4.4
108.04456	2.2
108.08117	64.1
109.06534	8.3
110.06053	5.9
110.06711	1.1
116.98636	2.9
117.05746	1.2
117.98988	1.2
118.06536	2.9
119.04973	1.2
120.04491	2.1
121.05228	3.7
121.10170	0.8
122.06020	4.5
123.04453	1.9
123.07993	1.0
124.05157	1.4
124.07585	2.5
125.05995	30.9
126.05514	33.1
126.09158	21.1
126.10086	1.1
133.06528	1.0
134.06036	1.4
134.99695	1.0
136.07578	100.0
137.05986	6.0
137.07980	1.7
137.09605	0.9
138.05482	2.7
139.05110	1.0
140.07056	1.4
141.05411	0.8
146.03221	0.7
152.07039	1.3
153.05457	1.7
153.07826	3.0
154.07338	1.2
154.08629	28.8
164.07068	83.7
171.55505	1.7
180.55991	1.1
182.08128	88.4
186.55655	0.7
195.10008	0.7
197.96602	0.7
202.14688	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	52.5
56.96566	31.1
60.72543	3.0
65.30798	4.0
69.03426	13.8
69.47637	22.0
69.48062	9.9
77.04014	4.0
81.07040	7.5
83.04995	4.4
83.08622	23.2
84.95992	4.2
95.04971	4.6
98.20752	5.8
98.97591	100.0
108.08147	4.4
109.02935	3.8
110.01315	4.9
116.98630	35.7
119.01821	10.2
122.06025	7.3
122.09613	4.2
123.04474	7.1
128.02327	18.6
133.01756	3.8
134.99721	6.5
136.07574	28.8
136.11234	4.5
140.10710	4.6
152.73758	4.0
158.99696	44.1
164.07069	9.4
164.98636	15.9
177.00719	32.0
182.08159	23.8
182.11784	12.2
182.15433	7.0
182.99655	52.8
201.00731	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.21268	0.7
53.03930	1.4
55.01855	1.7
55.05510	2.9
56.96569	8.7
57.03420	0.7
57.07043	1.3
59.04995	1.0
65.03931	2.3
67.05505	4.9
69.03441	4.1
69.03741	0.8
69.07085	4.1
69.46551	0.6
69.53408	5.6
71.04985	2.2
71.95267	2.7
79.05498	9.8
81.03430	0.7
81.07057	5.6
82.04196	0.8
83.04984	4.4
83.08626	4.0
85.02901	1.3
85.06544	0.9
87.03415	0.7
91.05471	5.0
93.07045	11.6
95.04988	4.0
95.08597	6.3
97.02900	2.7
97.06528	10.0
98.97586	100.0
103.05487	1.7
105.04523	1.1
105.07050	7.4
107.04966	3.1
107.08591	8.5
108.08147	0.7
109.06511	1.6
109.10151	3.7
109.66148	0.7
111.04473	3.5
111.08083	2.5
116.98625	52.8
117.03371	0.9
119.08592	2.4
121.06505	4.6
121.10152	31.8
122.06020	0.7
123.08072	31.4
125.06001	2.6
130.07782	1.1
134.99667	16.7
135.04414	2.5
135.08057	1.6
135.11694	6.8
136.07585	9.8
137.05997	2.4
137.09639	3.2
139.07584	1.6
139.11188	1.9
140.00200	3.3
145.10138	7.3
153.00760	1.6
153.12758	1.0
158.01266	2.1
163.03891	4.8
163.11194	8.8
164.07088	5.5
181.01361	1.8
181.04918	3.8
181.08621	1.9
181.12260	11.4
195.59793	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03942	4.0
55.01874	2.3
55.05519	6.2
55.05735	1.0
56.96568	10.1
57.03429	2.9
57.06857	1.1
57.07080	11.4
59.05002	2.6
60.56415	0.8
65.03931	4.1
67.05499	3.6
69.03409	1.9
69.07059	4.5
71.04986	1.3
71.95266	2.4
72.74666	0.9
74.52925	0.9
77.03931	2.0
79.05504	13.7
81.03416	4.3
81.07063	9.9
82.04189	0.9
83.04989	27.6
83.08627	1.6
85.02889	2.0
89.03909	6.1
91.05489	14.1
93.03405	2.9
93.07048	22.5
95.04970	16.8
95.08617	3.0
97.02907	1.1
97.06540	15.7
98.97588	100.0
99.04420	1.4
103.05486	6.1
105.04509	1.5
105.07020	7.3
106.04182	3.7
107.04960	5.9
107.08593	13.1
109.06522	3.8
109.10157	1.7
111.04459	1.8
111.08084	1.8
116.98628	57.7
117.03371	8.4
117.07007	3.1
119.04939	1.7
119.08560	5.9
121.06505	17.7
121.10144	20.9
123.08039	3.1
125.05998	33.8
125.09641	1.0
127.07555	1.6
130.07767	2.1
134.03627	1.1
134.99657	20.2
135.04431	14.6
135.08044	4.7
135.11691	10.3
136.07596	5.4
137.05971	2.2
138.06772	1.3
139.07520	1.4
140.00182	3.4
145.02866	8.5
145.10123	11.5
148.05159	1.3
149.05992	10.5
153.00731	1.4
153.09088	2.6
158.01247	2.3
163.03911	34.4
163.07518	1.6
163.11192	56.6
164.04253	1.2
164.07097	2.8
166.06203	1.2
181.04967	6.7
181.06383	1.1
181.07170	1.3
181.08653	8.2
181.10698	2.2
181.12231	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	181.1223
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03943	1.9
53.60132	0.9
55.01867	3.5
55.05502	3.5
56.96571	10.6
57.03435	1.4
57.07080	2.6
59.04994	2.7
65.03941	2.3
67.05507	6.8
69.03434	14.9
69.07065	9.2
71.04988	1.8
71.09483	2.0
71.95254	2.0
77.03927	1.3
79.05496	14.2
81.03416	1.4
81.07063	6.6
83.04972	6.7
87.71758	1.0
91.04932	1.8
91.05480	18.1
91.06035	0.6
93.03405	1.7
93.07047	33.7
95.04993	7.6
95.08611	6.3
97.02905	1.8
97.06534	18.2
98.97585	100.0
103.05476	6.2
105.04539	1.7
105.07027	14.0
107.04974	6.2
107.08594	26.9
109.06521	4.0
109.10142	4.9
110.03718	1.1
111.08069	4.4
115.05479	1.0
116.98626	55.1
117.07005	7.1
119.04948	1.3
119.08595	8.2
121.06521	15.2
121.10142	37.0
122.07274	3.8
123.08089	5.7
125.05976	3.3
130.07779	5.9
134.98744	1.6
134.99670	17.6
135.04428	1.9
135.08075	4.6
135.11696	31.1
137.05962	4.7
137.09607	13.2
139.07520	5.4
139.11183	3.8
140.00177	2.3
143.08617	1.3
143.87631	1.0
145.02820	1.6
145.10124	36.6
146.10460	1.2
148.08875	0.9
149.06001	5.2
153.00688	2.1
153.09132	1.6
158.01231	2.9
163.03888	4.2
163.07544	1.5
163.11185	39.7
181.04962	4.1
181.08698	4.9
181.12228	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	181.1224
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
53.03935	3.8
53.82304	0.9
55.01858	1.8
55.05500	4.7
56.96565	8.4
57.03429	2.7
61.32199	0.8
61.45660	0.9
65.03925	2.2
67.05508	6.4
69.03408	2.6
69.07068	4.5
70.84667	2.2
71.01326	1.5
71.04997	5.3
71.95257	3.3
77.03897	1.2
79.05055	1.6
79.05494	23.2
81.07053	17.4
83.04962	3.1
83.08629	1.0
91.05482	10.2
93.07046	28.3
95.04975	5.9
95.08610	13.2
97.06525	10.2
98.97585	100.0
103.05438	3.4
105.04485	1.4
105.07030	17.6
106.04169	1.6
107.04942	2.9
107.08589	15.6
107.13599	0.9
109.06499	3.3
109.10159	10.1
111.04443	2.6
111.08069	3.0
116.98625	44.7
117.03384	1.6
117.07017	3.9
119.08578	4.0
121.06497	17.9
121.10144	27.2
123.08070	10.4
125.05992	2.6
125.09609	1.0
130.07779	2.0
134.99655	13.3
135.08034	2.7
135.11682	10.2
137.85840	1.0
139.07503	7.2
139.11157	6.5
140.00154	2.9
143.08624	1.5
145.02817	1.2
145.10127	24.6
149.05957	3.7
153.09114	1.1
153.12744	1.8
158.01305	2.2
163.03906	2.6
163.11179	32.0
163.14877	1.3
166.06078	1.2
181.05040	5.7
181.08624	2.6
181.12225	46.8
196.46700	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05518	2.8
55.35703	1.3
56.96560	3.3
57.07076	21.7
59.04999	1.4
67.05523	1.4
67.44951	1.3
69.03418	1.7
69.07072	4.1
78.38536	1.2
79.05490	8.3
81.03410	6.5
81.07050	6.0
83.04986	47.9
91.05496	2.2
93.07071	7.1
95.04984	14.2
97.06538	28.0
98.97591	59.4
99.05575	4.0
105.07051	5.4
107.08598	12.4
116.98632	29.5
117.07032	4.0
119.08566	2.3
120.92867	1.2
121.06530	3.3
121.10136	10.6
125.06001	62.6
134.99677	9.7
135.11696	7.6
140.00235	2.3
143.08452	1.7
145.10112	9.2
163.11195	100.0
164.11523	1.5
166.07739	1.4
181.10773	1.4
181.12233	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0497
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03946	0.5
55.01894	0.5
55.05500	0.9
56.96569	5.6
57.03428	0.5
61.02927	0.4
63.02379	0.6
65.03935	1.3
67.05497	1.4
69.03427	1.1
69.07064	0.9
70.55367	0.7
71.04994	0.4
71.95274	0.7
73.02875	0.5
77.03918	0.4
79.05492	3.7
81.01052	0.4
81.03428	0.4
81.07056	0.5
82.04229	0.4
83.04984	0.7
83.08625	0.5
85.02908	0.9
89.03920	18.5
90.01555	1.0
91.05489	2.7
93.03434	0.7
93.07040	1.2
95.04977	2.3
95.08602	0.5
97.02374	0.3
97.02882	1.8
97.06562	0.5
98.97588	39.8
99.02026	0.3
103.05490	0.5
105.07034	0.5
107.04961	7.0
107.08598	1.0
108.01495	0.4
109.02915	0.3
109.04144	0.3
110.03661	0.5
110.70573	0.3
110.97549	0.3
111.02065	0.5
111.04436	1.3
116.98627	23.6
117.03384	21.3
117.07040	0.6
118.03847	0.4
118.04676	1.6
119.04942	0.6
121.02894	0.5
121.06506	1.0
121.10116	0.8
125.05969	0.8
128.02364	0.3
128.98640	0.5
130.04668	0.6
134.99670	8.6
135.04422	38.1
135.08064	0.8
135.11688	0.3
136.04744	0.4
137.05954	0.8
139.03923	1.0
139.05171	0.8
139.07538	0.3
140.00208	1.2
143.03802	0.5
145.02855	23.5
146.03268	0.5
149.02339	0.5
149.05998	0.4
153.00708	0.6
153.09160	0.4
158.01256	0.9
158.99657	0.8
161.04819	0.4
163.03909	100.0
164.04289	1.5
164.07043	0.4
173.04968	0.4
178.96742	0.3
181.01323	0.6
181.04982	3.8
181.06371	0.5
181.08516	1.4
181.12236	0.8
182.08235	0.4
190.06676	0.3
199.06438	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0495
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
50.86197	1.0
52.52731	1.1
53.03938	5.1
55.01866	5.5
55.05511	7.0
56.96562	13.0
57.03431	4.4
57.07074	2.5
65.03941	10.3
65.09295	1.0
67.05502	11.2
69.03432	9.1
69.07069	5.9
71.04990	4.8
71.60482	1.1
71.95272	3.0
79.05497	17.7
81.03393	1.8
81.07062	12.3
82.04192	1.7
83.04979	6.1
83.08620	1.7
83.61940	1.0
85.02883	3.6
87.87418	1.0
89.03918	2.8
91.05480	19.8
92.02583	1.1
93.03400	2.7
93.07050	30.2
95.04967	14.3
95.08610	9.1
97.02918	2.6
97.06535	12.0
97.10199	1.4
98.97585	100.0
99.04460	1.8
99.08092	1.1
103.05472	8.2
103.19749	1.0
105.04516	2.1
105.07052	11.3
107.04959	8.6
107.08588	19.7
109.06525	6.3
109.10156	2.9
110.03652	3.3
111.04445	3.9
111.08067	4.3
115.05482	1.3
116.98622	84.7
117.03387	3.0
117.07009	3.3
119.04908	2.3
119.08553	6.5
121.02861	11.7
121.03900	2.1
121.06509	20.6
121.09287	2.4
121.10146	36.6
122.03676	1.1
123.08067	8.6
123.09160	2.5
123.11694	1.9
125.02362	1.3
125.05993	7.0
133.02835	7.2
134.99660	42.8
135.04419	13.5
135.08047	10.6
135.11668	13.2
136.07602	2.0
137.05983	8.9
137.09592	3.8
139.03906	2.3
139.07542	2.8
139.11194	2.4
140.00182	3.8
142.02617	1.3
145.02844	3.7
145.10123	14.9
149.02347	78.9
149.06007	9.9
150.02687	1.6
151.03862	1.3
153.00694	3.1
153.05423	2.7
153.09142	2.7
153.12703	1.3
158.01257	5.0
163.03911	63.6
163.07550	4.4
163.11183	23.1
164.04254	1.3
171.06538	1.7
181.01355	2.6
181.04961	22.3
181.06412	1.8
181.08601	12.8
181.10188	1.7
181.10599	1.7
181.12192	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03946	2.2
55.01872	2.9
55.05506	8.4
57.03435	9.7
57.07076	1.8
65.03938	2.1
66.49422	0.7
66.91512	0.7
67.05504	40.1
69.03434	2.9
69.07071	10.5
70.86471	1.9
71.05002	5.0
79.05107	0.5
79.05492	26.6
81.07056	99.2
83.04971	7.5
83.08631	4.1
85.06539	9.3
91.05481	32.5
93.07043	41.2
95.04966	4.6
95.08606	77.5
97.06528	18.2
99.08099	9.7
105.07035	41.9
107.08591	22.8
109.06504	6.7
109.10151	7.9
111.08074	6.2
113.09649	1.0
117.07026	3.0
119.04948	1.5
119.08578	58.9
121.06516	1.1
121.10138	17.5
123.08066	10.2
123.11711	2.0
131.08574	1.3
132.94415	0.8
133.10130	40.9
135.11696	36.3
135.12509	0.8
136.12071	0.9
137.05911	0.9
137.09607	4.4
137.13242	2.3
147.04449	2.5
151.11185	1.5
151.14871	1.2
153.04057	0.9
159.11755	0.8
161.13255	96.6
162.13646	1.2
179.03441	1.1
179.07018	1.0
179.14308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1068
Annotation	4-t-Butylbenzoic acid
Peak:m/z	Relative Intensity
50.85693	0.8
53.03947	1.2
55.01879	6.2
55.05511	6.4
56.96545	1.0
57.03425	1.4
59.04992	2.3
65.03928	2.7
67.05508	9.2
67.87906	0.8
68.99780	0.9
69.03456	4.1
69.03768	1.0
69.06772	1.0
69.07076	11.5
71.04985	2.3
71.61433	1.2
73.02873	1.4
79.05496	13.1
81.03416	1.2
81.07059	15.2
83.04980	4.6
83.08608	2.4
85.02885	1.5
85.06550	0.9
91.05482	39.5
92.05789	0.9
93.07051	17.7
95.04966	9.6
95.08614	18.1
97.02927	0.9
97.06521	1.9
98.97569	1.5
103.05494	1.7
104.06306	0.8
105.03426	1.3
105.07035	68.3
107.08598	21.5
108.05777	0.8
109.02898	1.1
109.06517	8.2
109.10173	8.5
111.04413	1.0
111.08060	1.1
111.11726	2.5
115.05442	1.9
117.07022	3.5
118.07791	1.4
119.04948	17.7
119.08590	30.3
120.08087	0.8
121.06494	4.4
121.10154	10.4
123.04432	12.5
123.08063	9.0
123.11711	2.7
125.05956	0.8
128.06236	3.1
131.04912	1.0
131.08571	7.7
132.05681	2.0
133.02815	0.9
133.06497	6.8
133.10135	100.0
134.10431	1.2
135.08067	2.4
135.11667	4.8
136.05200	1.9
137.05991	13.4
137.09630	8.3
143.08580	5.6
146.03674	1.3
146.07256	2.5
147.04422	20.0
149.09598	1.8
151.03903	3.1
151.07553	10.5
151.11198	5.4
151.14832	1.8
161.06010	9.8
161.09625	28.6
161.13268	9.8
163.02718	0.9
164.04739	1.1
179.03499	8.2
179.05644	1.1
179.07127	20.9
179.10678	62.9
179.14287	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	179.1066
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
50.10111	2.4
53.03933	7.9
55.01858	8.5
55.05517	14.6
56.96588	2.7
57.03432	5.0
59.04995	2.2
65.03925	7.4
67.05219	2.4
67.05509	29.3
68.99782	6.8
69.03121	3.0
69.03432	35.3
69.07078	5.8
71.01343	2.9
71.04978	6.9
72.33083	2.1
73.02943	2.4
77.05172	2.2
79.05492	34.4
80.59780	2.3
81.03410	6.5
81.06583	2.4
81.07059	45.1
83.04976	11.9
85.02888	4.6
91.05482	100.0
93.06457	4.7
93.07048	92.3
94.97846	2.2
95.04970	33.6
95.08613	23.1
97.06529	4.6
101.03233	2.3
103.05471	7.3
105.03406	4.8
105.07029	94.1
106.16579	2.4
107.04941	5.5
107.07935	4.2
107.08600	40.7
109.06519	51.9
109.10144	26.6
111.04430	7.1
115.05489	4.7
117.07001	19.5
118.04184	2.1
119.04957	24.1
119.08590	48.4
120.05655	2.8
120.08092	10.0
121.06511	75.7
123.04446	27.7
123.08072	18.5
123.11691	11.8
125.06017	3.0
125.17623	2.3
128.06216	10.5
130.58325	2.5
131.08563	9.1
133.02849	17.3
133.06485	21.3
133.10130	93.2
135.08043	20.4
135.11746	2.7
137.05972	13.6
137.09630	42.9
143.08563	14.1
146.07236	10.0
147.04430	48.4
151.03914	15.0
151.07541	6.5
151.11165	23.7
152.07016	2.6
152.83414	2.5
161.02332	3.4
161.06004	14.6
161.09627	65.6
179.01828	3.4
179.03400	78.8
179.07071	20.1
179.10669	80.8
179.14230	4.1
180.06500	3.7
184.28024	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	179.1067
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
53.03965	1.7
55.01881	2.6
55.05534	1.9
56.96585	1.2
57.03464	1.4
60.95501	0.5
65.03936	2.5
67.05511	5.5
68.99821	0.8
69.03435	5.4
69.07096	0.7
70.88909	1.4
71.05019	0.7
73.06583	0.9
79.05492	6.3
79.05875	0.5
81.03446	1.0
81.07063	6.3
83.05019	1.2
85.02950	0.6
91.05485	51.6
92.05850	0.6
93.07050	17.0
95.04975	5.7
95.08621	4.6
96.71811	0.5
97.02890	0.5
97.06544	0.6
98.97622	1.1
103.05478	3.9
104.51247	0.5
105.03407	0.9
105.07037	24.1
106.07298	0.6
107.04974	1.8
107.08601	7.7
109.06524	6.1
109.10148	6.6
111.04472	2.0
115.05485	2.3
117.07039	1.8
118.04194	2.3
119.04950	42.8
119.08582	7.9
120.05306	0.5
120.08104	14.4
120.08907	1.0
121.06511	12.2
121.10135	0.9
123.04430	2.3
123.08102	4.0
123.11726	2.5
124.85373	0.5
125.06011	1.3
128.06229	1.6
131.04877	0.6
131.08580	2.0
133.02827	0.8
133.06503	14.5
133.10124	17.2
135.08070	4.9
135.11707	1.0
137.05988	2.9
137.09615	6.1
143.08525	3.3
146.07260	1.3
147.04416	100.0
148.04753	1.9
151.03925	1.3
151.07590	1.1
151.11198	4.3
161.05983	5.6
161.09622	11.0
162.09146	0.9
164.04556	0.5
172.42346	0.5
179.01775	0.9
179.03404	14.9
179.07085	12.1
179.10657	17.0
179.14288	1.0
180.03714	0.6
180.10129	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0703
Annotation	(E)-Methyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
53.03933	1.1
55.01861	1.1
55.05503	1.0
57.03447	0.4
58.63177	0.4
65.03938	2.1
67.05506	2.0
68.99771	0.7
69.03420	2.0
71.09975	1.0
79.05494	3.2
81.03391	0.5
81.07052	3.0
83.04958	0.8
85.02890	0.5
89.87440	0.4
90.04642	0.4
91.05479	41.8
92.05792	0.4
93.07044	6.8
95.05003	2.1
95.08602	1.5
97.02902	0.6
103.05434	2.1
105.07025	11.5
107.04980	0.6
107.08578	3.3
109.06532	2.3
109.10145	1.9
111.04443	1.0
115.05460	1.6
117.06968	0.6
118.04173	2.2
119.04945	41.7
119.08562	3.1
120.08085	4.5
121.06516	3.6
121.10110	0.5
123.04429	0.8
123.08052	1.1
123.11708	0.9
128.06224	0.8
131.08565	0.5
133.02832	0.7
133.06494	12.5
133.10129	6.4
135.08066	1.7
137.05980	1.2
137.09619	2.4
143.08600	0.7
146.07281	0.6
147.04408	100.0
148.04790	1.2
151.03938	0.5
151.11252	2.0
161.06009	4.9
161.09618	4.9
179.03398	6.6
179.07047	10.8
179.10625	6.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.2
56.96546	0.6
57.07062	0.7
58.40740	0.5
67.05487	0.4
70.76041	1.0
79.05497	0.5
81.07040	0.6
82.01452	2.0
82.99833	2.1
88.11429	0.4
91.05460	1.7
98.97562	0.9
100.02480	4.8
100.97166	0.5
101.00883	27.4
102.00951	1.0
103.02449	0.5
105.07026	1.1
106.52170	0.5
115.00607	1.0
115.02409	2.0
115.52680	0.5
116.98626	0.4
118.03514	1.1
119.01923	100.0
119.04922	1.6
119.08566	0.9
120.01994	3.1
123.04445	0.8
133.01691	2.2
133.03479	9.2
133.06473	1.3
133.10165	1.1
137.02963	24.3
137.08238	0.7
138.03058	0.9
142.03511	1.7
143.01918	0.6
146.03693	0.5
147.04349	2.2
151.04552	2.8
155.01796	0.4
156.03267	0.9
156.05061	6.3
156.97438	1.0
157.03481	1.2
161.02960	21.4
161.05949	1.1
173.02963	0.6
174.03091	1.5
174.06133	2.1
175.04572	0.6
179.04037	28.6
179.06799	1.6
179.10721	1.5
179.99159	0.5
180.04143	0.8
184.04587	0.8
197.00774	0.6
197.02928	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0863
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
51.02792	0.3
53.03926	0.3
70.03155	1.1
76.07207	0.3
79.05512	2.2
80.83008	0.3
81.07047	0.8
88.02202	0.9
89.03902	0.8
90.04240	0.9
91.05490	2.7
92.05818	0.6
93.07045	1.1
94.41309	0.3
95.04982	0.6
95.08614	0.4
103.05490	0.6
104.04995	0.8
105.07043	3.3
106.06558	0.7
107.04952	1.4
107.08598	0.9
109.06526	0.6
115.05457	6.4
116.04961	0.6
117.03394	2.2
117.05780	3.3
117.07022	0.5
118.04267	5.4
118.06548	9.7
119.04958	1.1
119.08587	1.6
120.08114	1.9
121.06475	0.6
121.10162	0.3
122.10437	0.5
123.04424	0.7
130.06491	0.3
131.04929	1.3
132.03433	0.8
132.04463	25.2
132.05688	2.9
132.08092	39.4
133.02829	0.3
133.06482	0.9
133.08469	0.7
133.10117	1.1
135.04480	1.5
135.08031	0.4
136.07539	0.5
136.93085	0.3
137.05978	2.6
137.09616	0.5
140.04971	1.2
142.06528	12.9
143.06961	0.3
145.02837	0.5
146.03651	18.4
147.04437	1.8
148.04774	0.4
150.06345	1.5
150.09093	0.7
151.03813	0.5
151.07535	0.5
160.07582	100.0
161.05983	1.8
161.07922	1.6
161.09624	0.5
163.03918	5.0
178.06279	7.8
178.08546	8.3
178.78078	0.4
179.03398	2.2
179.06982	1.2
179.09068	0.3
179.10693	1.1
183.26100	0.3
190.91113	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.05
Annotation	Isalexin
Peak:m/z	Relative Intensity
51.02389	0.3
51.36374	0.3
52.89951	0.3
53.03947	0.4
55.01885	0.4
55.05493	0.6
56.96325	0.3
56.96568	4.3
57.03436	0.4
58.16784	0.3
65.03957	0.6
67.05493	1.1
68.99794	3.2
69.03424	0.9
69.07056	0.4
69.33781	0.3
71.36024	0.3
71.41040	0.3
73.02908	0.5
79.05488	0.5
81.03399	0.4
81.07027	0.4
82.06574	0.3
84.08179	0.3
84.96010	0.5
85.02895	0.9
86.00655	0.3
88.02203	1.0
91.05482	1.6
92.05022	0.8
92.05831	0.4
93.03418	0.6
93.07022	0.5
94.06551	0.4
95.01318	0.7
95.04984	0.6
97.02882	0.8
98.09671	0.4
98.97586	1.9
99.97960	0.4
104.04984	0.7
105.07043	0.6
107.04968	1.5
108.04484	0.5
108.05282	0.7
108.08154	0.4
109.02880	0.5
110.06052	8.4
110.97565	0.4
111.04479	0.6
116.98613	1.1
118.04192	0.6
118.06505	0.4
118.92088	1.4
118.96755	1.3
119.01955	0.3
119.04932	1.4
123.04447	0.4
128.98608	0.8
132.04457	12.6
132.08066	0.5
133.04800	0.3
134.99673	0.8
136.03947	3.1
136.93115	3.6
137.05989	1.1
143.01865	0.4
146.03528	1.1
147.04433	1.2
150.05460	0.7
150.09142	1.0
154.93076	0.5
154.94193	5.0
154.96469	0.4
155.00055	0.3
160.03928	0.8
160.07622	0.5
161.05989	0.6
172.95276	10.0
178.04996	100.0
178.12138	2.1
179.03378	1.3
179.05313	1.8
179.06837	0.6
187.02798	0.3
190.96396	3.7
197.01369	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03948	2.7
55.05514	13.2
56.76225	0.6
57.07076	1.4
59.10416	0.6
65.03960	0.6
67.05504	8.7
69.07071	28.1
69.55161	4.7
73.54642	0.7
79.05497	25.2
81.07061	100.0
82.07394	1.1
83.08624	11.5
89.03933	0.9
91.05480	6.8
93.07050	36.3
95.08610	42.6
97.10187	5.8
98.21484	0.7
98.98466	2.8
105.07024	6.0
105.69057	0.7
107.08598	76.7
109.10160	15.1
117.03426	1.2
119.06063	0.7
119.08596	1.6
121.10147	73.6
131.01810	0.6
135.11693	10.1
145.02797	0.9
149.02402	0.8
149.13266	4.7
177.05493	1.1
177.16396	65.8
178.16780	1.0
190.74721	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
55.05298	1.3
55.05513	17.1
67.05511	9.6
69.06718	1.8
69.07074	29.8
69.64423	2.8
69.64831	5.7
79.05045	2.2
79.05495	32.9
81.07060	73.5
82.07386	1.7
83.08625	13.0
90.47383	1.2
91.05479	10.0
93.07051	47.6
95.04950	1.4
95.08608	63.2
97.10184	7.4
105.07047	8.5
107.08598	100.0
108.11093	1.2
109.06516	1.3
109.10162	17.4
119.08605	1.6
121.10146	88.2
135.11705	16.2
144.74420	1.1
149.13213	5.3
150.81422	1.2
177.16391	66.5
178.16718	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1638
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03954	1.3
55.05516	12.0
57.07079	1.8
57.13683	1.0
59.22935	1.3
65.03921	1.1
67.05505	7.6
69.07069	36.7
71.34371	2.6
71.86708	1.0
78.94875	1.1
79.05499	16.5
81.07066	12.4
83.00511	1.2
83.08620	18.0
89.03935	1.6
91.05490	12.7
93.07049	34.9
95.04963	1.9
95.08609	42.3
97.10158	1.9
98.98474	12.4
103.05518	1.3
105.07037	12.2
107.08596	97.4
108.08961	1.9
109.06515	2.0
109.10167	15.7
117.03376	4.5
119.08551	5.1
121.06461	2.0
121.10145	100.0
122.10436	1.9
131.01923	1.8
131.08577	2.7
133.10132	2.2
134.03619	1.1
135.11684	22.7
145.02859	5.3
149.02316	2.7
149.06009	2.7
149.13263	6.3
177.05438	4.9
177.09073	6.2
177.12885	6.3
177.16388	61.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.1639
Annotation	(3E,5Z,7Z,9E)-Trideca-3,5,7,9-tetraene
Peak:m/z	Relative Intensity
53.03937	3.1
55.01854	1.4
55.05511	12.6
56.96555	3.1
57.07061	2.6
63.91309	0.9
65.03944	6.1
67.05512	9.2
67.57372	0.8
69.03417	1.6
69.07070	42.1
71.08620	0.8
71.61299	1.5
72.96366	0.9
77.03889	0.9
78.04704	5.8
79.05494	19.6
81.07061	14.5
83.08620	14.3
89.03916	11.0
91.05483	26.0
93.07047	40.5
95.04973	4.8
95.08609	51.3
97.10142	3.0
98.45149	0.8
98.97555	1.0
98.97803	1.1
98.98470	15.2
99.20935	0.8
103.05476	6.9
105.04517	1.1
105.07024	11.8
106.04179	23.6
107.04940	2.4
107.08595	79.7
109.06529	2.1
109.10164	15.5
113.94061	0.9
115.05479	0.9
117.03388	17.4
117.07013	1.9
119.04948	1.3
119.08575	5.6
120.08038	1.1
121.06517	16.4
121.10146	100.0
123.08079	1.5
131.01906	2.6
131.04906	3.7
131.08527	7.0
133.07623	1.5
133.10126	2.8
134.03630	5.2
134.06050	1.3
134.07262	0.8
135.04427	1.6
135.08051	2.2
135.11694	19.1
136.93074	1.5
144.09319	1.3
145.02855	23.4
146.03381	0.9
148.07578	3.1
149.02342	3.8
149.04916	1.5
149.05995	20.4
149.09636	3.1
149.13278	7.3
154.03563	1.2
154.94218	1.5
159.04419	1.7
159.07961	1.2
159.11687	5.0
162.03125	3.7
162.06720	1.2
163.03870	1.2
172.95308	1.8
175.92323	0.8
177.05475	22.9
177.09103	12.2
177.12798	9.7
177.16389	62.0
178.08583	4.2
186.05429	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0546
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03945	1.2
55.05511	0.9
56.99977	0.5
62.30441	0.5
63.02377	1.0
65.03936	0.5
67.05498	1.2
69.07070	1.6
69.75839	0.8
69.76245	2.0
70.39106	0.4
76.29043	0.6
78.04720	4.5
79.05485	1.3
81.07069	2.1
83.08601	0.6
89.03919	42.2
91.05478	6.7
93.07027	3.1
95.04984	1.2
95.08598	2.1
98.98473	2.4
103.05463	3.2
105.03411	0.6
105.07057	1.2
106.04173	9.5
107.04929	1.1
107.08628	3.6
107.09243	0.6
112.81963	0.5
117.03378	77.9
118.03716	0.9
119.04904	0.7
121.06487	3.0
121.10147	4.0
124.05183	0.9
125.00064	0.5
126.70430	0.6
131.04939	0.8
131.08574	1.4
134.03633	9.9
135.04396	4.5
135.11682	1.5
145.02846	100.0
146.03197	2.0
147.04492	0.7
149.02356	1.0
149.05981	28.7
149.13191	0.6
158.05992	0.7
159.11696	1.2
162.03117	1.9
162.42294	0.6
163.03888	1.9
174.34949	0.5
177.05469	26.3
177.09062	4.4
177.12801	2.5
177.16365	1.9
178.05833	0.6
186.05536	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.11909	0.8
53.03951	4.0
54.17142	0.8
55.01871	1.4
55.05511	5.1
63.02381	1.3
65.03938	2.9
67.05499	4.0
69.03440	1.4
69.07068	10.3
70.00349	3.9
74.79433	0.8
78.04718	8.9
79.05488	9.3
81.07059	10.2
83.08628	6.4
86.97047	0.8
89.03919	45.8
91.05487	18.0
93.07054	21.8
95.04971	3.8
95.08610	18.5
97.10190	1.6
98.20811	1.1
98.98467	8.7
103.05486	6.0
105.03367	1.4
105.04508	0.9
105.07024	5.7
106.04180	25.3
107.04969	2.0
107.08600	29.8
109.10163	7.7
115.05480	1.0
117.03383	76.1
117.06995	1.5
119.04953	1.5
119.08571	2.4
121.06519	12.0
121.10146	44.4
123.08035	1.0
129.04453	1.2
131.01920	1.3
131.04910	2.6
131.08586	3.6
133.10179	1.1
134.03630	12.9
135.04410	6.3
135.08099	0.9
135.11702	10.2
136.28940	1.0
142.68921	0.8
145.02849	100.0
146.03259	1.4
149.02347	2.0
149.05992	35.4
149.09648	1.7
149.13255	3.4
158.06042	1.3
162.03157	2.3
162.06725	1.2
163.03934	2.5
177.05486	34.8
177.09013	5.8
177.12741	4.1
177.16391	28.9
186.05510	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.03931	2.7
55.01867	1.5
55.05504	1.8
55.95235	0.6
57.38278	1.0
65.03938	1.5
67.05492	3.2
69.03445	1.0
69.07076	1.9
69.72192	5.1
71.60135	0.8
77.03926	0.9
78.04707	6.4
79.05495	4.4
81.07050	3.6
83.08624	1.1
89.03918	46.3
91.05478	14.3
93.07039	9.8
95.04966	2.2
95.08604	7.2
96.68746	0.7
98.21520	0.9
98.97529	0.8
98.98464	5.0
103.05453	3.5
105.03382	1.4
105.04529	0.9
105.07016	2.3
106.04175	19.1
107.04948	2.3
107.08598	8.7
109.10155	2.6
117.03382	80.1
117.07012	2.3
118.07333	0.7
119.04929	2.3
119.08580	2.0
121.06522	9.9
121.10153	11.1
131.01883	0.9
131.04910	1.7
131.08569	2.3
133.10097	1.4
134.03641	11.3
135.04451	4.8
135.08047	1.3
135.11668	3.2
144.09311	1.1
145.02847	100.0
146.03143	1.6
149.02325	1.9
149.05974	33.2
149.09615	1.3
149.13257	1.6
159.08069	1.4
159.11655	1.5
162.03128	2.7
163.03864	1.8
172.70688	0.9
177.05470	33.1
177.09073	8.8
177.12662	5.4
177.16414	5.9
186.05490	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
53.00313	0.5
53.03950	1.0
55.54292	0.5
63.02367	1.4
65.03939	0.9
67.05499	1.0
69.07070	1.1
69.13667	0.5
69.19901	0.5
69.83772	3.1
69.84062	0.7
78.04718	3.9
79.05500	2.0
81.07066	1.8
83.08600	0.6
89.03919	47.4
90.04259	1.2
91.05482	7.6
93.07050	4.6
93.68665	0.5
95.04943	1.6
95.08598	2.6
98.20798	1.0
98.98466	2.2
103.04842	0.5
103.05453	3.2
105.04483	0.8
105.07048	1.8
106.04155	4.8
107.08599	3.6
109.10242	0.7
115.05463	0.7
116.06195	0.5
117.03381	86.7
117.07013	1.6
118.03694	0.9
119.04934	0.7
121.06534	3.5
121.10146	3.9
124.05181	1.0
131.04924	0.7
131.08575	2.9
133.10124	0.8
134.03635	9.5
135.04424	5.2
135.08044	1.4
135.11691	1.1
145.02847	100.0
146.03201	1.6
149.05983	27.6
149.09579	0.7
150.06366	1.0
158.06067	1.0
159.08047	1.3
159.11703	1.3
162.03113	2.0
162.06795	1.9
163.03859	2.7
177.05479	28.9
177.09084	14.5
177.12669	2.5
177.16386	2.4
178.05789	0.8
186.05493	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	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
50.22751	0.5
53.03941	1.4
54.51604	0.5
55.01859	0.8
55.05525	1.1
63.02388	1.3
65.03938	1.0
67.05489	1.1
67.69962	0.5
67.77203	0.5
69.07066	1.9
69.50569	0.6
69.94108	2.0
69.94513	0.9
77.03912	0.7
77.89554	0.5
78.04714	3.8
79.05489	2.9
81.07043	2.0
83.08604	1.0
89.03921	48.6
91.04957	0.6
91.05491	8.3
93.07041	5.5
95.04971	1.7
95.08624	2.8
98.97594	0.7
98.98469	3.2
103.05469	3.0
105.07037	2.0
106.04173	7.2
107.04946	1.3
107.08595	4.9
109.06493	0.8
109.10151	0.8
111.47074	0.5
117.03383	77.6
117.07013	1.3
118.03671	0.7
119.04952	1.1
119.08569	1.2
121.06503	2.8
121.10147	6.7
124.05170	1.0
129.06973	0.5
131.04900	1.1
131.08595	2.8
133.10126	1.0
134.03632	9.9
135.04428	5.2
135.08089	1.2
135.11685	1.4
145.02849	100.0
146.03227	1.4
147.04427	1.6
149.02338	1.4
149.05984	28.0
149.09601	0.8
158.05994	1.2
159.08052	1.1
159.11714	3.9
162.03111	1.9
163.03891	1.7
177.05476	31.9
177.09045	4.7
177.12743	4.7
177.16382	2.9
178.05840	0.8
186.05499	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0547
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
51.50605	0.6
53.03942	1.7
55.01863	1.3
55.05507	2.3
56.96570	0.7
57.03422	0.8
58.44097	0.5
63.02377	1.7
63.95232	0.5
65.03944	1.5
67.05505	1.7
69.03428	2.0
69.07071	1.7
71.60758	1.1
78.04720	5.0
79.05498	3.5
81.03430	0.7
81.07052	2.5
85.02917	1.6
89.03918	47.2
90.04235	1.0
90.85355	0.6
91.05481	12.3
93.07037	6.8
95.01340	3.3
95.04972	3.0
95.08602	2.3
97.06499	0.8
98.97616	3.3
98.98471	9.6
101.00869	0.9
103.05472	4.6
105.03410	0.7
105.04522	0.7
105.07037	4.5
106.04173	8.1
107.04948	1.4
107.08585	5.8
109.06520	4.5
109.10151	1.2
109.42424	0.6
113.02470	0.5
116.06248	1.0
116.98589	1.3
117.03381	81.4
117.07011	2.8
118.03687	0.8
119.01979	0.8
119.04958	1.4
119.06892	1.9
119.08570	2.8
120.05630	0.7
120.69588	0.5
121.02873	1.9
121.06495	7.5
121.10148	5.5
122.79725	0.6
123.08067	1.2
124.05199	1.1
129.04503	0.8
129.07022	1.0
130.06529	0.8
131.01921	0.8
131.04933	2.7
131.06912	4.6
131.08586	5.7
133.10136	1.8
133.43478	0.5
134.03647	10.4
134.99553	0.6
135.04443	5.5
135.08031	3.0
135.11697	2.3
143.01907	2.1
143.98982	0.8
144.05814	0.7
144.09291	0.9
145.02847	100.0
146.03220	1.6
147.04420	8.8
147.08075	0.7
149.02357	2.4
149.05988	31.9
149.09653	3.0
149.13304	1.1
150.06322	1.1
151.11119	0.5
158.06000	0.7
159.04468	1.3
159.06506	1.1
159.08075	2.1
159.11752	3.3
161.02963	1.6
161.06003	2.1
162.03119	2.5
162.06752	5.6
163.03918	3.3
177.05475	31.7
177.09097	30.4
177.12674	6.1
177.13919	0.7
177.16420	1.8
178.04884	3.0
186.05539	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0548
Annotation	4-Methylumbelliferone
Peak:m/z	Relative Intensity
52.62469	1.1
52.67279	1.2
53.03937	1.5
55.05503	4.7
56.96565	3.1
57.55562	1.1
60.37249	1.1
60.80941	1.2
63.02360	1.7
65.03936	2.9
67.05502	4.4
69.07080	10.5
71.45699	1.2
71.50381	1.1
71.61229	1.6
77.68342	1.0
78.04713	3.5
79.05504	12.9
81.07056	13.3
83.08619	4.5
83.60371	1.2
88.02261	1.2
89.03927	47.4
91.05490	9.7
91.30954	1.2
93.07047	20.9
95.01334	1.4
95.04977	2.2
95.08609	14.9
97.10218	1.4
98.98483	24.0
101.88084	1.2
103.05460	2.9
105.02167	1.2
105.07040	6.7
106.04184	2.4
107.04996	1.8
107.07943	2.2
107.08609	26.9
109.10134	6.0
117.03391	80.1
119.08601	1.5
121.02840	1.6
121.06509	4.2
121.10159	33.5
131.01917	4.8
131.04964	1.6
131.08614	4.3
131.99390	1.3
134.03638	9.6
135.04445	6.1
135.11720	8.5
145.02863	100.0
146.03151	1.8
147.04405	1.2
149.02377	4.9
149.04901	2.5
149.06001	27.2
149.09488	1.4
149.13290	3.8
153.93761	1.5
154.03539	2.1
158.06024	2.8
159.08078	1.8
159.11774	2.2
162.03111	3.7
163.03931	3.3
172.95328	1.7
177.05482	35.9
177.08984	7.2
177.12740	9.6
177.13954	1.1
177.16386	22.9
186.05550	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	177.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
54.74960	0.6
55.01875	1.3
55.05502	2.3
57.03455	0.6
57.30962	0.6
62.01557	0.7
63.02371	1.6
65.03950	1.0
67.05517	1.6
69.03424	1.0
69.07069	2.7
71.34316	1.6
71.34657	0.7
77.03918	0.9
78.04708	5.4
79.05493	5.2
81.07063	3.8
82.87313	0.7
83.08656	0.8
89.03920	55.0
90.04263	1.5
91.05492	12.7
93.07050	7.5
95.00368	0.6
95.01337	1.4
95.04963	2.8
95.08601	4.2
97.06538	0.7
98.21400	0.8
98.97575	1.6
98.98462	6.4
103.05482	4.5
103.82249	0.6
105.03400	0.7
105.04562	1.2
105.07047	5.3
106.04173	9.9
107.04974	1.8
107.08599	7.2
109.06527	0.9
109.10184	0.9
116.01424	0.7
116.06265	0.9
116.98626	0.7
117.03383	89.6
117.07009	2.3
118.03654	1.2
119.04950	0.8
119.08578	1.9
121.06526	7.3
121.10143	7.9
124.05193	0.7
131.04939	2.3
131.08572	8.2
133.06544	1.0
133.10156	3.5
134.03636	12.7
135.04440	6.8
135.08014	2.2
135.11722	3.2
141.01758	1.0
144.09383	0.7
145.02853	100.0
146.03342	2.2
147.04401	6.2
149.02365	1.5
149.05988	33.6
149.09627	2.9
149.13275	1.5
158.06068	0.8
159.04460	1.2
159.08075	1.1
159.11691	4.4
161.05981	0.8
162.03148	2.4
162.06729	3.4
163.03893	3.5
177.05481	36.0
177.09082	17.8
177.10619	1.0
177.12700	8.8
177.14026	1.0
177.16357	2.7
178.06046	0.9
186.05536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10688	0.9
55.01879	2.6
55.05512	1.6
56.96571	22.4
57.03435	7.5
58.99863	2.9
60.01387	2.0
60.95853	2.0
61.02927	6.5
61.54013	1.0
65.03931	2.2
67.05464	1.6
69.01901	3.0
69.03120	1.1
69.03435	13.6
69.07069	2.8
70.03772	1.1
70.06604	1.5
70.99853	1.8
71.01346	2.6
71.02414	1.1
71.04986	1.6
71.42076	1.7
71.95267	1.6
72.01375	1.6
73.02927	6.2
75.01900	2.1
77.00914	2.1
79.05460	1.6
80.02931	2.2
81.01919	8.5
81.03402	3.2
81.07029	1.1
82.82885	1.0
82.99851	1.3
83.00758	1.4
83.04971	2.9
85.01383	1.9
85.02151	2.2
85.02917	8.2
87.04433	1.1
88.02659	1.6
89.00800	1.1
89.03428	1.7
89.03917	2.4
90.01586	1.2
90.02429	6.4
91.00539	1.4
91.05479	3.8
93.00141	1.0
93.01897	2.8
93.07037	3.9
94.02676	14.5
94.52742	1.8
95.01289	3.6
95.01640	6.3
95.04985	2.1
95.08604	1.8
95.51735	2.3
97.02892	6.4
98.01292	2.8
98.97592	46.3
98.98449	6.4
99.02938	2.4
99.04430	1.2
99.52962	1.1
101.00879	23.1
101.01614	6.7
101.51695	2.5
102.00965	2.2
102.02422	3.9
103.00537	3.0
103.02435	3.8
103.03184	19.1
103.05471	1.8
103.53284	2.3
104.02162	4.0
104.04941	1.2
104.82616	0.9
105.02110	1.5
105.07039	2.0
106.04173	1.3
107.01720	2.3
107.04959	2.8
107.08585	4.2
108.02394	2.2
109.02850	2.4
109.10181	1.2
110.01468	1.5
110.02151	8.4
110.52264	2.4
110.97561	2.8
111.02015	1.5
111.04466	1.1
112.01034	5.5
112.03720	56.9
112.53795	10.8
112.99153	1.2
113.00869	5.9
113.02431	1.6
113.03565	2.3
114.02499	1.1
115.02412	3.9
115.03152	1.2
116.02151	14.7
116.52240	3.5
116.98634	27.6
117.02097	1.4
117.03355	3.8
118.92065	3.6
119.01922	31.5
119.04526	1.6
120.02013	2.0
121.01572	8.6
121.04240	100.0
121.09283	1.1
121.10129	4.4
121.51710	1.0
121.54337	15.3
122.02171	1.5
122.04108	3.2
123.02913	3.4
123.54503	3.2
125.01840	1.4
125.02675	16.5
125.52788	4.7
127.02406	3.0
127.03903	4.9
128.02348	1.5
128.05014	1.6
128.98593	3.8
129.02100	1.1
129.03033	6.3
129.03935	1.9
129.53232	1.0
130.04729	2.5
131.01889	14.8
131.02687	1.0
131.08594	1.9
131.12621	1.5
131.52756	1.6
132.01956	1.2
132.04436	1.8
132.55016	3.6
133.01552	2.5
133.03452	4.6
134.03535	1.8
134.99655	10.6
135.11688	2.1
136.93111	9.1
137.02936	1.9
138.03436	6.5
138.53535	1.4
139.02390	2.3
143.00179	1.8
143.01910	11.7
144.01950	2.1
144.98067	2.0
145.02675	2.8
145.03444	8.7
146.03484	1.7
147.01375	3.2
147.03041	1.2
147.03983	16.0
147.54021	3.2
148.11221	2.1
149.01224	1.1
149.02264	2.2
149.05923	3.8
149.07120	4.0
154.03491	3.4
154.94167	12.6
157.03490	17.9
158.03668	3.0
161.01230	1.0
161.01740	1.0
161.02980	8.3
162.03148	2.4
162.99130	1.5
163.04495	3.4
169.03398	1.3
171.01363	2.5
172.95251	19.6
175.04527	5.9
176.04608	1.4
177.05392	4.6
177.06746	7.8
177.09096	2.3
177.13916	6.4
177.16345	1.7
178.04965	2.8
178.08615	4.0
179.04060	1.2
181.05597	1.6
185.03001	7.1
186.03088	1.0
186.99182	1.4
187.04483	1.2
189.02435	3.4
190.02522	1.4
190.96286	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	177.0309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05284	0.9
53.03937	2.4
55.01866	2.9
55.05501	1.9
56.96568	42.1
57.03419	3.3
61.02907	1.7
65.03931	2.9
67.05499	1.8
68.99793	1.0
69.03435	9.6
69.07047	2.5
69.32040	2.7
69.32465	4.8
71.01342	0.9
71.95259	2.5
73.02908	3.8
74.97648	0.9
75.03046	0.8
79.05490	5.7
81.03410	3.7
81.07056	3.6
83.08633	2.3
84.96040	7.3
85.02908	4.9
89.03930	8.9
91.05487	10.0
93.03365	0.9
93.07045	8.9
93.55651	1.0
95.01327	1.6
95.04966	2.8
95.08607	5.7
97.02897	6.3
98.21509	2.0
98.97583	72.2
98.98460	20.6
100.01823	1.7
103.05467	3.4
103.98903	1.0
104.48197	0.8
105.04514	1.3
105.07044	3.3
106.04162	2.3
107.04957	100.0
107.08581	9.3
108.05291	5.7
109.02894	1.9
109.06541	1.3
109.10152	1.9
110.06059	1.3
110.07150	1.4
110.97591	7.2
116.98628	53.0
117.03384	13.3
117.06993	2.0
118.92080	1.3
118.96764	1.2
119.04971	1.9
119.08598	2.0
121.06519	7.1
121.10140	11.4
123.02029	1.2
124.99080	1.9
127.03933	1.1
128.98605	9.2
131.00113	1.2
131.01900	1.6
131.04929	8.6
131.06892	1.1
131.08554	5.1
132.04460	3.0
133.02208	1.0
133.06549	0.9
133.10158	1.1
134.03621	2.5
134.99669	30.4
135.01987	1.5
135.04433	2.9
135.08110	2.0
135.09131	1.9
135.11694	1.7
136.93134	1.4
140.00153	1.9
140.98561	1.7
141.02007	1.9
143.00197	4.5
143.56367	1.0
145.02837	17.9
146.99643	6.8
147.02005	1.1
148.02803	2.2
148.11180	1.2
149.01244	1.5
149.02321	6.4
149.05991	12.1
149.07060	2.2
149.09608	2.4
149.10718	1.2
153.00716	2.8
154.94170	3.1
158.99686	3.6
159.04376	2.6
159.05536	1.3
159.08084	2.1
159.11665	1.5
161.01245	5.9
162.03108	1.6
162.04445	1.1
163.00763	1.6
163.03566	1.1
169.01720	1.1
170.99661	1.8
172.95313	6.8
177.00681	3.0
177.03127	1.9
177.05405	16.5
177.06543	1.8
177.08939	5.6
177.10464	1.9
177.12796	2.5
177.13901	47.1
177.16150	6.3
178.04994	17.5
178.06459	1.3
181.01691	1.5
185.01195	1.1
185.02916	1.2
186.03717	1.9
187.02739	1.3
189.00716	2.0
190.96323	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13828	1.5
69.71069	6.3
69.71502	4.5
75.98962	1.7
77.90070	1.6
78.11597	1.9
79.33058	1.8
85.77911	1.4
109.48550	1.5
130.09798	2.5
132.02122	100.0
160.28595	1.6
176.01056	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	176.092
Annotation	Calystegine B1
Peak:m/z	Relative Intensity
50.48697	0.5
50.77515	0.5
52.15924	0.6
52.40775	0.5
53.03943	0.8
55.01876	1.3
55.05521	1.9
55.35784	0.5
56.05036	1.2
56.96567	10.6
57.01708	0.5
57.03442	3.1
58.06632	0.6
60.04534	3.5
60.05648	1.0
61.02924	1.0
65.21078	0.5
67.05515	2.2
68.05015	0.6
69.03438	3.7
69.07063	1.0
70.06595	91.2
70.60786	2.0
70.98148	0.5
71.04996	100.0
71.06936	2.5
72.05331	0.6
72.08163	1.2
73.02919	3.1
73.08502	0.6
81.03429	2.1
81.07069	2.4
83.04989	0.9
84.08138	3.7
85.02920	4.1
85.06554	1.9
87.04474	1.4
88.07635	44.8
90.96937	0.5
95.01345	0.7
95.04959	0.8
95.08624	1.7
97.02899	7.0
98.01350	0.6
98.03210	0.6
98.06059	2.7
98.20805	0.8
98.97588	18.3
99.04430	5.0
100.01155	0.5
101.00919	1.0
102.00982	0.6
105.35316	0.5
107.04966	0.8
109.02896	1.2
110.01285	0.8
110.07202	0.6
110.97592	1.0
112.07637	2.1
112.11246	2.7
112.99134	2.9
113.00957	0.5
114.09188	0.5
115.00697	0.6
115.02444	0.6
116.07111	4.0
116.53279	0.6
116.97248	1.9
116.98640	7.7
117.02094	0.8
117.05498	8.3
119.01876	2.2
120.01980	0.9
120.02690	0.7
121.04204	1.0
123.08096	1.3
127.03972	2.7
128.02347	0.6
128.98663	1.1
130.04910	1.3
130.08653	48.0
130.09689	2.4
130.12277	8.0
131.00174	2.9
131.01947	2.0
133.03461	0.7
134.03630	0.7
134.08130	24.2
134.99693	2.3
138.47519	0.6
140.10727	0.6
140.14384	0.7
143.00211	1.4
144.10205	1.0
145.01651	1.0
146.02357	0.6
149.01233	0.5
152.96977	0.8
158.01312	0.7
158.11801	2.8
158.15393	0.8
158.99661	1.2
161.01192	1.6
161.02951	0.7
163.02814	0.6
165.04074	0.6
167.01851	0.9
170.99947	0.7
171.01402	2.9
175.98553	0.7
176.03462	2.0
176.09187	2.2
176.10526	2.3
176.12846	2.5
176.14432	1.7
176.16493	1.8
185.02950	5.5
189.00821	1.3
189.02419	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05515	6.4
57.07075	0.9
57.46790	0.7
58.33179	0.7
67.05495	3.4
69.07070	12.8
70.81712	1.9
79.05496	5.0
81.07061	16.4
83.08606	1.6
91.05482	14.9
93.07052	6.2
95.08615	11.6
97.02837	1.0
98.98476	13.1
103.05481	1.4
105.07040	43.5
107.08610	8.2
109.10152	0.8
115.05453	1.9
117.07032	4.6
119.08590	63.3
121.10158	1.8
129.07071	0.8
131.08571	8.3
132.05682	0.9
132.08842	0.9
133.10138	64.4
142.07761	0.9
145.10117	4.2
146.10948	3.7
147.08067	2.3
147.11696	16.7
147.12770	1.4
157.10112	1.5
160.05186	1.7
160.12462	3.4
165.89087	0.7
173.13252	2.4
175.03912	1.3
175.07607	5.1
175.11372	6.9
175.14839	100.0
176.15201	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
50.48912	0.8
55.01868	0.9
55.05511	5.8
64.44118	0.8
65.03962	1.2
65.63792	1.0
67.05506	4.0
69.03439	1.3
69.06764	1.2
69.07083	12.6
69.32095	6.5
69.32510	1.6
79.05505	5.6
81.07066	17.7
83.08614	3.0
91.05487	18.7
93.07050	7.7
94.64024	0.8
95.08609	14.2
98.98475	39.0
103.05479	1.8
105.07039	51.3
106.07338	1.0
107.08606	9.5
111.04468	0.8
115.03972	1.7
115.05499	1.2
117.07024	5.9
117.08305	0.9
118.07873	1.0
119.08591	78.2
121.10129	2.3
129.07008	1.2
131.08586	7.2
132.09306	0.9
133.10143	71.6
134.10486	1.4
145.10126	6.1
146.10892	4.7
147.04453	0.9
147.08017	1.3
147.10614	1.6
147.11696	19.3
151.93884	1.0
157.10152	1.5
160.08820	1.0
160.12515	4.4
173.13319	1.7
175.03871	1.0
175.07613	2.4
175.11403	5.7
175.14839	100.0
176.07028	1.0
176.15155	2.4
179.68954	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1119
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03933	2.0
55.01844	2.0
55.05497	4.8
56.96551	2.9
57.03184	1.3
57.03438	16.2
65.03926	2.5
67.05504	13.7
69.03419	2.2
69.07056	6.4
70.06589	1.7
71.61275	1.7
71.61645	1.1
79.05502	7.8
81.07052	9.5
81.55348	1.0
83.04942	2.1
83.08612	1.3
91.05478	34.3
93.07033	5.5
95.04970	10.4
95.08593	3.7
97.02862	2.5
98.98466	58.5
102.76352	1.0
103.05494	1.3
105.03392	1.7
105.04578	1.4
105.07028	38.5
107.04971	5.6
107.08566	5.1
111.04391	1.3
115.03883	1.6
115.05473	5.8
116.06217	1.6
116.99496	1.9
117.07008	7.3
119.04960	3.6
119.08579	76.2
120.51511	1.1
121.06507	4.1
122.68256	1.0
125.02389	1.6
127.03901	1.7
128.06187	2.5
129.05492	1.6
129.07001	10.2
131.04922	4.7
131.08568	8.3
132.05707	4.9
133.06496	27.7
133.10126	29.2
135.08044	1.5
136.58018	2.3
139.03911	1.3
142.07767	10.4
145.06474	8.5
145.10107	3.7
146.07271	29.3
147.04427	5.8
147.08043	62.3
147.11679	20.2
148.08466	1.2
151.93805	1.9
154.57890	1.1
157.04356	1.4
157.06447	1.6
157.07616	1.4
157.10133	10.6
160.05232	5.4
160.08824	7.2
175.03934	3.6
175.07579	16.7
175.11188	100.0
175.14792	34.0
176.11456	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	175.0259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01880	5.7
55.05506	3.3
56.96568	80.2
57.03442	9.7
57.07093	6.6
58.06594	1.8
59.04997	2.8
60.05354	1.6
60.05653	29.9
61.02927	4.6
65.03946	1.5
66.22906	1.1
67.05502	4.8
69.03431	12.5
69.07073	12.2
70.06596	100.0
70.72009	2.4
70.98108	6.3
71.01348	2.1
71.04987	8.3
71.95256	2.0
72.08159	42.3
72.93793	1.8
73.02917	12.0
74.00280	1.6
74.97614	3.2
77.00790	1.4
79.05495	2.0
80.00256	1.0
81.01028	2.2
81.01985	1.0
81.03428	5.2
81.07043	1.0
82.00010	7.4
82.01801	1.7
83.00775	4.2
83.01266	1.1
83.04976	8.0
84.08149	6.9
84.96043	5.7
85.02901	13.1
85.06528	2.5
86.00727	1.2
86.09710	13.9
86.97617	1.8
87.01012	1.5
87.04465	4.0
88.07661	1.2
88.99158	2.1
89.00791	3.7
90.01575	2.9
91.00529	18.4
91.05486	9.3
94.06572	1.3
95.04971	2.3
96.01550	4.9
97.02898	11.6
97.06528	1.2
97.08485	1.5
98.01301	2.9
98.03128	1.2
98.06081	1.2
98.97585	54.7
98.98462	30.3
99.04463	10.9
99.10088	1.1
100.01041	3.1
100.99156	6.7
101.00838	5.0
102.51330	1.8
103.00507	5.9
103.02402	2.9
105.02103	2.3
105.07008	1.6
109.02872	13.7
110.01281	10.3
110.01974	1.7
110.03157	1.4
110.97585	11.1
111.02063	3.0
111.04453	3.3
111.53614	1.2
112.01026	31.8
112.07600	3.7
112.08736	3.3
112.51215	1.4
113.02372	3.9
113.06011	1.3
115.00626	1.9
115.02367	1.5
115.03945	1.4
116.07088	25.3
116.97259	1.7
116.98627	18.8
117.02081	1.2
117.98988	1.1
118.00980	1.7
119.00182	1.9
119.01816	34.4
119.04941	3.7
119.08582	4.4
119.51953	2.6
121.01557	19.5
121.51761	1.3
123.51867	1.4
124.01034	1.5
125.02521	1.4
125.03596	1.3
126.02519	1.6
126.97045	1.5
127.00698	1.2
127.03911	8.1
128.02332	21.5
128.52498	2.2
128.98622	11.2
129.02222	1.2
129.03090	2.4
130.06543	15.9
130.08644	8.3
130.09767	11.5
130.12267	2.8
131.00171	1.2
131.01828	3.6
132.04446	16.9
132.95865	1.9
133.01674	3.1
133.03470	2.5
133.10109	3.5
134.99654	3.5
137.02840	1.6
139.01585	1.4
139.53087	1.2
140.00131	1.5
140.98636	1.5
143.00159	3.4
144.98093	18.3
145.01572	5.9
145.03436	1.7
145.31717	1.1
146.99713	6.1
147.04388	6.2
147.11674	1.4
148.97523	2.1
150.96837	2.0
154.02063	4.7
154.03967	1.4
157.03415	1.4
157.07614	5.8
157.10577	1.5
158.06046	18.4
158.09277	6.0
158.11790	10.9
158.99673	12.5
159.03239	2.4
161.01239	4.0
161.02866	2.1
161.04706	3.7
162.99159	14.1
163.02841	2.6
170.99704	1.9
173.01096	1.7
174.99071	3.5
175.02644	2.1
175.04076	2.2
175.07413	2.3
175.08801	2.6
175.11955	17.6
175.14728	4.3
177.00731	7.4
177.04349	1.3
181.00224	2.1
184.05019	1.8
186.99077	1.8
187.02768	2.0
189.00775	2.7
189.02592	1.3
191.02298	1.7
193.00226	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	174.1124
Annotation	Hyacinthacine A2
Peak:m/z	Relative Intensity
53.03936	2.0
53.80953	0.7
55.01865	4.9
55.05511	13.6
55.93509	1.0
56.04813	0.9
56.05036	9.7
56.05841	1.8
56.96566	44.9
57.03226	0.9
57.03437	9.4
57.07062	3.1
58.02959	1.9
58.06595	1.9
58.99572	1.9
59.05005	7.7
60.04525	99.2
60.05650	8.6
60.95850	1.1
61.02931	5.6
65.03922	2.7
67.05506	24.0
68.05029	12.4
69.03063	1.7
69.03430	28.4
69.07065	8.4
70.02955	2.0
70.03757	1.1
70.06591	36.4
70.88159	1.5
70.95499	1.3
70.95860	13.4
70.98094	0.8
71.04987	7.2
71.06075	0.9
72.04502	1.7
72.07790	0.9
72.08157	9.3
72.93790	11.4
73.02187	0.8
73.02599	0.9
73.02916	9.5
73.06561	1.0
74.06075	1.4
74.97615	1.3
77.00888	1.3
79.05493	8.2
80.05007	1.5
80.58667	0.8
81.01906	0.7
81.03410	7.6
81.07053	10.9
82.02950	1.2
82.06573	11.1
83.01325	1.4
83.04974	9.5
83.08617	2.9
83.91216	0.8
84.04509	5.0
84.05297	2.5
84.08141	31.8
84.96011	2.0
85.02908	13.3
85.06547	16.0
86.00646	2.2
86.03209	1.0
86.06061	6.4
87.04468	5.3
88.96902	3.2
89.00803	1.0
90.94850	4.0
91.00506	1.3
91.02330	1.0
91.05475	7.1
93.01838	0.8
93.05774	1.4
93.07040	8.9
94.06000	1.4
94.06571	20.8
95.04958	7.2
95.08604	4.8
96.01556	1.5
96.04472	3.7
96.08137	13.9
97.02891	19.0
97.06541	2.7
97.08877	2.0
98.01302	1.8
98.03191	1.5
98.06052	11.8
98.09692	100.0
98.97574	22.3
98.98449	8.9
99.04443	4.0
99.08080	1.7
100.02491	1.2
100.03945	1.0
100.07600	2.9
100.99126	1.3
101.00853	5.5
101.02367	1.3
101.06029	1.4
102.00951	1.1
102.04305	1.0
103.02443	1.1
103.05470	2.3
105.06155	2.4
106.97971	0.9
107.08608	1.6
108.08109	2.3
109.02201	1.1
109.02883	11.7
109.06519	2.2
109.10147	0.9
110.01274	2.3
110.03177	1.3
110.06023	2.9
110.08978	1.8
110.09676	20.8
110.97575	7.7
111.02914	2.4
111.04420	4.8
111.08050	1.9
111.98482	11.8
112.01014	2.6
112.04792	2.3
112.07613	26.4
112.08758	1.8
112.99133	2.0
113.00887	2.0
113.08450	4.1
113.96381	2.2
113.98602	1.3
114.04291	1.1
114.05531	28.8
114.06308	0.9
114.09175	7.4
115.00645	1.2
115.02435	1.2
115.03200	1.6
115.03934	3.6
116.07104	9.1
116.10738	11.4
116.98632	12.1
117.03983	1.2
118.00912	1.0
118.06544	2.8
119.01864	20.3
119.08549	1.2
120.01970	1.6
120.03432	2.2
120.08106	3.7
121.01599	2.3
121.06445	1.7
124.07601	1.0
124.11221	2.0
125.09639	11.2
126.09142	2.1
127.03914	8.9
127.07008	1.0
127.57207	7.5
128.02361	6.4
128.04268	2.6
128.05304	4.4
128.07071	7.8
128.10727	9.3
128.98592	10.9
129.05504	2.4
129.99518	5.8
130.06537	25.3
130.08626	4.6
130.09740	3.1
131.00160	2.0
131.01862	4.0
131.96140	2.6
131.97433	1.9
131.99687	0.9
132.02008	2.2
132.03444	1.5
132.04420	23.4
132.06570	1.1
132.08063	2.8
132.95834	30.3
133.01698	1.8
133.03418	2.9
134.99602	4.1
135.03139	1.1
137.02942	1.2
138.09129	15.5
138.12762	10.5
139.07567	1.5
139.09914	1.3
141.51732	1.0
142.12250	2.1
143.00166	1.9
143.01903	6.2
143.05467	1.1
144.03418	1.9
144.10190	0.9
144.98061	1.9
145.01700	2.1
145.03427	3.9
146.03603	1.5
146.06023	2.3
146.09550	1.2
146.99651	8.7
147.01440	0.9
147.03125	1.0
149.03023	1.0
149.97223	1.7
150.96890	42.5
151.04330	3.2
153.03038	1.0
153.05823	2.1
154.02106	1.6
154.03799	2.0
155.01924	2.0
155.97429	11.9
156.06494	5.3
156.10196	79.5
156.13832	44.4
156.15157	1.7
156.98019	1.6
157.03467	4.8
157.05548	1.5
157.07640	9.6
157.10719	1.3
158.06015	29.8
158.09404	1.8
158.99689	5.7
159.00804	0.9
159.05020	1.3
161.01244	2.5
161.02945	4.3
161.04552	2.0
161.06583	2.8
162.03641	1.8
162.99120	2.2
163.02797	2.6
163.04425	1.6
165.00644	1.1
169.03427	2.3
173.01227	2.2
173.02930	3.1
173.98505	12.4
174.06009	5.7
174.07635	3.3
174.09378	5.3
174.11259	31.7
174.12653	8.7
174.14900	62.2
174.99152	11.7
175.02777	1.5
175.04475	2.5
175.08679	5.9
175.11906	5.4
177.00706	4.8
177.04361	1.4
179.02280	1.8
179.07605	1.0
182.99568	1.1
184.00098	1.1
185.02950	3.0
193.00221	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	174.0762
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
51.86202	0.9
53.03947	1.0
55.01859	2.2
55.05498	2.4
56.05022	3.4
56.96564	2.4
57.03432	6.4
57.07068	1.2
60.04531	41.7
61.02944	1.1
68.05025	6.0
68.13324	1.0
69.03432	16.7
69.61115	2.0
69.61530	4.6
71.04980	1.3
72.04507	1.4
72.93749	1.5
81.07051	2.1
82.06573	1.1
83.04987	2.4
84.04514	30.3
84.05296	2.2
85.02901	14.0
86.06055	3.6
87.04477	1.9
91.05474	5.9
93.07010	1.4
95.08585	1.2
96.04507	15.2
97.02898	100.0
98.06048	1.3
98.98473	16.1
101.05991	1.3
102.05553	6.8
105.07014	3.4
111.04437	1.7
112.04743	2.5
114.05537	35.9
115.03949	10.8
115.05505	1.0
117.07034	1.5
118.04123	1.2
118.06541	2.5
118.07381	1.4
119.08566	4.7
122.03757	1.1
126.05515	1.6
127.57475	1.1
128.07097	1.5
131.08566	2.0
132.06563	3.3
132.08060	4.4
132.08940	2.3
133.10120	3.9
135.60794	1.0
136.58026	4.6
138.05479	1.9
144.08028	1.6
145.08798	1.3
145.58562	2.7
146.06027	3.1
146.10506	1.6
148.47238	1.2
151.58554	2.4
156.06517	3.3
158.09647	1.2
159.08054	1.1
159.10400	1.2
174.05434	2.0
174.07620	73.7
174.12601	11.5
174.18504	2.5
175.07532	2.3
175.11192	3.3
175.14801	4.9
183.23318	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.9
55.01864	1.1
55.05508	3.1
56.05033	1.4
56.96566	3.3
57.03431	1.1
58.06606	1.0
59.05005	1.0
59.40254	0.4
61.02945	0.9
67.05512	1.8
68.05028	1.2
69.03425	2.5
70.06595	100.0
71.05012	1.0
71.11686	0.7
72.04514	1.0
72.08154	0.7
73.02911	1.2
74.97568	0.5
79.05492	1.1
80.05025	1.3
81.03432	1.5
81.05811	0.5
81.07056	0.7
82.02942	0.6
82.03752	0.6
82.06590	1.3
83.05003	3.5
83.07362	0.6
84.04508	1.9
84.08154	3.6
85.02910	2.1
86.06064	0.5
87.04430	0.5
89.07159	0.6
93.07087	0.6
94.06562	1.3
95.08611	5.5
96.01542	0.4
96.06883	0.5
96.08130	10.5
97.02931	1.3
97.06598	0.9
97.07220	1.8
97.72144	0.5
98.01334	0.5
98.06049	2.7
98.07974	0.8
98.09689	1.4
98.97603	3.5
98.98481	3.2
99.04490	0.8
99.05581	4.4
100.03982	0.9
101.00893	1.3
101.01575	0.5
101.06029	1.4
107.00464	0.8
108.01675	0.7
108.04483	0.6
108.08135	0.8
109.04018	0.5
109.06443	0.7
110.03232	1.2
110.06008	0.7
111.04466	2.6
111.05592	0.6
112.03922	1.1
112.07610	3.6
112.11246	31.5
114.09172	33.9
115.00178	1.1
115.09558	0.5
116.05016	0.5
116.07117	0.9
116.95834	0.5
116.98636	2.0
119.01917	2.0
121.01650	0.8
121.17672	0.6
126.02586	0.5
126.05529	4.0
126.06402	0.4
126.07454	2.2
126.09158	4.1
127.03962	2.1
127.05047	9.4
127.07027	0.6
128.03461	1.3
128.10738	1.3
128.98637	0.7
130.00713	2.0
130.12302	0.9
131.01894	1.1
134.00966	0.5
134.99657	1.0
136.07605	0.6
140.00626	0.8
140.04204	0.7
140.10718	0.8
142.03519	0.5
142.54900	0.5
143.01918	0.6
145.03458	0.6
149.01180	0.8
154.02115	0.9
154.05013	2.1
154.08665	1.0
154.12257	3.1
155.04588	0.8
155.07031	1.7
156.97498	1.8
161.03008	1.1
172.06044	1.6
172.07919	3.6
172.09679	2.8
172.13330	26.1
173.02957	0.6
173.05615	1.9
173.08052	2.3
174.98630	1.0
185.02951	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1333
Annotation	gabapentin
Peak:m/z	Relative Intensity
51.63462	0.3
53.03944	0.9
55.01868	3.0
55.05251	0.7
55.05511	12.1
55.33487	0.4
56.05052	0.5
56.96564	2.1
57.03442	1.0
58.02961	15.2
58.06597	0.8
59.05008	1.0
61.02919	0.5
67.05502	2.9
68.05025	0.4
69.03425	1.4
69.07073	2.4
70.06594	5.2
71.04995	1.4
71.60134	0.4
71.65385	0.3
72.04530	0.7
72.93794	2.4
73.02905	0.5
75.02705	0.9
79.05492	0.9
81.03413	0.9
81.07059	6.6
82.03759	1.2
83.04979	5.6
83.08614	1.0
84.08144	7.7
85.02929	1.1
85.06553	0.5
87.04512	0.4
90.90382	1.2
90.94858	2.1
91.05482	0.7
93.07012	0.4
94.02708	0.4
95.04934	0.6
95.08601	4.9
97.02903	1.0
97.10173	5.4
98.06068	2.4
98.09682	1.1
98.97594	2.6
100.07644	0.7
101.06005	2.7
103.03239	0.5
107.95094	0.5
108.01662	0.8
109.02907	0.7
109.06498	0.4
109.10147	0.8
110.03217	1.6
110.09711	0.6
111.04436	5.0
112.07609	100.0
112.11226	2.8
113.06001	0.8
113.07953	1.2
114.09171	1.3
116.04966	0.7
116.98624	2.4
119.01830	0.6
122.41242	0.4
123.08067	1.8
126.02734	0.9
126.05498	0.6
126.09148	3.4
126.12813	2.9
127.03881	0.6
127.07550	1.0
128.04243	1.0
128.10730	2.6
129.05453	1.2
129.06372	0.4
130.08640	0.5
130.62408	0.4
130.96321	0.7
131.08617	0.5
131.32896	0.4
131.92975	0.6
134.99580	0.6
137.06209	0.4
140.04189	0.6
144.08125	0.9
148.97346	0.8
149.94054	1.0
149.96098	0.9
153.97940	0.5
154.02144	1.4
154.08629	1.6
154.12265	8.7
155.07047	3.5
161.02824	0.4
167.97189	0.9
172.06175	0.6
172.07558	2.0
172.09677	1.8
172.13327	59.6
173.05832	0.4
173.08115	4.3
173.13541	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.5
56.05025	0.4
56.96566	1.3
57.01122	0.3
58.06590	0.6
61.02911	0.5
67.05509	1.7
69.03439	1.1
69.07065	0.4
70.06596	100.0
70.70837	0.3
70.71774	0.5
70.72107	0.8
71.06932	0.5
81.03414	0.8
83.07369	0.9
84.08154	1.2
85.02918	1.7
95.08611	4.0
97.02904	1.8
98.96428	0.3
98.97583	1.3
99.04460	0.4
109.02857	0.4
109.10146	0.4
110.97583	0.6
111.04443	0.4
112.11252	33.6
116.98687	0.5
127.03922	4.6
130.12288	1.0
138.97903	0.3
158.99687	0.3
164.98605	2.3
172.13332	13.5
173.08035	0.5
182.99667	5.2
188.72624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1168
Annotation	4,6,8-Trimethylazulene
Peak:m/z	Relative Intensity
53.03960	0.7
55.01880	0.5
55.05522	1.8
57.03443	0.7
67.05499	1.0
69.03436	0.8
69.07074	1.5
69.43609	3.4
69.88350	0.4
71.05009	1.0
72.04515	2.9
79.01900	0.4
79.05501	2.3
81.03416	3.3
81.07040	2.0
83.04968	1.0
83.08624	1.0
85.06565	0.4
89.07163	1.8
91.05443	1.0
93.07056	0.6
95.08623	0.7
97.06532	1.4
98.20729	0.6
105.07047	2.1
107.01327	3.9
107.08610	1.0
109.02877	4.3
109.10149	0.8
111.04440	0.6
115.05464	1.6
125.02366	2.9
125.09603	0.7
127.03925	3.7
128.06221	7.3
129.07011	4.3
130.07809	0.5
135.11765	0.5
139.03917	0.5
140.59019	0.4
141.06992	20.5
142.07797	5.1
143.08572	17.7
145.06451	0.5
153.01807	4.0
153.06975	1.0
153.09055	0.6
153.12784	0.5
155.08557	5.8
155.74071	0.4
156.09352	100.0
157.09669	1.9
169.10110	0.5
171.02913	1.2
171.11694	62.4
171.14838	1.5
172.12112	1.0
175.85541	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.029
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02385	1.2
53.03947	5.9
55.01868	7.0
55.05521	1.5
56.05032	0.9
56.96572	6.5
57.03428	1.1
58.37999	0.6
61.02909	0.9
65.03946	1.7
66.70899	0.7
66.71590	0.5
68.99789	1.5
69.03432	7.4
70.04237	1.2
70.04650	1.9
70.06593	2.0
71.05022	0.7
72.04520	2.1
73.02924	1.3
79.01852	8.9
81.03417	70.9
82.03751	0.8
83.01342	1.1
83.05002	0.8
84.04507	0.9
84.08154	1.0
85.02885	0.9
85.04911	0.6
85.85582	0.7
89.07174	1.8
96.02104	3.8
96.06878	5.5
96.08139	0.8
97.02893	9.1
97.07642	1.1
98.97595	4.4
99.04472	1.0
101.00911	3.5
106.99750	0.8
107.01319	75.6
109.02879	100.0
110.03229	1.0
110.97588	3.2
111.04452	4.0
113.00875	1.2
113.07902	0.7
114.05573	1.6
114.09160	0.9
115.05855	1.0
116.98631	1.5
119.01925	5.1
125.02357	55.8
125.07110	4.6
125.07915	0.9
125.10768	0.8
126.02678	0.7
127.03917	79.1
128.04298	0.8
128.98625	3.3
131.01897	1.8
133.03366	0.6
134.59058	0.7
135.00775	10.7
135.06355	5.3
137.03452	2.3
139.00244	6.6
139.03922	4.7
143.01863	0.9
143.03407	3.0
143.05341	1.3
146.99675	1.4
147.05078	1.1
153.01831	79.7
153.07420	7.8
153.11070	0.7
154.02184	1.4
157.01320	1.8
157.03484	1.1
160.04695	0.8
170.99644	0.8
171.01367	1.1
171.02878	22.0
171.07562	6.0
171.11237	1.3
171.14923	1.3
172.13402	0.7
173.03017	0.8
175.04475	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.029
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02382	1.3
51.60644	0.9
53.03948	5.3
55.01871	4.5
55.05510	4.1
56.96577	2.3
57.07091	0.8
59.05011	1.3
65.03933	1.1
67.05503	1.6
69.03436	7.5
69.07069	4.0
69.07410	1.0
69.13322	0.9
69.48943	1.8
69.49354	4.4
71.04993	1.4
72.04514	9.6
79.01855	9.9
79.05501	2.5
81.03423	70.1
81.07082	2.0
83.08621	4.3
85.02918	1.0
89.07152	7.2
93.07056	3.4
95.04948	1.2
95.08614	2.1
96.02100	3.7
97.02899	5.5
97.06552	2.6
98.97578	1.7
105.07047	1.0
107.01324	74.1
107.08601	4.3
109.02884	100.0
109.06488	1.2
109.10152	2.0
110.03242	2.0
111.04414	2.6
111.08080	2.2
115.05442	1.5
120.03934	0.9
125.02361	60.8
125.07929	4.0
125.09660	1.0
127.03923	80.6
128.04276	1.6
128.06201	4.4
129.07059	1.6
135.00798	9.1
135.11697	2.5
137.03477	2.6
139.03918	3.5
141.06987	3.7
143.03400	1.6
143.08545	7.1
146.73607	0.8
153.01837	82.4
153.07352	2.9
153.12785	1.3
154.02164	1.5
155.08640	1.4
156.09355	15.8
165.04738	0.9
171.02896	28.1
171.08109	2.6
171.10214	1.5
171.11688	13.2
171.14920	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	171.0289
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02386	1.3
53.03949	7.8
55.01867	3.3
55.05512	1.6
58.59762	0.9
61.15517	1.1
69.03421	4.2
69.51357	3.9
69.51782	4.8
76.61043	1.0
79.01868	7.0
81.03423	68.6
83.78931	1.0
86.41685	1.0
89.07205	1.2
96.02103	2.4
97.02905	7.0
98.97582	2.6
107.01324	76.0
109.02886	100.0
110.03214	2.5
125.02362	53.6
127.03925	75.6
128.06210	1.4
135.00777	9.7
137.03468	2.2
141.07007	2.2
143.03416	2.2
143.08542	5.0
153.01837	85.7
156.09343	12.6
166.72607	1.1
171.02901	19.3
171.11702	8.4
186.79375	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	0.8
53.03944	6.6
55.01859	3.3
55.05503	3.3
56.96561	1.2
57.03414	1.0
57.07085	0.8
59.04993	0.8
62.80273	0.8
65.96487	0.7
67.05502	1.4
69.03440	5.0
69.07056	2.8
71.61583	1.1
72.04524	7.4
74.01223	0.8
79.01859	9.2
79.05498	0.9
81.03421	70.2
81.07054	1.8
83.04968	1.4
83.08624	2.5
85.02919	0.7
87.93734	0.7
89.07162	5.5
91.05463	1.3
93.07046	3.5
95.08611	3.7
96.02117	4.3
97.02895	5.9
97.06545	1.0
98.97588	1.7
99.04443	1.0
99.44112	0.8
107.01320	78.0
107.08599	5.5
109.02882	100.0
109.06528	1.7
109.10117	1.7
110.03210	1.7
111.04449	2.4
111.08092	1.9
115.05412	1.6
125.02361	58.4
125.07902	1.5
127.03921	80.3
128.04283	1.6
128.06233	3.0
129.07018	1.2
135.00778	8.5
135.11713	3.0
137.03471	3.4
139.03882	2.0
141.06993	2.5
142.07796	1.1
143.03416	2.2
143.08553	3.8
152.06201	0.8
153.01834	85.3
154.02162	1.2
155.08609	1.1
156.09323	9.1
171.02899	21.8
171.04309	1.0
171.08115	2.0
171.11655	7.4
171.14960	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	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02377	1.8
53.00306	0.9
53.03947	7.4
54.07150	1.0
54.67448	1.1
55.01866	4.1
55.05508	1.7
62.35359	1.0
63.52467	1.0
67.05483	2.7
69.03423	5.2
69.07069	1.8
69.45348	7.8
70.06608	4.6
72.04504	5.9
79.01859	10.0
79.05475	1.7
81.03416	68.7
81.07044	1.3
82.03733	1.6
83.04987	1.6
83.08604	3.0
86.09708	0.9
89.07143	4.2
93.07132	0.9
95.08598	3.7
96.02124	4.9
97.02902	6.5
97.06521	1.9
98.21495	1.9
107.01317	79.7
107.08569	4.4
109.02881	100.0
110.03241	1.2
111.04435	3.2
111.08102	1.2
112.07592	4.0
116.40963	0.9
125.02354	60.6
126.05505	1.4
127.03918	82.0
128.06221	1.8
135.00763	10.2
137.03484	1.8
143.08592	1.2
153.01833	85.8
153.09125	2.0
154.02151	1.7
154.12263	4.2
156.09238	1.4
171.02904	21.8
171.10272	1.3
171.11597	1.7
171.14963	2.5
172.13321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0288
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02381	1.0
52.49791	0.7
53.03952	6.7
55.01871	2.9
55.05513	3.5
56.96559	1.3
58.56329	0.7
60.44790	0.9
61.02840	0.8
69.03429	6.0
69.07050	2.1
69.58367	3.2
69.58792	2.6
72.04520	9.0
73.02308	0.9
79.01850	9.6
79.05486	1.5
81.03422	64.7
82.03745	1.0
83.08599	2.3
89.07152	5.7
95.08630	1.1
96.02128	4.4
97.02895	5.3
107.01322	75.8
107.08623	0.8
108.01637	1.0
108.79036	0.7
109.02883	100.0
110.03257	1.7
111.04456	2.2
111.08160	1.0
115.05433	1.1
125.02359	56.3
125.09660	1.0
127.03919	75.7
128.06229	4.8
129.07019	2.4
135.00774	7.9
137.03479	2.4
141.06996	5.1
142.07724	1.7
143.03375	2.5
143.08553	7.4
153.01836	81.7
153.12714	0.8
154.02133	1.6
155.08577	1.3
156.09358	17.7
166.82022	0.8
171.02901	19.3
171.07991	1.1
171.11697	14.1
171.14940	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	170.0812
Annotation	Pyridoxine
Peak:m/z	Relative Intensity
53.03947	0.7
55.01882	1.1
55.05521	0.6
56.05033	1.9
56.96564	6.2
57.02422	0.3
57.03443	1.1
58.06606	0.4
61.02926	0.9
66.03477	1.1
67.05504	0.6
68.05026	0.5
69.03427	2.1
70.06595	1.0
70.40038	1.4
70.98096	0.4
71.04996	0.8
73.02928	0.7
74.97610	0.4
79.05515	1.9
80.05025	0.8
81.03414	3.0
81.07043	0.6
82.06599	1.1
83.01348	0.4
83.04996	0.4
84.04507	4.9
84.08148	2.9
85.01413	0.8
85.02924	1.7
87.00827	0.4
89.00780	0.6
90.69539	0.3
91.05517	0.4
93.07047	2.0
94.06552	0.9
95.04955	0.8
95.07364	1.1
95.08604	0.8
96.04482	0.6
96.06888	0.8
96.08133	5.9
96.08744	0.5
97.02898	2.3
97.99164	0.7
98.03193	0.9
98.97598	2.6
99.04475	0.4
100.02483	0.8
100.99145	0.4
101.00898	0.9
102.00993	0.4
103.02450	1.4
106.06567	1.4
107.01292	2.4
109.02879	4.4
110.06058	0.6
110.09687	0.8
110.97578	1.4
111.08064	0.4
112.06899	0.6
112.07610	6.3
112.99139	1.9
113.02360	0.4
113.99405	0.4
114.05536	8.7
115.02473	0.6
116.01208	0.3
116.98618	0.8
117.03909	0.4
119.01896	1.3
121.04250	0.5
123.06838	0.6
123.47034	0.4
124.04014	0.3
124.07601	8.0
124.11231	0.8
124.30309	0.4
125.02366	1.9
125.07126	0.8
127.03931	3.4
128.98605	1.7
129.00334	0.7
129.03091	0.4
131.00211	1.9
131.01842	0.4
131.03671	0.4
132.00519	0.6
132.05084	0.4
133.03455	0.9
134.06013	69.9
135.06357	0.6
136.06200	0.5
139.00296	0.6
142.03773	0.5
142.05000	8.3
142.08635	1.4
145.01691	0.5
146.99660	0.9
147.01431	2.2
147.03175	1.0
147.05017	2.7
149.01215	0.6
152.07068	100.0
152.10449	1.8
153.01822	2.9
153.07370	1.7
153.11461	0.6
157.03400	0.4
170.03018	1.2
170.04520	0.5
170.06750	0.7
170.08112	14.6
170.11766	11.7
171.02811	0.6
175.02710	0.3
177.04398	0.5
178.55130	0.4
188.07664	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
54.03456	0.2
55.01865	0.6
55.05507	0.6
56.96571	2.0
57.03438	0.2
57.07069	0.3
58.06597	0.8
59.04992	0.2
60.95845	0.2
65.03946	0.9
67.05502	1.4
68.05035	2.0
68.99794	0.4
69.03419	0.6
69.07060	0.4
69.70499	1.0
70.06593	1.3
71.04998	0.3
72.08131	0.2
73.02923	0.2
79.05501	2.1
79.05956	0.2
80.05025	0.3
81.03425	1.4
81.05804	1.2
81.07059	0.9
82.06564	0.2
82.13364	0.1
83.04977	0.7
83.08641	0.2
84.04503	0.2
84.08152	0.4
84.96033	0.2
85.02897	0.6
85.05141	0.2
85.06532	0.2
85.94601	0.2
93.03397	0.6
93.07053	0.5
94.06573	2.4
95.01324	0.4
95.04987	0.9
95.06100	0.5
95.08613	0.7
96.08134	100.0
97.02892	0.7
97.06524	0.2
97.08454	1.0
98.03668	0.4
98.97582	0.8
99.04429	0.3
102.96870	0.2
103.95611	0.3
105.07051	0.4
106.06510	0.2
107.04953	0.2
109.02888	2.7
109.06522	0.6
109.10151	0.2
110.06049	0.5
110.07159	1.1
110.97545	0.2
111.00811	2.0
111.04467	1.5
111.08060	0.2
112.07618	0.4
113.02399	0.2
113.03486	0.2
113.05944	0.2
114.05538	0.3
116.98619	0.4
119.01825	0.5
121.08433	0.4
121.71319	0.1
123.00821	1.6
123.04474	1.1
123.08105	0.5
123.09129	0.3
123.11697	0.2
124.04703	0.2
124.07607	0.6
124.11240	0.5
125.06053	0.4
125.11561	0.2
126.03145	3.3
126.04071	0.2
126.07770	2.1
127.03920	0.6
127.09418	0.2
127.13235	0.2
128.02342	0.3
128.04327	0.2
128.98682	0.2
134.06044	1.3
136.05086	0.2
138.09117	0.2
141.01888	0.2
141.05473	7.3
142.08594	0.3
151.03928	0.5
151.11264	0.1
151.20163	0.2
152.05807	0.3
152.07060	2.5
152.10712	0.8
154.02635	0.5
155.03349	0.2
155.05330	1.3
156.28546	0.2
158.99652	0.2
163.97723	0.2
168.98152	0.2
169.01436	0.3
169.03516	0.3
169.04993	3.1
169.06657	0.2
169.07066	0.2
169.08554	0.4
169.09785	0.2
169.13200	1.9
170.05737	0.2
170.08144	0.5
170.09492	0.3
177.00684	0.2
177.89665	0.1
187.02725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
53.03942	3.4
55.01854	2.1
55.05514	13.7
55.34129	1.5
57.03445	7.3
57.07076	21.9
59.04989	5.0
65.03943	9.0
65.99421	1.2
67.01855	1.4
67.05169	2.8
67.05506	48.8
68.91922	1.3
68.99773	2.4
69.03433	43.5
69.06763	1.6
69.07072	19.4
70.72598	4.0
70.72924	1.8
71.04634	2.5
71.04994	32.8
73.06543	1.6
78.95655	1.4
79.05497	11.9
81.03424	6.6
81.07060	73.3
83.04984	19.3
83.08620	4.2
85.02898	5.6
85.06546	100.0
91.05473	6.9
93.03415	3.1
93.07048	10.8
95.04964	16.8
95.08617	20.3
97.06537	9.6
99.04455	8.1
99.08090	4.8
105.07030	8.6
107.08588	13.8
109.02872	8.7
109.06525	92.3
109.10160	69.5
111.00792	4.0
111.04501	7.0
111.08083	17.3
113.06008	16.8
121.10146	22.3
123.04444	4.2
123.08075	21.8
123.11717	69.1
125.06012	3.2
125.09625	5.1
126.03149	7.5
127.03903	2.3
133.10120	7.4
139.11168	22.8
141.05467	22.1
141.07047	1.7
151.03961	8.9
151.07596	8.9
151.10100	1.1
151.11182	32.7
169.05008	13.5
169.07542	9.2
169.09978	3.3
169.12248	75.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1223
Annotation	(6E)-8-Hydroxygeranial
Peak:m/z	Relative Intensity
50.15647	1.5
53.02426	1.8
53.03937	2.3
55.01853	2.0
55.05518	10.0
55.32571	1.3
56.80122	1.4
57.03437	7.2
57.06815	2.0
57.07072	21.6
57.17850	1.6
58.91677	1.5
59.04985	7.0
63.09246	1.5
65.03927	6.1
67.05506	45.9
68.99778	2.5
69.03068	2.7
69.03430	50.9
69.07067	17.7
70.64626	1.5
70.64951	2.7
71.04634	2.1
71.04993	27.6
71.75732	1.8
73.06543	2.7
75.29359	1.6
79.05499	14.7
81.03403	3.5
81.07056	71.9
83.04984	19.0
83.08611	4.8
85.02897	6.2
85.06544	100.0
91.05478	5.0
93.03393	2.2
93.07049	10.9
95.04978	18.8
95.08601	21.1
97.06532	8.9
98.03674	2.3
99.04461	7.5
99.08088	5.7
105.07019	9.8
106.69466	1.5
107.08588	13.4
109.02865	5.0
109.06520	82.1
109.10158	67.8
109.10912	3.0
111.00801	4.0
111.04441	5.3
111.08082	19.5
113.06005	14.8
121.10147	31.4
123.04406	2.4
123.08086	19.7
123.11710	79.3
124.12067	2.1
125.09620	4.2
126.03120	7.7
127.07577	2.4
133.10133	5.3
136.08888	2.7
138.10413	1.6
139.11169	23.8
141.05461	13.9
141.06465	1.9
141.06952	2.0
151.03902	4.9
151.07538	6.2
151.11174	34.1
169.04990	9.4
169.07536	10.9
169.12239	82.7
170.12596	2.2
185.25336	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0496
Annotation	3-HYDROXY-4-METHOXYBENZOIC ACID
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	1.2
55.05489	2.1
56.96564	0.7
57.03437	1.5
57.07060	0.8
65.03929	1.7
67.01518	1.2
67.01869	18.7
67.05502	8.3
68.99791	4.8
69.03423	1.5
69.07065	2.5
70.06576	0.7
71.04993	2.8
71.60493	0.8
79.05492	2.3
81.03410	2.9
81.07057	9.1
83.04968	2.5
85.02914	12.1
85.06541	2.2
87.00832	0.6
91.05479	1.1
93.03420	0.9
93.07027	1.9
95.04980	8.9
95.08614	6.9
97.06573	0.8
99.04443	1.6
99.08055	0.8
105.07039	2.3
107.08585	2.0
109.02865	5.8
109.06524	32.1
109.10186	4.1
111.00805	4.8
111.04444	2.2
111.08075	3.8
113.06041	1.0
122.42028	0.7
123.04437	33.6
123.08083	3.4
123.11731	3.0
124.04703	1.1
125.05919	0.6
126.03155	5.3
127.03923	16.7
128.56230	0.7
133.10144	1.5
141.05473	12.4
141.07036	1.2
151.03914	62.1
151.07516	5.1
151.11172	3.4
152.04297	1.3
154.02573	0.8
169.04973	100.0
169.07385	13.1
169.09967	1.1
169.12250	1.8
170.05379	2.0
170.08151	0.7
170.09642	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1384
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
52.75060	0.8
55.05504	3.0
56.05026	2.5
59.35726	0.9
60.04287	0.7
60.04527	6.5
65.03942	0.8
67.05505	39.9
69.07057	1.0
69.59138	5.3
70.06583	3.6
71.18953	0.7
72.04509	1.9
76.57399	0.8
79.05479	1.1
81.07076	5.0
84.08144	94.8
98.20824	1.6
99.04436	0.9
108.05415	0.9
108.08949	1.0
109.02905	1.1
109.10159	30.0
126.09158	53.6
126.12798	46.5
133.12189	1.0
133.75920	0.8
141.05554	1.0
168.13844	100.0
169.07591	6.3
169.14247	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1382
Annotation	4-Epimyrtine
Peak:m/z	Relative Intensity
53.03946	0.8
55.01872	1.2
55.05505	2.4
56.05045	1.1
56.41956	0.5
56.96571	15.5
57.03430	3.1
58.06596	2.6
58.99854	0.6
61.02921	1.4
65.03936	0.9
67.05507	3.0
67.92525	0.5
68.05022	1.5
69.03431	4.0
69.07059	1.4
69.57136	3.5
70.06587	2.4
71.04980	1.9
71.95256	0.6
73.02921	2.6
73.06567	0.9
79.05478	1.9
80.00243	0.7
80.05018	1.2
81.01019	0.6
81.03433	3.1
81.07051	1.1
82.06580	5.4
82.94839	1.3
83.00778	1.0
83.72778	0.6
84.08135	1.2
84.96025	1.0
85.02903	4.8
90.01547	0.8
91.00533	1.1
91.05469	0.8
92.04995	0.7
93.07050	1.1
94.06565	7.8
95.06073	1.4
96.01553	1.3
96.04507	0.8
96.08121	5.2
97.02886	5.7
97.07632	0.6
97.08929	5.5
97.99148	0.6
98.09692	16.1
98.21457	1.1
98.97587	10.4
99.04446	2.5
100.02471	1.9
100.99184	0.6
101.00862	1.5
103.00593	1.5
105.02098	0.9
105.07009	2.8
106.06548	2.4
107.08610	1.2
108.01535	0.7
108.08116	1.2
109.02886	2.4
110.01278	1.9
110.06011	0.6
110.07181	4.4
110.09681	11.2
110.60086	0.7
110.97581	1.9
111.01996	0.5
112.01021	3.8
112.99125	6.4
115.02387	1.8
116.98627	3.2
117.02122	0.7
119.01810	4.8
120.02007	0.9
120.08089	1.2
121.01614	3.9
121.08900	1.3
122.06046	5.9
122.09686	4.5
123.97443	1.2
124.03954	0.7
124.11233	38.4
125.12041	8.4
126.05553	0.8
126.12796	55.5
126.97080	0.8
127.00681	0.7
127.02438	1.2
127.03894	1.2
127.13115	0.8
128.02304	4.7
128.98589	2.1
131.00169	4.4
131.01909	1.7
132.08090	0.6
133.03505	1.4
133.10127	0.8
135.03159	0.8
135.10422	2.4
139.09911	1.1
140.03372	0.6
140.07022	0.6
140.10696	2.9
141.05469	0.6
142.01797	0.7
143.00163	1.3
143.01881	1.3
144.03262	1.2
144.98090	2.9
144.99838	0.7
145.01718	1.3
145.03474	5.1
148.11244	0.7
148.32001	0.6
149.01245	1.6
149.04849	0.6
150.05511	41.2
150.12782	51.7
151.05908	0.7
151.13123	0.8
154.04979	4.5
155.00229	0.7
155.01880	0.7
156.07672	1.0
158.99634	1.2
162.04309	0.7
162.95868	1.2
162.99144	1.2
163.02658	1.0
163.04530	2.1
168.03763	0.8
168.05084	1.3
168.06392	4.1
168.10155	2.4
168.13843	100.0
169.04636	0.6
169.14252	1.2
173.01259	1.5
177.00681	0.8
186.03075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04013	0.4
55.05574	0.3
56.96337	0.5
56.96649	2.9
57.03498	0.3
58.06678	0.2
67.01938	0.2
67.05564	0.4
68.05091	0.2
69.03510	0.7
69.07152	0.6
70.06634	0.3
71.05068	0.3
71.44794	0.3
72.67348	0.2
73.02980	0.3
79.05563	0.4
80.05021	1.3
80.05888	0.2
81.03500	0.8
81.07124	0.3
82.06634	0.2
84.04607	0.2
84.08189	0.3
84.96094	0.2
85.03001	0.6
89.00809	0.2
91.00591	0.2
92.05009	10.7
94.06652	0.6
95.01412	0.5
95.05053	0.4
96.04546	0.3
96.08141	1.9
97.02980	0.6
97.06590	0.4
97.08993	0.2
98.06120	0.2
98.09766	0.8
98.97595	1.2
100.99211	0.2
108.04489	3.2
108.08149	0.3
109.02943	0.7
110.01334	0.2
110.06084	0.3
110.07240	0.3
110.09757	0.7
111.00852	0.3
111.02138	0.2
111.04478	0.2
112.07666	0.5
115.00719	0.2
116.98668	0.3
119.01907	0.3
121.01684	0.4
122.06071	0.8
122.09698	0.4
123.04420	0.3
124.03993	0.2
124.11239	1.2
126.03201	0.4
126.05552	0.4
126.09180	0.4
126.12782	1.5
126.97163	0.2
127.00674	0.2
127.03961	0.3
128.98622	0.3
131.00145	0.2
134.00539	0.2
136.03943	6.6
136.11253	0.7
136.55266	0.2
140.03435	0.4
140.04356	0.3
140.07047	0.5
140.10736	0.3
141.05457	1.2
142.34819	0.2
144.95876	0.2
144.98137	0.4
145.01712	0.2
145.03549	0.4
150.05521	1.1
150.12776	1.6
154.04994	100.0
155.05356	1.4
156.03345	3.8
161.04807	0.3
162.95760	0.2
162.99104	0.3
163.02771	0.4
163.04460	0.2
168.06544	10.7
168.10185	0.6
168.13844	6.2
169.04884	0.4
174.03021	0.3
174.04391	4.0
186.04428	1.0
188.07539	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	Piquerol A
Peak:m/z	Relative Intensity
53.03951	5.1
55.01868	10.7
55.05514	9.4
57.03434	1.8
59.04991	1.5
64.12864	0.9
65.03924	3.3
66.04729	1.3
67.05503	14.0
69.03419	3.7
69.07059	3.7
69.44436	3.1
69.44858	4.7
71.04975	2.6
72.82846	0.9
77.03940	2.0
78.04721	11.3
79.05494	69.3
81.03400	1.9
81.07053	8.0
83.04986	8.3
83.08600	2.3
85.02932	1.1
85.06542	1.5
88.35093	0.9
91.05478	26.2
93.07046	49.3
94.07376	1.0
95.04978	7.9
95.08613	4.3
96.49384	0.8
97.06548	7.7
97.10194	1.0
103.05499	1.7
105.03409	1.9
105.04487	2.0
105.07032	45.3
106.04169	4.7
107.04957	7.8
107.08598	100.0
108.08956	0.9
109.02847	2.1
109.06530	8.1
109.10157	3.3
111.04436	2.2
111.08097	2.1
116.06241	2.5
118.47969	0.8
119.06060	1.3
119.08571	5.3
121.01668	3.8
121.06503	12.7
121.10143	33.4
122.03632	1.1
123.04432	20.9
123.08098	4.9
123.11702	1.3
124.05236	6.7
125.05992	2.0
125.07963	1.0
125.09612	3.2
129.07033	1.7
131.08571	37.7
133.06520	1.1
133.07623	1.2
134.03661	1.1
134.35420	0.9
135.04440	1.4
137.05952	1.5
137.09625	14.2
139.03922	4.0
139.07555	4.0
139.11177	1.2
144.03276	2.8
149.02313	1.4
149.09622	72.6
150.09982	1.3
151.03923	3.5
152.04709	4.4
167.03384	3.2
167.07048	74.1
167.10674	26.4
167.14275	2.1
168.07378	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0929
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11668	0.2
56.05050	0.3
56.51169	0.2
58.90841	0.2
69.03455	0.2
70.19561	1.1
72.11782	0.2
75.84674	0.2
79.05502	0.4
82.06571	0.3
83.06112	0.4
84.05634	2.2
85.03998	0.4
93.07053	0.3
107.08606	0.3
108.05668	0.3
109.06573	0.2
109.07662	0.4
121.10162	0.3
124.05192	0.4
124.08713	0.3
125.08249	100.0
126.06631	0.4
126.08601	0.8
139.07574	1.1
139.08478	0.2
149.02357	0.3
167.07063	0.6
167.09288	5.1
167.10635	0.4
167.12943	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	167.0704
Annotation	3-Ethoxy-4-hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.10678	0.5
52.09099	0.5
53.03952	3.0
55.01883	2.4
55.05513	6.3
56.96547	1.3
57.03435	1.3
57.07062	1.8
59.04993	1.8
65.03938	2.5
66.04716	0.9
67.05508	4.4
68.99796	0.7
69.03439	5.2
69.07065	2.5
71.04977	0.6
71.60227	0.6
73.02913	1.9
74.69751	0.5
77.03935	1.0
78.04719	14.5
79.05498	15.6
81.03417	1.3
81.07058	6.7
83.04990	14.2
83.08611	1.1
84.96037	1.0
85.02918	1.4
85.06547	0.7
91.05492	6.1
93.03421	1.4
93.07046	11.3
94.04192	0.8
95.04977	5.8
95.08617	3.5
96.05743	1.4
97.02899	1.5
97.06535	5.8
97.10187	0.6
98.09709	0.6
98.97579	1.7
99.04486	0.6
103.00652	2.3
103.05488	0.9
105.03386	1.2
105.04508	1.5
105.07027	5.7
106.04189	5.4
107.04972	5.1
107.08598	13.9
108.05729	0.6
109.02917	2.3
109.06525	5.3
109.10157	2.1
111.04449	3.7
111.08075	1.8
116.98618	0.6
119.04980	1.0
119.08590	1.1
120.02089	0.7
121.01680	7.8
121.02866	27.3
121.06516	5.5
121.08414	0.6
121.10144	13.1
122.03701	0.7
123.04436	27.0
123.08018	2.6
123.11717	0.7
124.05223	9.2
124.11270	0.6
125.05992	1.8
125.09638	3.7
125.11571	1.3
131.08589	1.6
134.03645	1.1
135.04402	1.7
137.05994	1.5
137.09619	1.0
138.03116	0.7
139.02740	2.8
139.03908	9.6
139.04979	0.5
139.07567	4.4
139.09499	0.9
139.11182	2.5
143.58760	1.1
144.03218	5.3
144.08591	0.8
149.02377	2.5
149.05998	6.3
149.09612	6.0
151.03923	6.3
152.04692	5.4
155.09550	0.6
158.99599	0.6
160.96042	0.5
162.04317	1.4
167.03476	3.5
167.07047	100.0
167.10712	4.9
167.12617	15.8
167.14156	0.7
168.07385	1.5
168.10258	0.5
177.00941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
52.03144	0.3
53.03939	1.2
55.01848	0.4
63.18259	0.3
63.54899	0.3
65.03940	0.9
66.04727	0.8
67.05491	0.5
70.65479	1.0
77.03931	1.0
78.04717	14.6
79.05125	0.4
79.05500	3.3
81.03431	0.8
81.07048	1.1
85.02899	0.6
91.05465	0.6
93.03402	0.5
94.04173	0.8
95.04967	1.9
96.05788	0.6
105.03406	0.9
106.04180	7.3
107.04945	1.3
109.02875	1.2
109.06491	0.5
111.04394	0.5
111.08070	0.4
118.26119	0.3
120.02088	0.7
121.01687	1.4
121.02886	0.8
122.03681	1.8
123.04433	29.3
124.05232	7.1
134.03633	1.0
135.04387	1.0
137.05974	1.2
138.03165	0.6
139.03922	0.6
139.07434	0.5
144.03265	0.7
149.02327	0.5
150.03098	0.6
151.03937	5.9
152.04686	5.5
167.07045	100.0
168.07352	1.7
174.45285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0703
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03949	5.8
62.29640	0.8
63.52870	0.7
65.03925	3.0
66.04726	8.9
68.99795	0.8
69.03427	2.4
69.37767	0.7
70.04994	1.5
70.05403	2.7
72.08888	0.8
77.03923	7.0
78.04710	1.8
79.05495	20.1
81.07040	5.3
82.33614	0.9
84.96036	12.3
91.05492	7.4
92.82654	0.7
94.04192	15.0
95.04979	5.7
96.05740	1.2
96.45443	0.8
103.00628	1.4
104.05038	1.2
105.03392	1.9
105.04512	1.7
107.04962	2.7
107.87889	0.9
108.05741	7.5
109.02872	0.8
109.06525	72.5
110.06801	0.8
111.08092	1.5
121.01675	2.1
123.04404	1.5
124.05258	3.9
125.06010	1.8
135.04420	3.9
137.05981	37.2
139.07539	9.1
144.03256	2.2
150.22356	0.8
155.05766	1.2
155.07039	24.0
167.07047	100.0
168.07381	1.8
176.62515	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0704
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
51.02389	0.7
53.03949	5.5
56.96579	0.8
65.03943	1.8
66.04723	7.4
67.01891	0.6
67.05490	1.0
67.30058	0.5
68.99809	0.6
69.03444	3.2
69.40729	1.3
69.41129	3.0
77.03931	6.8
78.04716	1.4
79.05494	18.2
80.40568	0.6
81.03413	0.8
81.07063	5.1
83.01425	0.6
84.96043	1.6
91.05475	4.1
93.07056	1.0
94.04189	16.3
95.04981	4.8
101.73974	0.5
103.00632	1.4
105.03417	2.7
105.04522	2.0
107.04951	2.4
108.05756	3.2
109.06522	81.4
110.06857	1.0
111.04433	0.6
115.14867	0.5
121.01665	1.9
122.03658	1.0
123.04433	2.0
124.05222	2.7
125.05957	0.7
135.04419	1.7
137.05980	36.0
138.06265	0.6
139.07556	6.0
144.03232	1.6
152.04697	0.8
155.07037	23.8
165.06966	0.8
167.07045	100.0
168.07394	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.1228
Annotation	Ferruginine
Peak:m/z	Relative Intensity
54.18929	0.2
55.05496	0.3
56.05032	0.3
67.05481	0.2
69.53268	0.5
69.53687	0.9
79.05486	0.6
81.07047	0.4
82.06568	0.6
91.05506	0.3
93.07043	0.4
94.06590	0.2
95.01328	0.2
95.04942	0.3
96.08138	3.6
98.97525	0.3
107.08604	0.4
108.08118	1.2
110.06030	0.4
112.15949	0.2
119.01952	0.5
119.08592	0.3
120.02008	1.0
120.08102	0.9
121.10138	0.4
122.09638	0.8
123.08059	0.3
123.10422	0.4
124.11235	11.5
125.11556	0.3
133.08855	0.3
137.08369	0.6
138.09131	0.9
143.03639	0.8
144.03217	0.3
148.11206	3.4
149.09627	0.3
151.09949	0.5
151.47456	0.2
162.92787	0.2
166.12280	100.0
167.07053	0.7
167.12617	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	166.0864
Annotation	L-Phenylalanine
Peak:m/z	Relative Intensity
51.02365	0.2
52.95863	0.2
70.26784	0.6
74.83282	0.2
77.03925	0.3
79.05492	1.2
91.05471	0.9
93.07041	2.2
98.97569	0.3
103.05471	11.3
107.04964	2.3
120.08108	100.0
121.08446	1.2
131.04927	2.0
149.05984	0.3
166.08620	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.164
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
51.18202	0.7
53.03931	2.4
53.47138	0.7
55.01846	1.4
55.05512	14.5
56.96554	1.2
57.03437	5.0
57.07058	2.4
61.02920	4.2
65.03937	3.2
67.05505	75.6
69.03072	1.0
69.03429	19.6
69.07067	9.3
70.23890	2.1
71.04984	2.3
73.02903	1.4
79.05491	9.5
81.03396	3.5
81.07057	74.9
82.91972	0.8
82.99828	2.3
83.04974	7.9
83.08591	4.0
85.02906	7.9
91.03912	0.9
91.05482	20.2
93.07058	7.9
95.04973	7.3
95.08607	100.0
96.08958	0.9
97.10142	1.1
99.04438	2.4
100.02487	0.9
101.00258	1.2
101.00887	17.9
105.03420	1.0
105.04510	0.9
105.07026	7.3
107.04929	0.9
107.08572	6.3
109.06534	7.7
109.10158	69.3
110.09705	1.6
110.10469	1.5
111.04423	2.8
117.07013	1.1
119.01928	40.4
119.04942	33.9
119.08582	8.7
120.01962	0.8
120.08101	1.5
121.06458	1.3
121.10144	3.8
122.07269	1.2
123.04423	2.2
123.08075	7.1
123.11715	18.0
124.02450	3.0
128.97818	1.0
129.05479	1.5
129.06934	0.8
133.02824	1.7
137.03003	8.6
137.05977	2.6
137.09613	6.9
137.13208	1.7
138.09120	3.4
142.03499	25.9
143.03574	1.1
147.04416	62.8
147.08020	2.9
147.11661	3.9
148.04733	1.5
160.04539	5.4
165.01785	1.1
165.05479	5.1
165.07527	2.1
165.09102	9.3
165.12767	8.3
165.16388	9.1
166.04994	1.4
166.08597	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1639
Annotation	1-Ethenyl-1-methyl-4-(1-methylethylidene)-cyclohexane
Peak:m/z	Relative Intensity
53.03948	1.1
55.05513	5.6
57.03447	1.2
57.07082	5.8
61.02914	0.9
65.03937	1.5
67.05506	43.9
69.03442	4.1
69.07071	9.5
70.12119	0.5
71.08650	3.9
71.08968	0.9
71.61531	0.6
71.61902	0.6
76.37248	0.5
78.46050	0.5
79.05494	3.2
81.07058	35.6
83.04974	2.2
83.08630	4.1
85.02910	2.3
85.10162	1.4
87.43215	0.5
91.05477	10.2
93.07034	3.5
95.04972	1.3
95.08608	69.6
96.08939	0.9
97.10181	1.0
99.04474	0.6
103.15500	0.6
105.07026	1.2
107.08598	3.9
109.10158	100.0
110.10478	1.4
111.04429	0.9
115.13909	0.6
119.01908	2.2
119.04947	14.0
119.08595	0.9
121.10164	1.0
123.08069	2.0
123.11713	27.3
129.05476	0.7
137.05984	0.7
137.09593	1.1
137.13237	1.3
142.03461	0.7
147.04413	26.5
147.11658	1.1
149.09647	1.3
150.10397	6.8
165.05568	1.0
165.06967	1.2
165.12756	31.5
165.16396	12.5
166.13133	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03964	2.1
55.01880	2.6
55.05511	7.8
56.96560	1.1
57.03437	7.5
57.07085	2.4
61.02929	6.0
65.03945	2.8
67.05505	17.9
67.94542	0.7
69.03436	24.0
69.07075	4.6
70.95296	1.8
71.04993	2.2
71.08641	1.3
73.02924	1.2
79.05486	7.6
81.03421	5.2
81.07057	20.2
83.04980	10.3
83.08620	1.9
85.02913	9.8
88.58125	0.8
91.05483	36.7
93.07044	10.4
94.04209	1.2
95.04968	10.8
95.08608	22.0
99.04480	4.2
101.00885	14.1
103.05470	0.8
105.07030	12.4
105.92463	0.7
107.04966	2.1
107.08601	10.3
109.06520	20.0
109.10153	17.4
111.04456	3.9
117.06984	1.6
119.01281	0.7
119.01926	34.1
119.04944	50.8
119.08583	19.7
119.14194	0.7
119.97279	0.9
120.05251	1.3
120.08076	0.8
121.10151	20.4
122.07294	7.3
123.04448	2.3
123.08064	11.8
123.11732	6.8
124.02457	2.5
124.11203	1.0
128.97899	1.0
129.05470	2.8
133.06517	1.1
135.08078	2.8
137.03000	6.3
137.05994	3.2
137.09618	86.7
137.98314	0.9
138.09938	0.9
142.03511	22.7
143.03656	1.2
145.10126	0.8
147.04413	100.0
147.11670	7.1
148.02205	1.3
148.04745	1.8
150.10457	4.1
151.92928	0.8
160.04546	5.6
161.02991	0.7
163.37236	0.7
165.01819	1.2
165.05399	2.3
165.07658	1.5
165.09082	7.0
165.11360	1.6
165.12753	33.5
165.16420	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03948	4.4
53.16236	0.5
54.96247	0.6
55.01863	1.0
55.05514	8.6
56.96566	0.9
57.03439	6.2
57.07091	3.6
59.04989	2.3
60.16735	0.6
61.02934	3.9
65.03934	2.5
67.05508	28.4
69.03435	37.4
69.07071	10.1
71.04997	2.1
71.61203	0.8
73.02905	0.9
79.05492	8.2
81.03424	22.2
81.07062	33.8
83.04990	8.4
83.08609	1.4
85.02909	7.2
85.06522	1.2
91.03970	0.7
91.05486	24.4
92.05832	0.7
93.07048	5.9
94.04170	0.8
95.04975	15.6
95.08609	39.4
96.08915	1.0
97.06532	1.1
99.04453	2.5
101.00884	11.9
103.05459	1.0
105.07043	11.7
107.04964	1.4
107.08598	7.9
108.05713	1.2
109.06527	18.1
109.10165	19.0
110.07310	1.9
111.04466	2.9
111.08069	0.7
112.52155	0.6
117.07012	1.5
119.01929	29.0
119.04948	32.2
119.08587	12.5
120.08085	0.9
121.06491	1.7
121.10156	7.7
122.07282	1.7
123.04448	2.0
123.08073	24.1
123.11715	15.8
124.02450	1.8
124.11267	0.7
129.05431	1.7
133.02834	0.7
133.07645	0.6
135.08061	1.1
135.11679	0.8
136.07629	1.0
137.02998	5.7
137.06068	2.9
137.07935	5.4
137.09616	8.5
137.13283	3.2
142.03505	18.0
147.04413	56.6
147.08002	1.6
147.11699	7.6
148.04771	1.6
150.10368	1.1
160.04594	3.4
160.05766	0.6
165.01828	0.7
165.05428	1.5
165.07535	1.8
165.09119	9.4
165.12761	100.0
165.16454	1.8
166.13077	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07059	0.5
51.86777	0.5
53.03946	3.5
54.95852	0.5
55.01854	0.8
55.05512	5.5
56.96563	0.9
57.03436	3.0
57.07079	2.7
59.05000	1.0
61.02917	1.9
65.03943	3.1
67.05505	17.2
69.03065	1.0
69.03431	18.5
69.07067	5.8
69.63515	3.7
71.04994	1.2
73.02930	0.6
79.05488	4.8
81.03419	12.3
81.07058	20.0
82.99837	0.6
83.04979	4.3
83.08614	1.2
85.02905	3.8
91.03936	0.7
91.05480	30.2
92.05833	0.6
93.07043	4.4
95.04967	9.3
95.08608	20.9
96.08937	0.9
98.21530	0.5
99.04481	0.9
101.00333	0.7
101.00889	6.6
103.03950	0.5
103.05500	0.7
105.04557	0.6
105.07037	6.6
107.04936	1.4
107.08589	5.4
109.06522	8.8
109.09438	1.0
109.10154	12.0
110.07308	1.0
111.04452	1.0
111.08100	0.6
117.07034	1.0
119.01122	1.0
119.01932	14.1
119.04945	54.6
119.08584	10.1
120.05272	1.0
121.06504	1.2
121.10146	4.0
122.07295	2.5
123.04435	1.9
123.08065	11.9
123.11699	9.5
124.02444	1.3
133.02821	0.7
133.06512	1.0
135.07974	0.6
135.11601	0.6
137.03008	2.5
137.05986	1.9
137.09628	11.2
137.13266	2.2
142.03508	10.4
146.31023	0.6
147.04410	100.0
147.11688	3.5
148.04744	1.7
160.04578	1.8
165.05452	2.1
165.07732	0.6
165.09108	12.4
165.12758	56.2
166.13100	1.4
180.53047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03945	2.7
55.01863	1.6
55.05511	6.3
57.03442	8.2
57.07080	6.9
59.04985	4.1
61.02908	2.0
65.03938	2.8
67.05508	38.5
69.03427	16.0
69.07073	10.2
69.43849	9.9
71.04997	2.5
77.75470	1.1
79.05107	1.5
79.05495	15.5
81.03426	2.1
81.07057	34.1
81.70107	1.1
81.86748	1.1
83.04982	6.0
83.08630	2.9
85.02882	3.4
91.05483	23.4
93.07038	8.9
94.07359	1.1
95.04972	54.1
95.08605	34.0
95.17088	1.0
96.05282	1.1
97.06530	1.2
99.04493	1.3
101.00873	2.4
103.05437	1.5
105.07035	17.7
107.04968	6.4
107.08598	49.0
108.05783	1.3
109.06517	27.8
109.10165	5.0
110.07304	2.2
117.07024	4.2
119.01926	4.8
119.04978	6.5
119.08580	41.1
119.09427	2.4
121.06489	2.1
121.10158	11.5
122.07302	1.3
123.08076	45.4
123.11704	26.6
129.07021	2.6
132.05692	4.7
136.08786	1.4
137.05988	1.4
137.09613	5.4
137.12350	2.5
137.13283	6.9
142.03479	4.4
145.10103	1.4
147.04404	10.2
147.08047	17.1
147.11703	9.3
165.09067	7.0
165.12762	100.0
166.13126	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	165.0912
Annotation	Ethyl phenylacetate
Peak:m/z	Relative Intensity
53.03955	0.6
55.01892	1.4
55.05511	4.4
56.96589	1.5
57.03437	5.5
61.02930	4.9
65.03926	2.1
65.61057	0.4
67.05503	13.8
67.70174	0.4
69.03428	21.6
69.07094	0.5
69.84370	0.4
71.04990	2.5
71.61320	0.8
73.02925	1.2
75.04513	0.4
78.77046	0.4
79.05493	4.3
81.03417	3.6
81.03819	0.4
81.07055	8.3
82.01464	0.6
82.43962	0.5
82.99877	0.7
83.04977	8.5
83.08645	0.5
84.54113	0.5
85.02903	9.5
87.04475	0.6
91.04014	1.0
91.05480	33.9
93.03371	0.4
93.07056	2.8
94.04203	0.7
95.04974	6.5
95.08612	6.2
99.04445	4.0
100.02482	0.8
101.00883	11.2
101.02576	1.4
102.00999	0.5
103.03970	0.9
103.05483	1.1
105.07027	9.4
107.04954	1.2
107.08596	3.3
109.06528	4.0
109.10153	14.5
111.04455	3.9
117.07040	1.2
118.03564	0.6
119.01241	0.6
119.01923	35.5
119.04943	50.6
119.08582	11.0
119.97327	1.5
120.01994	0.8
120.05259	0.8
121.06537	1.0
121.10160	1.7
122.03628	0.8
122.07294	5.7
123.04428	1.9
123.08092	2.6
123.09995	1.2
123.11722	1.1
124.02475	1.9
124.11222	1.3
128.97816	1.3
129.05498	2.1
133.02855	1.3
133.06482	4.9
137.02992	8.4
137.05980	7.5
137.09616	24.5
137.13223	0.6
140.48642	0.8
142.03502	23.2
143.03589	0.7
147.04408	100.0
147.08034	1.8
147.11656	1.4
148.04732	2.0
160.04539	5.9
165.01866	1.3
165.05501	3.2
165.07588	2.6
165.09103	46.7
165.12738	4.9
166.04926	0.5
166.09451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.3
55.01863	4.3
55.05301	1.1
55.05514	14.9
56.05027	2.8
57.03179	1.9
57.03441	30.0
61.02931	23.2
65.03939	2.7
66.05715	1.0
67.05495	4.4
68.05014	2.4
68.98215	1.2
69.03435	100.0
69.07094	1.0
69.93826	2.2
69.94221	2.6
71.01346	1.3
71.04997	9.6
73.02928	8.4
75.04473	1.3
75.57166	1.1
79.05494	1.8
80.05027	1.2
81.03419	16.4
81.04528	4.8
81.07060	3.7
82.04052	1.0
83.02467	13.5
83.04987	37.7
83.06090	8.2
85.02910	43.1
87.04453	3.6
91.03961	4.5
91.05486	10.3
91.60694	1.1
93.07033	1.8
95.04996	5.3
95.06075	3.3
95.08587	2.7
96.05612	1.6
96.29878	1.1
98.07182	2.3
98.21486	1.2
99.04457	19.1
101.00921	1.1
103.03930	3.6
105.07037	1.7
107.05009	1.6
107.06080	5.3
107.08622	1.3
109.06542	2.0
109.10117	2.9
110.07114	1.1
111.04460	17.1
117.05479	3.4
119.01931	4.2
119.04938	11.3
119.08569	3.2
121.06477	1.0
122.07159	4.5
122.68505	1.0
123.04450	1.4
123.06658	4.6
123.07978	16.8
123.08943	1.3
124.05109	5.9
124.06159	1.0
124.07440	1.7
124.08723	28.2
124.09612	1.3
124.11260	1.4
125.09494	2.3
129.05501	10.5
133.02863	2.2
137.05972	3.4
137.09592	2.7
138.06589	1.6
138.10252	1.5
142.03482	4.4
147.04436	17.8
147.06531	7.6
147.08012	1.4
148.08688	2.1
155.11690	1.2
165.01801	2.4
165.05504	5.0
165.07622	13.4
165.09058	6.6
165.11336	5.4
165.12755	3.1
165.13921	1.2
166.09784	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	165.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82117	3.0
55.01839	4.0
55.05513	20.5
56.01396	6.4
56.05019	4.2
57.03442	30.0
61.02935	25.7
63.55950	3.1
64.87701	3.3
65.70497	3.5
69.03065	6.6
69.03432	100.0
69.58064	10.8
69.58474	10.5
70.99908	2.9
71.04982	10.7
73.02911	9.5
81.03411	15.0
81.04510	4.1
83.02464	34.0
83.04990	32.0
83.06100	8.1
85.02913	46.0
91.03947	4.0
91.05477	12.4
95.04973	12.0
95.06061	3.9
95.08609	5.0
98.20679	5.4
99.04452	14.3
101.95550	3.8
107.06145	3.3
111.04446	12.3
119.04951	10.9
123.06726	3.5
123.07946	18.0
124.05070	4.8
124.08730	19.1
147.04408	11.1
165.07693	9.5
165.09021	5.7
165.11336	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	165.0759
Annotation	D-rhamnopyranose
Peak:m/z	Relative Intensity
53.03952	2.3
55.01872	3.4
55.05513	10.6
56.96572	0.7
57.03439	25.2
59.04988	0.8
61.02930	21.5
65.03938	1.5
67.05511	1.0
69.03432	84.4
70.02505	1.8
70.02899	1.0
70.99863	1.0
71.01353	1.5
71.04990	7.7
73.02922	7.0
74.02422	0.7
74.45669	0.6
75.04495	2.0
79.05833	0.6
81.03419	12.4
82.01434	0.8
82.99839	7.0
83.04984	33.0
85.02908	36.4
87.04465	2.7
91.03960	3.8
91.05505	0.7
95.04974	1.7
97.02910	0.8
99.04460	14.8
100.02501	1.3
101.00887	54.6
102.00970	1.4
103.03947	3.9
103.43156	0.6
109.33984	0.5
111.04449	15.6
117.05486	1.7
119.01926	100.0
119.04940	2.0
120.02048	2.3
120.08081	0.6
123.04461	2.9
124.02454	11.8
124.11166	0.8
127.03919	0.8
129.05508	9.3
131.32423	0.6
137.02969	13.2
142.03506	68.2
143.03664	2.2
147.04433	1.7
147.06523	5.4
151.53600	0.6
160.04564	11.7
165.05171	1.5
165.07579	7.8
167.01830	0.8
170.02867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0759
Annotation	L-Rhamnofuranose
Peak:m/z	Relative Intensity
53.03941	4.0
55.05518	14.5
57.03442	27.0
58.23980	1.7
61.02930	22.2
67.05524	3.0
69.03436	100.0
69.75033	8.6
71.05004	10.1
73.02916	6.9
75.04525	1.9
75.71415	2.2
81.03430	11.5
82.64356	1.9
83.02480	18.4
83.04987	35.4
83.06117	3.7
85.02418	2.6
85.02914	45.8
87.04447	2.1
91.03944	6.0
91.05465	7.6
95.04969	5.1
99.04452	15.2
103.03913	3.5
108.63630	1.9
109.10157	2.4
111.04459	16.4
117.05495	2.1
119.04993	10.0
119.08626	2.9
122.07185	2.9
123.06599	3.3
123.07977	10.8
124.05079	3.4
124.07494	2.3
124.07914	2.1
124.08738	16.7
129.05463	6.9
142.03639	1.9
147.04445	10.4
147.06490	6.1
147.12424	1.8
148.08585	2.0
165.07654	8.6
165.08977	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	165.0759
Annotation	L-Rhamnofuranose
Peak:m/z	Relative Intensity
53.03944	2.9
55.01865	4.2
55.05519	13.9
57.03443	27.5
61.02930	22.0
63.90298	2.3
67.05501	5.6
69.03065	5.2
69.03433	100.0
69.33779	10.2
69.34213	12.4
71.04987	10.3
71.62553	2.8
73.02905	6.0
79.05500	3.0
81.03445	16.0
81.07059	4.9
82.06584	2.7
83.02460	18.2
83.04977	36.5
83.06105	5.5
84.05396	2.3
85.02908	42.7
87.04485	3.9
91.03931	6.4
91.05479	8.3
93.07037	4.4
95.04958	16.0
95.08582	4.5
99.04470	18.8
101.06027	2.7
103.03953	3.9
107.08586	3.9
109.10202	3.0
111.04453	17.5
118.57101	3.6
119.04948	9.9
119.08575	3.3
122.07173	2.3
123.06647	2.7
123.07965	12.2
124.05069	3.3
124.08719	10.3
124.11252	2.6
129.05501	9.6
137.06023	3.5
137.09631	3.2
147.04398	11.4
147.06567	4.3
148.08784	3.3
160.10768	2.6
165.07631	15.0
165.09065	7.5
165.11249	4.7
165.12711	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0759
Annotation	L-Rhamnofuranose
Peak:m/z	Relative Intensity
53.03941	2.5
55.01866	3.5
55.05513	12.9
57.03442	27.5
59.04983	1.1
61.02639	1.4
61.02930	23.4
65.03942	1.8
67.05508	1.4
69.03434	100.0
69.94512	4.5
71.01354	2.1
71.04993	11.7
71.67043	0.8
73.02929	8.0
75.60666	0.9
79.05498	0.8
81.03423	12.2
82.99851	1.8
83.04985	36.5
85.02909	45.8
87.04461	3.1
90.07568	1.0
91.03965	5.8
91.05472	4.2
95.04968	3.0
99.04465	19.5
101.00890	9.3
103.03971	4.6
111.04450	17.1
117.05485	2.0
119.01925	18.5
119.04946	8.5
123.04430	3.5
124.02454	2.3
129.05498	10.5
137.02942	3.2
142.03525	12.6
147.04436	10.5
147.06523	7.9
160.04584	2.6
165.05525	1.5
165.07582	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	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
55.01609	0.2
55.01870	1.9
55.05511	4.7
56.96568	2.2
57.03437	6.7
57.07071	0.4
61.02931	5.4
65.03930	2.7
67.05156	0.6
67.05506	9.4
68.99771	0.3
69.03429	25.2
69.07066	1.2
71.04977	1.9
71.73583	0.3
73.02914	2.3
75.15993	0.4
77.03942	0.4
79.05494	3.7
81.03426	4.2
81.07056	7.7
82.99854	0.8
83.04982	10.0
85.02904	11.0
87.04465	1.0
91.03942	1.2
91.05480	33.2
93.07045	2.8
95.04975	7.1
95.08604	6.6
97.06470	0.4
99.04466	3.7
100.02478	1.2
101.00881	12.1
101.02537	0.8
103.03965	0.9
103.05491	0.5
105.03382	0.4
105.04507	0.3
105.07031	5.1
107.04955	1.2
107.08587	2.8
109.02853	0.3
109.06513	3.4
109.10149	8.2
109.10900	0.4
111.04432	3.9
117.05509	0.6
117.07001	0.7
119.01925	38.2
119.04943	56.3
119.08572	6.9
119.97350	1.5
120.02042	0.7
120.05276	0.9
120.08115	0.4
121.06502	1.2
121.10143	2.1
122.03661	0.4
122.07304	1.8
123.04446	2.4
123.08070	2.6
123.11711	1.5
124.02435	2.2
124.11214	1.2
128.97838	2.0
129.05493	3.0
129.07005	0.4
131.48059	0.4
133.02837	2.0
133.05580	0.4
133.06516	0.5
137.02969	9.6
137.05960	2.6
137.09619	11.0
137.98338	1.0
138.09142	1.1
140.48642	1.1
142.03502	23.8
142.96681	0.6
143.03633	0.9
147.04408	100.0
147.11685	2.7
148.04761	1.5
160.04561	7.6
165.01842	0.9
165.05406	4.9
165.07024	10.1
165.09120	16.7
165.12756	6.5
165.13911	0.7
165.16347	0.3
166.07309	0.4
166.08549	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.0
55.01870	0.5
55.05514	3.3
56.96555	0.4
57.03438	3.8
61.02925	1.6
65.03944	1.9
67.01861	0.9
67.05504	6.0
68.87914	0.3
69.03062	0.6
69.03427	9.9
69.07082	0.8
70.58316	1.1
71.04990	1.3
73.02927	0.5
79.05489	3.1
81.03411	2.1
81.07058	5.8
82.99857	0.5
83.04975	5.3
83.08606	0.3
84.05390	0.3
85.02903	4.1
91.05481	29.4
92.05814	0.7
93.07037	1.3
94.04192	0.4
95.04970	4.0
95.08609	6.5
99.04430	1.8
101.00881	6.4
101.02571	0.4
103.05480	0.8
105.03365	0.4
105.07040	2.7
107.04950	0.6
107.08554	1.9
109.02870	1.1
109.06541	1.8
109.10145	4.9
111.04427	1.5
119.01933	15.4
119.04942	54.5
119.08569	4.8
120.02036	0.6
120.05241	0.7
121.06550	0.6
121.10149	1.1
122.03703	0.3
122.07306	0.6
123.04461	2.5
123.08054	2.4
123.11698	1.2
124.02486	1.0
124.11250	0.4
128.97849	0.4
129.05475	1.3
133.02849	0.7
133.06444	0.4
136.42049	0.3
137.02994	3.4
137.05981	1.1
137.07936	1.1
137.09590	5.3
137.13240	0.4
142.03494	10.1
147.04407	100.0
147.11703	1.4
148.04747	1.1
160.04608	2.4
165.01865	0.5
165.05478	2.3
165.07520	1.2
165.09117	4.6
165.12772	4.6
165.14059	0.5
165.16425	0.5
166.37744	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
52.61981	0.5
53.03936	1.0
55.01877	0.8
55.05508	2.7
56.96556	1.0
57.03438	4.5
61.02931	2.4
65.03941	2.4
66.04111	0.4
67.05502	8.4
69.03429	12.1
69.07066	0.6
70.79774	0.4
71.04997	1.4
73.02927	0.7
79.05495	2.3
81.03416	2.1
81.07050	5.3
82.99840	0.6
83.04987	6.2
85.02908	4.8
91.03947	1.1
91.05479	28.5
92.05835	0.5
93.07040	1.8
95.04962	5.0
95.08595	4.0
98.21526	0.6
99.04447	2.7
100.02498	0.5
101.00874	8.6
101.01556	0.5
101.02557	0.7
103.03920	0.5
103.05452	0.6
105.07045	1.8
107.04963	0.9
107.08594	1.8
108.82141	0.4
109.06528	1.6
109.10146	8.7
111.04436	2.4
119.01922	21.8
119.04941	53.2
119.08581	6.0
119.97308	0.6
120.01988	0.8
121.06539	1.0
121.10133	0.8
121.54104	0.4
122.07287	3.7
123.04420	2.5
123.08091	1.4
123.11693	0.8
124.02420	1.9
124.11174	0.5
126.61760	0.4
127.03109	0.6
128.97867	1.2
129.05473	1.6
133.02835	0.9
137.02988	4.0
137.05986	1.3
137.09613	14.3
142.02400	0.8
142.03508	15.2
147.04408	100.0
147.11667	1.1
148.04742	1.8
160.04558	3.8
165.01855	0.6
165.05588	2.2
165.09113	28.8
165.12773	2.7
165.16339	0.4
170.10616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03949	0.5
55.01872	0.2
55.05510	0.5
56.96563	0.4
57.03441	1.0
58.61375	0.2
61.02928	0.9
65.03937	1.7
67.05511	1.4
69.03435	4.1
71.05013	0.3
71.20161	0.5
73.02902	0.3
75.75714	0.2
79.05498	0.6
81.03442	0.7
81.07056	1.3
83.04984	1.5
85.02933	1.5
91.05486	27.2
92.05796	0.3
93.07043	0.6
95.04970	2.3
95.08598	0.8
99.04447	0.7
101.00896	2.3
103.05473	0.3
104.89603	0.2
105.04568	0.3
105.07031	0.5
107.08617	0.5
109.06539	0.6
109.10166	0.7
111.04451	0.4
119.01936	5.0
119.04949	53.1
119.08559	1.2
120.05288	0.7
121.10128	0.3
123.04443	1.3
123.08069	0.5
124.02470	0.3
129.05508	0.4
133.02873	0.3
137.02954	1.0
137.06017	0.4
137.09607	1.4
142.03513	3.5
147.04416	100.0
147.11693	0.5
148.04736	1.8
160.04561	0.7
165.05486	1.3
165.07631	0.4
165.09106	2.8
165.12764	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02382	0.3
52.20617	0.2
53.03947	0.6
55.01866	0.4
55.05506	1.9
56.96574	0.7
57.03433	1.9
61.02918	1.6
65.03944	2.1
67.05505	3.4
69.03429	8.2
69.07068	0.5
69.33710	0.9
69.34142	1.3
71.04999	0.7
73.02912	0.7
79.05493	1.1
81.03410	1.4
81.07072	2.3
82.99837	0.3
83.04984	3.8
85.02905	3.1
91.05480	29.4
92.05831	0.4
93.07039	1.6
95.04964	2.9
95.08599	1.8
97.65327	0.3
98.20720	0.6
99.04456	1.3
100.02451	0.2
101.00884	4.7
101.02558	0.7
103.03925	0.4
105.07017	1.5
107.04946	0.4
107.08599	1.2
108.07764	0.3
109.06529	1.5
109.07927	0.2
109.10155	2.7
111.04463	1.3
117.05573	0.3
119.01929	11.4
119.04943	51.2
119.08588	2.3
120.05283	0.8
121.10156	0.9
122.07307	0.7
123.04441	1.8
123.08062	0.9
123.10017	0.5
123.11732	0.4
124.02473	0.5
124.11234	0.2
128.97887	0.6
129.05504	0.8
133.02879	0.5
137.02975	3.1
137.05966	0.9
137.09605	4.7
142.03499	8.9
147.04407	100.0
147.11694	1.0
148.04738	1.5
160.04552	1.7
161.73773	0.2
165.01849	0.5
165.05504	2.2
165.06764	0.4
165.07686	0.6
165.09088	6.1
165.12746	2.8
165.13948	0.4
177.10834	0.3
184.72878	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03938	0.8
55.01885	0.3
55.05513	2.0
57.03424	1.2
57.07082	0.4
61.02920	1.0
65.03938	1.9
67.05510	4.0
69.03433	5.8
69.07070	1.0
70.88828	0.6
71.04987	0.6
77.03947	0.3
79.05509	1.2
80.29438	0.3
81.03432	1.5
81.07067	3.9
82.99838	0.3
83.04986	2.0
83.08621	0.3
85.02904	1.6
91.05488	27.3
93.07049	1.0
95.04974	2.9
95.08611	4.0
99.04470	0.4
101.00896	3.0
105.04501	0.3
105.07042	1.8
107.04985	0.4
107.08610	1.6
109.06530	1.9
109.10151	2.8
111.04456	1.0
117.07001	0.2
119.01944	5.9
119.04951	54.7
119.08576	2.1
120.05287	0.8
121.10181	0.5
123.04459	1.7
123.08060	2.8
123.11746	1.6
124.02551	0.3
127.07559	0.4
129.05472	0.3
137.02975	0.6
137.05936	0.6
137.09657	2.8
137.10635	0.4
137.11070	0.3
142.03496	4.0
147.04417	100.0
147.11667	1.1
148.04793	1.4
160.04552	0.8
165.05548	1.3
165.07727	0.4
165.09122	2.9
165.12764	7.3
165.14093	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03936	0.3
57.03446	0.4
64.64539	0.2
65.03938	1.6
69.03420	1.2
73.92525	0.3
81.03446	0.2
83.04984	0.5
85.02930	0.5
91.05483	24.9
92.05802	0.4
95.04980	1.3
98.20596	0.4
101.00876	0.5
103.05425	0.3
107.28960	0.2
111.04528	0.3
116.23731	0.2
119.01939	0.9
119.04946	52.1
120.05273	0.6
123.04419	1.4
137.06015	0.2
137.09627	0.2
142.03496	0.7
147.04413	100.0
148.04774	1.4
165.05502	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.7
55.01870	0.8
55.05505	1.0
56.70954	0.3
57.03432	1.9
59.66056	0.3
61.02925	1.2
65.03931	2.1
67.05508	1.2
69.03430	4.5
69.97558	1.2
71.04992	0.5
73.02919	0.3
75.59875	0.3
79.05491	3.6
81.03416	1.0
81.07054	0.9
82.99844	0.4
83.04984	1.7
85.02911	1.9
91.05482	31.4
92.05799	0.6
93.07049	1.0
95.04974	2.5
98.20815	0.4
99.04455	0.9
101.00875	2.4
103.05476	1.7
105.07032	13.7
107.05000	0.4
107.08590	0.3
109.06517	1.0
109.10145	0.7
111.04432	0.8
117.07001	0.4
119.01960	4.9
119.04943	54.9
119.08574	4.7
120.05310	0.6
120.08116	0.4
121.10098	0.4
122.03655	0.9
123.04438	2.4
123.08045	1.3
124.02405	0.4
124.05191	0.4
124.11196	0.3
129.05473	0.5
129.07021	0.3
133.02824	0.3
133.05463	0.4
133.06493	8.8
137.02960	1.0
137.05974	11.2
137.09631	0.8
142.03506	3.9
147.04408	100.0
147.07990	1.7
148.04758	1.4
148.51347	0.3
159.56163	0.3
160.04457	0.6
165.05489	2.1
165.07651	0.5
165.09090	4.3
165.13893	0.3
166.12384	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01857	0.4
55.05511	0.7
57.03439	1.0
61.02913	0.8
65.03937	1.6
67.05497	0.9
69.03429	3.7
69.07059	0.9
69.69727	1.6
71.05001	0.4
78.08427	0.2
79.05478	0.3
81.03413	0.9
81.07052	0.6
82.26218	0.2
83.04983	1.6
85.02898	1.1
91.05481	28.0
91.10811	0.3
92.05804	0.3
93.07055	0.3
95.04987	1.6
95.08610	0.8
98.97587	1.7
99.04472	0.5
101.00891	1.2
103.05472	0.4
105.07021	0.5
107.08580	0.3
109.06544	0.4
109.10149	0.5
111.04453	0.6
116.98634	0.5
117.07027	0.2
119.01994	2.4
119.04945	55.8
119.08564	1.4
120.05257	0.5
121.06529	0.5
123.04430	1.7
123.08066	0.7
129.05495	0.6
133.02795	0.3
137.02998	0.4
137.05981	0.6
137.09619	0.9
142.03523	1.5
147.04410	100.0
148.04729	1.4
152.10445	0.2
158.99641	0.5
160.04584	0.4
165.01903	0.3
165.05522	1.6
165.07713	0.4
165.09064	2.3
165.12685	0.3
165.13911	0.4
166.12308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
53.03945	0.5
55.01868	0.4
55.05511	1.4
56.96564	0.3
57.03439	2.5
61.02929	2.5
65.03944	1.8
66.68322	0.3
67.05511	0.8
67.49474	0.3
69.03434	8.5
70.65404	1.0
71.01397	0.4
71.04983	0.9
73.02913	0.8
79.05508	0.5
81.03442	1.8
82.99848	1.1
83.04976	2.8
85.02903	3.1
88.77185	0.3
91.05486	29.5
92.05820	0.4
93.07012	0.4
95.04977	1.8
95.08649	0.5
99.04464	1.5
101.00887	7.8
103.03948	0.7
105.07050	0.6
107.04994	0.4
109.06454	0.3
109.10183	0.3
111.04462	1.6
119.01936	18.0
119.04951	53.1
119.08604	1.2
120.05292	0.8
123.04456	2.1
124.02473	1.2
124.11270	0.5
129.05501	0.9
137.02992	2.8
137.06001	0.5
137.09593	0.5
142.02400	0.6
142.03511	12.9
143.03664	0.4
147.04417	100.0
148.04750	1.5
160.04585	2.4
165.01805	0.4
165.05504	1.6
165.07593	0.8
165.09003	0.6
165.12793	0.4
166.12302	0.6
175.26004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0548
Annotation	trans-3-Hydroxycinnamate
Peak:m/z	Relative Intensity
51.02379	0.4
53.03946	0.9
55.01874	0.5
55.05511	4.3
56.96563	0.6
57.03440	3.1
57.07079	0.5
61.02928	2.0
62.96005	0.4
65.03932	2.1
66.19529	0.4
67.05507	15.5
69.03433	8.8
69.07069	1.8
69.34285	2.4
69.34698	0.6
71.04978	0.9
71.08662	0.3
73.02913	0.7
79.05489	3.4
81.03422	1.6
81.07059	13.7
82.99856	0.4
83.04980	3.4
83.08627	1.0
85.02905	3.6
87.04477	0.4
91.05485	30.0
92.05824	0.7
93.07048	2.0
95.01271	0.4
95.04982	3.1
95.08608	18.2
98.20786	0.8
99.04459	1.5
100.02483	0.5
101.00880	6.3
103.05490	0.7
105.04530	0.3
105.07035	3.2
107.04935	0.7
107.08586	2.3
109.06522	2.6
109.10159	14.8
109.10915	0.7
111.04446	1.7
117.07053	0.6
119.01933	13.2
119.04946	52.4
119.08583	4.7
120.02036	0.4
120.05287	0.8
120.08102	1.1
121.06531	0.6
121.10139	1.1
122.02656	0.3
122.07288	2.5
123.04446	2.0
123.08069	2.5
123.11705	2.8
124.02455	0.8
124.11261	0.5
129.05490	0.7
132.05644	0.4
133.02840	0.7
133.06499	1.0
136.08856	1.1
137.02994	2.5
137.05992	2.0
137.08084	1.8
137.09616	20.6
137.13223	0.5
142.03513	9.4
147.04413	100.0
147.11723	1.2
148.04750	1.6
151.03905	0.3
160.04565	2.2
165.01820	0.6
165.05470	2.6
165.06984	0.5
165.07689	0.7
165.09108	10.2
165.12752	5.5
165.16417	1.9
166.05066	0.5
170.66487	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12213	1.0
51.60239	0.8
54.87703	0.8
71.09498	1.9
76.90573	0.9
82.99849	5.1
100.02482	1.3
101.00886	54.7
102.00961	1.0
118.03474	0.9
119.01925	100.0
124.02466	8.4
126.83820	0.9
136.39961	1.0
137.02963	16.2
142.03508	68.0
143.03671	1.6
160.04578	12.3
165.05231	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.051
Annotation	Unknow
Peak:m/z	Relative Intensity
60.11339	0.5
71.09075	0.9
73.30369	0.5
82.99838	8.1
100.02501	0.7
101.00885	57.4
102.00969	2.1
111.00422	0.6
116.30304	0.5
119.01922	100.0
120.02020	2.2
124.02454	8.7
137.02959	13.9
142.03503	65.9
143.03656	1.6
144.68452	0.5
159.83725	0.5
160.04559	9.3
165.05127	0.8
170.12724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.9859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.7
54.04271	1.5
55.01867	7.7
55.05510	11.4
56.96567	55.7
57.03176	1.7
57.03439	25.0
58.96166	1.3
59.05003	1.5
61.02639	1.4
61.02930	24.4
65.03930	2.5
67.05499	5.2
69.03429	100.0
70.03754	4.4
71.01337	2.0
71.04996	8.9
71.60364	1.5
71.95261	2.7
72.96053	1.8
73.02913	12.7
75.04469	1.5
79.05492	4.8
81.03418	20.1
81.04565	1.2
81.07056	4.3
82.03750	2.6
82.99834	2.3
83.04985	29.6
84.96025	3.1
85.02910	57.8
86.03236	4.3
87.04453	3.5
91.03948	6.1
91.05489	12.5
93.07049	3.0
95.04974	5.0
95.08588	3.3
97.02895	23.1
98.03236	8.0
98.97589	14.8
99.04465	16.4
99.97951	2.4
101.00878	27.4
102.05499	1.1
103.03934	4.6
105.03387	1.4
105.07052	1.8
107.04998	1.5
109.02868	5.4
109.06524	4.1
109.10167	2.1
109.26614	1.1
110.01307	2.8
110.03217	1.7
110.51437	3.7
110.70364	1.2
110.97591	3.6
111.04449	12.9
111.97948	1.9
114.02381	2.2
116.98619	6.0
117.05488	1.3
119.01921	81.9
119.04933	16.8
119.08584	3.8
119.51961	1.4
120.08099	7.5
123.04448	6.1
123.08070	2.4
124.02457	5.4
124.11226	19.5
127.00711	9.1
127.03921	59.8
128.04254	34.9
128.98622	5.1
129.04512	2.3
129.05475	8.4
133.02850	1.5
133.06509	1.2
134.99632	2.1
137.02977	19.1
137.05972	6.7
137.09604	3.7
142.03505	54.4
143.00197	2.4
145.01758	8.9
146.99699	2.6
147.04417	24.3
147.06502	5.4
155.00153	2.8
158.99759	1.2
160.04559	13.0
161.01234	2.6
162.01593	1.6
164.98599	17.8
165.01852	2.9
165.05579	6.0
165.06509	3.1
165.07632	8.1
165.09129	3.3
165.11314	1.5
165.12683	1.9
165.13867	9.3
165.98961	7.2
167.01897	2.3
173.01247	1.7
182.99663	87.2
183.99991	23.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
51.23243	0.5
53.03950	3.9
55.01880	1.4
55.05518	9.3
57.03431	0.8
57.07077	1.6
65.03954	1.2
67.05523	4.2
68.23325	0.6
69.03439	2.1
69.07069	19.4
69.68846	3.4
71.04980	0.6
77.03933	1.3
79.05496	23.7
79.05956	1.4
81.03442	0.7
81.07063	23.2
83.08638	4.6
89.03915	3.1
89.81139	0.6
91.05481	18.0
92.02598	0.6
93.07050	45.8
94.06599	0.6
95.04966	4.7
95.08608	19.2
103.05474	49.5
104.05786	0.7
105.03408	1.4
105.04552	0.7
105.07029	15.1
107.04980	4.3
107.08597	100.0
108.08894	1.0
109.06507	3.1
109.10147	1.5
115.05452	1.7
116.14492	0.7
117.03404	2.9
117.05300	1.0
117.07005	4.0
118.06508	1.0
119.06063	1.7
119.06876	3.8
119.08593	5.7
121.06501	4.7
121.10149	36.0
123.08112	0.8
130.06560	1.3
130.07788	2.6
131.04930	53.6
132.05273	1.2
132.08075	1.8
133.02863	3.4
135.04411	11.4
135.08095	3.3
135.11697	19.3
143.08539	0.7
145.02855	2.2
145.06474	3.2
145.10135	10.3
147.08070	0.8
163.03912	22.7
163.05951	1.9
163.07559	15.5
163.08893	1.0
163.09813	1.5
163.11171	20.6
163.12300	1.5
163.14825	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1482
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03938	3.4
55.01858	1.4
55.05515	12.5
56.01538	0.8
57.07080	6.5
59.64114	0.8
65.03941	1.4
67.05485	3.1
69.03413	2.4
69.07070	34.3
70.71415	2.4
77.03909	1.4
79.05498	18.9
81.07051	9.0
83.00781	0.9
83.08620	14.7
89.03915	9.4
91.05482	16.8
93.07050	39.3
93.11887	0.8
95.04980	5.1
95.08605	8.0
96.98536	0.9
103.05474	16.3
105.03393	0.8
105.04506	2.1
105.06358	1.6
105.07034	20.3
105.07742	1.1
107.04948	6.2
107.08597	91.0
108.09369	3.1
109.06504	2.8
109.10132	2.7
115.05432	1.2
117.03391	7.4
117.07014	3.4
119.06078	1.7
119.08582	10.5
120.09373	1.1
120.63271	0.8
121.06515	4.3
121.10148	100.0
122.10457	1.7
123.08035	1.9
130.06561	0.9
130.07741	1.3
131.04935	14.9
132.08060	1.2
133.02832	3.6
133.07611	1.2
134.10913	1.4
135.04419	16.9
135.08061	3.1
135.11707	25.4
136.07600	2.9
141.27132	1.0
145.02852	5.0
145.03922	1.3
145.06532	1.5
145.10115	7.8
154.31056	0.8
163.03914	25.4
163.07526	6.8
163.11183	13.0
163.12485	1.8
163.14822	29.5
164.04221	1.0
164.07069	1.2
164.15038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.5
53.00302	1.2
53.03737	0.9
53.03951	9.2
55.01876	2.3
55.05511	8.1
56.96558	1.1
57.03439	1.1
57.07080	1.4
63.02357	2.3
65.03917	1.9
67.05501	8.3
68.99806	4.9
69.03433	14.4
69.07071	15.0
69.13818	0.9
69.63493	6.2
71.04974	1.9
76.44782	1.0
77.03922	3.1
79.05494	41.3
81.03438	1.1
81.07060	31.3
83.08621	6.1
85.02847	1.1
89.03920	62.8
90.04211	0.9
91.05486	26.6
92.02611	1.1
93.07047	85.5
94.07388	1.1
95.04971	11.9
95.08605	23.0
100.02455	2.3
103.05470	67.7
104.05717	1.0
105.03380	1.0
105.04521	4.5
105.07034	20.6
107.04961	24.8
107.08596	97.1
108.08083	1.6
109.06522	3.0
109.10167	1.5
115.05447	2.1
117.03384	50.2
117.07027	8.4
118.03693	1.5
119.06097	1.2
119.08585	12.1
121.02881	2.1
121.06525	7.2
121.10148	32.1
128.18153	0.8
128.34923	1.1
130.06544	2.1
130.07748	3.8
131.04932	75.6
132.05269	1.1
133.02853	4.1
133.06456	1.6
135.04417	91.2
135.08044	9.0
135.11707	21.3
136.04778	2.3
136.07576	23.8
143.08582	2.5
145.02852	35.0
145.03943	2.2
145.06480	2.8
145.10124	36.5
148.05148	1.2
148.08853	1.0
163.03911	100.0
163.07539	37.1
163.11186	90.5
163.14821	43.2
163.16209	1.4
164.04234	1.5
164.07057	3.0
164.11565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
53.03951	4.4
55.01871	2.9
55.05514	10.8
57.07080	6.0
59.67166	0.7
63.02367	0.7
65.03943	2.5
67.05508	7.5
69.03435	4.5
69.06706	1.4
69.07069	19.4
71.05000	0.8
71.61517	0.8
71.92350	0.6
77.03938	1.6
79.05498	28.5
81.03410	1.0
81.07059	32.0
83.04963	0.9
83.08627	6.0
85.02882	1.4
89.03915	11.4
89.06039	2.4
91.05482	19.4
93.07047	55.2
95.04974	6.3
95.08607	20.1
99.20544	0.6
100.02503	0.9
103.05473	66.0
104.05830	1.9
105.03411	1.1
105.04529	1.9
105.07037	17.5
107.04965	13.2
107.08597	100.0
108.08903	1.6
109.06532	4.9
109.10149	1.6
112.82439	0.7
115.05463	2.4
117.03380	9.4
117.07041	7.4
119.06078	1.3
119.08585	12.0
120.09382	0.8
121.06498	5.7
121.10149	45.1
122.10503	0.9
123.08055	1.1
127.07562	1.7
130.06538	1.7
130.07843	4.3
131.04932	76.3
132.05284	2.2
132.08109	1.7
133.02834	5.1
133.06493	1.2
133.10158	1.0
135.04424	22.5
135.08063	7.0
135.11696	24.3
136.07585	14.2
136.08524	0.8
145.02849	7.3
145.06508	4.0
145.10126	18.9
148.08846	1.9
163.03915	32.6
163.07547	24.9
163.11185	46.4
163.12257	2.2
163.14827	44.6
164.07071	1.8
164.11639	1.0
182.47813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1483
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.01584	1.3
50.69254	0.7
51.02378	2.1
53.03941	9.2
55.01870	4.6
55.05506	9.9
55.60347	0.8
56.96559	3.7
57.03426	2.3
57.07064	2.6
65.03931	3.2
67.05507	9.5
69.03427	10.7
69.06709	1.3
69.07071	18.4
69.64521	6.1
71.04988	2.2
77.00819	0.8
77.03923	2.1
79.05495	45.1
81.03416	2.4
81.07059	34.1
82.01427	1.7
83.04983	1.8
83.08614	9.4
85.02901	2.4
89.03382	1.4
89.03918	19.0
91.05483	31.4
92.02615	2.5
93.03352	0.9
93.07046	67.4
95.04968	16.0
95.08604	11.2
98.21442	1.8
98.97559	2.0
100.02483	5.6
103.05470	72.8
105.03427	5.1
105.04517	3.4
105.07032	34.7
106.06564	2.4
107.04264	1.7
107.04960	23.5
107.08595	90.6
108.08851	1.3
109.06504	8.7
109.10140	1.9
110.01297	1.4
115.05455	6.0
116.98650	1.0
117.03378	13.8
117.05745	1.3
117.07017	18.1
118.03525	3.3
118.06537	1.1
119.01810	2.8
119.04958	1.9
119.06100	1.5
119.08587	26.0
120.05663	0.9
120.08104	0.9
121.06516	13.5
121.10145	83.9
122.09692	1.0
122.10463	1.5
123.08066	3.0
127.04012	0.8
127.07570	6.0
128.02359	0.9
130.06659	5.1
130.07753	8.8
130.52631	0.9
131.04930	76.6
132.05240	1.2
132.08098	6.5
133.02863	14.9
133.06500	2.8
133.07578	1.1
133.10133	2.1
135.04422	45.7
135.08063	13.5
135.10663	2.0
135.11697	37.4
136.04770	1.3
136.07570	2.4
140.00253	1.3
143.08553	2.3
145.02841	10.3
145.03981	2.0
145.06451	7.9
145.10129	53.4
146.10509	1.7
147.09238	0.8
148.05205	2.2
148.08882	4.1
158.55504	0.9
161.09615	1.2
163.03911	86.3
163.07549	34.5
163.11186	100.0
163.14827	24.6
164.04320	2.1
164.07057	3.0
164.11571	2.9
164.14305	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	1.4
53.03939	5.8
53.44869	1.1
55.05505	5.7
56.96558	2.3
57.03432	2.2
57.07060	3.4
59.04994	2.4
62.16949	1.1
65.03931	1.7
67.05506	62.9
69.03436	2.3
69.07090	1.4
71.04993	100.0
71.26778	1.6
77.03920	2.2
79.05494	11.6
81.03415	1.4
81.07064	8.4
83.08622	5.3
85.02888	2.3
85.06545	21.5
89.03919	31.0
91.05473	5.0
91.34792	1.3
93.07021	3.2
95.04966	4.9
97.02875	1.5
98.97569	1.4
102.96860	1.4
103.05470	26.2
105.03406	2.7
105.04491	2.3
105.07018	2.6
106.70111	1.1
107.04945	11.4
107.08613	6.3
109.10158	27.7
117.03389	20.7
117.05705	1.4
117.06990	3.6
119.01855	1.7
120.08080	1.5
120.97886	2.1
121.00805	1.8
121.01662	4.0
121.06501	2.0
121.10168	2.3
127.11200	17.4
130.06573	2.1
131.04926	24.3
132.08105	2.9
133.02855	9.4
135.04422	46.7
135.08014	2.9
135.11594	1.5
136.07568	3.1
139.01797	3.0
141.32652	1.1
145.02870	17.2
145.03979	2.7
145.06487	3.3
145.10152	1.7
163.01782	5.4
163.03908	73.5
163.07477	10.2
163.08565	1.9
163.11157	4.1
163.12335	4.5
164.04243	1.5
164.07048	1.7
164.10660	2.9
181.02904	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	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.2
53.03952	5.8
55.01878	1.9
55.05520	6.8
55.05732	1.2
56.96554	4.8
57.03429	3.0
57.07058	4.0
59.04991	2.3
60.95882	1.3
63.02382	1.9
63.23405	1.0
65.03919	1.7
67.05506	59.3
69.03414	2.4
69.07073	1.3
69.93983	4.2
69.94395	1.8
71.04993	83.9
77.03939	1.6
79.05493	17.6
81.03418	1.8
81.07065	7.7
81.82521	1.0
82.01509	1.0
83.08612	4.8
85.02895	2.1
85.06054	1.6
85.06550	22.8
88.30219	1.0
89.03922	58.3
90.04289	1.7
90.26096	1.0
91.05479	6.8
92.02608	2.1
93.07031	3.2
95.04971	6.7
98.97577	2.7
102.96868	2.2
103.05474	23.4
105.03398	2.4
105.04502	2.8
105.07030	3.5
107.04958	24.7
107.08586	4.0
109.10154	27.6
115.05511	1.4
117.03385	45.2
117.07024	4.6
117.69614	1.2
119.04991	1.4
119.08594	1.6
121.00824	2.2
121.01661	1.6
121.06503	2.1
121.10171	2.8
127.11201	17.7
130.06538	3.1
130.07779	1.5
131.04927	26.5
132.08086	2.9
133.02884	8.3
135.04419	89.8
135.08015	5.0
135.11678	1.7
136.07617	1.1
139.01782	2.7
145.02856	28.1
145.03940	1.9
145.06485	3.0
145.10133	1.7
163.01740	2.5
163.03911	100.0
163.05873	16.1
163.07544	14.4
163.08690	2.4
163.11179	4.4
163.12337	4.3
164.07050	1.4
164.10614	1.5
181.02896	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	163.133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.8
55.01862	5.0
55.05296	1.4
55.05516	17.9
57.06815	1.6
57.07078	27.9
65.03938	2.1
67.05515	9.2
69.03431	9.9
69.07062	4.9
69.37862	3.8
69.38283	6.5
71.04967	2.1
77.03937	1.4
79.05051	1.8
79.05499	35.0
81.03399	1.5
81.07061	45.8
83.04992	2.3
83.08618	3.1
85.02895	3.0
89.03923	9.1
89.06038	17.8
91.05482	20.1
93.03367	1.4
93.07052	73.5
95.04981	12.8
95.08611	5.3
97.76705	1.1
103.05476	44.0
104.05788	1.7
105.04495	1.5
105.07034	26.5
107.04973	8.1
107.07066	3.0
107.07862	3.0
107.08600	40.8
109.06536	14.6
115.05459	1.8
117.03405	9.1
117.07020	14.2
119.08591	25.6
121.06516	8.8
121.10153	54.4
123.08099	2.1
127.07551	9.8
130.06639	1.6
130.07787	9.9
131.04941	43.1
133.02837	3.5
133.06462	2.5
135.04425	17.0
135.08069	7.0
135.11688	15.0
136.07591	3.7
143.08583	3.9
145.02840	4.6
145.06540	1.7
145.10132	70.6
148.08849	2.5
163.02560	1.4
163.03914	25.5
163.07570	16.4
163.11192	100.0
163.14824	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02378	1.1
51.55968	1.2
52.77893	1.4
53.03951	8.7
53.21210	1.1
55.01883	6.7
55.05517	7.9
56.31080	1.0
56.96560	1.0
57.03437	1.9
65.03932	3.0
67.05508	9.6
69.03447	7.9
69.07072	6.4
69.35738	8.8
71.04984	1.4
77.03926	3.2
79.05495	50.5
81.01105	1.1
81.07059	46.0
83.04970	1.8
83.08613	2.3
89.03921	47.1
91.05484	25.1
93.07047	63.5
94.04922	1.2
95.04975	15.0
95.08602	6.9
98.20732	1.7
98.97571	2.1
100.02461	4.0
103.05471	57.3
104.05766	1.5
105.03378	4.3
105.04515	4.8
105.07034	29.4
105.07738	1.5
107.04961	29.9
107.08600	43.4
107.77307	1.2
109.06524	14.8
109.10207	1.1
114.54120	1.0
115.05457	4.6
117.03389	39.6
117.07022	16.5
118.03588	1.7
119.01834	2.7
119.04963	2.2
119.08585	23.8
120.05725	2.1
121.06498	12.5
121.10148	53.6
122.09667	3.0
122.10503	1.4
123.08069	1.5
127.07554	9.6
128.02307	1.4
130.06482	2.7
130.07800	10.5
131.04932	55.8
132.08083	2.5
133.02864	10.3
133.06494	2.5
135.04419	77.2
135.08052	14.8
135.11691	10.5
136.04805	1.6
136.07562	2.2
143.08536	2.0
145.02859	29.5
145.03944	2.6
145.06584	2.0
145.10124	68.4
146.10475	1.7
148.05199	2.7
148.08890	1.9
163.03909	92.8
163.07547	26.6
163.11185	100.0
163.14842	9.5
164.04286	1.3
164.07066	1.7
164.11649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	6.3
55.01862	3.9
55.05517	17.4
56.96564	1.3
57.03434	1.7
65.03940	2.2
67.05508	10.6
69.03436	22.6
69.07069	15.8
70.70175	0.9
71.05006	1.1
71.61397	1.0
71.61768	1.4
77.03937	2.5
79.01822	1.2
79.05499	37.6
81.07060	40.4
83.08626	6.3
85.02898	1.2
89.03925	23.0
91.05478	29.6
92.02616	1.1
93.07051	56.4
95.04961	10.0
95.08614	24.2
100.02513	1.8
102.96853	1.5
103.05475	46.0
105.03391	2.5
105.04532	2.3
105.07034	25.7
106.06544	1.0
107.04966	16.7
107.08601	100.0
109.06532	8.9
109.10122	1.2
115.05469	3.4
117.03380	17.5
117.07032	11.3
119.04932	1.5
119.08588	15.2
121.06517	56.5
121.10149	52.1
121.72097	1.0
123.08084	8.8
127.07554	2.8
129.07068	2.4
130.06528	1.5
130.07771	6.2
131.04936	52.0
132.08075	2.1
133.02869	5.3
133.06488	2.8
133.10205	1.1
135.04428	34.8
135.08066	12.8
135.11703	18.4
136.07568	5.9
143.08592	2.1
145.02867	14.5
145.03976	1.9
145.06499	3.9
145.10135	29.0
148.05214	1.6
148.08839	3.1
163.03914	51.9
163.07544	18.9
163.11194	81.2
163.14827	46.1
164.07072	1.8
164.11678	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02376	1.4
53.03740	0.7
53.03952	7.9
55.01858	2.7
55.05515	8.6
55.06807	0.9
56.30164	0.8
56.96556	1.2
62.36084	0.9
63.02362	1.9
65.03942	1.1
67.05508	8.7
68.99802	4.2
69.03432	11.5
69.06760	1.1
69.07069	11.5
70.22651	0.9
70.89245	1.8
70.89584	1.3
71.04986	1.4
77.03920	3.1
79.05495	40.1
81.07060	30.7
83.05012	1.1
83.08633	4.1
89.03920	66.4
90.04247	1.0
91.05484	25.3
93.07046	80.0
94.06567	1.0
95.04977	11.1
95.08031	1.5
95.08609	19.0
100.02469	1.8
103.05474	82.3
104.05788	2.0
105.03434	1.3
105.04495	4.4
105.07044	18.9
105.07738	1.2
107.04278	1.4
107.04959	21.5
107.08599	78.2
108.08160	1.0
108.08891	0.9
109.06498	3.5
110.01206	0.8
115.05457	2.6
117.03384	51.3
117.07014	8.3
118.03641	1.0
119.04932	1.3
119.06072	1.2
119.08571	9.0
120.05670	0.9
121.02815	1.3
121.06509	6.6
121.10150	30.7
122.10443	1.0
129.06979	1.2
130.06519	1.6
130.07808	6.5
131.04933	100.0
132.05234	1.7
132.08058	1.6
133.02834	3.7
133.10133	1.1
135.04424	92.4
135.08054	9.1
135.11699	18.1
136.04756	2.3
136.06612	1.5
136.07581	16.8
145.02850	35.4
145.03886	1.9
145.06512	3.5
145.10126	32.3
163.03914	98.7
163.07542	43.6
163.11188	93.2
163.14821	37.0
164.04266	2.4
164.07050	1.8
164.11581	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.2
51.20255	0.9
53.03939	4.5
55.01872	8.9
55.05508	7.5
57.07080	7.2
57.68412	1.0
65.03920	2.7
67.05511	9.4
69.03421	4.6
69.07077	1.8
69.99131	3.2
69.99539	2.8
71.04990	1.6
77.03922	1.7
79.05494	36.2
81.03442	1.2
81.07059	49.5
83.04987	1.7
85.02883	1.7
89.03918	10.8
89.06020	4.2
90.93852	1.0
91.05482	19.0
93.03416	1.7
93.07046	64.0
95.04961	12.1
103.05482	14.5
105.04478	1.2
105.07025	24.3
107.04950	6.7
107.08598	25.9
109.06520	19.9
115.05421	1.5
117.03389	9.5
117.07020	17.3
119.08575	29.4
121.06526	7.5
121.10147	62.0
122.10469	1.3
123.08067	1.3
127.07568	13.7
129.07037	1.4
130.07788	11.1
131.04932	13.8
133.02901	3.2
133.10173	1.3
135.04413	18.4
135.08054	6.8
135.11722	8.8
136.07578	6.7
143.01932	1.2
143.08537	4.3
145.02866	6.3
145.10123	80.7
146.10501	1.4
148.08809	3.4
163.03908	23.1
163.07544	8.5
163.11185	100.0
163.14865	2.4
164.07062	1.4
164.11508	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.76977	1.0
51.79087	0.9
53.03931	4.1
54.63303	1.1
55.01869	8.2
55.05510	7.7
57.03429	1.2
57.46741	1.0
60.59047	1.0
65.03946	2.1
67.05505	15.0
69.03416	4.1
69.07067	6.9
69.78008	5.2
69.78411	1.7
71.04993	1.4
79.05495	41.8
81.07059	62.4
83.08606	1.7
89.03907	2.7
91.04956	1.9
91.05482	22.7
93.03394	1.6
93.07047	75.4
95.04958	12.5
95.08613	7.7
98.76636	1.2
103.05446	8.8
105.06367	2.1
105.07037	27.2
107.04960	3.6
107.08598	52.1
109.06525	22.7
117.03350	2.2
117.07027	15.5
119.08584	34.0
121.06509	6.9
121.10143	76.8
122.10458	1.8
123.08024	1.9
127.07569	15.9
129.06993	2.0
130.07814	8.1
131.04935	9.7
133.06505	4.5
133.10075	1.1
135.04460	5.3
135.08044	8.1
135.11710	11.8
137.07059	1.1
143.08575	3.2
145.02817	1.3
145.10130	91.0
146.10472	2.8
148.08817	3.1
163.03935	5.0
163.07550	3.1
163.11186	100.0
163.14812	11.8
164.11543	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	163.1118
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.02370	0.8
53.03951	6.1
54.84930	0.5
55.01871	3.4
55.05519	3.0
56.96561	1.1
57.03441	0.8
65.03934	0.8
67.05504	1.0
69.03422	2.5
69.07068	5.9
69.48646	2.0
69.49078	2.0
73.02909	1.3
77.03905	1.8
79.05499	8.4
81.03419	0.8
81.07068	4.9
82.01451	1.4
83.04972	0.6
83.08622	1.0
85.02902	0.6
85.17088	0.5
90.13271	0.6
91.05478	5.8
92.02626	1.9
93.07046	11.8
95.04980	8.9
95.08610	4.4
98.21433	1.1
98.97572	2.3
100.02502	3.7
101.00778	0.6
103.05472	1.4
105.03403	7.4
105.04522	3.4
105.07039	6.1
106.06543	0.7
107.04973	4.7
107.08602	21.6
109.06547	1.2
110.01260	1.1
115.05442	0.7
116.98647	0.6
117.07005	3.9
118.03530	1.8
119.01797	1.4
119.04919	0.6
119.08591	5.5
121.06516	11.3
121.10152	9.7
130.06520	1.3
130.07790	2.9
130.52644	0.6
131.04933	1.1
132.08109	2.0
133.02863	16.6
133.06538	2.1
133.10133	0.8
135.03395	0.9
135.04427	17.4
135.08057	2.8
135.11705	4.4
140.00160	0.8
143.08569	0.7
145.06529	1.5
145.10132	11.2
148.08826	6.3
161.09630	0.8
163.03920	59.8
163.07570	2.5
163.11189	100.0
163.14818	9.9
164.04268	1.5
164.11537	1.7
178.33997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.8
53.03952	8.3
55.01878	3.5
55.05514	6.7
56.96555	1.8
57.03421	2.1
57.07055	0.9
63.02365	1.1
65.03941	1.7
67.05518	5.4
67.70071	0.6
68.05857	0.7
69.03438	18.0
69.07071	5.5
71.04997	2.8
71.61182	0.9
71.62159	0.8
77.03913	3.0
79.05049	1.3
79.05497	26.0
79.90695	0.7
81.03407	1.6
81.07062	15.1
82.01419	0.8
83.04987	2.1
83.08602	1.9
85.02934	1.1
89.03922	36.8
89.97428	0.8
91.05483	26.8
92.02636	1.0
93.07050	76.6
94.07357	1.3
95.04973	10.3
95.08602	7.1
98.97608	1.2
99.04375	0.7
100.02480	2.3
103.05474	50.7
103.18359	0.7
104.05777	1.0
105.03381	1.8
105.04519	4.4
105.07034	22.3
106.06579	1.1
107.04962	17.5
107.07398	1.6
107.08600	47.3
109.06513	3.9
115.05486	2.1
117.03383	29.4
117.07037	9.7
118.03511	1.2
119.01820	0.8
119.04886	1.0
119.08596	10.6
121.06511	27.6
121.10152	20.3
122.09709	4.7
127.07585	0.9
128.02309	1.1
129.07001	1.2
130.06543	1.7
130.07788	6.8
131.04935	55.5
132.05252	1.4
132.08105	1.9
133.02859	6.9
133.06494	1.5
135.04425	56.3
135.08078	5.8
135.10683	0.8
135.11707	14.9
136.07565	1.3
140.20789	0.8
143.08580	2.4
145.02867	20.2
145.03963	1.8
145.06470	2.3
145.10127	44.9
146.10504	1.0
148.05206	2.1
148.08836	2.1
163.03918	64.3
163.07552	19.9
163.11188	100.0
163.14795	11.5
164.04262	2.2
164.06976	1.1
164.10718	2.1
164.11758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0754
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02370	0.7
53.03945	1.6
71.04991	0.6
77.03911	0.8
79.05499	3.3
89.03914	10.8
91.05495	1.6
93.07045	0.6
95.04974	1.8
96.03727	0.5
98.20778	1.2
103.05466	89.9
104.05802	1.1
105.04486	0.8
105.07059	1.2
107.04967	3.0
107.08589	1.3
117.03376	9.7
117.07050	1.1
121.06553	0.6
126.58616	0.6
130.06517	0.8
131.04927	100.0
132.05273	2.0
135.03369	0.8
135.04419	15.4
135.08044	1.5
135.11691	0.6
138.11157	0.5
141.07513	0.4
145.02835	6.5
145.10135	0.8
163.03906	17.9
163.07536	22.6
163.11185	1.4
163.12361	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
51.21254	1.2
53.03941	7.8
55.01875	6.5
55.05511	7.2
56.96561	2.2
57.03429	1.5
63.02357	2.4
65.03919	3.3
67.05515	9.5
69.03436	7.8
69.07052	4.5
70.45781	2.4
70.46120	2.8
77.03918	2.6
79.05492	44.6
81.03436	1.8
81.06572	2.0
81.07053	41.3
88.78712	1.3
89.03916	52.8
90.04215	1.4
91.05481	22.8
93.03421	1.6
93.07042	70.5
95.04971	13.0
95.08605	5.6
103.05471	31.7
105.03391	2.0
105.04520	3.3
105.07030	23.1
107.04961	20.9
107.08595	38.4
107.81905	1.4
109.06511	14.0
115.05453	2.7
117.03378	44.5
117.06996	14.1
118.03568	1.5
119.08578	28.5
121.06506	8.3
121.10140	56.2
121.11016	2.7
123.08014	1.7
127.07559	10.5
130.06561	1.9
130.07790	8.9
131.04921	33.7
132.08092	2.0
133.02829	9.4
133.06503	3.3
135.04420	83.8
135.08040	11.7
135.11684	17.1
135.19377	1.5
136.04851	1.9
143.08548	4.6
145.02863	31.7
145.03943	3.3
145.06461	2.5
145.10120	66.0
146.10443	1.7
148.05133	1.5
148.08810	2.9
163.03902	95.8
163.07526	14.6
163.11185	100.0
163.14836	6.8
164.04317	1.6
164.11490	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0755
Annotation	Methyl cinnamate
Peak:m/z	Relative Intensity
51.02383	0.9
53.03953	3.2
54.67986	0.5
55.01865	0.8
55.05512	2.6
63.02357	1.2
63.11081	0.5
65.03939	0.9
67.05505	2.1
68.99783	0.8
69.03424	4.7
69.07094	3.2
70.40113	2.2
77.03935	2.1
79.05494	14.5
81.07053	4.4
89.03916	34.3
90.04276	0.9
91.05481	7.3
93.07044	12.0
95.04963	4.3
95.08598	3.3
98.20884	0.6
103.05470	79.3
104.05802	1.3
105.03403	1.0
105.04527	0.9
105.07038	5.5
107.04963	13.6
107.05683	0.7
107.08595	16.4
109.06541	1.4
112.92281	0.6
115.05456	1.3
117.03380	30.1
117.07004	3.6
118.03718	0.7
119.01815	0.7
119.08558	3.5
121.02829	0.5
121.06510	9.2
121.10161	7.4
123.08041	1.3
130.06534	1.3
130.07784	1.1
131.04929	100.0
132.05278	1.5
132.08107	0.8
133.02895	1.7
135.04414	50.6
135.08029	5.7
135.11690	3.8
136.04771	1.0
136.07588	4.0
145.02849	21.3
145.03943	1.4
145.06485	1.8
145.10112	7.2
146.71640	0.6
163.03909	48.1
163.07541	46.5
163.11171	20.8
163.12277	0.9
163.14836	7.0
164.06975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.039
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03941	3.7
55.01863	1.1
55.05509	1.2
56.96561	0.9
62.47379	0.6
63.02383	2.1
63.72806	0.6
65.03936	0.7
67.05504	1.5
69.03440	2.2
69.07070	2.4
70.98718	1.6
77.03926	1.3
79.05491	17.1
81.03399	0.9
81.07050	4.3
89.03915	70.2
89.14006	0.6
90.04238	0.8
91.05481	6.1
92.02612	0.8
93.07040	11.1
95.04970	4.7
95.08619	3.8
98.97559	1.0
100.02453	1.6
100.83678	0.8
103.05469	19.0
105.03396	2.4
105.04494	1.1
105.07047	3.4
107.04946	16.5
107.08590	13.6
107.09270	1.1
109.06485	1.2
117.03378	57.4
117.07023	2.6
118.03671	1.1
119.08583	2.7
121.06512	2.1
121.10139	7.8
130.06522	0.9
130.07800	0.9
131.04927	22.4
132.08092	1.1
133.02853	3.5
135.04413	100.0
135.08047	2.2
135.11700	3.7
136.04764	2.2
145.02850	41.4
145.03905	2.6
145.06506	1.3
145.10104	8.4
146.03218	0.8
148.08891	0.7
157.55627	0.7
158.05962	0.8
163.03899	89.3
163.07532	8.8
163.11179	17.2
163.12503	1.1
163.14818	9.4
164.04221	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
51.02375	1.1
53.03950	3.7
55.01875	1.2
55.05514	3.8
56.96586	0.5
57.03445	0.8
63.02371	1.1
65.03938	0.9
67.05522	2.5
68.99786	2.0
69.03419	4.5
69.07073	4.4
71.05017	0.7
71.61414	0.5
77.03941	2.1
79.05498	20.9
79.05955	1.0
81.03418	0.7
81.07060	9.6
83.08603	1.2
89.03920	42.0
91.05477	9.1
93.07050	25.2
95.04982	4.2
95.08627	6.6
98.97598	0.6
103.05471	77.9
104.05801	0.7
104.88828	0.6
105.03396	1.5
105.04505	1.7
105.07030	9.2
107.04960	15.4
107.08598	28.2
109.06502	0.8
109.10197	0.6
115.05480	1.7
117.03387	39.0
117.07015	3.6
118.03706	0.6
119.01822	0.6
119.06029	0.6
119.08598	4.2
121.06529	3.7
121.10158	11.4
130.06566	1.0
130.07793	2.5
131.04932	100.0
131.53455	0.5
132.05275	1.0
132.08064	0.6
133.02859	2.2
133.10202	0.5
135.04420	67.0
135.08037	5.1
135.10799	0.6
135.11710	6.5
136.04736	1.2
136.07571	3.6
143.08575	0.7
145.02855	24.0
145.06496	1.9
145.10130	13.5
147.76974	0.6
148.05130	0.5
148.08815	0.7
163.03912	60.7
163.07545	45.3
163.11183	31.8
163.13483	1.0
163.14819	11.3
164.04282	1.2
164.08014	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0391
Annotation	7-Hydroxychromone
Peak:m/z	Relative Intensity
51.02375	1.2
53.03949	9.3
55.01859	1.6
55.05511	0.9
57.03417	0.5
65.03934	0.5
67.05497	0.5
69.03429	1.0
69.07069	2.8
70.80500	1.0
71.04987	0.7
77.03931	4.1
79.05492	10.3
81.03414	0.9
81.07054	3.5
83.08640	0.7
89.03909	1.7
91.05479	5.1
92.02625	4.4
93.07046	9.9
95.04970	12.1
95.08604	2.6
98.74885	0.4
103.05473	21.4
105.03398	6.4
105.04506	4.6
105.07027	3.8
107.04971	3.8
107.08600	15.7
109.06494	0.7
115.05422	0.6
117.03380	1.7
117.07032	2.3
119.06824	0.5
119.08575	2.3
120.02078	1.1
121.06509	2.4
121.10141	6.9
130.07771	1.0
131.04933	21.7
133.02856	27.2
133.06482	0.6
134.03206	0.5
135.04417	30.9
135.08054	1.5
135.11713	2.9
135.51082	0.4
145.02866	1.8
145.06476	0.6
145.10124	6.2
148.08888	0.5
163.03909	100.0
163.07545	7.0
163.11194	10.5
163.12529	0.8
163.14818	3.8
164.04234	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.0551
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03940	0.7
56.96554	0.8
61.68293	0.3
67.05502	1.7
69.48178	2.1
71.04993	2.7
74.06075	0.6
79.05496	1.7
80.05807	0.5
80.17711	0.2
81.03412	0.3
85.02913	0.3
85.06525	0.4
89.03917	4.2
91.05480	0.6
92.04984	0.6
94.06566	0.8
95.04961	0.8
98.97607	0.3
102.96867	2.2
103.03931	0.3
103.05474	2.0
104.05786	0.7
105.07011	1.0
106.06563	0.9
106.07365	2.7
107.04942	1.6
109.10160	1.1
116.04997	3.8
116.05784	0.7
117.03381	2.7
118.06546	0.5
119.01900	0.3
120.02047	0.9
120.04478	3.8
120.06529	0.5
120.08087	0.9
120.08855	0.3
120.96539	0.4
120.97883	1.7
121.00765	0.6
121.06498	0.4
127.11210	0.6
131.04947	1.9
132.08070	0.4
133.02910	0.6
134.05972	1.2
134.06836	1.3
134.09586	0.4
135.04419	5.3
138.98956	0.8
139.01802	0.8
144.04463	0.9
145.02850	2.4
162.05499	100.0
162.09055	3.2
163.01804	0.4
163.03920	6.0
163.05835	1.2
163.07520	0.8
163.11108	0.4
163.12366	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
51.02374	0.8
53.03945	2.8
55.01860	1.3
55.05511	5.9
56.96564	3.2
62.90500	0.9
65.03938	0.9
67.05506	15.8
69.03436	1.8
69.07072	6.0
71.22528	1.4
72.47942	0.8
77.31210	0.6
77.55187	0.7
78.92467	0.9
79.05498	23.1
81.07059	24.6
83.08592	1.0
91.05483	57.5
92.05767	1.1
93.07047	21.5
95.04992	2.3
95.08611	11.1
101.95052	1.1
103.05470	5.3
105.03422	1.8
105.07034	98.6
106.07339	1.0
107.08596	5.0
108.97073	0.7
109.02132	1.7
115.05442	7.3
117.07019	9.9
118.02695	3.7
118.04195	3.7
119.08582	100.0
119.95863	0.7
120.08177	0.8
121.06506	0.8
121.10172	0.9
128.06218	1.8
128.81354	0.9
129.53429	3.3
131.04903	1.6
131.08546	4.7
132.09329	1.6
133.06516	8.4
133.10129	59.1
143.06038	1.1
143.08565	2.5
146.03722	0.9
146.07210	1.8
146.10980	1.0
159.11713	3.1
161.05994	6.6
161.09631	15.1
161.13261	83.7
162.05498	1.6
162.11288	1.0
162.13580	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02386	0.5
53.03951	3.0
55.01877	5.0
55.05515	0.5
56.96579	0.5
57.03436	0.4
58.74763	0.3
65.06956	0.3
66.04709	1.4
69.03418	0.9
69.86356	0.6
69.86768	1.0
74.30158	0.3
77.03921	0.8
79.05497	19.9
81.07067	0.4
89.03943	1.0
90.04695	3.7
91.05478	6.1
92.02613	0.9
93.07046	0.6
95.04963	3.3
97.02906	1.1
98.97571	0.5
100.97203	0.5
101.00895	0.5
102.04697	0.7
103.05473	25.1
105.04528	1.3
105.07032	100.0
106.07341	1.7
107.04961	1.2
115.05457	29.5
116.05780	0.6
117.07041	1.2
118.04163	20.0
119.01914	1.7
119.08586	3.6
121.06537	0.6
128.06209	0.4
131.04939	5.0
131.08577	0.5
132.05775	1.8
133.06494	47.0
133.10103	3.3
134.06880	0.8
143.01920	0.7
143.05011	0.7
143.06042	4.9
143.08591	1.2
146.03619	1.2
146.07254	0.4
161.03079	0.4
161.05983	12.1
161.07031	0.7
161.09622	5.3
161.10878	0.4
161.13292	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1326
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
50.52960	0.2
53.03945	0.8
55.05512	6.2
64.44064	0.2
67.05502	0.3
69.07072	2.2
69.77254	1.0
69.77666	0.6
71.59130	0.2
77.03917	0.3
79.05499	1.6
81.07049	0.7
89.65274	0.2
91.05483	7.1
93.07065	1.5
93.68607	0.2
103.05480	1.2
104.06242	0.4
105.07037	15.6
106.07262	0.3
107.08620	1.3
114.80925	0.2
115.05458	1.0
117.07031	3.2
118.04204	0.3
119.08585	100.0
120.08854	1.2
121.10139	2.4
131.08580	2.3
133.06480	0.9
133.10136	17.0
143.08553	0.3
146.07240	0.3
146.10915	0.9
149.17265	0.3
157.83461	0.2
159.11710	0.9
161.05981	0.8
161.09666	1.3
161.13264	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	161.0597
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02381	0.6
53.03952	2.6
55.01880	4.4
65.03947	0.7
66.04725	1.2
66.62651	0.5
66.63737	0.5
70.94797	0.6
70.95127	0.8
71.69984	0.5
77.03934	1.6
79.05497	20.8
80.15082	0.5
86.14054	0.6
89.03918	1.1
90.04694	4.5
91.05472	4.2
92.02625	0.9
95.00369	0.6
95.04979	3.3
102.04734	0.8
103.05470	27.6
105.04529	1.5
105.07034	100.0
106.07375	2.2
107.04943	0.8
115.05456	32.3
116.05791	0.8
118.04166	21.5
118.05016	1.1
118.30889	0.5
131.04916	5.3
132.05687	1.9
133.06497	49.9
134.06818	0.6
136.46608	0.6
143.04994	1.0
143.06036	5.6
161.05988	8.2
161.09618	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0296
Annotation	Unknow
Peak:m/z	Relative Intensity
70.12328	0.1
70.28915	0.3
82.99842	3.7
87.96063	0.1
98.21380	0.2
100.02460	0.2
101.00885	37.8
102.00954	1.6
103.00678	0.2
106.84342	0.1
111.00455	0.2
119.01925	100.0
120.01999	3.9
121.01572	0.2
121.02348	0.5
124.02467	0.3
125.02612	0.1
127.93465	0.1
133.03429	0.3
137.02963	19.4
138.03064	0.6
142.03519	1.3
143.01886	0.4
143.03622	1.5
144.03192	0.1
160.04547	0.2
161.02962	4.3
161.04507	0.4
161.04860	0.3
161.05888	0.1
162.03151	0.2
179.04015	5.0
179.05479	0.2
180.04196	0.3
181.02080	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	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.34042	0.6
53.03947	2.8
55.01867	3.9
61.82065	0.7
69.03428	0.8
69.44855	6.2
77.03922	1.3
79.05495	16.7
89.03935	1.0
90.04694	2.6
91.05482	8.1
93.07044	1.8
95.04961	3.5
103.05476	18.7
105.07035	100.0
106.07403	1.7
107.04959	2.1
115.05457	22.3
117.07042	1.8
118.04174	14.4
119.08598	3.8
121.06523	10.1
128.06181	3.3
131.04915	5.4
131.08557	1.5
132.05717	1.8
133.06497	38.2
133.10139	19.5
139.02203	0.9
143.06044	4.0
143.08551	2.5
145.06490	2.8
146.07274	17.2
159.08002	0.9
161.06009	6.2
161.09627	59.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.1334
Annotation	Pregabalin
Peak:m/z	Relative Intensity
53.03944	3.6
55.01876	4.7
55.05516	13.8
56.05034	11.5
56.96281	1.4
56.96569	28.1
57.03437	9.8
57.04545	0.8
58.06573	0.9
59.04999	2.5
61.02920	3.7
64.78046	0.8
67.05505	2.4
67.36194	0.8
69.03436	46.8
69.07056	2.4
70.06599	1.5
70.98115	1.5
71.01329	0.8
71.04097	1.7
71.05012	5.2
72.08166	1.9
73.02920	6.2
73.06557	1.0
74.00252	0.9
75.04465	1.0
79.05502	6.6
81.03415	6.0
81.07062	24.9
82.06580	6.7
82.99832	2.4
83.00825	0.9
83.01336	1.0
83.04985	7.0
83.08613	2.9
84.08148	53.3
84.96039	1.7
85.01420	1.2
85.02914	11.0
85.06538	7.0
85.08528	0.9
86.06049	1.4
86.09711	1.4
87.04456	3.8
88.01749	0.8
88.02679	1.5
89.00777	1.2
94.02654	1.2
95.03456	1.6
96.01564	0.8
96.08121	1.6
97.02345	2.0
97.02893	19.9
97.06528	3.7
97.10159	2.7
98.03144	0.9
98.09705	12.0
98.97596	13.0
99.04444	2.7
99.08102	43.1
99.97935	2.6
100.07623	4.4
100.97182	1.5
101.00890	18.1
102.00962	0.9
102.02398	1.1
102.09176	1.0
103.02424	1.6
103.03191	0.9
104.57279	0.9
106.02846	2.5
107.03471	1.7
107.08588	3.2
109.02861	4.1
110.01276	2.0
110.03075	1.1
110.03951	1.1
110.09679	1.2
110.97565	3.1
111.02110	1.1
111.02934	3.1
111.79596	0.9
112.99130	7.5
113.00862	1.0
114.05521	2.0
115.00677	3.0
115.02448	5.4
115.03161	1.4
116.98618	5.0
118.02837	1.2
118.96780	1.3
119.01924	37.7
120.02036	1.2
120.03397	0.9
122.25745	0.8
124.02797	0.9
124.03725	1.4
124.11241	15.0
125.09641	100.0
126.09963	1.3
127.00683	2.3
127.03915	2.8
128.98601	2.5
129.02228	1.8
129.03975	1.5
131.00208	6.2
131.01920	2.6
133.01750	6.0
133.03445	8.6
137.02917	5.9
139.02373	1.0
139.04298	0.8
142.03511	8.1
142.08624	1.9
142.12283	50.6
143.00128	1.5
143.01897	2.9
143.10721	5.1
145.01770	1.3
145.03465	3.8
146.99724	1.8
147.03264	1.0
147.05066	1.4
148.03880	6.6
149.01190	2.0
149.03085	1.0
151.02745	2.1
151.04477	0.9
157.01653	1.6
157.02281	1.0
157.03465	10.1
157.04547	1.6
158.03595	2.1
158.99672	2.0
159.03366	2.1
159.05020	1.8
160.04659	2.4
160.10861	1.5
160.13344	24.5
161.01241	0.9
161.02965	2.4
173.02931	1.9
174.27811	0.8
175.02803	3.4
175.04547	6.4
177.04404	1.5
177.06001	1.9
179.04042	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0918
Annotation	1,5-Naphthalenediamine
Peak:m/z	Relative Intensity
55.01860	0.9
55.05501	2.7
56.96566	29.2
57.03438	1.0
59.93099	0.8
67.05495	1.1
69.03422	1.2
69.07066	1.1
69.27087	1.9
69.27517	3.4
70.06598	0.7
70.07374	0.6
71.04991	0.9
71.95267	5.6
73.02911	0.6
73.95686	0.6
76.93360	2.4
79.05496	1.3
80.37984	0.5
81.03408	1.4
81.07060	2.0
83.08621	0.8
84.37423	0.5
85.02898	1.3
91.05475	2.0
94.94402	0.5
95.04939	0.6
95.08591	0.6
97.02902	1.0
98.20686	1.0
98.97583	100.0
99.04472	1.0
99.06401	0.8
99.08088	1.2
99.10004	0.7
99.97917	4.4
100.97182	0.5
103.05463	1.5
105.07017	0.8
110.10479	2.0
110.56336	0.5
113.02375	3.4
113.05997	0.8
113.07873	0.5
115.05453	13.2
116.00243	0.5
116.04991	0.8
116.06255	0.8
116.98621	73.0
117.05760	9.3
117.06573	0.6
117.07019	1.4
117.95986	2.1
117.98944	3.8
118.06535	2.3
118.96766	1.4
119.01900	1.3
123.08061	0.6
124.94791	0.4
128.00769	2.6
128.98586	0.6
129.06940	0.5
130.06532	15.9
131.00159	0.7
131.04918	1.6
131.06926	0.8
131.08563	2.1
132.08089	59.1
132.96422	0.7
133.08423	1.1
134.99660	39.3
135.97038	1.2
136.00017	2.8
140.00201	2.3
141.01828	10.7
141.05476	0.6
142.06516	17.5
143.07298	0.7
144.05743	0.7
147.03174	0.5
147.20886	0.5
153.00696	4.0
153.96628	0.6
154.96402	0.5
158.01283	1.5
158.08392	0.9
158.99619	0.9
159.03041	0.6
159.04373	1.0
159.08176	2.7
159.09166	49.7
159.11708	2.3
159.15764	7.2
160.04268	0.6
160.07581	8.5
160.09525	1.0
168.05437	0.7
169.79778	0.5
173.04849	1.6
177.00703	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1177
Annotation	2-Epilentiginosine
Peak:m/z	Relative Intensity
51.47722	0.3
53.03949	0.4
55.01873	12.0
55.02139	0.7
55.05511	4.2
55.12978	0.4
56.05038	2.3
56.96570	2.2
57.93568	0.5
58.90335	0.3
62.00950	0.3
67.05512	0.9
69.03434	0.6
69.07081	0.5
70.06594	9.4
70.84097	0.8
71.05000	0.7
71.20422	0.3
71.95266	0.6
79.05505	0.8
80.90230	0.4
81.07059	6.9
83.07371	0.5
84.04510	1.2
84.08131	0.8
86.09707	1.1
95.08617	6.0
96.08137	0.7
97.10168	1.2
98.06059	100.0
98.09697	3.9
98.97589	27.3
99.06398	1.0
102.09206	0.4
112.07616	1.7
112.11250	8.0
114.09188	0.8
116.10756	1.1
116.97279	0.8
116.98626	12.7
116.99430	0.7
122.09654	0.6
123.08071	3.2
130.06546	1.1
131.08557	0.4
134.99663	4.5
140.10710	30.1
141.01851	0.5
141.11047	0.7
158.09656	3.4
158.11775	49.9
158.15367	4.3
159.11984	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.1384
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
54.58222	0.5
55.05500	1.0
59.05001	100.0
69.96582	2.8
70.06582	2.7
70.95866	2.1
72.93782	1.4
74.01485	0.6
78.76785	0.6
81.07065	0.8
82.06572	4.6
84.58622	0.5
96.08135	1.0
98.09692	83.7
99.09998	0.5
111.98499	0.7
124.11233	36.3
132.95830	2.2
150.96857	2.2
156.13837	57.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
66.25428	0.8
68.04980	1.0
69.37569	7.9
72.08155	2.5
74.09722	12.2
74.82721	0.9
81.04493	0.9
82.05318	2.5
83.06113	12.0
83.75179	1.0
84.28115	0.9
85.07658	2.9
93.04524	7.3
95.06087	8.3
96.96905	2.2
98.09692	1.4
108.95609	0.9
110.07172	100.0
111.05555	2.1
112.05299	5.8
115.00608	1.3
130.06329	10.6
132.02109	1.3
133.01660	4.0
133.03468	3.1
156.04218	56.3
156.07689	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	156.1384
Annotation	N-Methylpelletierine
Peak:m/z	Relative Intensity
54.84642	0.1
59.04996	0.2
66.45859	0.1
66.46222	0.1
67.05502	0.2
69.83216	0.4
70.06596	3.8
79.05492	0.1
81.07066	0.1
88.96927	0.1
96.08160	0.2
98.09697	100.0
98.21450	0.1
99.10008	0.9
110.07194	0.1
114.12788	0.1
116.09357	0.1
129.13495	0.1
138.12672	0.1
156.13847	18.7
157.14226	0.4
162.53027	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	155.1431
Annotation	p-Menth-1-en-9-ol
Peak:m/z	Relative Intensity
53.03944	1.5
55.01871	1.0
55.05512	13.2
56.96583	1.0
57.03439	1.6
57.07077	100.0
58.07409	1.4
59.05005	21.2
65.03947	10.2
67.05512	7.3
69.03394	0.7
69.07069	24.8
69.81979	3.6
69.96180	1.7
70.95871	2.9
71.05000	3.4
71.08626	1.2
71.94112	0.8
72.00803	0.8
72.93792	40.8
79.05497	1.0
81.03440	1.8
81.07058	17.8
83.04993	2.4
83.08614	6.0
85.06532	4.8
88.96924	0.7
90.94833	9.1
93.03417	9.0
93.07082	1.1
95.04984	2.9
95.08610	23.5
97.08461	1.8
97.10182	5.8
98.09698	16.8
98.20770	1.1
98.98463	1.8
99.04483	1.5
99.08143	2.0
105.57183	0.7
108.95906	0.7
109.02893	1.5
109.06561	1.5
109.10151	4.0
111.04454	16.9
111.11741	2.3
111.98481	1.2
113.06031	1.8
113.96405	23.7
121.01582	1.0
123.04453	1.5
127.03956	1.4
127.07536	0.8
131.96184	4.4
131.97450	11.0
132.95871	3.5
137.02394	4.5
137.03296	0.7
137.09689	0.8
137.13258	17.1
137.14212	1.1
149.97231	4.9
150.96930	4.0
154.99069	0.9
155.02332	0.9
155.03459	2.6
155.07104	3.3
155.08612	1.4
155.12708	5.2
155.14317	18.4
155.15515	1.0
156.13799	3.4
162.61871	0.7
172.61758	0.9
173.98482	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1227
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32858	0.1
55.05497	0.2
58.02953	0.1
58.06587	0.4
67.05522	0.2
68.05021	0.2
69.13618	0.1
69.93508	0.3
69.93915	0.3
70.06593	6.9
79.05482	0.3
81.07060	0.3
83.08643	0.2
86.68588	0.1
90.31666	0.1
92.04996	0.3
94.06577	0.4
95.08611	0.4
96.08130	18.6
97.06541	0.7
97.08421	0.2
97.08984	0.2
98.21377	0.2
112.11243	9.0
113.00880	0.3
131.01913	0.5
136.03969	0.4
154.05014	2.2
154.12267	100.0
155.12605	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.1227
Annotation	pseudo-Pelletierine
Peak:m/z	Relative Intensity
55.05518	0.3
55.79239	0.2
56.92155	0.2
58.06592	0.3
68.05038	0.2
70.06592	9.6
70.81213	0.5
70.81589	0.5
79.05486	0.4
81.05823	0.2
81.07034	0.5
83.08595	0.3
94.06520	0.2
96.08129	15.2
97.06534	0.9
97.08936	0.3
112.11241	11.4
138.85918	0.2
154.12268	100.0
155.12627	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	4.0
58.06591	0.3
67.05480	0.6
68.05009	0.3
69.03416	0.5
70.06589	0.9
71.11201	0.6
71.11542	0.4
71.94044	0.3
72.93796	0.4
79.05481	1.8
81.07056	7.3
82.06573	1.1
83.07362	0.4
83.08608	1.0
91.05460	0.6
93.05785	0.5
94.81413	0.4
96.04495	0.4
96.08135	6.2
97.05258	2.7
98.06057	2.8
98.09713	1.8
108.08117	3.0
109.06523	5.3
110.06049	4.0
111.06836	4.1
112.11239	0.5
113.96405	0.4
125.08356	0.7
126.09163	3.0
139.06268	4.5
143.03552	0.3
152.07043	0.6
154.08632	100.0
154.12177	6.4
155.08984	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	(+)-PERILLYL ALCOHOL
Peak:m/z	Relative Intensity
52.13173	0.8
53.03952	1.5
53.50043	0.9
55.01859	3.1
55.05293	0.9
55.05519	12.0
56.96576	5.3
57.03447	5.9
57.07072	2.5
59.04999	0.9
65.03943	6.3
67.05510	36.4
69.03437	4.2
69.07073	48.4
70.06583	1.9
70.27370	0.9
70.94273	3.9
70.95856	2.7
71.04977	3.0
71.22415	1.2
71.94098	1.9
71.95267	8.5
73.06562	1.2
79.01857	7.2
79.05051	1.6
79.05499	30.1
81.03425	1.0
81.07061	39.5
82.07352	0.8
83.00774	0.8
83.04984	7.9
83.08622	6.8
85.06560	1.6
88.95303	1.1
89.50981	0.9
90.99019	0.7
91.05476	6.0
93.03396	3.4
93.07049	47.6
94.06576	0.8
95.04968	4.4
95.08614	20.3
96.07546	1.0
96.08140	18.5
97.02901	1.3
97.06538	22.3
98.01293	1.7
98.97613	0.8
105.07043	1.4
107.01244	1.6
107.04966	2.7
107.08601	53.9
109.06527	2.2
109.10162	37.3
109.10915	1.8
110.03676	1.8
111.04482	8.1
111.08092	8.0
111.96870	3.3
112.11233	1.1
124.11263	1.6
125.02374	2.3
125.06004	4.1
125.09684	1.5
126.06330	0.9
128.53740	0.8
129.03116	1.1
129.53249	1.0
129.97891	2.0
133.11749	4.7
135.04428	1.5
135.08076	1.9
135.11700	100.0
136.12019	1.8
143.03400	5.4
153.00755	0.5
153.01846	16.4
153.02975	3.1
153.05588	4.0
153.07376	3.4
153.09122	2.8
153.12750	83.7
154.05013	2.4
154.12245	28.1
154.13361	1.6
169.54378	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
50.01589	1.6
51.02389	7.3
53.03932	3.1
54.82538	1.5
55.05515	12.3
56.96577	2.0
57.03434	2.0
57.07068	1.7
57.08273	1.5
59.04995	5.3
65.03930	4.6
67.05522	11.9
69.03423	4.7
69.07072	10.0
69.26222	16.9
70.06587	2.0
70.94267	3.2
70.95845	1.8
71.04999	18.9
73.06568	13.3
79.01857	53.6
79.05057	2.0
79.05497	24.6
81.07061	60.6
83.04978	6.1
83.08628	1.7
90.03526	1.7
91.05498	8.1
93.03373	3.8
93.07045	29.3
95.04974	4.9
95.08596	8.3
96.08156	12.6
97.02897	6.5
97.06532	7.2
105.07037	3.1
107.01312	15.3
107.08602	31.0
108.41671	1.5
109.06539	1.8
109.09553	1.7
109.10171	10.2
111.03160	2.0
111.04447	5.0
111.08105	4.5
112.11215	2.1
123.00759	2.1
125.02374	18.7
125.05968	2.1
125.09662	2.6
135.11699	16.7
143.03404	39.4
153.01830	100.0
153.02975	26.3
153.05418	2.4
153.09074	4.5
153.11691	1.9
153.12781	9.9
154.12274	21.5
168.76247	1.6
173.08037	1.5
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
50.01596	0.9
50.06730	0.6
51.02380	5.2
53.03936	2.9
55.01874	5.0
55.05506	5.9
57.03426	2.4
59.05003	1.7
62.74435	0.6
63.69566	0.7
65.03942	23.0
67.05510	10.4
68.99796	1.2
69.03434	7.1
69.07062	4.2
70.06573	0.8
70.94249	1.6
71.04991	3.0
71.61301	1.1
71.94108	7.6
75.04464	1.0
79.01859	47.9
79.05048	1.5
79.05495	23.4
81.03451	1.0
81.07068	6.4
83.01350	0.8
83.04990	8.4
83.08617	2.7
85.02905	0.8
85.06499	0.6
89.95155	1.0
91.04945	1.3
91.05482	16.5
93.03419	15.1
93.07047	47.8
95.01358	1.0
95.04971	23.5
95.08601	3.9
96.05280	0.8
96.08146	7.1
97.02901	9.5
97.06551	5.8
105.07026	4.7
107.01318	14.4
107.04958	5.0
107.08596	49.5
109.06532	5.1
109.10164	2.6
110.03684	4.8
111.04443	29.4
111.08086	19.0
111.96890	1.3
112.96722	3.2
115.05481	0.9
117.07008	2.7
121.02840	0.8
121.06511	3.6
123.00808	1.5
125.02357	15.9
125.05997	17.7
125.07977	0.8
125.09621	6.9
125.12311	0.7
128.29955	0.7
130.97734	1.4
135.04404	0.6
135.08058	26.9
135.11684	2.4
138.03134	0.8
138.06798	0.9
140.64893	0.7
143.02272	1.6
143.03404	35.1
153.01842	100.0
153.02977	23.2
153.05418	8.0
153.09122	23.2
153.10321	1.6
153.12756	3.1
154.02208	1.9
154.05038	1.4
154.12270	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	153.0911
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01597	1.3
51.02211	0.5
51.02383	5.7
53.00314	0.7
53.03946	1.6
55.01874	3.8
55.05511	11.6
56.96561	1.1
57.03422	2.0
57.07066	0.7
59.04992	2.1
61.61623	0.6
65.03938	6.9
67.05215	0.7
67.05509	8.1
68.99783	2.6
69.03434	12.8
69.07084	3.8
70.06583	1.3
70.58238	0.7
70.94254	3.0
70.95843	0.9
71.04977	2.1
71.61228	0.8
71.94089	1.3
79.01858	53.8
79.05049	1.0
79.05498	17.0
80.04984	0.6
80.05829	1.2
81.07055	9.2
83.04986	30.1
83.08622	2.4
87.00838	1.9
87.27656	0.6
88.95270	0.8
89.34927	0.5
90.15734	0.6
91.05482	15.1
93.03419	5.0
93.07049	19.9
94.06558	0.7
95.04974	8.4
95.08624	4.0
96.08134	14.2
97.02897	10.0
97.06534	7.4
97.08450	2.3
97.10170	1.0
102.89530	0.8
103.08848	0.8
103.75854	0.6
105.07025	5.1
107.01321	15.4
107.04980	3.4
107.08598	41.8
107.47540	0.6
109.06519	7.3
109.10164	4.3
110.03653	1.4
111.04454	11.1
111.08085	41.8
111.96858	2.1
112.07621	0.9
112.08419	0.9
112.11226	1.3
115.05443	0.7
117.07009	1.6
119.06056	1.2
123.00793	2.3
123.08124	1.0
125.02360	18.5
125.05989	4.9
125.07906	2.3
125.09634	22.8
133.11725	1.5
135.08072	10.8
135.11670	2.4
138.03137	0.8
139.07530	2.8
143.03404	39.3
153.01819	100.0
153.02965	26.7
153.05365	3.8
153.07376	2.7
153.09106	14.2
153.12749	4.6
154.02179	1.5
154.04994	1.5
154.08650	11.8
154.12267	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01594	1.8
51.02384	4.4
53.03940	1.0
55.01870	1.2
55.05502	1.5
57.65108	0.4
65.03932	1.5
67.05495	1.7
68.50394	0.5
68.99768	0.9
69.03443	2.8
69.07094	2.2
70.94263	0.9
70.95868	0.5
71.04992	1.7
73.06544	0.8
79.01861	50.8
79.05496	6.4
81.03429	0.6
81.07061	5.1
83.04988	2.9
83.08583	0.5
87.00816	0.7
91.05475	1.5
93.03398	1.7
93.07048	3.9
95.04988	3.7
95.08613	1.5
96.08138	3.0
97.02894	8.8
97.06541	3.1
98.20676	1.0
107.01328	13.9
107.04948	5.0
107.08592	4.7
109.06512	1.1
109.10154	1.3
110.03664	0.8
111.04465	3.9
111.08076	1.9
121.06516	0.6
123.00817	1.2
123.08048	0.5
125.02360	17.8
125.05991	2.6
125.09621	0.6
135.04445	1.7
135.08069	1.4
135.11694	1.3
143.03407	36.6
153.01820	100.0
153.02963	22.9
153.05244	2.3
153.09076	2.1
153.12729	2.2
154.02176	1.4
154.12286	3.6
167.98422	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01587	1.5
51.02379	5.1
55.01866	2.6
55.05513	4.0
56.96563	0.4
59.05001	0.9
59.29156	0.3
65.03942	1.5
67.05493	1.8
68.99783	0.6
69.03429	3.2
69.07059	3.0
70.89063	0.9
70.94260	1.0
71.04989	2.8
71.94112	0.5
73.06556	1.5
79.01854	55.5
79.05489	3.3
80.02193	1.0
81.07050	8.8
83.04981	6.2
87.00830	0.7
89.30743	0.4
91.05477	1.5
93.03423	1.2
93.07043	4.9
95.01347	0.6
95.04967	5.3
95.08619	2.5
96.08128	3.4
97.02894	8.7
97.03500	0.6
97.06538	2.0
97.49811	0.4
105.07024	0.6
107.01317	13.2
107.08611	4.7
109.06509	0.6
109.10171	2.2
109.10802	0.4
111.02660	3.0
111.04446	1.2
111.08080	1.6
111.96887	0.7
115.53955	0.3
123.00771	1.9
125.02353	19.2
125.06008	1.1
125.09590	0.5
126.22870	0.4
133.11757	1.1
135.08057	0.4
135.11652	2.2
136.52637	0.4
143.03397	39.2
144.03703	0.6
153.01846	100.0
153.02977	24.1
153.07269	2.7
153.09126	1.5
153.12798	2.4
154.02225	1.6
154.12263	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	151.1481
Annotation	(E)-4,8-Dimethyl-1,3,7-nonatriene
Peak:m/z	Relative Intensity
53.03939	0.9
55.05512	5.6
57.00969	0.7
57.06809	1.3
57.07075	16.3
62.58932	1.0
65.03927	0.9
67.05508	35.9
68.57660	0.7
69.07068	9.9
71.08636	5.8
77.37658	0.8
79.05497	4.8
81.07060	36.6
83.08619	3.5
91.05482	2.9
93.07032	6.1
95.04972	1.7
95.08609	100.0
96.08945	1.1
97.06503	0.8
105.07043	5.0
107.08593	5.1
107.18129	0.7
108.09382	0.9
109.06538	7.6
109.10159	79.5
110.10497	2.1
110.21481	0.7
121.10167	1.3
122.10860	0.8
123.08075	7.8
123.11707	7.2
133.10115	2.3
135.08080	2.1
136.08841	11.6
151.11188	85.3
151.14799	18.2
152.11537	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1119
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03931	3.0
55.01866	1.4
55.05264	1.5
55.05514	24.5
56.96561	1.8
57.03432	0.9
57.07060	2.0
59.04996	1.5
59.27469	0.6
65.03931	2.1
67.05173	0.8
67.05508	14.8
68.47052	0.6
68.95296	0.7
68.99750	0.7
69.03419	3.1
69.07063	3.8
70.66193	0.7
71.05022	0.6
71.31129	1.4
79.05495	7.8
81.03415	1.1
81.07060	29.4
83.05003	1.0
88.38987	0.7
91.05477	9.9
91.11604	0.6
93.07050	9.5
95.04970	8.3
95.08605	10.6
97.06513	5.2
98.01312	0.6
98.97560	2.2
103.05474	1.3
105.07034	14.5
107.08607	9.0
108.05754	1.6
108.09414	0.7
109.06528	18.3
109.09446	1.2
109.10158	16.1
110.01297	1.1
110.07248	0.9
110.97558	1.0
119.01799	1.1
119.04944	1.1
121.06522	1.1
121.10128	3.3
123.04454	1.8
123.08071	9.2
123.11701	7.3
128.02315	1.8
128.98552	0.8
131.08565	0.8
133.06494	1.0
133.10149	5.9
136.05240	0.9
136.08839	3.3
151.02843	0.9
151.03889	5.9
151.04990	1.3
151.07585	9.3
151.11188	100.0
152.11510	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
51.61922	0.4
53.03954	0.7
54.88921	0.4
55.01855	1.0
55.05513	2.6
55.51422	0.5
56.96564	0.7
57.03439	0.8
57.07063	1.2
59.04992	1.6
65.03932	1.1
67.05512	7.6
69.03423	1.4
69.07057	1.8
71.61341	0.8
79.05495	4.4
81.03425	0.6
81.07063	13.1
83.08605	0.4
91.05483	5.4
93.07042	5.0
95.04990	3.9
95.08599	5.0
97.06529	1.5
98.97581	0.5
103.15350	0.4
105.07030	10.3
107.08598	4.5
108.05755	0.9
109.06524	12.5
109.10159	9.0
119.01831	0.5
119.06118	0.7
121.06516	0.8
121.10146	3.4
123.08076	5.1
123.11700	4.3
126.21828	0.4
131.08591	0.6
133.06598	0.4
133.10127	4.5
136.08809	1.4
151.03856	1.2
151.07584	1.7
151.11186	100.0
152.11517	2.7
153.54808	0.4
166.17845	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1118
Annotation	4-Isopropyl-2-methylphenol
Peak:m/z	Relative Intensity
53.03934	1.0
55.01854	1.0
55.05512	2.0
56.96552	1.0
57.03431	1.3
57.07055	1.2
59.04994	1.1
62.54592	0.3
64.40885	0.4
65.03922	1.0
67.05169	0.4
67.05505	7.3
69.03415	1.9
69.07073	1.7
70.20751	0.4
71.31031	0.6
73.02902	0.5
77.03917	0.4
79.05499	5.8
81.03413	1.0
81.07056	17.2
83.04976	0.7
91.05483	6.7
93.07048	4.8
95.04968	3.2
95.08612	6.4
95.12604	0.4
97.06525	1.0
98.97591	0.7
105.07028	11.5
107.04955	2.4
107.08600	6.4
108.05730	1.1
109.06530	14.3
109.10155	10.2
110.01223	0.5
110.97530	0.4
114.14007	0.4
115.05408	0.4
116.98569	0.5
118.34509	0.4
119.04962	0.7
121.06498	1.2
121.10143	3.0
123.04475	0.4
123.08080	6.5
123.10899	0.6
123.11710	4.7
124.07539	1.9
128.02342	0.5
131.08539	0.9
133.02823	0.5
133.10139	5.2
135.04427	0.4
136.05281	0.5
136.08836	2.1
141.90495	0.4
151.03981	2.1
151.07579	7.7
151.11183	100.0
152.11565	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	149.1326
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03939	2.6
55.05493	4.4
56.36156	1.5
57.07078	2.1
60.57138	1.4
65.03944	22.4
69.07066	5.6
71.18425	3.6
71.63814	1.4
77.03924	1.5
79.05492	16.0
79.25739	1.3
81.07054	2.8
82.95055	1.2
87.05279	1.1
91.05479	21.9
93.03410	3.6
93.07047	20.0
95.04949	2.5
95.08636	1.2
98.01360	1.2
98.20885	1.2
102.61353	1.1
103.05466	6.8
105.04505	1.5
105.07037	44.8
107.08598	40.7
107.09200	0.9
109.06524	2.1
111.04431	4.0
119.08589	14.0
121.02863	21.6
121.03976	5.1
121.06519	1.3
121.10146	100.0
122.10432	2.1
122.67107	1.2
123.08064	4.3
129.06947	1.2
131.04918	4.2
131.08580	2.0
133.07613	4.5
133.10081	1.9
134.10934	2.2
149.02341	39.2
149.09663	10.4
149.13258	12.5
150.02620	1.3
151.02434	1.6
154.38123	1.4
157.56003	1.2
168.35971	1.2
169.03503	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Multifidene
Peak:m/z	Relative Intensity
53.03942	4.6
55.01870	3.3
55.05501	6.8
65.03594	2.9
65.03941	50.3
67.05500	4.0
69.07077	9.8
71.33542	1.9
79.05499	19.1
81.07059	9.2
84.84059	1.5
91.05479	33.6
93.03404	10.6
93.07047	47.9
95.04963	4.0
95.08585	2.0
98.03687	1.8
103.05461	5.2
104.72131	1.4
105.04533	1.7
105.07032	22.5
107.04919	4.0
107.08593	50.2
109.06485	4.1
109.65184	1.4
111.04462	9.0
115.05444	2.6
116.06215	4.9
119.03447	1.4
119.08559	5.4
121.02864	53.8
121.03976	17.4
121.06480	7.1
121.09289	3.2
121.10148	41.7
129.07095	2.0
131.08591	8.0
133.06522	1.7
133.07561	1.6
146.53888	1.4
149.02348	100.0
149.05969	3.3
149.09630	31.8
149.13228	14.6
150.36885	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03937	3.6
55.01851	1.6
55.05500	2.6
65.03940	9.5
67.05504	1.0
69.31400	6.6
77.03883	1.1
79.05498	20.3
81.07047	2.9
91.05482	25.2
92.05813	0.9
93.03403	3.2
93.06454	1.8
93.07047	36.5
95.04987	4.0
97.89001	0.8
103.05468	5.3
105.04521	1.5
105.07034	30.5
106.07849	5.0
107.08579	3.3
109.06477	1.7
111.04445	0.8
115.05480	1.2
116.06235	3.2
116.59604	0.7
119.08576	5.8
121.02865	11.5
121.03974	3.4
121.06496	4.4
121.10148	23.9
123.08038	2.2
131.08578	2.8
133.07654	1.4
134.07254	0.9
149.02356	18.4
149.09622	100.0
150.09976	2.6
152.32088	0.9
155.58022	0.8
163.47783	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
53.03939	3.9
55.01870	1.6
55.05507	2.0
65.03942	7.0
66.53276	0.9
67.05505	1.5
69.92242	4.5
77.03919	1.1
79.05492	17.1
80.02599	1.2
81.07050	3.1
83.72616	0.9
91.04954	1.5
91.05488	20.9
93.07050	35.8
94.44866	1.0
95.04960	4.2
95.16467	0.9
103.05455	6.8
105.06378	1.7
105.07041	27.3
106.07858	5.0
107.08607	1.8
109.92012	1.0
113.43690	1.2
116.06228	1.6
119.08601	5.3
121.02864	8.4
121.03930	2.3
121.06470	1.5
121.09293	1.6
121.10151	24.1
123.08067	3.0
131.08551	1.3
133.07642	1.8
149.02338	16.8
149.03467	1.3
149.09627	100.0
150.09985	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.91468	1.1
53.03940	5.8
55.01858	1.9
55.05497	4.1
57.03434	1.4
57.81843	1.1
58.81443	1.1
61.44529	1.1
65.03940	21.2
67.05489	2.5
69.07069	4.2
70.94833	2.0
70.95154	1.5
79.05054	1.6
79.05495	29.4
81.07043	5.4
87.88982	1.0
91.05481	36.4
91.06052	1.9
93.03397	4.6
93.06456	2.7
93.07047	51.2
94.07383	1.2
95.04978	5.1
103.05466	8.1
105.04508	2.2
105.07029	36.7
106.04140	1.3
106.07799	5.3
107.04955	34.6
107.08595	17.7
109.06492	1.2
111.04434	3.8
115.05471	1.5
116.06218	5.4
119.06087	1.4
119.08617	6.2
121.02864	25.8
121.03961	6.2
121.06496	5.1
121.09292	2.0
121.10141	31.5
123.08064	3.3
124.89615	1.0
129.06987	1.3
131.04947	1.2
131.08603	6.5
133.07607	3.1
149.02338	45.2
149.09621	100.0
149.13266	3.7
150.09935	2.4
151.72304	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.32455	1.0
53.03943	3.9
53.83173	1.1
55.01882	3.1
55.05506	4.6
65.03944	52.2
67.05497	1.6
68.34219	1.2
69.03418	2.3
69.07079	7.7
70.84708	2.9
79.05499	19.2
79.73249	1.1
80.02668	1.4
81.07072	6.1
91.05486	30.1
93.03403	11.2
93.07052	39.1
95.04974	6.3
95.08591	1.8
98.03687	1.8
103.05480	5.9
105.07032	20.5
107.04961	2.8
107.08602	30.6
109.06519	2.1
111.04436	6.4
115.05466	1.3
116.06242	5.3
119.08588	4.0
121.02869	56.1
121.03983	18.6
121.06530	9.2
121.10147	30.0
122.03175	1.4
123.08121	2.3
129.06989	2.0
131.08577	9.5
133.07607	2.3
134.07230	1.2
149.02350	100.0
149.05954	2.9
149.09627	41.7
149.13242	9.0
150.02719	1.2
150.09981	1.3
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	L-Glutamate
Peak:m/z	Relative Intensity
56.05039	6.6
56.96568	0.7
60.04520	0.7
70.03762	0.6
70.06607	2.2
70.06932	0.5
71.44814	0.5
84.04506	100.0
85.02910	2.0
85.04833	1.3
88.03984	1.5
89.62713	0.4
98.21438	0.7
99.50694	0.4
102.05541	16.1
121.02861	0.7
130.05003	7.8
140.72128	0.4
145.96904	0.5
148.06079	1.2
149.02393	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0962
Annotation	4-Phenylbutan-2-one
Peak:m/z	Relative Intensity
53.03948	4.5
53.54822	1.6
55.01863	3.2
55.10602	1.6
60.13646	1.5
65.03934	4.1
69.03420	4.9
71.05050	5.2
77.03931	1.8
79.05498	27.0
87.05331	1.7
91.05489	72.8
93.07051	36.1
95.04957	3.7
99.24496	1.5
103.05473	11.5
105.04543	2.0
105.07036	57.3
106.07822	6.1
107.08606	2.9
109.06510	7.2
115.05441	12.0
116.06251	31.8
119.08566	8.7
121.02866	2.3
121.06511	18.1
121.10149	41.4
123.08067	7.7
129.07005	7.5
131.08574	24.3
133.06558	2.7
133.07590	3.1
134.07291	5.0
147.08047	2.7
149.02356	8.9
149.09625	100.0
149.28677	1.8
150.10022	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	147.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	17.0
62.97252	1.0
65.03934	3.4
69.03432	1.8
69.07069	100.0
69.65382	7.6
83.08622	2.0
91.05482	33.2
96.37000	1.2
98.21458	2.3
105.07030	7.6
111.11732	4.4
114.65856	1.2
117.07053	2.4
119.04944	23.4
119.08575	10.5
131.27736	1.1
137.19690	1.1
145.10085	1.4
147.04422	12.0
147.11728	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	147.0653
Annotation	3-Hydroxy-5-oxohexanoate
Peak:m/z	Relative Intensity
53.03939	3.4
55.01857	4.6
55.05513	7.1
56.05046	5.5
57.03431	6.8
61.02929	6.8
62.09321	1.1
65.03948	1.9
69.03432	51.6
69.78286	4.4
71.04991	8.6
73.02925	6.3
81.03412	4.1
83.04977	16.3
84.04506	100.0
84.08141	12.4
85.02903	24.3
87.04469	2.2
91.05486	8.5
99.04455	3.3
101.07100	1.2
102.05549	8.4
103.03954	15.1
111.04429	4.1
119.04939	6.8
129.05417	1.1
130.05016	19.2
136.75949	1.0
147.04390	4.3
147.06508	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	147.0764
Annotation	Glutamine
Peak:m/z	Relative Intensity
53.03943	1.2
55.01859	1.2
55.05505	1.6
56.05038	4.4
57.03430	2.6
60.04557	0.7
61.02919	2.0
67.05521	0.5
69.03062	1.0
69.03432	15.0
70.06596	0.5
70.50574	0.9
70.50947	0.7
71.04984	3.0
72.08180	0.6
73.02916	1.8
80.02895	0.4
81.01902	0.8
81.03417	1.2
81.51959	0.6
83.04984	3.9
83.52393	0.5
84.04506	100.0
84.08143	10.7
85.02908	7.9
85.04846	0.9
85.06528	0.8
87.04465	1.6
87.06403	1.0
88.02695	0.5
88.04004	0.8
88.04789	1.4
91.05484	0.7
97.02882	0.5
99.04462	0.5
101.00927	1.0
101.01669	0.4
101.07144	2.5
102.05552	5.4
103.02497	0.5
103.03253	0.8
103.03947	4.4
110.16116	0.4
111.04455	1.6
112.03719	1.9
118.96777	0.4
119.01881	0.9
119.04954	0.5
121.01740	0.5
121.04259	2.5
121.54282	0.6
122.20541	0.5
128.48831	0.5
129.68250	0.5
130.05006	23.5
130.08594	1.2
131.01900	0.9
133.03432	0.6
143.01939	0.6
147.06543	3.2
147.07610	0.9
147.09624	0.4
148.05165	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03947	0.4
65.03941	11.0
69.03431	1.1
69.29072	2.2
69.29504	2.2
70.37240	0.5
77.03973	0.5
83.04977	0.7
91.05485	100.0
92.05820	1.8
95.60025	0.5
103.03982	0.6
105.07032	1.6
119.04948	89.9
119.08576	2.0
120.05296	1.5
121.61733	0.5
123.91222	0.5
123.96470	0.5
136.84315	0.6
147.04416	32.4
147.08037	0.9
147.11725	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
53.03945	0.6
53.40649	0.5
55.05489	0.6
57.50886	0.5
65.03946	11.6
69.03431	1.5
69.32258	0.6
69.40167	0.6
69.49892	4.5
79.05472	0.6
85.02899	0.8
91.05484	100.0
92.05787	1.4
105.07049	2.9
119.04947	90.1
119.08577	3.6
120.05299	1.8
147.04419	35.1
147.11661	1.5
148.04723	0.8
149.75888	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0442
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03603	0.8
65.03944	12.3
69.03443	1.2
69.70531	3.4
86.62498	0.6
91.05487	100.0
92.05817	1.9
95.34290	0.6
98.20830	1.3
101.95814	0.6
105.07044	1.9
117.07063	1.0
119.04951	93.1
119.08566	2.9
120.05281	2.4
121.08975	0.6
127.33746	0.6
129.86720	0.5
147.04425	34.4
147.08026	0.7
147.11633	1.1
148.04794	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1224
Annotation	7-Octene-1,6-diol
Peak:m/z	Relative Intensity
62.60640	1.0
65.05334	1.1
67.05511	1.1
69.32769	11.3
71.04996	100.0
72.05305	1.9
85.06512	1.4
89.63272	1.1
96.44692	1.0
98.21500	2.3
99.04440	4.2
105.07011	3.2
117.07026	1.8
127.11198	48.1
130.07787	3.0
134.26152	1.2
139.37323	1.0
145.10124	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	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.48709	0.5
51.02381	0.5
51.54787	0.4
53.03935	1.1
55.05509	1.3
57.00105	0.6
57.03429	0.9
64.92810	3.1
65.03946	11.0
66.47823	0.5
69.03437	6.6
71.04997	1.2
71.51987	0.5
79.05508	1.1
81.03460	0.6
83.04973	0.8
85.02908	3.0
91.05486	100.0
92.05798	1.3
98.21516	1.3
103.03949	2.5
103.05468	0.8
105.07035	7.6
117.07018	1.9
119.04953	87.1
119.08588	9.7
120.05294	1.9
123.96476	4.1
129.06973	1.0
147.04424	30.1
147.06412	1.2
147.08092	1.2
147.11676	3.6
153.29568	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.9
55.01861	5.9
57.03433	4.1
57.49459	1.9
62.92986	6.7
65.03374	1.7
67.05519	9.0
69.03431	8.2
71.05003	22.3
77.74694	1.5
79.05475	3.7
79.49948	1.5
81.03427	12.5
82.37045	1.7
83.05518	1.6
85.02906	9.9
89.03929	4.1
91.05485	31.0
96.81509	1.7
97.02919	4.1
99.04464	50.3
100.07635	2.5
103.05479	5.3
105.07035	68.6
106.19367	1.5
115.05434	18.3
116.06264	5.2
117.07027	59.9
121.96635	6.3
127.03899	11.4
128.06212	7.7
129.07002	14.3
130.07791	51.0
143.08557	9.7
145.03888	1.8
145.04977	5.1
145.06477	10.9
145.10133	100.0
146.05974	2.3
155.06065	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	145.1011
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20609	0.9
53.03933	3.1
55.01875	1.2
57.03424	2.3
58.93511	0.8
62.92986	2.4
67.05488	1.0
69.03420	2.8
71.01344	0.9
71.04980	6.8
76.64163	0.8
77.45062	0.9
79.05479	1.0
81.03410	2.8
81.43835	0.9
82.06565	1.6
85.02898	4.9
91.05486	20.6
97.02893	2.0
98.21613	1.5
99.04465	18.0
100.07587	1.4
101.00231	0.8
103.05451	2.8
105.07036	67.9
106.07357	1.2
115.05459	13.8
116.06237	3.5
117.07024	34.2
121.96631	4.3
127.03915	2.7
127.13206	1.0
128.06232	5.8
129.07001	14.3
130.07797	52.3
143.08560	9.3
145.05006	1.7
145.06483	4.2
145.10124	100.0
146.10486	2.2
155.05969	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58996	1.3
53.03952	13.1
55.01859	5.6
57.03418	5.1
62.65592	1.5
62.92970	4.2
65.03924	1.5
67.05505	8.9
69.03429	8.9
69.10409	1.4
70.13381	5.4
70.13761	2.8
71.01335	2.0
71.04996	24.1
79.05470	4.3
81.03423	14.1
85.02910	12.5
85.08463	2.3
89.03914	4.1
91.05486	30.4
97.02886	5.1
99.04459	54.9
100.07626	3.3
103.05475	4.3
105.07039	64.3
109.02911	2.3
115.03952	1.6
115.05457	20.0
116.06227	6.2
117.03397	3.2
117.07027	54.2
121.96666	7.3
127.03916	10.8
127.13144	2.1
128.06226	6.7
129.07024	10.8
130.07794	53.1
134.53067	1.8
143.08560	9.1
145.04979	4.4
145.06520	8.3
145.10129	100.0
146.10458	1.7
155.06042	2.3
161.55045	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1384
Annotation	Conhydrine
Peak:m/z	Relative Intensity
55.05500	2.3
56.05040	4.7
67.05506	18.6
70.06597	5.6
70.77678	2.1
70.78033	0.9
71.04976	1.4
80.51868	0.7
81.07053	2.5
84.08147	100.0
85.61214	0.7
88.76665	0.9
97.08898	2.2
98.09682	5.8
109.10167	3.0
111.48202	0.8
114.27681	0.7
121.65643	0.8
126.12799	57.5
127.13184	1.3
144.13847	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	144.1384
Annotation	(+)-Allosedridine
Peak:m/z	Relative Intensity
53.03958	2.1
55.01880	0.8
55.05519	3.9
56.05038	4.6
57.03446	1.1
62.92990	1.3
67.05161	1.1
67.05508	16.7
69.03440	1.3
70.06594	6.3
70.60715	2.4
71.04997	5.0
81.03416	2.0
81.07076	2.6
84.08146	100.0
85.02918	5.1
85.06583	0.9
85.08473	1.4
97.00791	1.2
97.02915	1.0
97.08921	2.0
98.06055	3.6
98.09686	7.0
99.04456	10.1
102.96895	1.8
109.10170	3.4
120.97965	1.1
121.00830	0.9
121.96636	1.5
126.02759	1.4
126.05537	1.3
126.12798	54.5
127.03946	2.1
130.28633	0.8
139.01839	2.3
144.02153	1.6
144.03735	4.1
144.06732	1.5
144.08084	13.0
144.10167	1.3
144.13843	57.9
145.04991	0.9
145.14227	1.1
152.07542	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33128	2.6
53.86568	2.6
55.01874	2.2
58.38187	2.6
69.03433	100.0
70.85164	5.6
70.85502	3.7
71.18044	2.4
73.33698	2.8
74.67913	2.3
77.09151	2.9
79.98624	2.2
97.02897	18.5
125.02338	21.9
125.09612	16.7
128.06224	13.7
143.03413	91.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0656
Annotation	(+)-SQ 26517
Peak:m/z	Relative Intensity
52.32302	1.2
56.05036	3.7
57.03438	7.1
60.04255	1.7
60.04530	21.7
62.92989	12.5
67.05511	3.6
70.06596	9.2
71.04986	3.7
73.36566	1.4
74.06066	1.3
81.03415	1.7
84.04501	7.9
84.08142	20.5
85.02907	100.0
86.03244	1.7
91.78036	1.3
97.02899	2.4
98.03188	2.6
98.06050	18.4
98.09694	10.8
99.04488	6.3
102.05550	3.0
121.96646	16.0
126.02670	2.8
126.05510	9.8
126.12796	6.2
129.07008	1.5
144.03775	8.1
144.06566	32.3
144.08073	22.7
144.10188	4.6
144.13814	7.3
144.98204	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	144.1019
Annotation	Stachydrine
Peak:m/z	Relative Intensity
55.05513	2.8
56.05040	3.4
56.92025	0.3
57.03443	0.4
58.06603	15.7
65.03942	0.5
67.05508	12.3
69.03426	0.8
69.07054	0.6
70.06593	4.2
71.04992	1.4
71.50121	0.7
72.04006	0.3
72.08160	0.9
81.07053	1.7
82.06569	0.7
83.04966	0.5
83.07338	0.5
83.08633	0.5
84.04498	0.5
84.08145	95.7
84.71555	0.4
85.02901	1.0
85.06561	0.7
85.08476	1.0
85.63752	0.3
86.08826	0.5
97.08911	1.3
98.06047	0.6
98.09695	6.3
99.04475	1.1
99.10040	0.4
100.10375	0.4
102.00964	1.0
102.05535	2.3
103.00651	0.4
107.03123	0.3
109.10158	2.8
119.01913	0.6
120.01967	2.6
121.01644	0.4
124.11230	0.4
126.12797	39.6
128.07092	0.5
144.10204	100.0
144.13840	51.7
145.03539	0.4
145.10542	1.4
145.14207	0.5
150.70215	0.3
152.48262	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.6
55.05513	3.2
57.20356	1.4
69.03434	100.0
69.07077	1.4
71.08279	3.4
71.08611	1.7
84.08145	3.9
85.08485	1.9
94.92986	1.3
97.02905	15.1
101.00928	1.6
110.96243	1.3
119.01891	2.8
125.02355	17.7
125.09629	15.1
128.06258	8.3
143.03409	82.2
143.08517	1.7
144.08038	2.4
144.13820	2.0
151.05341	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	Cleroindicin A
Peak:m/z	Relative Intensity
53.03926	6.3
55.01859	11.9
55.05514	100.0
57.03442	57.2
59.05008	28.9
59.05262	4.4
59.05397	2.9
59.87748	4.1
62.00996	3.6
62.22499	4.4
67.05495	9.8
67.74026	3.8
68.39102	3.5
69.03433	24.6
69.07053	12.6
69.48127	14.1
69.48557	16.1
71.05000	39.2
79.05499	25.0
81.07058	33.6
83.04984	31.7
83.08611	12.8
86.57957	3.8
91.05470	8.4
97.02896	11.6
97.06525	27.6
97.10153	14.8
101.00876	9.2
101.05978	4.4
107.08601	17.1
119.01910	12.4
125.02310	10.5
125.09625	51.4
126.05507	8.2
127.12692	4.0
143.03410	53.4
144.02126	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	143.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85033	3.4
55.01866	6.9
55.05513	33.7
56.33275	3.2
60.07164	3.0
69.03432	24.2
69.07062	7.4
70.74532	8.6
71.57852	2.9
78.04512	3.0
79.05502	16.8
81.07059	43.0
83.04974	14.9
84.08138	13.2
85.08490	6.4
97.02897	14.2
97.06522	7.8
99.08090	38.0
101.00895	5.4
101.95009	4.9
119.01952	11.1
125.02341	17.8
125.09631	21.7
125.18136	3.2
143.03406	100.0
143.12582	4.8
144.08096	9.4
144.13841	7.2
161.62254	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	143.1068
Annotation	Cleroindicin A
Peak:m/z	Relative Intensity
55.01855	7.0
55.05516	57.3
57.03443	34.5
59.04739	2.3
59.04997	16.1
67.05495	6.4
69.03437	17.3
69.07059	7.3
69.48795	18.8
70.06577	3.0
71.05000	23.3
78.03431	2.7
79.05500	14.2
81.07061	21.8
83.04989	20.7
83.08632	6.4
84.08139	10.5
85.08470	4.2
91.05492	4.9
97.02904	17.6
97.06510	14.0
97.10159	7.1
101.00892	6.6
101.06004	2.9
101.95073	3.5
102.96863	3.8
104.05998	2.5
107.08591	10.0
119.01890	11.5
125.02366	18.1
125.09650	29.9
126.05540	3.8
126.12759	3.8
136.11096	2.3
143.03403	100.0
143.10641	3.1
144.02112	10.7
144.08063	3.0
144.13811	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	142.1228
Annotation	Hygrine
Peak:m/z	Relative Intensity
55.05510	4.2
55.73617	0.6
56.05032	2.7
57.91318	0.6
60.09980	0.5
60.89687	0.6
62.82711	0.7
67.05490	1.0
69.91521	3.3
70.06583	0.9
81.07056	1.7
82.06585	17.4
84.08147	100.0
85.08489	1.1
88.51267	0.5
96.08128	2.0
98.09698	13.4
98.21463	0.7
119.01916	1.1
124.11233	27.9
124.12141	1.4
142.12277	22.5
160.84171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
56.05033	2.8
58.09388	0.4
69.91306	3.0
69.91696	0.6
70.06591	2.1
79.05514	1.3
81.07044	2.8
82.06587	10.2
84.08146	100.0
85.08502	0.8
93.38189	0.6
96.08129	1.3
98.09696	39.1
98.20777	0.7
101.22031	0.4
104.27561	0.5
118.91839	0.5
124.11231	18.7
142.12279	22.5
153.42177	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95060	9.6
58.95861	10.2
71.36803	19.8
72.73701	9.1
101.00896	49.9
119.01918	100.0
137.02916	17.5
142.03456	27.6
144.27255	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	142.1228
Annotation	PELLETIERINE
Peak:m/z	Relative Intensity
50.90369	0.3
51.89841	0.4
55.05510	1.0
56.05047	2.9
58.97544	0.4
64.52564	0.4
69.90459	2.2
69.90760	0.7
70.06585	0.7
74.25788	0.5
78.74856	0.4
81.07060	0.9
82.06596	3.2
84.08144	100.0
85.08459	0.6
95.13736	0.3
98.09695	13.8
114.59052	0.4
119.01924	0.5
124.11233	6.9
142.12282	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03930	6.4
55.01865	7.0
55.05514	22.2
56.96579	19.6
57.03426	7.1
57.07076	8.3
59.04991	13.3
64.84735	3.9
65.03922	15.2
67.05491	15.1
69.03076	6.0
69.03432	100.0
69.07074	20.9
69.47726	3.1
69.48064	31.7
74.87096	3.4
79.05485	16.9
81.07042	9.5
83.04972	49.0
91.05495	12.6
93.03387	6.4
93.07045	44.7
95.04951	9.2
95.08611	41.3
97.06534	40.8
98.20735	8.2
98.97585	27.7
98.98457	18.3
105.07045	24.9
109.10155	4.7
110.07310	4.5
111.04423	11.8
111.08070	11.4
112.03992	4.0
116.98618	16.7
118.78114	3.7
119.08593	6.1
121.02906	6.8
121.09293	6.2
121.10146	78.5
123.08077	5.1
134.99669	7.5
139.03885	8.2
139.07562	5.5
139.11185	94.9
148.44119	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	139.1117
Annotation	Nona-2,6-dienal
Peak:m/z	Relative Intensity
53.03937	1.8
55.01855	1.6
55.05508	7.3
55.22529	0.9
56.96568	7.9
57.03431	1.1
57.07060	3.6
59.04992	2.9
61.65931	1.0
65.03940	2.2
67.05495	3.3
68.99798	1.0
69.03431	100.0
69.07063	5.4
70.75078	0.8
71.52961	1.8
79.05488	6.6
81.07041	3.0
83.04617	0.9
83.04990	10.5
84.34032	0.9
88.32893	0.9
91.05483	3.9
91.17484	0.9
93.03426	1.3
93.07045	12.7
95.04958	3.9
95.08612	6.8
97.06525	13.3
98.97592	18.0
98.98470	3.5
105.07037	4.8
109.06516	0.9
110.07239	0.9
111.04433	2.8
111.08074	1.8
116.98631	10.1
121.02879	1.8
121.10142	12.7
134.99681	3.6
139.03883	1.5
139.07544	1.4
139.11182	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.039
Annotation	2-Hydroxy-5-methylquinone
Peak:m/z	Relative Intensity
51.02352	1.9
53.03946	12.5
53.33144	1.4
55.01880	17.6
55.05513	9.4
56.96570	8.9
57.03423	2.4
59.05000	3.1
65.03946	52.3
67.01875	12.9
67.05506	30.2
67.82190	1.5
68.99792	33.8
69.03429	20.4
69.07058	6.3
71.01353	5.9
71.60691	1.9
76.99974	1.5
77.03902	2.9
79.01822	3.2
79.05492	4.1
81.07026	4.4
83.04970	22.0
83.37442	1.9
91.05473	6.2
93.03409	37.0
93.07056	19.3
95.04974	16.6
95.08598	6.9
97.02887	5.3
97.06524	10.4
98.97575	16.7
98.98454	11.9
105.04538	2.1
105.07040	3.5
111.04443	36.8
111.08074	7.3
111.91537	1.7
116.98634	14.2
121.02892	13.1
121.03651	2.1
121.06480	5.2
121.10160	7.4
124.05215	4.8
125.02380	3.1
130.72231	1.7
134.99660	3.9
139.03911	100.0
139.07567	13.7
139.11208	11.2
153.93857	1.9
159.61327	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.1326
Annotation	alpha-Terpinene
Peak:m/z	Relative Intensity
51.02349	1.3
53.03942	3.4
55.01859	2.5
55.05510	5.9
57.03426	0.9
57.07077	5.3
65.03941	4.0
66.04723	7.7
66.90635	0.8
67.05505	40.2
69.03426	2.9
69.07065	4.4
69.29565	7.2
71.36920	0.7
77.03925	1.4
79.05489	16.2
81.03407	3.1
81.07056	59.4
83.92843	0.7
90.31705	0.8
91.04948	1.3
91.05482	17.2
91.06049	1.0
93.07047	10.7
94.04186	48.4
95.04975	6.1
95.08604	75.8
96.08943	0.8
105.04599	1.0
107.04928	4.3
107.08588	2.6
109.02883	1.1
109.06516	9.1
109.10154	11.7
110.06030	0.8
117.07022	1.0
119.08574	6.4
121.06509	2.3
121.13834	0.8
122.03648	64.5
122.07274	8.3
123.03973	1.0
137.02460	6.8
137.05974	100.0
137.09599	20.3
137.13222	5.1
138.05484	1.9
138.06390	2.5
138.09081	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03937	3.3
55.01862	1.1
55.05501	2.4
60.87997	0.8
63.16201	0.7
65.03940	1.6
66.04706	4.8
67.05508	26.9
69.03416	1.7
69.07062	1.0
71.30888	1.6
77.03910	1.3
79.05495	7.6
81.03426	1.3
81.07059	10.6
91.05480	13.3
93.07052	4.9
93.59457	0.8
94.04195	25.0
94.07803	2.0
95.04973	4.0
95.08608	8.1
97.49049	1.1
103.05473	1.4
104.06252	1.2
105.03468	1.0
105.04527	1.0
107.04266	1.6
107.04960	23.1
107.08608	1.5
109.06523	2.1
109.10159	29.6
117.07022	1.3
119.08584	13.7
121.06506	9.2
122.03659	35.5
122.07288	100.0
135.08032	4.1
137.02467	1.8
137.05983	53.5
137.09618	84.4
138.09920	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0962
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03926	5.4
55.01862	4.7
55.05511	11.4
57.03426	2.9
65.03936	5.8
67.05508	100.0
69.03416	9.1
69.07079	5.9
69.73972	2.1
77.03892	3.0
79.05500	16.3
81.03404	6.9
81.07060	33.4
91.05483	48.3
93.07051	19.9
94.04194	35.3
95.04964	19.2
95.08598	21.8
105.07024	10.3
107.04958	7.8
107.08596	51.1
108.05739	4.1
109.06524	57.5
109.09443	3.9
109.10156	58.9
117.06998	6.0
119.06059	7.2
119.08578	22.3
122.03646	37.2
122.07272	10.4
137.02335	10.8
137.03471	6.2
137.05981	66.3
137.09621	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
50.27374	0.5
51.02385	1.2
53.03944	3.0
55.01868	2.3
55.05502	2.3
56.96549	0.7
57.07056	0.6
61.66682	0.5
62.65859	0.5
65.03926	2.8
66.04725	6.3
67.05505	21.2
69.03416	2.3
69.07054	1.6
70.71423	1.2
77.03922	1.5
79.05499	8.7
81.03403	1.7
81.07055	15.4
91.05484	16.7
92.05805	0.8
93.07043	5.6
94.04187	46.6
94.07826	1.2
95.04436	0.7
95.04977	6.1
95.08602	11.9
96.04488	0.7
103.05435	0.7
104.06250	1.1
105.03398	0.7
105.04525	1.3
107.04958	17.1
107.08581	1.8
109.06535	5.3
109.10154	20.8
110.06108	0.5
112.94609	0.5
117.07054	1.6
119.04958	1.0
119.08579	8.7
120.04489	0.6
121.06501	4.9
122.03647	65.9
122.07285	54.0
123.07623	1.1
131.86150	0.6
135.08038	1.9
136.96289	0.5
137.02510	5.0
137.05977	100.0
137.09608	46.7
137.13197	0.7
138.05441	1.3
138.06357	1.2
138.09090	0.8
147.01923	0.6
149.07098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0599
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02382	0.7
52.33372	0.3
53.03949	2.1
55.01878	1.3
55.05518	1.2
57.07058	0.5
63.69007	0.4
65.03947	1.9
66.04728	7.0
67.05505	9.5
69.03439	1.2
69.07066	0.8
69.80272	2.2
77.03932	0.8
79.05492	6.2
81.03425	1.3
81.07063	9.3
82.33407	0.4
91.05485	7.8
92.05772	0.5
93.07084	1.9
94.04189	46.4
95.04994	2.4
95.08615	4.4
105.03416	0.6
105.04524	0.5
107.04951	2.9
107.08609	0.6
109.06522	2.9
109.10157	5.1
113.29407	0.4
119.04943	0.6
119.08603	1.7
121.06473	0.4
122.03650	66.0
122.07269	5.7
123.03973	0.9
134.36732	0.4
135.04437	0.7
137.02498	2.8
137.05978	100.0
137.09592	7.8
138.05437	0.5
138.06354	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.73234	0.5
51.02380	0.7
53.03942	2.4
55.01870	0.8
55.05504	0.8
55.13229	0.5
65.03943	2.1
66.04725	7.5
67.05508	7.3
69.03427	1.1
70.02744	1.1
70.03153	1.5
77.03933	1.0
79.05492	6.9
81.03406	0.9
81.07059	7.0
91.05481	6.5
93.07050	1.7
94.04191	52.3
95.04449	0.6
95.04976	1.9
95.08615	4.7
105.03414	0.7
105.04514	0.5
107.04954	4.8
109.06498	2.8
109.10172	4.1
119.04953	0.5
119.08569	2.3
121.06532	1.1
122.03654	73.1
122.07278	10.9
123.03983	1.1
137.02412	1.6
137.05983	100.0
137.09598	10.2
137.13261	0.5
138.06387	2.2
142.97534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03936	2.4
55.01860	1.3
55.86187	0.8
59.54749	0.7
65.03937	1.8
66.04729	6.9
66.70319	0.7
67.05501	2.3
67.93148	0.7
70.12786	1.2
70.13174	1.5
79.05495	3.8
81.03399	1.2
81.07069	4.3
91.05487	6.7
93.71818	0.6
94.04192	48.1
95.04999	1.4
95.08592	2.2
107.04951	1.4
109.06493	2.2
119.05004	0.9
122.03656	65.2
135.04370	1.0
137.02425	2.9
137.05981	100.0
138.05437	1.1
138.06364	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
51.02381	0.6
53.03946	1.5
55.01877	0.6
65.03930	1.8
66.00353	0.3
66.04724	8.4
67.05495	0.6
67.43892	0.3
69.94659	1.6
74.84565	0.3
75.66026	0.3
77.03932	0.8
79.05500	4.8
81.07059	2.1
91.05488	3.7
92.21959	0.3
94.04189	52.5
95.04975	1.1
98.21485	0.3
105.03378	0.7
105.04493	0.5
107.04948	2.0
109.06522	0.9
122.03651	74.9
123.04002	0.9
135.04434	0.8
137.05980	100.0
138.06317	1.6
157.82124	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	16.0
55.01876	10.4
55.05506	4.0
56.96569	12.5
57.03437	2.2
59.05013	1.6
60.09585	1.3
61.33720	1.3
65.03945	9.7
66.04714	5.3
67.05505	21.4
68.99790	7.2
69.03423	4.4
70.51759	3.9
77.03902	2.5
79.05493	19.2
81.03421	100.0
81.07059	36.4
91.05486	51.5
92.05024	1.3
92.05792	2.6
93.07053	14.7
94.04192	38.1
94.06548	2.4
95.01346	2.3
95.04978	10.4
95.06078	1.8
95.08607	15.4
96.02107	14.4
96.04520	1.9
98.97591	2.2
105.04527	1.8
107.04955	3.8
109.02881	10.9
109.06527	20.1
109.10160	5.7
110.06042	3.7
110.09663	1.9
111.00825	2.9
116.98643	2.4
119.04944	9.3
119.08600	2.0
121.02874	2.3
122.03654	44.2
122.07260	4.0
127.03939	12.5
128.98582	2.0
136.93166	3.6
137.02377	77.7
137.03488	5.5
137.05977	79.5
137.08005	2.7
137.09639	13.9
137.10641	1.4
137.11551	3.9
138.05489	11.4
138.09120	4.9
154.94185	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	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.3
55.05508	6.4
56.95820	0.8
57.07073	1.4
65.03931	3.8
67.05502	2.7
69.07067	2.7
69.62041	1.0
71.61023	1.0
71.61373	1.2
77.03922	1.9
78.93504	0.9
79.05494	22.3
81.07060	2.0
85.44781	0.9
91.05483	67.9
93.07045	48.8
95.04971	5.6
103.05469	1.9
105.04517	2.1
105.07035	32.9
106.07841	1.6
107.04957	2.0
107.08598	100.0
108.08942	1.1
109.06510	8.0
115.05449	2.8
117.07041	4.8
119.06081	4.5
119.08585	26.0
119.09445	1.4
120.09354	8.3
133.10120	3.0
135.04417	2.6
135.08055	11.4
135.10660	2.0
135.11688	36.9
136.02165	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	136.0758
Annotation	N-Benzylformamide
Peak:m/z	Relative Intensity
51.02379	2.2
53.03950	24.9
55.01866	2.4
56.01381	1.8
56.28222	1.2
65.03923	6.2
67.05510	9.1
68.05022	1.3
69.93761	2.1
69.94115	6.2
70.02947	2.3
77.03941	7.2
78.04698	2.8
79.05499	5.5
80.05012	2.6
81.03419	2.6
81.07053	5.3
82.03001	1.3
91.05486	58.7
92.05798	3.8
92.17518	1.2
93.05798	11.5
93.07047	28.9
94.04182	6.0
94.06576	2.7
94.07335	1.5
95.04976	26.9
95.08599	2.5
105.04526	10.1
107.04948	2.6
108.04463	3.7
108.08131	15.5
108.08875	2.1
109.01098	4.2
109.10150	2.8
118.06549	2.1
119.08606	1.4
122.03649	7.3
122.07300	7.0
126.05539	10.5
136.02180	30.2
136.06259	3.1
136.07582	100.0
137.02478	1.3
137.05991	13.7
137.07961	1.7
137.09593	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	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03946	4.2
54.39717	1.7
55.05512	6.1
65.03937	3.4
67.05515	2.6
70.90977	3.5
79.05496	21.0
81.07060	2.0
91.05484	64.3
92.98457	1.6
93.07052	41.7
95.04977	4.7
104.06270	1.7
105.07041	33.1
106.07907	1.9
107.08601	100.0
108.08979	3.0
109.06516	7.0
115.05497	3.1
117.07037	3.6
119.06106	5.7
119.08589	22.2
120.09367	8.2
135.08078	8.6
135.11713	27.0
141.86145	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03945	4.7
55.05501	6.1
57.07070	2.8
59.26786	1.7
65.03918	2.2
67.05508	2.2
69.07088	1.6
69.37712	8.5
69.38141	5.5
70.23042	1.5
79.05486	17.2
91.05482	47.5
93.07052	43.9
95.04975	4.0
105.04514	2.4
105.07034	26.8
107.08595	100.0
109.06516	5.7
117.07023	3.0
119.06053	3.1
119.08583	21.8
120.09353	7.4
135.11684	35.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0807
Annotation	o-Methylacetophenone
Peak:m/z	Relative Intensity
53.03957	2.4
55.01868	1.6
55.05508	1.3
65.03944	4.8
67.05517	3.5
69.03423	1.8
70.19945	1.8
70.20339	0.8
77.03937	0.7
79.05048	1.0
79.05498	19.7
81.03415	0.5
81.07053	0.9
87.05804	0.4
89.03910	0.8
91.05489	48.2
92.06265	1.8
93.07050	9.3
95.04983	6.1
95.17262	0.4
99.09212	0.5
103.05452	0.6
105.04506	1.1
105.06363	0.9
105.07040	11.0
107.04997	2.9
107.06911	0.5
107.08607	12.2
107.13164	0.5
109.06528	4.2
115.05469	11.4
116.06252	0.8
117.07018	2.7
119.06066	2.5
119.08585	1.5
120.05733	1.6
121.01548	0.9
133.10199	0.5
135.04514	2.5
135.08063	100.0
135.11588	2.4
136.02182	3.6
136.08412	1.9
141.88837	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0442
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03949	5.5
55.01873	0.7
55.05502	1.0
64.36965	0.3
65.03921	1.1
67.05491	1.4
68.34503	0.3
68.67555	0.3
69.03420	0.5
71.12111	0.9
77.03925	1.4
79.05497	41.8
81.03413	1.0
81.07056	0.9
89.03898	0.6
91.05489	13.3
91.06071	0.6
93.07050	8.3
95.04975	6.8
103.05473	0.5
105.03384	0.9
105.04521	2.6
105.07036	5.1
107.04959	10.5
107.08599	10.7
109.06507	1.0
115.05473	1.7
117.07018	1.2
119.06080	0.9
119.08588	1.9
120.09367	0.7
124.74938	0.3
133.02869	5.0
135.04424	100.0
135.08049	9.6
135.11682	3.8
136.02179	1.3
136.04773	0.8
136.07494	0.3
147.13478	0.3
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
50.01588	1.1
51.02376	5.2
51.47398	0.3
53.03698	0.6
53.03947	12.4
55.01861	0.7
56.96563	0.6
65.03940	0.9
67.05505	2.3
70.25803	0.4
70.26152	1.2
74.03387	0.3
77.03932	12.2
77.04381	0.6
79.05495	25.7
81.03423	1.6
81.07030	0.5
91.05486	4.1
93.07030	2.0
95.04969	13.2
98.21501	0.3
105.03400	16.2
105.04492	6.5
105.07024	1.5
107.04974	1.6
107.08598	4.7
115.05486	0.5
117.07024	0.3
118.06535	0.4
119.08560	0.8
128.45258	0.3
135.04417	100.0
135.07942	1.9
135.11707	1.2
136.02171	2.5
136.04793	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01588	1.1
51.02379	4.4
53.03950	12.3
55.01867	1.1
55.05516	0.4
65.03944	0.7
67.05489	1.7
70.65627	1.1
77.03932	11.9
79.05496	25.6
81.03411	1.1
91.05476	3.4
93.07033	2.6
95.04973	13.6
105.03404	15.3
105.04485	6.1
105.07030	0.9
107.04961	2.1
107.08601	3.5
112.00947	0.5
115.05444	0.6
119.08577	0.6
121.01579	0.5
131.92860	0.4
135.04420	100.0
135.07970	3.1
135.11707	1.1
136.02177	3.0
136.04794	1.0
136.06192	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.5
54.53777	3.3
55.01871	3.8
56.96569	100.0
59.56400	3.3
67.05489	8.1
70.98096	4.2
71.10832	8.0
74.97601	4.6
79.05492	24.2
81.03394	3.6
82.00000	26.0
91.00524	61.0
91.05460	13.1
93.07049	9.2
93.83552	3.4
95.04957	3.4
98.20847	3.1
98.97539	3.4
100.01037	19.5
103.00502	3.2
107.04939	13.9
107.08613	9.3
107.87589	2.9
112.01022	27.6
113.02335	10.2
119.01929	5.8
119.03583	3.5
121.01529	19.5
122.99936	8.5
129.27142	3.3
131.01898	11.0
135.04408	22.5
135.05455	6.4
135.08037	3.8
136.02151	14.2
136.06200	73.2
136.07353	6.3
137.04564	4.5
144.98091	8.6
146.23906	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	135.026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.4
55.01659	1.0
55.01877	11.3
55.05513	1.1
56.96570	69.1
57.03433	4.6
60.95846	1.5
61.02926	2.2
67.05528	1.1
68.00254	2.5
69.03423	1.9
69.81957	6.8
71.01354	2.8
71.95249	1.5
74.97607	4.3
75.01041	4.1
77.00784	2.4
79.05489	12.2
81.07046	1.2
83.00774	2.5
84.01514	1.4
85.02898	2.5
86.01333	1.1
86.51852	1.4
87.99992	5.1
89.00759	4.5
89.11030	1.0
90.01567	1.4
91.05494	6.9
93.07061	5.6
93.99979	3.9
95.04967	2.1
97.00519	19.5
97.99173	2.1
98.01295	7.5
98.50765	1.2
98.97586	23.9
99.00245	1.9
99.50778	1.2
103.00517	10.0
105.07063	2.2
106.01031	11.2
107.04988	6.4
107.08599	8.0
108.51314	3.4
110.97559	3.7
112.01032	62.7
112.03960	1.2
112.51176	2.6
114.51286	3.3
115.05473	1.1
116.98637	10.2
119.01859	1.4
119.08533	1.4
121.01551	100.0
121.51715	5.7
123.51838	14.7
128.98624	5.9
130.02014	2.5
131.01898	2.0
132.52332	14.2
134.99658	3.5
135.02666	1.6
135.04424	6.6
135.05486	2.1
135.06543	1.5
135.08109	5.4
135.11713	1.8
136.02174	11.4
136.06201	1.4
138.97046	4.4
146.99631	3.5
152.96451	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	134.045
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94048	4.7
53.03932	6.1
55.01857	12.7
55.05498	10.4
56.96567	100.0
57.03439	47.7
57.30175	4.0
58.06591	11.3
59.06922	4.0
60.95843	7.7
61.02905	5.3
64.77948	4.9
67.05472	4.5
69.03418	18.7
69.56398	35.8
70.06590	8.4
73.02908	21.2
74.02412	5.9
74.93143	5.9
77.52180	5.1
79.02244	4.9
79.05478	18.5
81.03396	7.5
81.07058	8.1
82.01407	9.4
82.07373	6.3
83.04961	7.6
84.52951	10.8
85.02889	13.5
86.52672	10.0
88.02676	9.7
89.00725	4.4
90.01523	5.0
91.05476	9.6
92.90035	39.4
93.01878	8.6
93.07056	5.8
93.53461	8.0
97.00494	5.6
97.99170	7.9
98.09691	4.7
98.21458	6.8
98.97562	12.2
100.00909	9.4
100.02480	18.6
101.00882	27.1
101.02419	4.9
102.00938	6.7
102.02399	9.8
103.08893	4.8
103.59082	20.1
106.06551	18.8
106.07308	8.0
107.08575	7.8
110.59830	7.7
110.91104	6.1
110.97556	4.6
111.02036	16.4
111.02911	18.3
112.01013	15.6
113.00789	6.3
113.53147	7.8
115.02340	4.5
116.98604	5.0
118.03505	8.3
118.40990	4.1
119.01923	54.0
119.53363	4.1
120.51250	4.5
121.01547	39.0
122.53733	9.3
123.51841	6.0
124.02422	14.3
124.11177	7.1
124.61376	16.8
125.11552	11.4
131.01933	25.7
131.53307	5.1
133.61885	20.3
134.06001	46.2
134.07094	13.0
134.09610	12.7
134.10515	6.8
136.11214	22.5
137.02931	7.1
137.11601	26.0
142.03506	60.7
143.03593	7.8
145.03464	5.8
151.93709	5.4
154.03491	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	134.045
Annotation	L-Aspartic Acid
Peak:m/z	Relative Intensity
51.67522	0.4
52.28420	0.4
56.57421	0.5
57.03431	0.9
70.02958	6.6
71.60638	0.7
74.02444	100.0
82.48328	0.4
88.03994	49.0
93.01935	0.5
97.59342	0.5
98.52659	0.5
116.03448	3.1
119.01909	0.9
120.14791	0.4
131.01959	0.6
134.04518	1.6
137.50026	0.6
142.03587	0.7
153.78882	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03941	1.7
55.05505	2.4
61.86756	0.5
65.03922	1.0
67.05509	0.8
69.76538	3.1
71.09567	0.5
77.03928	0.6
79.05493	7.8
91.05482	22.4
93.07040	6.1
95.04958	0.7
99.02678	0.5
103.05479	4.5
105.07030	55.1
106.07363	0.7
107.08597	1.8
115.05455	7.7
116.06229	1.6
117.07014	10.0
118.07795	9.6
129.07007	1.0
131.08575	7.0
133.10130	100.0
134.10471	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03946	1.2
55.05519	2.1
56.16845	0.4
65.03927	0.8
67.05508	0.6
68.55878	0.4
71.14808	0.5
71.65494	0.5
77.03902	0.6
79.05489	8.3
91.05482	24.8
91.98474	0.4
93.07049	7.5
95.04963	1.3
103.05477	5.3
103.08908	1.3
105.07030	73.3
106.07366	0.6
107.08594	1.8
115.05451	8.9
116.06220	2.2
117.07027	10.5
118.07802	10.9
124.11232	1.8
129.06985	1.2
131.07570	0.6
131.08574	14.6
133.06534	1.3
133.10129	100.0
134.10468	1.6
136.11215	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	3.1
55.05504	4.9
57.53049	1.0
69.64924	5.6
79.05494	12.1
81.07036	1.5
82.06569	1.1
82.94678	0.9
83.56062	0.8
89.07337	0.9
91.05486	36.8
93.07050	8.6
95.04961	1.6
103.05485	7.0
103.08887	1.5
105.03402	1.0
105.07034	99.3
106.07368	1.3
107.08617	2.3
110.09660	1.0
115.05449	12.4
116.06230	2.6
117.07005	13.9
118.07800	13.3
124.11243	4.0
131.08575	18.5
133.06511	6.8
133.10135	100.0
134.10475	1.9
136.11205	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27264	0.3
51.02380	0.5
53.03942	1.6
55.05510	3.2
62.93979	0.3
65.03928	0.9
67.05503	0.7
69.34357	1.8
69.34784	1.4
77.03925	0.8
79.05491	9.1
81.06999	0.5
84.08094	0.4
89.07339	0.6
90.04678	0.5
90.47321	0.3
91.05482	23.1
92.05797	0.5
92.06299	0.4
93.07047	5.9
95.04976	2.2
98.09642	0.4
103.04788	0.4
103.05467	5.5
103.08905	1.3
105.04568	0.9
105.07030	65.7
106.07373	0.6
107.08588	1.1
115.05457	7.5
116.06255	1.6
117.07024	9.4
118.04131	0.5
118.07803	10.2
124.11266	2.0
129.06995	0.9
131.08580	7.8
133.06523	6.8
133.10130	100.0
134.10460	1.8
136.11232	1.5
143.23990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47638	0.3
51.49635	0.3
52.03423	0.3
53.03944	1.8
54.23821	0.4
55.05516	3.5
55.32280	0.4
58.06607	0.7
64.10312	0.4
65.03944	0.8
67.05503	0.8
70.00211	1.9
72.25050	0.4
77.03938	0.9
79.05498	8.5
91.05486	23.5
92.06300	0.6
93.07053	5.1
95.04976	1.2
98.21428	0.4
101.09484	0.4
102.29597	0.3
103.05473	4.6
103.08918	1.0
105.07037	61.6
106.07374	0.4
107.08603	1.8
110.09634	0.3
115.05466	6.9
116.06250	1.9
116.15292	0.4
117.07029	9.5
118.07809	10.0
124.11228	1.2
129.07040	0.8
131.08575	9.1
133.06593	2.3
133.10136	100.0
134.10478	1.3
136.11226	1.6
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
53.03943	3.0
55.05496	3.0
58.06604	1.7
67.05493	1.6
68.77277	1.0
69.68977	2.9
69.69412	3.6
70.06586	1.0
77.03928	1.2
79.05490	13.1
81.07081	1.1
88.02107	0.9
91.05483	40.2
93.07036	6.1
95.04978	2.3
96.08138	1.3
98.09688	1.6
103.05468	6.9
103.08929	5.9
105.07033	100.0
106.06542	1.5
106.07368	0.9
107.08585	2.7
110.09718	2.4
115.05463	11.6
116.06239	2.7
117.07026	11.7
118.07800	13.2
124.11234	7.7
131.08578	13.7
133.06506	3.7
133.07625	2.6
133.10133	86.4
133.11777	3.8
134.06033	1.8
134.07161	0.9
136.11220	4.4
150.12769	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03937	1.7
53.78218	0.5
55.01863	1.9
55.05511	4.7
58.06598	1.0
65.03965	0.6
67.05508	1.1
69.57960	2.8
69.58366	1.2
77.03909	1.0
79.05497	11.2
81.07047	0.6
82.06592	1.0
89.07365	0.7
90.99898	0.6
91.05485	23.2
93.07062	5.8
95.04967	2.8
98.09669	0.8
103.04865	0.8
103.05483	7.2
103.08911	1.8
105.07035	100.0
106.07400	1.3
107.08590	1.3
110.09685	1.5
115.05468	5.0
116.06250	0.9
117.07047	4.6
118.04166	2.4
118.07819	3.8
122.09638	0.9
124.11206	3.6
131.04901	0.8
131.08571	8.4
133.05479	0.6
133.06497	24.3
133.10136	34.5
133.11748	1.6
133.61928	0.8
134.05948	0.8
136.11203	3.7
150.12837	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	2-Indanone
Peak:m/z	Relative Intensity
50.01586	1.8
51.02374	4.1
52.79454	0.9
53.03950	22.0
55.01880	1.4
55.05505	4.5
58.06593	2.1
65.03936	6.4
67.05502	1.7
69.41796	7.9
77.03927	8.5
78.94463	1.0
79.05496	61.1
80.05830	1.0
81.03411	1.6
81.07060	2.5
83.07288	1.1
88.52436	1.0
89.07336	1.7
91.04954	1.9
91.05487	25.8
93.07059	5.4
95.04975	23.0
96.08137	1.2
98.09701	3.1
102.04686	1.2
103.05476	32.4
103.08913	9.2
104.06295	2.0
105.03390	1.2
105.04520	10.1
105.07036	100.0
106.07355	1.1
115.05460	6.1
116.06222	1.5
117.07028	6.0
118.04184	2.4
118.07824	5.6
124.11229	10.2
131.08591	8.1
133.02823	1.5
133.06502	36.0
133.10136	57.0
133.11603	4.8
133.61885	1.4
136.11198	9.3
137.11479	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34958	0.6
51.02381	0.7
53.03958	3.4
55.01859	2.2
55.05504	3.0
56.05054	0.9
58.06596	3.4
65.03950	1.5
66.04720	0.7
67.05502	1.2
70.06594	1.4
70.10659	2.0
75.05801	0.7
77.03934	0.8
79.05495	16.3
81.07050	2.5
82.06589	1.5
83.03843	0.6
84.08128	1.5
88.92489	0.6
89.07368	1.7
90.04704	2.3
91.05489	20.5
93.07064	3.7
94.06557	0.7
95.04970	2.8
96.08131	2.3
98.09708	3.0
103.05470	11.2
103.08900	9.5
103.59148	1.1
105.07035	100.0
105.15945	0.6
106.06602	0.9
106.07362	1.8
107.05019	0.8
107.08584	1.1
108.08099	0.8
110.09682	2.1
115.05460	7.5
115.62061	0.7
117.07043	5.0
118.04156	7.9
118.07784	5.0
122.09672	1.6
124.11254	10.1
124.60416	1.1
124.61364	0.6
129.07076	0.7
131.04993	1.2
131.08594	6.0
133.06502	49.3
133.10133	56.6
133.11777	4.9
133.61977	1.2
134.06024	1.5
136.11226	9.6
137.11569	0.9
150.12834	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0649
Annotation	2-Indanone
Peak:m/z	Relative Intensity
53.03949	1.8
55.01868	3.6
66.04717	3.0
71.27266	3.1
77.03969	1.7
79.05499	17.0
90.04686	5.5
91.05497	2.7
95.04978	2.1
103.05478	14.6
105.07033	100.0
115.05451	6.3
118.04152	15.5
133.06490	98.3
133.10103	1.8
134.06827	2.2
140.07661	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03946	5.6
55.01863	0.5
56.96561	0.6
70.50165	1.0
77.03921	1.9
78.03458	0.3
79.05511	0.4
81.03432	0.8
83.00806	0.6
84.08157	0.3
90.90393	1.6
95.04962	6.3
96.04491	1.2
98.01299	1.1
98.97551	0.8
104.04996	73.9
105.03385	1.3
105.04520	2.2
105.05265	0.7
105.07033	0.7
127.15946	0.3
132.04456	100.0
132.10971	1.3
133.04807	1.4
133.06508	0.6
146.05698	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.0446
Annotation	Benzoyl cyanide
Peak:m/z	Relative Intensity
51.02384	0.8
53.03950	5.2
55.01876	0.6
56.96562	0.9
57.66797	0.3
61.02936	0.3
64.44453	0.3
70.18964	1.2
77.03939	2.8
78.03456	0.5
79.05508	0.4
81.03405	0.4
83.98033	0.3
86.09711	0.4
90.90398	0.7
95.04974	6.8
96.04499	2.1
98.01288	0.8
98.97576	0.5
104.04997	73.3
105.03431	1.6
105.04526	2.9
105.05300	0.8
105.07028	1.2
130.04037	0.4
132.04457	100.0
133.04799	1.2
133.06525	0.9
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
53.03939	1.6
65.03936	0.8
69.63019	2.1
69.63434	1.1
71.19361	0.5
85.08473	1.2
91.05482	96.4
92.05804	1.5
95.04974	1.1
103.05470	22.2
104.05777	0.6
105.07032	1.1
107.27192	0.5
115.05465	8.9
115.46886	0.5
116.06245	31.6
117.06602	0.6
127.83805	0.4
128.06238	1.5
129.07002	16.7
131.04929	1.9
131.08568	100.0
132.08946	1.0
133.06476	1.1
143.06097	0.8
145.97926	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	3.8
56.96556	0.7
57.02522	0.7
64.00111	0.8
66.14291	0.7
70.03789	0.9
70.38877	1.6
70.39276	1.2
70.92714	0.7
73.21454	0.7
78.98186	0.7
81.80884	0.8
84.08150	0.9
85.02928	0.7
85.08489	4.3
91.05486	100.0
92.05849	1.8
92.24159	0.7
95.04986	2.0
98.97603	0.8
102.04709	0.9
103.05473	56.5
103.54012	0.8
104.05798	1.1
105.04536	1.3
113.07945	3.3
115.05473	6.8
116.06250	26.5
125.81468	0.7
128.06227	0.9
129.07007	18.1
131.04929	5.9
131.06923	2.8
131.08571	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31500	0.9
52.79263	0.9
53.03952	5.3
56.96570	4.8
57.03429	2.3
59.76014	1.0
64.83089	0.9
65.03952	1.1
69.03434	2.4
69.39265	0.9
69.89846	1.0
69.93007	0.8
70.03757	1.9
71.11474	2.3
71.11825	1.2
76.83269	0.9
77.00784	1.0
84.08130	2.8
85.02894	2.6
85.04836	1.6
85.08482	9.0
89.00762	2.0
91.05482	100.0
92.05860	1.6
95.04975	3.9
98.01272	2.2
98.97577	4.4
103.05471	85.4
104.05830	1.5
109.03054	0.9
113.02384	1.1
113.07952	5.2
115.05458	9.9
116.06236	31.0
116.98574	1.3
119.01796	1.0
128.06241	2.2
129.07018	16.6
131.03438	1.8
131.04906	10.0
131.06952	2.2
131.08565	90.6
132.08945	2.1
143.06068	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
65.03927	0.9
71.04684	0.8
71.04996	0.8
76.64336	0.6
82.07288	0.6
91.05482	100.0
92.05815	1.7
95.04974	2.2
102.04688	1.0
103.05468	45.6
104.05828	0.9
105.07029	1.1
113.07955	0.6
115.05451	9.5
116.06239	30.8
128.06213	1.5
129.07007	17.9
131.04942	5.2
131.08568	98.5
132.08925	1.3
133.06468	1.9
143.06100	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	0.5
52.48955	0.1
53.03949	3.3
56.96565	0.3
70.77358	0.3
70.77690	0.2
77.03932	1.5
81.03404	0.3
85.08476	0.2
91.05511	0.4
95.04972	4.1
102.04680	0.9
103.05471	100.0
104.05792	1.6
105.04504	1.6
113.07975	0.2
121.90048	0.2
131.04932	9.5
131.06900	0.6
131.08521	0.3
132.05258	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01634	0.2
51.02391	0.5
52.03450	0.2
52.31475	0.2
53.03948	3.7
56.96578	0.4
57.03446	0.4
66.39880	0.2
68.34508	0.2
69.59724	1.3
70.03758	0.2
72.33782	0.2
76.33118	0.2
77.03928	0.9
81.03424	0.4
83.00797	0.2
84.08142	0.4
85.02885	0.3
85.08466	1.1
90.50169	0.2
91.05485	14.1
95.04974	4.1
98.01309	0.2
98.21481	0.2
98.97644	0.3
102.04678	1.1
103.05473	100.0
104.05135	0.3
104.05785	1.5
105.04501	1.7
113.07924	0.9
114.31679	0.2
115.05497	1.3
116.06245	4.2
128.06223	0.3
129.07002	2.2
131.04935	10.6
131.06914	0.8
131.08562	12.9
132.08102	0.4
132.09039	0.2
144.10698	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02377	0.7
53.03950	4.6
55.01871	0.3
56.96566	0.8
69.03415	0.4
77.03934	1.2
81.03410	0.5
84.08156	0.5
84.58395	0.3
85.02895	0.3
85.08483	2.8
89.00771	0.6
91.05486	12.8
95.04972	5.0
97.20395	0.2
98.01283	0.5
98.21494	0.6
98.97626	0.5
102.04691	1.3
103.05473	100.0
104.05805	1.4
105.04534	2.1
105.07012	0.3
107.01818	0.3
108.46037	0.3
113.07247	0.2
113.07950	1.2
114.64596	0.2
115.05459	1.4
116.06250	3.7
116.98678	0.4
128.06229	0.4
129.07018	1.8
131.04939	13.1
131.08568	10.3
144.08086	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.5
56.05013	1.2
57.07077	63.4
61.91203	1.4
69.03068	1.8
69.03432	29.9
69.07054	3.9
70.06619	1.2
71.04974	1.4
71.52658	2.1
74.09721	41.7
76.99870	1.1
78.00982	1.1
82.06585	2.8
82.91743	1.4
84.04510	13.2
84.08145	100.0
93.95348	1.1
103.05479	15.6
112.07607	75.3
130.02205	2.8
130.05035	2.1
130.06537	58.2
130.08636	24.6
130.15921	78.1
131.04932	3.0
131.06900	1.5
131.08522	1.3
145.68982	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.6
51.83905	0.2
53.03951	5.8
55.01878	0.3
56.96574	1.0
57.03410	0.4
62.33413	0.2
68.95283	0.2
69.03442	0.4
69.33314	2.0
77.03916	1.0
81.03418	0.6
84.08156	0.6
85.02940	0.3
85.08483	1.8
89.00773	0.4
91.05484	4.0
95.04970	5.7
98.01295	0.8
98.97588	0.7
102.01526	0.3
102.04683	1.6
103.05470	100.0
104.05812	1.4
105.04516	2.7
107.01810	0.5
108.51319	0.2
109.33018	0.2
113.07950	0.8
115.05450	0.5
116.06252	0.9
116.98593	0.3
129.06985	0.7
131.04932	13.8
131.08543	3.4
144.08107	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.00298	1.3
57.07067	1.6
67.05497	1.8
70.72252	0.7
71.04993	100.0
71.37785	1.2
71.38107	1.1
74.46362	0.8
77.82703	0.7
78.90329	0.7
82.76226	0.8
85.06540	3.6
94.31209	0.7
111.01266	0.8
122.68555	0.8
127.03896	3.4
127.10274	1.2
127.11195	20.1
133.42323	0.8
144.52916	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.1276
Annotation	6-Methyl-5-hepten-2-ol
Peak:m/z	Relative Intensity
51.58331	0.7
53.03951	1.0
54.00811	0.7
54.58111	0.9
55.05514	21.1
57.07087	1.2
57.70657	0.7
67.05515	1.3
69.07071	100.0
69.24055	7.2
69.24471	1.4
70.07358	0.8
73.63795	1.1
83.08627	2.2
84.08167	2.1
129.01872	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0653
Annotation	Quinoline
Peak:m/z	Relative Intensity
52.96154	0.2
53.03942	0.4
53.79494	0.2
56.05032	0.7
56.96569	0.9
57.03452	0.2
57.07070	0.8
60.11441	0.2
67.05489	0.4
69.03429	9.4
69.07076	1.3
71.04985	0.3
71.61047	0.2
73.02908	0.3
74.09713	0.7
77.03922	0.2
82.06575	1.2
84.04102	0.1
84.04502	5.1
84.08142	33.2
85.02883	0.3
94.06571	0.3
95.04966	0.6
98.01286	0.3
98.97588	0.6
102.04675	0.2
103.05466	9.4
105.04501	0.3
112.07604	21.0
116.91641	0.2
116.98624	0.2
128.04951	0.8
129.06544	0.2
130.06528	100.0
130.08572	7.9
130.15906	0.9
131.04942	0.9
131.05922	0.2
131.06859	1.1
133.74214	0.2
146.05997	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	1.5
53.03955	1.0
55.05500	0.6
57.07072	1.1
64.35262	0.5
67.05501	2.2
67.40681	0.5
70.77372	1.1
70.77751	1.2
71.04994	100.0
81.03426	1.3
81.07039	0.8
85.06553	1.9
89.96783	0.6
96.88686	0.5
109.02895	1.5
127.03912	11.3
127.11201	21.1
145.20129	0.5
146.26822	0.5
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
51.02376	0.2
53.03952	2.4
53.64415	0.2
55.01877	1.1
65.64676	0.2
67.01865	0.4
69.55504	0.2
69.90971	1.0
71.01379	0.3
71.04981	0.4
81.03427	2.1
93.31361	0.2
98.20718	0.3
109.02887	6.7
127.03923	100.0
128.04260	1.0
133.60458	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
50.72620	0.3
53.03941	2.8
54.95202	0.3
55.01862	1.1
56.42904	0.4
60.49040	0.3
69.72668	1.8
71.04997	0.4
76.69875	0.3
78.91011	0.3
81.03412	2.0
109.02878	4.8
127.03912	100.0
127.13158	0.7
128.04268	1.1
136.60011	0.4
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	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03951	2.3
55.01875	1.0
67.01877	0.5
71.10024	0.6
71.36521	0.2
81.03424	1.4
103.11685	0.2
109.02885	4.6
127.03920	100.0
128.04257	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1279
Annotation	Tropane
Peak:m/z	Relative Intensity
53.03950	1.2
55.05513	4.8
56.05040	5.0
57.71111	0.9
58.06587	1.0
67.05511	11.7
70.06592	7.0
70.38573	1.0
71.04990	1.4
81.03400	2.3
81.07067	2.1
82.06570	1.1
83.07349	1.4
84.08147	44.1
96.08161	1.4
97.08912	7.3
98.09703	12.9
109.02894	2.6
109.10161	2.1
117.27709	0.7
121.01690	1.4
124.11185	1.2
126.05511	1.1
126.12795	100.0
127.03920	23.4
127.13116	1.0
128.19460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1279
Annotation	Tropane
Peak:m/z	Relative Intensity
53.03942	1.3
55.01871	1.0
55.05517	4.9
56.05038	5.9
58.06287	0.5
58.06594	1.0
66.16625	0.5
67.05171	0.6
67.05507	8.8
68.05029	0.5
70.06598	7.2
70.85046	1.4
71.04990	0.9
72.08147	0.7
74.64172	0.5
80.05017	0.6
81.03401	2.3
81.07059	2.8
82.06593	0.9
84.08146	47.9
85.08514	0.6
96.08128	2.1
97.08920	6.9
98.09080	1.1
98.09694	15.9
99.04462	0.5
108.04476	0.9
109.02876	2.0
109.10162	2.1
124.11221	1.0
126.05514	0.9
126.12796	100.0
127.03919	15.8
127.13159	1.4
142.49330	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1279
Annotation	Tropane
Peak:m/z	Relative Intensity
53.03937	1.7
55.01877	0.6
55.05260	0.6
55.05513	8.7
56.05038	7.0
58.06599	1.0
59.05904	0.5
67.05507	10.8
69.03434	1.2
69.07070	0.6
70.06593	7.4
71.04962	0.6
71.24260	0.7
72.08143	0.6
73.90193	0.4
79.05488	2.5
80.04987	0.5
81.03416	2.3
81.07056	8.9
82.06580	1.2
83.07361	1.3
83.08609	2.0
84.04482	0.6
84.08144	47.0
88.25961	0.4
91.05515	0.4
91.06365	0.5
93.05777	0.9
96.04458	0.5
96.08134	1.9
97.05270	4.0
97.08906	6.6
98.06042	1.8
98.09692	13.5
99.04443	0.5
108.08108	4.5
109.02873	2.8
109.06525	5.8
109.10165	2.3
118.05921	0.5
121.01685	1.0
124.11241	1.2
126.05527	0.9
126.09162	19.7
126.12794	100.0
127.03920	17.9
127.04623	0.4
127.13105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	126.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12267	0.5
53.03954	2.5
53.67393	0.5
54.29419	0.5
55.01878	0.6
55.05511	8.0
56.05041	6.0
58.06585	1.0
67.05507	10.5
69.03417	0.6
69.07082	0.5
69.61880	2.1
69.62313	1.7
70.06596	8.2
71.04979	0.8
78.94782	0.5
79.05495	2.2
80.05029	0.7
81.03403	2.6
81.07058	7.8
82.06584	1.5
83.07353	1.2
83.08627	1.7
84.08145	48.8
85.08469	0.7
93.05740	0.6
96.04511	0.6
96.08135	1.5
97.05279	3.3
97.08337	0.7
97.08916	7.3
98.06070	2.6
98.09698	15.9
98.20741	0.9
108.04498	1.1
108.08136	2.7
109.02862	3.5
109.06519	4.6
109.10158	1.7
124.11201	0.8
126.05571	1.2
126.09167	18.0
126.12795	100.0
127.03924	26.6
127.13161	1.3
134.80421	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.2
55.01871	0.2
55.05509	0.6
55.49422	0.2
69.03432	100.0
69.07085	0.2
70.03783	0.5
70.72639	0.4
70.72974	0.2
77.41250	0.2
79.05501	0.6
79.73051	0.2
80.34303	0.2
81.07088	0.4
83.04982	0.5
83.06903	0.2
91.05508	0.2
97.02874	1.1
107.08620	0.3
125.09640	9.2
125.11538	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	125.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01866	0.5
55.05519	0.8
59.13175	0.3
69.03433	100.0
70.03766	0.8
71.50697	0.6
79.01853	0.7
79.05498	1.3
81.07067	0.7
82.97075	0.3
83.05015	0.7
97.02908	2.3
97.06528	0.8
97.08472	0.7
102.02248	0.7
107.08601	0.7
120.02032	0.4
125.02364	0.5
125.06036	0.6
125.09634	9.8
125.11571	6.7
126.12794	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81528	0.1
54.03466	0.4
55.05512	3.8
56.05046	0.2
58.06594	0.4
65.03942	0.6
67.05507	4.3
68.05031	1.6
69.07063	0.1
70.03321	0.4
70.06578	0.3
78.77235	0.1
79.05492	1.8
80.05013	0.4
81.05825	0.5
81.07069	0.9
82.06583	12.3
83.07362	1.3
91.05473	0.8
93.07059	0.2
94.06586	0.8
95.04970	0.1
95.07358	0.9
95.08607	1.0
96.08134	15.4
105.07010	0.5
107.08601	0.2
108.08128	0.2
109.08907	1.0
113.29627	0.1
116.41321	0.1
122.09689	0.9
124.11234	100.0
125.11574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03466	0.4
55.05291	0.3
55.05512	3.7
56.92923	0.2
65.98965	0.3
67.05210	0.3
67.05506	3.8
68.05019	2.1
69.01850	0.3
69.93235	0.5
69.93645	1.2
70.06599	0.3
75.77081	0.3
79.05499	1.7
80.05013	0.4
81.05781	0.7
81.07068	0.6
82.06583	12.9
83.07351	1.5
91.05466	0.7
93.07043	0.3
94.06565	0.5
94.68151	0.3
95.07365	0.7
95.08610	1.1
96.08131	14.2
96.39938	0.3
101.00853	0.6
105.07027	0.3
108.08138	0.3
109.08900	1.3
116.24590	0.3
119.01163	0.3
119.01903	1.9
122.09686	0.9
124.11233	100.0
125.11583	0.8
127.72437	0.3
137.02985	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0246
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87678	0.3
57.85699	0.2
58.29971	0.3
70.12395	0.6
70.12789	0.5
82.01429	0.4
82.99841	3.9
83.01521	1.1
90.21172	0.3
98.92655	0.3
100.02484	1.1
101.00885	40.4
101.02553	1.6
102.00958	0.6
102.02245	0.5
111.00436	0.4
119.01923	100.0
120.01999	1.8
121.02361	0.6
124.02495	0.6
124.11228	0.3
133.03456	0.4
137.02960	18.6
138.03020	0.3
142.03499	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82619	0.6
53.03947	5.4
55.01869	1.0
55.05512	13.1
57.07067	5.5
57.72736	0.8
65.03946	1.8
67.05506	49.5
69.03433	1.7
69.07068	3.4
71.56533	1.4
79.05499	24.4
80.05013	3.0
80.06286	1.9
81.03413	1.0
81.07058	100.0
82.01453	1.0
82.06596	1.0
91.05494	3.6
93.07058	9.8
94.07793	0.8
95.04972	8.2
95.08607	54.4
96.04519	0.8
96.08129	0.8
99.17690	0.9
100.02498	2.3
103.05476	1.7
105.04498	1.0
105.06345	1.4
105.07028	12.6
107.04958	6.0
108.05738	34.9
121.06522	5.6
121.10136	0.8
122.67112	0.7
123.05569	5.7
123.08072	90.9
123.11707	25.2
124.03935	1.2
124.08388	1.7
124.11244	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	4.2
53.31603	0.8
55.05508	5.0
57.07084	5.8
65.03921	2.1
67.05163	1.5
67.05503	21.0
69.07059	2.6
69.36292	6.2
69.36719	2.3
78.03455	1.8
79.05493	17.2
80.05020	25.4
81.07059	100.0
82.01447	12.3
82.06592	2.1
82.07346	1.1
86.54440	0.8
91.05469	1.4
93.07034	3.1
94.07806	1.2
95.04971	14.4
95.08617	16.4
96.04514	7.8
96.08132	2.5
97.02880	0.9
100.02484	51.9
105.04506	1.0
106.07362	1.4
108.05719	3.3
108.07664	3.1
118.03521	23.9
119.01945	5.2
121.10107	1.3
123.04430	4.2
123.05553	50.5
123.08061	9.5
123.09997	4.4
123.11708	22.9
124.03936	6.7
124.05959	1.0
124.11230	18.7
137.02919	2.0
141.05087	1.8
142.03508	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.1
55.05515	6.5
57.07078	5.0
59.17700	0.8
65.03952	1.4
67.05154	1.5
67.05506	19.1
69.07063	2.8
69.41273	1.4
69.41682	5.9
77.03923	1.1
78.03455	1.5
79.05501	17.5
80.05026	21.9
81.07060	100.0
82.01452	13.7
82.06579	3.6
82.07368	1.3
88.47493	0.8
93.07027	3.0
95.01366	0.9
95.04977	14.5
95.08615	19.4
96.04500	8.5
96.08129	2.8
100.02489	47.3
101.00873	1.3
101.02608	1.0
101.72124	0.9
105.07034	2.1
106.07396	1.8
108.05746	2.2
108.07684	3.0
108.09431	1.1
118.03531	21.0
119.01934	6.0
121.10138	1.4
122.54485	0.8
123.04422	3.9
123.05559	41.7
123.08089	8.9
123.09168	1.2
123.10036	3.7
123.11714	21.5
123.99734	0.8
124.03958	6.9
124.11235	17.7
137.02936	2.2
141.05118	0.9
142.03453	1.0
143.91702	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
51.02378	0.8
53.03947	7.3
55.01875	1.2
55.05513	16.1
57.07081	5.8
65.03934	3.7
67.05508	56.0
68.05019	1.0
69.03436	1.1
69.07066	2.6
71.45015	1.2
77.03898	1.4
79.05497	22.9
80.05020	16.6
80.05788	2.1
80.06259	1.2
80.40997	0.9
81.03419	2.2
81.07059	100.0
82.01457	6.6
82.06580	2.9
82.96355	0.8
91.05486	1.9
93.07045	10.5
94.07800	1.2
95.04973	26.5
95.08611	55.4
95.17832	0.9
96.04506	5.8
96.08123	2.5
96.08951	0.8
100.02488	21.8
103.05486	1.7
105.04525	1.5
105.07030	8.1
106.07380	6.0
107.04963	3.6
107.07368	1.2
108.05743	16.9
108.07667	10.2
112.04020	1.0
118.03545	9.5
119.01920	2.7
121.06512	2.3
121.10165	2.6
123.04459	6.2
123.05560	35.0
123.06473	1.8
123.08075	43.5
123.10014	11.9
123.11703	20.8
124.03914	5.6
124.07552	1.0
124.08398	1.2
124.11244	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	123.0806
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03936	6.2
53.87930	0.8
54.78544	0.9
55.05513	10.9
57.07072	5.2
62.80801	0.8
65.03941	2.1
67.05507	50.6
69.03451	1.8
69.07053	2.7
71.30732	2.2
77.03893	1.9
79.05494	21.9
80.05007	2.9
80.06276	2.6
81.03448	1.6
81.07059	96.2
82.06592	1.0
89.28762	0.8
91.05467	3.8
93.07053	12.9
95.04975	9.4
95.08606	50.6
96.08146	2.1
96.08932	1.0
100.02498	2.1
103.05444	1.6
105.04543	1.3
105.07036	12.4
107.04962	7.6
108.05740	33.9
108.09373	1.2
121.06518	5.0
121.10130	1.7
123.04545	1.3
123.05562	6.3
123.08073	100.0
123.11700	22.9
124.08382	1.0
124.11230	13.4
124.12092	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	4-Ethylphenol
Peak:m/z	Relative Intensity
53.03955	4.1
55.01872	1.6
55.05513	20.0
57.07071	0.7
65.03938	3.1
67.05508	85.5
68.05036	0.8
69.03438	0.5
69.07081	0.7
69.65362	2.1
77.03943	0.9
79.05497	10.8
80.05021	6.3
80.06284	1.7
81.03416	8.0
81.07063	22.2
82.01454	3.4
82.06563	2.9
83.05011	1.0
91.05482	7.0
93.07049	16.1
94.39725	0.5
95.04975	51.0
95.08611	60.2
96.04497	1.8
96.08129	4.0
98.21483	0.6
100.02489	12.6
103.05457	0.7
105.04531	1.3
105.07037	3.8
107.04977	1.8
108.05750	6.2
108.07645	0.9
108.09320	0.5
118.03540	4.3
119.01935	1.4
121.06480	0.7
123.04455	1.7
123.05582	12.5
123.08076	100.0
123.11670	3.4
124.03988	2.4
124.08409	1.6
124.11237	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0807
Annotation	2,4-Dimethylphenol
Peak:m/z	Relative Intensity
50.70894	0.9
53.03953	6.6
55.01873	2.5
55.05512	26.0
57.07077	3.0
61.30476	1.0
65.03927	4.4
66.04721	0.9
67.05507	95.8
69.03429	2.5
69.07081	1.1
69.63004	6.9
73.79403	1.0
77.82582	1.1
79.05494	13.9
80.05019	3.7
80.06268	3.2
81.03410	1.5
81.07060	52.1
82.01431	1.2
82.06592	2.2
87.04516	1.1
87.48699	1.3
88.88885	1.0
91.05467	4.3
93.07050	17.5
95.04980	13.1
95.08607	100.0
96.04513	2.5
96.08139	2.2
100.02465	3.2
103.05484	1.7
105.04533	2.1
105.07025	10.3
106.07326	1.5
107.04952	5.0
108.05741	22.8
108.07668	1.3
118.03515	1.9
121.06480	4.1
123.04494	1.6
123.05560	9.5
123.08073	61.3
123.09977	2.0
123.11708	12.4
124.03963	1.6
124.07597	1.1
124.11230	10.6
125.22094	1.1
140.72568	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05249	0.7
58.99860	1.1
67.74097	0.7
70.04037	4.2
82.01450	45.8
100.02488	100.0
101.00874	6.1
101.02561	1.5
101.26109	0.8
118.03526	30.1
119.01125	1.4
119.01923	20.5
128.13187	0.7
133.53868	0.9
137.02956	4.3
142.03481	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17625	0.7
54.20841	0.8
58.90049	0.7
58.99875	0.9
70.79026	1.7
73.26439	0.6
82.01450	42.9
82.99873	1.0
83.01513	1.0
92.53247	0.8
95.51405	0.7
100.02489	100.0
101.00885	8.0
101.02577	0.9
118.03528	29.5
119.01929	18.2
119.02789	0.8
119.03651	0.9
136.50800	0.7
137.02979	3.7
142.03537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17625	0.7
54.20841	0.8
58.90049	0.7
58.99875	0.9
70.79026	1.7
73.26439	0.6
82.01450	42.9
82.99873	1.0
83.01513	1.0
92.53247	0.8
95.51405	0.7
100.02489	100.0
101.00885	8.0
101.02577	0.9
118.03528	29.5
119.01929	18.2
119.02789	0.8
119.03651	0.9
136.50800	0.7
137.02979	3.7
142.03537	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03951	16.6
53.69679	1.5
55.01871	4.2
55.05500	2.9
56.96568	3.5
65.03948	18.8
67.05501	2.8
69.67396	1.5
70.84553	1.8
70.84896	3.8
77.03937	2.3
79.05500	53.4
80.91925	1.6
88.64133	1.5
91.05483	36.0
93.06460	2.9
93.07047	46.6
95.04974	15.9
98.97577	2.9
102.14120	1.6
103.05470	26.1
105.04548	8.8
105.07038	100.0
106.07832	5.5
107.07341	13.7
110.50373	1.4
111.04464	3.1
111.39263	1.4
119.08581	16.7
121.02876	18.1
121.03985	8.0
121.04728	1.5
121.06534	27.8
121.08427	3.5
121.10151	53.4
121.11022	3.2
122.09673	12.1
123.08103	9.7
133.07623	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	121.1014
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
50.80666	0.9
53.03944	8.3
55.05510	1.3
65.03943	2.5
71.40729	1.7
77.03927	2.1
78.95987	0.8
79.05491	42.2
79.05957	2.1
91.04947	0.9
91.05473	16.2
93.07047	18.0
95.04964	8.3
99.47031	0.9
103.05466	19.7
105.04509	3.9
105.07030	100.0
106.07860	5.6
107.04926	6.0
107.07333	1.9
107.99631	0.9
119.08578	13.9
120.05682	1.4
121.02873	2.4
121.03966	0.9
121.06511	11.3
121.10144	53.2
122.07312	1.3
122.09653	1.5
122.10460	1.1
123.08082	8.7
133.07635	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02372	2.1
53.03944	19.0
55.01871	2.7
55.05501	3.2
61.45328	0.8
65.03940	9.1
67.05493	1.4
70.65982	1.3
71.01349	0.9
77.03922	5.9
78.04697	0.9
79.05492	44.9
81.03415	2.5
81.07047	1.8
91.05480	54.8
93.07044	58.0
94.07362	0.8
95.04971	24.9
103.05469	54.5
104.05804	0.8
105.04530	10.9
105.07030	100.0
106.07835	7.4
107.07323	6.1
111.04443	2.1
119.08573	14.0
120.05702	1.0
121.02879	9.2
121.04007	3.5
121.06506	62.0
121.10143	43.9
122.06850	1.0
122.09668	8.1
123.08082	9.0
133.07602	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	121.1015
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
51.02376	4.0
52.46867	1.3
53.03947	24.6
54.95147	1.5
55.01875	7.9
55.05508	6.2
56.96569	2.8
61.55647	1.6
65.03944	19.1
67.05510	17.8
71.61185	1.9
71.61569	1.9
77.03904	4.5
79.05499	82.6
81.03438	2.2
81.07059	3.4
83.71887	1.5
91.05486	62.2
93.07051	93.5
94.06605	1.5
95.04974	22.8
100.17699	1.7
103.05474	33.0
105.04531	12.0
105.07035	100.0
106.06550	2.7
106.07822	4.7
107.07340	34.9
111.04462	4.4
119.08588	12.6
120.13072	1.3
121.02868	16.4
121.03921	7.0
121.06520	51.1
121.10145	58.5
122.09674	41.8
123.08072	7.2
133.07631	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	16.6
53.69679	1.5
55.01871	4.2
55.05500	2.9
56.96568	3.5
65.03948	18.8
67.05501	2.8
69.67396	1.5
70.84553	1.8
70.84896	3.8
77.03937	2.3
79.05500	53.4
80.91925	1.6
88.64133	1.5
91.05483	36.0
93.06460	2.9
93.07047	46.6
95.04974	15.9
98.97577	2.9
102.14120	1.6
103.05470	26.1
105.04548	8.8
105.07038	100.0
106.07832	5.5
107.07341	13.7
110.50373	1.4
111.04464	3.1
111.39263	1.4
119.08581	16.7
121.02876	18.1
121.03985	8.0
121.04728	1.5
121.06534	27.8
121.08427	3.5
121.10151	53.4
121.11022	3.2
122.09673	12.1
123.08103	9.7
133.07623	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	121.1014
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
50.13797	1.4
51.02357	2.3
53.03728	2.0
53.03951	24.5
55.01874	10.0
55.05504	4.0
62.83583	1.2
65.03938	6.2
65.52132	1.5
67.05485	2.2
69.63245	9.7
77.03931	5.5
79.05048	2.9
79.05496	53.2
81.03419	2.1
81.07056	1.7
91.05483	50.9
93.07048	70.3
95.04967	19.2
98.21458	3.1
103.05473	31.7
105.04520	9.8
105.07034	100.0
106.07820	6.8
107.07336	16.8
119.08562	11.8
121.02877	5.4
121.06514	52.3
121.08403	2.2
121.10143	50.7
122.09677	19.9
122.10471	2.1
123.08055	11.7
133.07648	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	119.107
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53683	0.9
53.03935	4.0
57.07076	38.1
63.04496	1.7
65.03949	7.2
71.61168	1.4
72.11263	0.9
76.05446	1.0
77.03956	1.0
78.04774	1.2
79.05505	5.7
91.05483	100.0
92.05841	1.1
93.07057	3.9
95.04971	1.8
103.05466	8.6
104.06259	9.7
115.05437	4.3
117.07024	20.4
119.04971	5.3
119.06094	1.9
119.06859	2.8
119.08581	64.9
120.08099	4.7
120.53357	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
51.02361	0.8
53.03949	3.4
55.01883	0.8
62.25976	0.7
64.49970	0.8
65.03940	6.2
74.14835	0.8
79.05500	7.9
91.05483	100.0
92.05807	0.9
93.07063	4.8
95.04978	3.2
96.05308	1.1
100.76498	0.6
102.04682	0.9
102.49388	0.8
103.05479	10.9
104.06261	11.0
105.04528	1.7
109.06500	1.6
110.06065	0.9
115.05467	5.6
117.07021	23.0
117.07842	1.6
119.04957	3.1
119.06077	2.3
119.06860	2.4
119.08585	87.4
120.08106	1.2
120.08907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.1
54.23775	0.6
55.53351	0.6
56.21325	0.6
57.07094	1.6
65.03950	6.5
77.03937	0.6
78.04712	1.5
79.05495	7.9
91.05485	100.0
92.05817	1.4
93.07038	4.9
95.04983	2.7
96.05282	1.3
98.20594	1.4
103.05476	11.3
104.06259	9.8
105.04524	1.4
106.04969	0.6
109.06535	1.3
115.05444	4.5
117.07028	22.1
119.04957	3.6
119.06101	1.6
119.06838	3.7
119.08583	72.1
120.08102	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04773	0.4
50.22083	0.4
53.03949	2.0
54.04282	0.6
57.41504	0.4
61.24341	0.4
62.62890	0.4
65.03943	12.1
71.12473	1.0
77.94694	0.4
78.04696	0.8
79.05499	4.2
91.05482	100.0
92.04984	0.8
92.05827	0.7
93.07071	2.2
95.04971	2.0
96.05305	0.9
103.05460	6.8
104.06261	5.7
105.04568	0.6
109.06522	1.1
115.05455	3.2
117.06197	0.9
117.07024	15.2
119.04951	17.4
119.06054	1.8
119.06852	1.5
119.08585	36.4
120.05473	0.5
120.08124	0.9
121.06553	0.6
131.06027	0.5
132.73914	0.4
138.16592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.45323	0.3
51.02367	0.4
53.03942	2.0
54.04275	0.5
59.06709	0.3
65.03943	5.0
71.61893	0.4
78.04116	0.3
78.04711	1.2
79.05492	3.7
91.05481	100.0
92.04976	0.4
92.05806	0.9
93.07038	2.9
95.04980	1.9
96.05299	0.9
102.04675	0.4
103.05464	6.0
104.06251	6.3
105.04516	0.6
109.06546	0.5
115.05459	2.8
117.07021	12.9
119.04939	6.3
119.06054	1.1
119.06841	1.2
119.08581	37.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
65.03931	3.1
70.14705	4.2
70.15060	1.5
78.04701	1.6
79.05506	6.6
80.34837	1.1
91.05486	100.0
92.05769	1.8
93.07053	6.1
95.04990	2.2
98.21410	1.5
103.05475	15.3
104.06254	13.2
105.04528	2.2
115.05467	4.7
117.07037	38.1
119.04930	2.4
119.08587	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03958	2.9
54.07847	0.5
61.53653	0.5
65.03938	3.2
69.63270	0.9
69.63689	2.2
77.03928	1.1
78.04701	1.2
79.05489	6.5
91.05486	100.0
92.05813	0.7
93.07045	7.5
95.04973	2.8
102.04689	0.8
103.05472	14.7
104.06261	10.2
104.06938	0.7
105.04521	1.1
109.06523	1.6
115.05476	6.3
117.07026	46.3
119.08586	96.0
120.08914	0.7
121.06539	0.8
131.06013	1.6
133.88158	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.5
53.03942	1.2
65.03941	15.5
67.68266	0.3
78.46384	0.3
79.05495	2.5
84.19661	0.3
91.05479	100.0
92.04990	0.5
92.05817	1.2
93.07043	1.6
93.19923	0.3
95.04973	1.7
96.05309	0.7
99.93353	0.4
103.05474	3.6
104.06245	3.1
105.04492	0.6
109.06504	0.8
111.76369	0.4
115.05447	1.3
117.07018	8.5
119.04944	21.0
119.06041	1.9
119.06827	1.1
119.08578	26.9
120.08153	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
52.04069	1.0
53.03941	3.2
54.91527	1.0
57.21687	1.0
59.14215	1.0
65.03947	5.2
66.82240	1.0
69.56784	6.3
77.03917	1.2
78.04708	1.5
79.05505	9.3
91.05482	87.8
93.07034	3.6
95.04965	3.6
103.05460	11.9
104.06249	13.8
105.04508	1.5
115.05449	4.8
117.07015	19.0
119.04934	1.2
119.08582	100.0
120.08931	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.11136	0.5
53.03941	1.3
55.56008	0.5
65.03944	18.2
70.89271	1.0
70.89626	0.7
75.40292	0.5
77.03928	0.5
79.05492	1.7
91.05483	100.0
92.05836	0.9
93.07057	1.0
95.04967	0.9
103.05465	2.3
104.06271	2.6
115.05492	0.8
117.07019	4.9
119.04951	26.0
119.05993	1.5
119.08587	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	119.0495
Annotation	Benzofuran
Peak:m/z	Relative Intensity
51.02376	0.3
52.12185	0.3
53.03949	0.7
57.66245	0.3
65.03944	20.5
68.24326	0.3
69.23512	2.4
69.23921	1.3
79.05486	0.6
89.27174	0.3
91.05482	100.0
92.05805	1.3
95.04970	1.0
103.05479	1.0
104.06248	1.8
105.04549	0.4
115.05385	0.5
117.07025	2.5
119.04948	33.3
119.08580	8.9
121.03986	0.4
133.56680	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
53.03940	1.5
65.03944	16.2
66.44299	0.5
67.05495	0.4
71.61932	0.5
73.14667	0.4
79.05492	2.1
85.31691	0.3
91.05484	100.0
92.05003	0.4
92.05810	1.1
93.07053	1.4
95.04987	1.3
96.05363	0.4
96.87572	0.3
103.05489	2.6
104.06261	3.3
105.04530	0.8
109.06520	1.2
110.06071	0.4
115.05455	0.7
117.07028	5.0
119.04951	25.3
119.06060	2.2
119.06850	1.0
119.08585	19.9
120.08068	0.7
133.96127	0.4
135.04213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61565	2.8
55.48129	3.2
67.05495	8.6
69.03411	8.3
70.80335	7.4
76.46867	3.1
80.02962	5.4
82.01448	9.0
82.99863	4.6
85.01396	4.1
91.05482	8.6
100.02476	11.6
101.00880	32.0
103.02402	6.8
107.05267	7.5
116.05813	6.1
117.16414	3.4
118.03527	4.3
119.01923	100.0
121.03510	5.4
129.04010	5.3
137.02948	21.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0494
Annotation	Benzofuran
Peak:m/z	Relative Intensity
50.32598	0.5
53.03958	0.9
61.31564	0.5
65.03944	15.6
69.64498	3.1
72.69585	0.6
79.05493	2.0
85.54140	0.5
91.05486	100.0
92.05030	1.1
92.05798	0.9
93.07018	1.0
95.05020	0.6
96.46571	0.5
103.05466	1.9
104.06256	1.6
115.05473	1.2
117.07032	4.3
119.04954	24.4
119.06032	1.5
119.08584	22.8
120.08116	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Indole
Peak:m/z	Relative Intensity
51.02372	5.7
53.03703	3.3
53.03949	67.4
55.01868	2.9
65.03945	6.5
70.65898	5.3
72.08145	10.3
76.93364	14.9
77.03928	13.0
79.05486	4.0
81.03435	6.1
91.05483	63.5
94.94388	3.5
95.04972	73.4
98.21386	2.9
102.03996	2.5
104.06253	4.7
105.04514	32.3
116.05759	2.8
117.07012	8.7
118.04251	3.0
118.06547	100.0
119.04948	9.1
119.08606	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	118.0655
Annotation	Indole
Peak:m/z	Relative Intensity
51.02385	8.5
53.03949	69.8
54.01274	2.6
55.01858	4.3
55.05535	3.8
55.52338	2.6
58.06580	2.7
65.03940	3.3
69.25936	28.5
72.08157	16.0
76.93368	13.3
77.03936	12.3
81.03430	8.1
89.03906	4.0
91.05485	68.6
92.05865	2.9
94.94400	4.9
95.04971	64.3
95.71130	2.8
100.78493	3.1
104.06236	4.2
105.04523	29.1
116.05822	7.6
117.07039	7.8
118.06556	100.0
118.07349	10.0
118.08653	4.9
119.05009	3.4
119.06073	4.2
119.08598	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	115.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35371	0.6
55.05497	1.3
56.27198	0.6
57.07042	0.7
59.04995	1.4
63.02371	0.8
65.03946	3.1
69.03412	0.9
70.71102	1.8
76.65230	0.6
87.04424	1.4
89.03915	11.6
115.05456	100.0
116.05785	1.0
132.09264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0324
Annotation	trans-3-Methylthioacrylamide
Peak:m/z	Relative Intensity
53.03951	1.3
53.56446	0.4
53.76357	0.4
54.03479	2.2
55.05505	1.1
58.06573	0.5
61.01157	1.2
70.02954	100.0
71.40474	0.5
72.08157	2.4
73.01150	3.7
74.00670	4.5
75.02693	3.7
76.93359	4.2
78.21201	0.5
91.05492	2.5
94.94429	1.1
95.04991	1.3
100.02237	0.7
104.56065	0.5
105.04538	0.6
113.62836	0.5
115.23302	0.6
118.03236	11.0
118.06542	4.2
118.08714	0.6
125.74513	0.4
127.91724	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	6.1
53.03951	72.1
55.01880	3.7
57.13604	2.2
58.06596	3.2
65.03935	5.8
71.60802	3.0
71.61206	2.7
72.08161	17.4
74.18216	2.2
74.70420	2.0
76.93366	13.7
77.03919	9.6
81.03433	5.7
91.04951	4.7
91.05486	65.7
94.94389	2.8
95.04971	71.4
105.04526	32.3
113.71814	2.4
116.05840	2.9
117.07018	6.4
118.06551	100.0
118.08670	6.5
119.04958	9.7
119.08572	17.6
126.58808	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	114.1029
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03456	0.5
55.01867	0.5
55.02989	0.3
55.05513	8.4
56.05039	1.9
58.06587	0.5
59.05001	0.4
59.61518	0.3
60.05650	6.1
68.05021	1.5
69.03431	0.8
69.04560	0.4
69.05364	0.4
69.07072	1.9
69.36862	3.2
70.06599	5.0
71.06111	0.6
71.06933	0.5
72.04523	0.8
72.08159	37.0
72.93795	0.5
73.08510	0.4
79.05482	1.6
80.04994	0.5
83.19525	0.3
84.06429	1.0
86.06067	1.3
86.07183	0.7
86.09702	0.5
96.06418	0.4
96.08128	2.3
97.06545	0.6
97.07656	1.6
98.21499	0.7
112.33534	0.4
114.02723	0.6
114.05533	1.1
114.06670	2.6
114.09177	11.5
114.10295	100.0
115.03931	0.6
115.08675	0.6
115.10626	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0601
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
53.00311	1.7
53.03960	0.9
55.01871	8.4
55.05521	1.5
56.96571	7.7
57.03439	7.6
57.07082	2.5
63.30984	0.4
65.03946	14.6
67.01871	8.8
67.05507	100.0
68.05044	2.5
68.05840	0.7
68.99796	0.5
69.03441	4.1
69.07083	0.7
69.96834	1.0
69.97238	1.0
70.02951	3.6
70.03761	0.9
70.06610	1.2
71.01340	1.1
71.04994	14.1
71.06915	0.9
71.94106	3.7
71.95272	3.3
72.08141	0.5
72.93793	21.5
79.05510	0.8
81.03394	0.6
83.01376	0.5
83.04993	1.5
85.02901	4.5
85.06555	3.9
85.08477	1.1
86.06059	0.7
90.94837	6.5
95.01333	14.7
95.04971	29.6
95.08618	1.5
95.76708	0.5
96.00867	2.3
96.01559	0.5
96.05307	0.5
96.08151	1.7
100.02487	1.2
101.99625	0.4
108.95891	1.4
110.01309	2.0
113.00028	26.3
113.02372	95.5
113.03481	4.6
113.06007	90.4
113.07959	2.0
113.10809	0.8
113.11582	1.2
113.96430	1.8
114.02714	1.0
114.05563	0.9
114.06316	0.7
114.09189	4.0
119.01799	0.7
131.97455	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.06
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
51.05103	1.3
51.14970	1.5
55.01870	2.0
55.05505	6.7
57.03437	2.2
57.07078	76.6
65.03947	9.4
67.05508	100.0
69.03394	1.5
69.07086	3.0
70.85023	4.3
71.04996	20.0
71.94111	2.4
72.93784	10.3
85.06550	26.4
87.59745	1.7
93.35287	1.6
95.01331	6.5
95.04972	33.8
95.05553	2.8
95.08632	1.7
113.00026	6.9
113.02377	39.0
113.03536	2.4
113.05998	20.3
114.09200	1.8
115.92919	1.5
116.34577	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	2,3-DIMETHYL-1,4-HEXADIENE
Peak:m/z	Relative Intensity
53.00308	1.3
53.03944	2.1
55.01873	2.6
55.05514	46.6
57.07078	2.1
65.03950	3.3
67.05507	3.4
68.04696	0.6
69.03433	3.9
69.07071	100.0
69.35355	1.1
69.35757	4.8
78.99947	0.7
82.05375	0.6
83.04988	10.1
83.06100	1.2
83.08630	1.2
84.08197	0.6
88.00496	6.1
89.00252	0.9
91.05495	1.7
93.03418	1.0
93.07066	1.8
97.01003	4.3
100.51054	0.7
111.04446	16.7
111.05269	0.8
111.05614	1.9
111.06391	1.3
111.08089	4.3
111.09216	0.7
111.11759	0.9
112.03958	0.9
112.07635	1.4
115.96481	3.1
116.97240	0.8
123.94621	0.6
123.97347	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
53.03960	4.0
55.01877	5.4
55.05512	55.2
55.30362	0.7
56.96574	1.7
57.07072	1.1
63.69189	0.7
65.03950	5.0
67.05492	4.7
69.03426	7.2
69.07069	100.0
69.61612	4.4
70.07394	1.0
83.04530	1.5
83.04984	14.6
83.05460	1.5
83.06091	1.3
83.08591	1.2
84.08158	1.6
85.11119	0.8
87.00479	1.0
87.50584	0.9
88.00484	16.1
89.00271	0.9
91.05482	2.1
93.03419	1.4
93.07038	3.5
97.01004	7.6
99.51279	3.2
105.53663	0.9
111.04448	26.3
111.05603	3.5
111.06336	1.7
111.08071	9.3
112.03998	1.2
112.07609	3.1
115.96452	6.5
116.97225	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	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.1
53.03949	4.7
55.01880	8.6
55.05513	62.6
56.05038	0.9
56.96562	2.0
57.07069	1.8
65.03951	8.4
67.05522	5.2
68.05032	1.7
69.03431	10.5
69.07070	100.0
70.06565	1.2
70.11759	1.6
70.12160	2.8
70.54025	0.8
70.94264	1.4
71.01375	1.0
76.51573	1.4
81.03394	1.0
82.05348	1.0
83.04987	27.9
83.06100	2.6
83.08619	2.2
84.04519	0.8
84.08126	1.3
85.02901	1.4
88.00486	22.5
91.05491	2.9
93.03410	2.8
93.07056	4.0
95.04953	1.3
97.01012	11.6
99.51272	3.6
108.89790	0.8
111.03683	1.8
111.04449	35.9
111.05603	3.4
111.06400	4.4
111.08080	12.4
111.09225	2.1
112.03974	1.8
112.07578	4.2
115.96459	9.2
116.97227	2.6
119.35053	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	111.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81170	0.7
53.03954	4.2
55.01868	6.2
55.05513	58.8
56.96565	1.3
57.07077	1.1
59.46159	0.7
62.26168	0.7
62.58999	0.7
65.03679	0.6
65.03948	5.7
67.05499	4.4
67.25249	0.9
68.84554	0.7
68.99790	1.1
69.03432	6.3
69.07069	100.0
69.61771	5.7
70.06570	1.1
70.94267	0.9
76.51571	1.4
82.05315	0.9
83.04982	19.3
83.06088	1.9
83.08613	1.1
84.08163	1.1
87.50635	0.9
87.75487	0.8
88.00490	14.3
89.00249	1.2
91.05498	2.7
93.03412	2.4
93.07042	4.9
94.02959	0.9
95.04942	0.7
97.01012	11.8
99.51274	4.0
111.04441	31.2
111.05601	3.0
111.06295	1.9
111.08074	11.4
111.09232	1.3
112.03989	1.2
112.07599	3.1
112.08334	1.1
115.96434	6.8
116.97230	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	110.0967
Annotation	Cyclohexyl isocyanide
Peak:m/z	Relative Intensity
51.62489	0.3
53.03954	1.9
54.03468	0.5
54.04276	1.7
55.01866	1.4
55.05516	4.2
56.05034	1.8
56.96567	9.7
57.03421	1.1
61.02915	0.7
65.03946	3.6
65.08458	0.3
67.04237	1.7
67.05497	3.4
68.00245	0.9
68.05030	6.9
68.05830	0.5
68.17130	0.3
68.45314	0.9
68.95287	5.9
69.03426	1.5
69.05809	0.5
69.07066	1.3
71.60667	0.5
71.95265	0.7
72.08154	0.4
73.43710	0.3
73.51077	0.3
75.01053	0.8
77.00789	0.9
79.05505	0.9
79.53847	0.3
80.05026	3.9
81.03408	1.2
81.04523	0.8
81.05782	0.9
81.07047	1.3
82.01805	0.4
82.03754	3.2
82.04190	0.6
82.06580	12.8
82.07339	0.7
83.00784	0.7
83.04984	3.0
83.06104	5.0
84.01569	0.4
85.02890	0.7
89.00779	0.5
90.01574	0.6
91.05481	1.6
92.05020	1.8
93.04529	3.2
93.05766	0.4
93.07048	0.8
94.06572	1.0
95.04985	0.5
95.07372	1.9
96.01546	1.0
98.97589	3.2
100.02480	1.2
105.02065	0.5
107.47646	0.4
108.08125	3.5
110.03108	0.7
110.03719	1.1
110.06047	40.0
110.07168	4.7
110.09681	100.0
110.97560	1.1
111.04441	2.7
111.05614	0.8
111.06358	0.7
111.09235	0.9
111.09984	0.7
112.03888	0.4
116.48190	0.6
116.98622	1.5
128.98627	0.9
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
53.03946	5.9
55.05513	11.6
60.32049	0.5
65.03941	4.9
67.05504	100.0
69.07071	6.3
69.40786	4.7
71.16344	0.6
79.05493	12.5
80.06280	1.5
81.03421	6.9
81.07056	37.7
91.05482	1.6
94.04178	1.3
94.07813	1.4
94.55557	0.6
98.20684	1.2
105.06987	0.7
107.04913	0.7
107.08580	3.8
109.02887	1.9
109.06519	5.9
109.10155	44.0
115.83920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
53.03957	0.8
55.05511	11.1
65.03951	3.9
67.05506	100.0
69.07075	6.3
69.99767	2.4
79.05491	10.9
80.06287	1.2
81.07059	29.3
82.00217	0.7
90.98615	0.7
91.05489	1.3
94.04213	0.7
94.07832	1.5
101.06010	0.6
107.08591	4.3
109.06528	2.2
109.10160	39.9
111.36903	0.6
123.44617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1016
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
50.01580	1.0
51.02378	2.1
53.00318	2.1
53.03951	68.0
55.01867	3.2
55.05508	6.1
56.05021	0.9
56.96572	8.3
60.95878	0.8
63.02232	0.8
65.03947	4.2
67.04267	1.1
67.05510	56.6
68.05029	3.0
68.95281	2.5
69.07070	4.2
71.60101	0.9
71.60468	1.1
77.00777	1.2
78.52953	1.2
79.05505	8.4
80.05006	3.3
80.06296	0.9
81.03422	100.0
81.05798	1.0
81.07063	20.6
82.03755	1.2
82.06566	3.1
83.06116	1.9
84.04601	0.9
84.08145	1.2
91.05471	2.9
92.05014	1.4
93.04561	0.8
94.04192	2.1
94.06573	4.0
94.07787	1.1
97.02362	1.1
98.97580	2.8
100.02465	2.3
107.08611	1.7
108.08165	4.8
109.02126	1.2
109.02880	23.9
109.06544	6.4
109.07650	17.3
109.08453	8.5
109.10159	23.4
110.03686	0.9
110.06053	15.2
110.07182	3.1
110.08980	1.3
110.09691	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	109.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.7
53.03723	0.8
53.03953	7.9
55.05513	11.5
65.03941	5.7
67.05508	100.0
68.05864	1.2
69.07075	6.4
70.46134	1.5
76.16325	0.6
79.05499	12.8
80.06278	1.8
81.03423	14.9
81.07061	32.6
91.05501	1.7
94.04188	1.5
94.07840	1.4
107.04966	0.7
107.08578	4.5
109.02887	3.4
109.06536	7.2
109.10162	43.2
110.06061	0.6
115.06387	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.086
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
53.03945	2.9
53.84187	0.3
55.01865	1.2
65.03941	14.1
67.05498	3.2
71.34463	0.7
77.03941	0.9
79.01853	0.8
79.05495	21.6
79.37305	0.4
91.05480	100.0
92.06288	2.7
95.04975	3.6
100.24262	0.4
101.61562	0.4
103.05473	0.7
105.04522	1.4
105.07032	29.3
106.04184	0.9
106.07346	0.5
107.01345	0.6
107.04276	0.7
107.04958	10.8
107.08594	28.5
109.06522	11.7
119.06070	7.6
124.05194	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	108.0811
Annotation	N-Methylaniline
Peak:m/z	Relative Intensity
50.67098	0.3
52.79556	0.4
53.00299	1.4
53.03733	0.5
53.03952	6.2
55.01873	0.6
56.96288	0.5
56.96569	9.9
60.99599	0.5
65.03942	2.5
65.42995	0.4
67.05505	5.7
67.45298	0.4
71.01347	0.8
71.60448	0.5
75.01013	0.4
79.00639	0.5
79.05495	2.0
80.05025	10.3
80.05796	0.8
81.02966	0.6
81.03418	8.5
81.07051	2.7
82.00011	0.4
82.01836	0.4
83.00810	0.8
84.01193	4.9
84.08122	0.6
85.02908	0.6
86.51784	5.0
87.01129	0.5
91.02354	0.5
91.05487	3.0
92.04992	0.6
92.05834	0.9
93.05792	8.8
94.06573	0.6
95.52299	5.4
96.04496	0.9
97.02351	0.4
98.97588	0.6
100.02473	1.7
101.02589	0.5
102.02243	12.1
102.02921	0.9
104.52831	0.4
105.02173	2.0
106.06546	0.5
106.07384	0.4
107.00167	0.4
107.07333	1.3
108.04485	4.6
108.08120	100.0
109.02888	2.2
109.06548	0.6
109.07718	0.7
109.08456	1.2
109.10184	0.9
109.16242	0.4
110.06042	2.4
113.02370	1.1
118.03502	0.6
120.03277	5.3
123.03213	0.8
128.03775	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	0.9
51.34356	0.6
53.03947	5.3
55.01876	1.5
65.03937	14.3
67.05503	3.5
70.65723	1.4
77.03924	1.6
79.05494	27.5
80.05009	0.9
81.03389	0.7
91.05481	100.0
92.06264	2.9
95.04978	7.4
102.86214	0.6
102.98028	0.7
103.05460	0.7
105.04527	2.1
105.07031	29.0
106.04214	0.9
106.06556	1.5
107.04958	21.4
107.08593	34.3
108.08163	0.9
109.06517	10.4
111.45133	0.6
119.06074	7.9
124.05246	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01601	0.9
51.02389	4.3
51.81244	0.7
53.00308	1.3
53.02404	0.8
53.03951	5.9
54.64113	0.8
55.01868	7.6
60.58329	0.8
61.04116	0.8
65.03944	14.6
67.05511	4.8
69.93065	0.8
70.84901	2.5
74.74962	0.8
79.01855	5.0
79.05494	38.9
91.05481	100.0
92.05781	0.9
92.06293	2.3
95.04971	7.4
105.04534	2.1
105.07033	27.6
106.06586	1.2
107.01307	4.9
107.04958	21.3
107.08595	28.7
109.06528	11.3
111.02654	0.8
119.06064	7.3
122.70602	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02385	0.9
53.03944	2.3
63.70729	0.5
65.03603	0.8
65.03941	13.5
67.05500	3.7
70.90957	1.6
77.03899	1.2
79.05497	26.2
91.05482	100.0
92.05763	0.8
92.06288	3.0
95.04964	2.9
96.92847	0.6
103.05432	0.6
105.04506	0.7
105.07033	29.2
106.04173	0.9
106.06623	0.5
106.46409	0.6
107.04955	7.5
107.08595	28.2
109.06526	10.0
113.92343	0.5
116.68314	0.6
119.06067	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
51.02383	1.3
52.94360	0.6
53.03951	9.0
55.01866	1.7
57.85455	0.9
65.03943	16.2
67.00765	0.8
67.05506	4.0
70.51658	0.8
71.60682	0.8
77.03922	1.9
79.05492	42.3
79.07510	0.6
80.05843	0.9
81.03424	1.1
91.05482	100.0
92.06261	2.8
95.04971	12.3
103.05472	0.8
105.04513	4.8
105.07030	27.6
107.04955	46.5
107.08595	29.4
108.05280	0.8
109.06525	11.1
119.06058	5.7
124.05178	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02389	1.7
53.03949	14.0
55.01884	1.0
59.85796	1.1
71.94378	1.0
77.03931	3.6
79.05496	48.3
81.03436	1.3
95.04967	15.7
98.21486	3.5
98.82594	1.1
103.05473	37.6
103.97925	0.9
105.04512	5.5
105.07033	100.0
106.07382	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02369	1.6
52.86622	0.8
53.03705	1.1
53.03948	14.9
54.39764	0.8
60.98846	0.9
61.77401	0.9
65.03941	1.2
77.03910	4.2
79.05498	46.9
95.04971	15.7
103.05475	32.9
103.05997	0.5
104.90862	0.9
105.03398	2.2
105.04524	7.8
105.07034	100.0
106.07375	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0497
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
50.01587	0.6
51.02378	1.4
53.00300	0.4
53.03950	10.5
55.01879	2.1
56.96568	6.7
60.95855	3.7
62.99071	0.6
64.95543	0.4
65.03954	1.9
66.92093	0.2
67.05507	0.8
69.03421	2.6
70.45717	0.5
70.46104	0.5
71.01348	0.4
74.97620	0.3
77.03929	2.1
78.04722	0.3
79.01844	0.4
79.05498	25.0
79.78574	0.3
80.05022	1.0
81.03432	1.8
82.00032	0.4
82.01447	1.2
83.00790	0.4
83.01557	0.4
83.52339	0.3
84.08165	1.3
85.51937	1.3
91.05489	10.8
92.06284	0.4
93.05788	1.2
94.06551	0.5
94.52449	1.2
95.04970	13.0
95.54131	0.3
100.02486	3.2
101.02561	1.1
102.02254	1.1
103.02431	0.3
104.04875	0.4
104.52769	1.1
105.04517	4.9
105.07043	3.3
106.06555	0.6
106.55154	0.5
106.96622	0.4
107.04961	100.0
107.08595	3.4
108.04538	0.5
108.05309	0.9
108.08124	5.0
109.06516	0.8
111.06817	0.4
112.07614	4.2
113.07953	0.6
113.53297	0.6
118.03528	1.2
119.03693	0.2
119.06061	0.6
120.03244	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77522	0.2
54.60847	0.2
55.71886	0.1
58.06602	4.7
59.07383	1.4
60.08167	51.9
61.08501	0.2
69.03432	0.7
69.81443	0.4
69.81843	0.6
86.06062	0.2
87.04462	1.1
104.10748	100.0
105.11076	0.3
111.55416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	8.8
53.03947	67.8
56.15357	3.1
71.61497	3.3
77.03930	12.7
79.05502	53.6
81.03422	6.1
95.04971	65.2
103.05476	35.3
105.03397	29.7
105.04501	31.1
105.07034	100.0
124.26287	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	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02371	2.7
51.08350	0.8
53.03738	1.0
53.03952	13.3
55.01862	1.3
56.64351	0.9
65.03918	1.1
66.68645	0.8
69.70453	5.5
77.03926	4.0
79.05492	53.5
81.03421	2.4
93.75584	1.0
95.04966	16.6
98.20768	1.0
103.05470	33.8
105.03409	1.6
105.04538	8.9
105.07031	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.5316
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00667	1.8
76.02229	47.3
76.04007	4.2
79.05496	15.2
79.97544	0.7
80.05003	2.4
81.03419	25.8
81.07056	19.1
82.06593	0.9
83.04964	2.7
83.06106	2.0
83.08620	7.1
84.04504	15.4
85.02905	1.6
85.04033	5.3
85.06576	0.9
86.00656	1.0
86.99046	2.2
88.02227	0.9
89.99109	0.7
91.05479	16.1
92.01684	1.9
93.07051	15.1
95.04973	10.0
95.08606	15.3
97.01115	2.2
97.02868	1.9
97.06541	1.4
97.10192	1.1
99.05568	1.2
103.67136	0.7
103.90412	0.7
105.04539	1.0
105.07035	9.9
107.04945	3.1
107.08590	8.2
109.02907	0.7
109.06537	2.0
109.10187	4.8
110.06077	0.8
111.02620	1.0
111.08090	1.6
112.03970	1.9
113.03465	1.5
114.03749	0.7
115.05439	1.5
116.01675	15.2
117.07004	3.4
119.08585	7.0
121.06489	0.8
121.10167	7.7
123.11703	1.6
129.07094	4.0
130.05014	14.2
131.04509	3.9
131.08568	6.9
133.06523	1.0
133.10152	5.1
135.08086	1.0
135.11708	4.4
142.03215	8.3
142.07776	1.3
144.01176	8.3
145.06120	3.3
145.10094	3.9
147.11696	4.6
149.09586	2.6
149.13246	2.6
157.10127	3.5
159.11700	2.8
160.00621	0.9
161.13271	1.5
162.02203	27.0
163.11162	0.9
165.12791	1.1
170.02722	2.6
171.11702	0.9
173.13260	2.2
175.11186	3.1
175.14874	1.3
175.30606	0.8
177.03285	14.0
179.04857	48.5
181.06067	1.3
184.77843	0.8
185.03821	3.1
187.05473	1.1
187.14775	1.0
193.12254	8.7
201.16571	0.9
211.13329	1.5
215.04709	1.8
231.04359	2.1
233.05908	13.3
243.21115	2.4
245.05905	2.6
250.12589	2.4
261.22131	7.6
267.15927	29.3
268.13571	1.4
279.23471	1.2
288.06406	1.3
291.06592	1.2
294.16577	1.1
301.25201	0.9
306.07431	2.2
308.09113	100.0
309.09369	1.3
317.24811	1.1
333.23849	0.9
335.25778	28.2
470.14230	0.8
527.29865	1.4
527.37366	14.0
545.38190	7.4
620.39264	1.5
656.41339	1.7
705.41046	3.1
709.57257	0.9
723.41541	2.4
759.42633	1.1
834.44775	3.2
844.21570	0.9
852.46747	6.9
870.45892	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	3.1
53.03950	21.9
55.01876	0.9
56.96562	1.7
60.95845	0.8
66.91881	0.6
67.39914	0.5
70.77074	0.7
70.77418	0.9
76.93484	0.6
77.03931	5.0
81.03412	1.7
89.07352	1.0
89.97095	0.5
95.04972	21.8
99.28172	0.6
102.04679	3.7
103.05470	100.0
104.05830	0.7
105.04519	8.8
107.65292	0.5
112.72676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1032.528
Annotation	Unknow
Peak:m/z	Relative Intensity
74.00661	0.7
76.02226	49.6
76.03976	2.5
79.05496	13.8
80.05016	1.4
81.03416	27.1
81.07057	16.2
81.07423	0.3
82.37337	0.5
83.04979	1.5
83.06102	1.2
83.08620	6.6
84.04021	1.1
84.04501	13.4
84.05014	0.7
85.02870	1.3
85.04021	1.5
85.06531	0.7
86.99038	2.0
88.02233	0.9
88.48898	0.4
90.34220	0.6
91.05002	0.3
91.05476	13.2
93.07043	13.5
95.04967	34.8
95.08603	10.1
97.01105	2.8
97.02896	1.5
97.06523	1.4
97.10178	1.7
99.08086	0.6
100.02200	0.6
105.04506	0.7
105.07038	8.3
107.04951	2.2
107.08595	8.3
109.02911	0.6
109.06531	1.4
109.10153	4.2
111.08069	1.8
112.02213	0.6
112.07605	67.3
113.00592	1.0
113.06005	16.3
114.03762	1.2
116.00867	0.9
116.01682	16.7
117.07001	2.4
119.08578	6.9
121.06467	0.9
121.10144	6.1
123.04402	0.7
123.08070	1.2
123.11707	1.7
125.09618	1.2
126.33805	0.5
129.07069	3.0
130.05003	9.7
131.04512	1.2
131.08546	5.0
133.06503	0.8
133.10118	4.1
135.11665	3.7
137.13254	0.6
140.01678	0.7
141.04816	0.8
142.03210	7.0
142.07762	1.2
144.01134	8.2
145.06097	1.8
145.10086	2.9
147.08069	0.9
147.11688	3.6
149.09618	2.2
149.13280	1.7
155.07043	2.6
157.10118	3.6
159.11752	1.2
161.13268	1.6
162.02202	29.2
163.11172	0.8
165.12796	1.3
170.02715	2.6
173.08095	0.9
173.13254	1.4
175.11182	2.4
177.03308	3.6
179.04851	48.7
185.03821	1.5
187.05351	2.1
188.03691	0.5
193.12224	7.5
198.11751	0.5
215.04868	1.7
216.03276	0.8
224.12819	12.1
227.12671	0.8
231.04375	1.2
233.03740	1.0
233.05917	13.8
242.13879	0.7
243.21068	1.4
245.05894	2.9
249.14809	0.5
261.22165	4.6
266.12064	1.3
267.12842	0.9
267.15906	25.3
268.11783	0.6
268.16409	0.6
284.15002	13.2
288.06546	0.6
290.07956	1.4
291.06454	1.8
301.25293	1.0
304.15381	0.7
308.09097	100.0
309.09460	1.2
317.24881	0.7
335.25793	19.9
336.18030	1.9
336.26230	1.1
435.32635	0.9
453.33475	1.1
456.22165	1.2
470.14676	0.8
527.37360	9.8
545.38452	4.7
620.38684	0.9
656.41431	0.9
705.40472	1.5
721.40613	1.5
722.41577	2.7
723.41260	6.2
759.41809	0.9
794.42157	0.7
795.43146	1.0
834.44348	1.4
852.46527	3.4
870.46594	3.9
1003.05005	0.7
1014.50555	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99949	0.8
51.02381	5.0
53.03949	32.3
55.01867	1.6
56.96574	1.9
57.03432	1.0
60.95850	2.1
62.94178	0.7
65.22787	0.8
70.78364	1.8
77.03937	8.0
81.03414	2.2
85.02890	2.1
91.43371	0.8
93.57308	0.7
95.04969	29.0
101.64224	1.0
102.04675	6.5
102.96912	1.1
103.05472	100.0
104.05798	1.0
105.04512	13.5
107.16106	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	103.0049
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.1
53.03947	0.8
55.05507	0.4
56.96567	100.0
57.03430	1.7
57.05365	0.4
57.07050	0.5
59.05000	0.4
60.08161	1.2
60.95856	4.6
61.02628	0.5
61.02926	6.2
67.05498	0.6
68.05042	0.4
69.03419	0.4
70.98122	0.9
71.01357	12.1
71.60959	0.4
71.95266	2.8
72.99470	2.3
74.97608	5.5
75.01051	0.5
75.04501	0.3
75.94539	1.1
77.00782	0.4
81.03425	1.0
82.00001	20.8
82.50191	0.6
84.96030	0.6
85.02907	7.5
85.04844	0.3
86.03244	0.6
86.06060	0.4
86.97602	2.2
87.04469	0.6
88.51551	0.3
89.00771	1.0
89.07349	0.5
89.52372	0.5
91.00522	51.2
91.50690	1.4
92.00710	0.3
92.98656	0.5
93.50774	0.8
95.04948	0.9
95.22463	0.3
97.99171	0.7
98.01298	0.9
98.52837	0.4
100.01038	12.4
100.51183	0.4
100.98398	0.2
100.99089	0.7
102.51314	2.6
102.95172	0.3
102.96871	1.8
103.00581	0.4
103.02443	0.3
103.03959	2.7
103.05473	2.1
104.10725	2.2
105.00227	0.5
109.00488	0.6
109.02888	0.9
111.51831	0.4
112.01030	0.7
112.95493	2.3
113.02368	6.6
114.02756	0.4
119.00168	0.4
120.97917	1.8
121.01624	0.9
122.09644	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	102.0097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.6
55.01878	0.9
55.05502	1.3
56.05041	17.4
56.05838	1.3
56.96569	61.0
57.03430	2.4
57.07070	1.1
58.06596	2.8
58.50558	4.8
58.99863	0.9
59.52197	2.0
59.96176	2.3
60.04520	3.2
60.95156	13.1
60.95857	61.5
60.99623	6.4
65.52187	1.3
67.05490	1.0
67.51069	17.3
68.02654	1.3
68.29951	0.9
69.01923	1.4
70.01346	4.5
71.02995	2.7
71.59271	1.5
71.95264	0.8
72.08195	0.9
74.02451	5.0
74.06081	9.6
74.09713	2.5
74.46381	0.9
76.51591	7.0
77.00909	1.9
78.52965	2.8
78.96169	0.9
79.00671	5.3
79.01862	21.1
79.02713	1.5
79.52836	0.9
81.03427	2.3
82.01453	3.5
83.04980	1.1
83.06099	1.1
84.01197	22.1
84.04515	4.5
84.08138	3.3
85.02910	14.4
85.53759	1.1
88.02357	9.0
88.51662	1.2
90.52624	1.2
97.52075	0.9
100.02479	13.4
100.05074	1.1
101.00900	2.0
101.02600	1.2
102.00985	11.3
102.02242	100.0
102.02821	3.6
102.05549	5.8
102.09188	13.3
102.12823	9.3
102.96857	1.0
103.00636	1.5
103.02426	1.0
106.06207	0.9
115.01178	1.6
118.03500	5.5
119.01929	7.0
119.03639	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20845	1.9
56.96560	3.8
58.01963	2.0
66.53846	1.9
68.02653	2.3
70.79485	2.0
70.79816	4.6
76.96239	2.0
82.99826	4.5
83.01491	13.9
83.04984	2.2
83.71581	2.0
96.65590	2.1
100.02502	3.1
100.98022	2.3
101.00881	50.6
101.02557	28.7
102.02235	3.3
118.90195	2.0
119.01928	100.0
119.03645	5.9
END